A0A5K4FBH8_SCHMA Loading...

UPAR/Ly6 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FBH8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 92 aa.

						>A0A5K4FBH8_SCHMA|A0A5K4FBH8
MNPLNNSISCYTCLDCENITIYVIIKGVGRCITTHSSGIISKFCEPTYNQLDREYTVDRCSTNRCNRMTKLSIHRHVIIVLFVCIGISKYIL
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.7	Very low	59.9	Low	244 Å²	244	90.3 Å²	90.3	100%	1.202	50%	0.496	S	S	*	.				0	127.8	0	-78.2	165.3	140.4	0	0	107.7
2	N	35.8	Very low	61.6	Low	128 Å²	128	84.9 Å²	84.9	68%	0.684	47%	0.468	S	S	*	.			trans	-35.9	136.8	-157.2	-68.9	14.2	0	0	0	117.7	L4	N2-L4 HydrophobicContact CB-CD1 3.68Å; N2-L4 PolarHBondContact O-N 2.94Å
3	P	45.6	Very low	62.9	Low	137 Å²	137	79.1 Å²	79.1	89%	0.89	44%	0.437	S	S	*	.			trans	-71	80	150.5	32.1	-26.4	0	0	0	106.5	N5	P3-N5 PolarHBondContact O-N 2.83Å
4	L	46.4	Very low	63.9	Low	123 Å²	123	83.8 Å²	83.8	64%	0.644	46%	0.46	S	S	*	.			trans	-58.8	105.4	174.1	-129.7	88.4	0	0	0	106.4	N2 N6	N2-L4 HydrophobicContact CB-CD1 3.68Å; N2-L4 PolarHBondContact O-N 2.94Å; L4-N6 WeakPolarHBondContact O-CA 3.47Å; L4-N6 PolarHBondContact O-N 2.65Å; L4-N6 PolarHBondContact O-OD1 2.85Å
5	N	54.7	Low	64.8	Low	133 Å²	133	82.9 Å²	82.9	71%	0.711	45%	0.454	S	S	*	.			trans	17.2	55.6	145.7	-130.4	16	0	0	0	116.4	P3 S7	P3-N5 PolarHBondContact O-N 2.83Å; N5-S7 VanDerWaalsContact C-N 3.29Å; N5-S7 PolarHBondContact O-N 3.17Å
6	N	59.2	Low	65.2	Low	125 Å²	125	79.7 Å²	79.7	67%	0.668	44%	0.439	S	S	*	.			trans	-77.5	87	-175.6	-92.6	-2.6	0	0	0	107.3	L4 I8	L4-N6 WeakPolarHBondContact O-CA 3.47Å; L4-N6 PolarHBondContact O-N 2.65Å; L4-N6 PolarHBondContact O-OD1 2.85Å; N6-I8 PolarHBondContact O-N 2.94Å
7	S	69.3	Low	65.4	Low	56 Å²	56	83.8 Å²	83.8	39%	0.392	46%	0.455	S	S	.	.			trans	-60.9	127.1	169.6	47.9	0	0	0	0	109.1	N5 I25 N63	N5-S7 VanDerWaalsContact C-N 3.29Å; N5-S7 PolarHBondContact O-N 3.17Å; S7-I25 CarbonylContact C-O 3.58Å; S7-I25 VanDerWaalsContact CA-O 3.32Å; S7-I25 WeakPolarHBondContact CA-O 3.24Å; S7-N63 PolarHBondContact O-OD1 2.9Å
8	I	74.6	Confident	65	Low	15 Å²	15	87.4 Å²	87.4	8%	0.077	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	125	176.6	-67.2	168.7	0	0	0	107.5	N6 C10 I25 G29 S61 N63	N6-I8 PolarHBondContact O-N 2.94Å; I8-C10 VanDerWaalsContact CG2-SG 3.6Å; I8-I25 PolarHBondContact N-O 2.77Å; I8-I25 PolarHBondContact O-N 2.92Å; I8-G29 WeakPolarHBondContact CD1-O 3.47Å; I8-S61 WeakPolarHBondContact CD1-O 3.07Å; I8-N63 WeakPolarHBondContact CA-OD1 3.17Å
9	S	79.6	Confident	64.7	Low	20 Å²	20	89.1 Å²	89.1	14%	0.14	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	120.7	171.1	-53.8	0	0	0	0	108.5	N63 R64	S9-N63 PolarHBondContact N-OD1 2.82Å; S9-R64 WeakPolarHBondContact O-CA 3.32Å; S9-R64 PolarHBondContact O-N 2.01Å
10	C	79.3	Confident	64.7	Low	1 Å²	1	88.8 Å²	88.8	1%	0.007	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	160.6	170.3	-38.1	0	0	0	0	111.9	I8 V23 C31 C44	I8-C10 VanDerWaalsContact CG2-SG 3.6Å; C10-V23 PolarHBondContact N-O 3.23Å; C10-V23 PolarHBondContact O-N 2.71Å; C10-C31 HydrophobicContact CB-CB 3.46Å; C10-C31 VanDerWaalsContact CB-CB 3.46Å; C10-C31 WeakPolarHBondContact CB-SG 3.22Å; C10-C31 WeakPolarHBondContact SG-CA 2.98Å; C10-C31 WeakPolarHBondContact SG-CB 3.45Å; C10-C31 PolarHBondContact SG-N 3.32Å; C10-C31 CovalentContact SG-SG 2.02Å; C10-C31 PolarHBondContact SG-SG 3.34Å; C10-C44 HydrophobicContact CB-CB 4.3Å; C10-C44 WeakPolarHBondContact CB-SG 3.4Å
11	Y	79.7	Confident	64.9	Low	11 Å²	11	89.1 Å²	89.1	4%	0.043	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	134.9	166.1	-69.6	-80.6	0	0	0	109.6	T20 Y22 K42 R64 N66 R67	Y11-T20 HydrophobicContact CD1-CG2 3.17Å; Y11-T20 HydrophobicContact CE1-CG2 3.44Å; Y11-T20 VanDerWaalsContact CE1-CG2 3.44Å; Y11-T20 HydrophobicContact CG-CG2 4.34Å; Y11-Y22 AromaticContact CD1-CD1 3.95Å; Y11-Y22 HydrophobicContact CD1-CD1 3.95Å; Y11-Y22 AromaticContact CD1-CE1 3.61Å; Y11-Y22 HydrophobicContact CD1-CE1 3.61Å; Y11-Y22 AromaticContact CE1-CD1 3.8Å; Y11-Y22 HydrophobicContact CE1-CD1 3.8Å; Y11-Y22 AromaticContact CE1-CE1 2.99Å; Y11-Y22 HydrophobicContact CE1-CE1 2.99Å; Y11-Y22 HydrophobicContact CE1-CE2 4.23Å; Y11-Y22 AromaticContact CE1-CZ 3.24Å; Y11-Y22 VanDerWaalsContact CE1-OH 3.26Å; Y11-Y22 WeakPolarHBondContact CE1-OH 2.99Å; Y11-Y22 HydrophobicContact CE2-CE1 4.2Å; Y11-Y22 AromaticContact CZ-CE1 3.31Å; Y11-Y22 AromaticContact CZ-CZ 3.85Å; Y11-Y22 WeakPolarHBondContact OH-CE1 2.9Å; Y11-Y22 PolarHBondContact OH-OH 3.2Å; Y11-K42 VanDerWaalsContact O-CB 3.3Å; Y11-K42 WeakPolarHBondContact O-CB 3.45Å; Y11-R64 HydrophobicContact CD2-CB 4.37Å; Y11-R64 HydrophobicContact CE2-CB 3.7Å; Y11-R64 HydrophobicContact CE2-CG 3.99Å; Y11-N66 WeakPolarHBondContact CB-OD1 3.46Å; Y11-N66 WeakPolarHBondContact CD2-OD1 3.41Å; Y11-N66 PolarHBondContact N-OD1 3.02Å; Y11-N66 PolarHBondContact O-ND2 3.25Å; Y11-R67 HydrophobicContact CD2-CB 3.9Å; Y11-R67 HydrophobicContact CD2-CG 4.4Å; Y11-R67 HydrophobicContact CE2-CB 3.43Å; Y11-R67 VanDerWaalsContact CE2-CB 3.43Å; Y11-R67 HydrophobicContact CE2-CG 3.67Å
12	T	79.8	Confident	66.5	Low	26 Å²	26	83.2 Å²	83.2	16%	0.16	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	133.5	168.7	87.9	0	0	0	0	109.8	I21 V23 K42	T12-I21 PolarHBondContact N-O 2.79Å; T12-I21 WeakPolarHBondContact O-CA 2.94Å; T12-I21 WeakPolarHBondContact O-CB 3.33Å; T12-I21 PolarHBondContact O-N 3.27Å; T12-I21 VanDerWaalsContact O-O 3.07Å; T12-V23 HydrophobicContact CG2-CB 3.45Å; T12-V23 VanDerWaalsContact CG2-CB 3.45Å; T12-V23 HydrophobicContact CG2-CG2 3.33Å; T12-K42 WeakPolarHBondContact CA-O 3.26Å
13	C	78.7	Confident	68.2	Low	9 Å²	9	80 Å²	80	6%	0.061	43%	0.433	C	S	.	.	B	Isolated β-bridge	trans	-158.3	133.8	173.4	37	0	0	0	0	107.7	C16 I19 S41 K42	C13-C16 HydrophobicContact CB-CB 3.89Å; C13-C16 WeakPolarHBondContact CB-SG 2.93Å; C13-C16 WeakPolarHBondContact SG-CB 3.34Å; C13-C16 CovalentContact SG-SG 2.01Å; C13-C16 PolarHBondContact SG-SG 2.85Å; C13-I19 WeakPolarHBondContact CB-O 3.07Å; C13-S41 CarbonylContact O-C 3.59Å; C13-S41 VanDerWaalsContact O-CA 3.26Å; C13-S41 WeakPolarHBondContact O-CA 3.16Å; C13-K42 PolarHBondContact N-O 3.47Å; C13-K42 PolarHBondContact O-N 3.12Å
14	L	77.2	Confident	69.3	Low	145 Å²	145	78.7 Å²	78.7	76%	0.759	42%	0.417	S	S	*	.	S	Bend	trans	-92.2	123.1	160.5	-163.3	84.4	0	0	0	104.6	F43	L14-F43 HydrophobicContact CD1-CE1 4.39Å; L14-F43 HydrophobicContact CD1-CZ 4.1Å
15	D	77.5	Confident	70.3	Confident	71 Å²	71	74.2 Å²	74.2	38%	0.38	39%	0.393	S	S	.	.	S	Bend	trans	57	74.7	-175.3	-165.8	6.6	0	0	0	113.1	E17 I39 I40 S41	D15-E17 PolarHBondContact O-N 2.82Å; D15-I39 HydrophobicContact CB-CG2 3.77Å; D15-I40 WeakPolarHBondContact CA-O 3.13Å; D15-I40 PolarHBondContact N-O 3.35Å; D15-S41 PolarHBondContact N-OG 3.18Å
16	C	71.5	Confident	70.8	Confident	31 Å²	31	76.5 Å²	76.5	21%	0.209	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	23.2	-172.5	-55.4	0	0	0	0	114.9	C13 I40	C13-C16 HydrophobicContact CB-CB 3.89Å; C13-C16 WeakPolarHBondContact CB-SG 2.93Å; C13-C16 WeakPolarHBondContact SG-CB 3.34Å; C13-C16 CovalentContact SG-SG 2.01Å; C13-C16 PolarHBondContact SG-SG 2.85Å; C16-I40 HydrophobicContact CB-CB 4.27Å; C16-I40 HydrophobicContact CB-CG2 4.16Å; C16-I40 WeakPolarHBondContact CB-O 3.44Å; C16-I40 PolarHBondContact N-O 3.44Å; C16-I40 PolarHBondContact SG-O 3.22Å
17	E	67.8	Low	71.1	Confident	150 Å²	150	71.6 Å²	71.6	70%	0.701	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-35.5	175.6	-73.7	-162.7	157.9	0	0	112.6	D15	D15-E17 PolarHBondContact O-N 2.82Å
18	N	58.6	Low	70.9	Confident	149 Å²	149	74.4 Å²	74.4	80%	0.797	39%	0.39	S	S	*	.	S	Bend	trans	-143.2	-3.6	-172.2	-77.6	-51.9	0	0	0	117.6
19	I	60.3	Low	70.8	Confident	118 Å²	118	73.8 Å²	73.8	61%	0.605	39%	0.388	S	S	*	.			trans	-133.8	135.4	-178.5	-58.2	176.7	0	0	0	110.7	C13 I21	C13-I19 WeakPolarHBondContact CB-O 3.07Å; I19-I21 HydrophobicContact CG2-CG1 4.16Å
20	T	63.1	Low	70.6	Confident	83 Å²	83	76 Å²	76	51%	0.509	39%	0.393	S	S	.	.			trans	-126.7	105	179.6	-59.5	0	0	0	0	109.4	Y11 Y22	Y11-T20 HydrophobicContact CD1-CG2 3.17Å; Y11-T20 HydrophobicContact CE1-CG2 3.44Å; Y11-T20 VanDerWaalsContact CE1-CG2 3.44Å; Y11-T20 HydrophobicContact CG-CG2 4.34Å; T20-Y22 HydrophobicContact CG2-CE2 4.42Å
21	I	68.9	Low	70.6	Confident	97 Å²	97	76 Å²	76	50%	0.497	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	150.3	172.3	-59.7	175.3	0	0	0	108.3	T12 I19	T12-I21 PolarHBondContact N-O 2.79Å; T12-I21 WeakPolarHBondContact O-CA 2.94Å; T12-I21 WeakPolarHBondContact O-CB 3.33Å; T12-I21 PolarHBondContact O-N 3.27Å; T12-I21 VanDerWaalsContact O-O 3.07Å; I19-I21 HydrophobicContact CG2-CG1 4.16Å
22	Y	68.5	Low	70.7	Confident	120 Å²	120	75.5 Å²	75.5	47%	0.471	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	127.6	174	-63	-96	0	0	0	109.1	Y11 T20	Y11-Y22 AromaticContact CD1-CD1 3.95Å; Y11-Y22 HydrophobicContact CD1-CD1 3.95Å; Y11-Y22 AromaticContact CD1-CE1 3.61Å; Y11-Y22 HydrophobicContact CD1-CE1 3.61Å; Y11-Y22 AromaticContact CE1-CD1 3.8Å; Y11-Y22 HydrophobicContact CE1-CD1 3.8Å; Y11-Y22 AromaticContact CE1-CE1 2.99Å; Y11-Y22 HydrophobicContact CE1-CE1 2.99Å; Y11-Y22 HydrophobicContact CE1-CE2 4.23Å; Y11-Y22 AromaticContact CE1-CZ 3.24Å; Y11-Y22 VanDerWaalsContact CE1-OH 3.26Å; Y11-Y22 WeakPolarHBondContact CE1-OH 2.99Å; Y11-Y22 HydrophobicContact CE2-CE1 4.2Å; Y11-Y22 AromaticContact CZ-CE1 3.31Å; Y11-Y22 AromaticContact CZ-CZ 3.85Å; Y11-Y22 WeakPolarHBondContact OH-CE1 2.9Å; Y11-Y22 PolarHBondContact OH-OH 3.2Å; T20-Y22 HydrophobicContact CG2-CE2 4.42Å
23	V	71.9	Confident	70.7	Confident	60 Å²	60	75 Å²	75	36%	0.364	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	134.8	171.3	174.2	0	0	0	0	108.7	C10 T12 I25 C44	C10-V23 PolarHBondContact N-O 3.23Å; C10-V23 PolarHBondContact O-N 2.71Å; T12-V23 HydrophobicContact CG2-CB 3.45Å; T12-V23 VanDerWaalsContact CG2-CB 3.45Å; T12-V23 HydrophobicContact CG2-CG2 3.33Å; V23-I25 HydrophobicContact CG1-CG1 4.46Å; V23-C44 HydrophobicContact CG1-CB 4.45Å; V23-C44 PolarHBondContact O-SG 2.84Å; V23-C44 VanDerWaalsContact O-SG 3.33Å
24	I	69.1	Low	70.7	Confident	109 Å²	109	75.5 Å²	75.5	56%	0.559	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.1	114.5	178.4	-55	177.7	0	0	0	107.3
25	I	67.5	Low	70.6	Confident	30 Å²	30	73.1 Å²	73.1	15%	0.154	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	125	169.6	-60.4	-169.7	0	0	0	107.9	S7 I8 V23 C44 P46	S7-I25 CarbonylContact C-O 3.58Å; S7-I25 VanDerWaalsContact CA-O 3.32Å; S7-I25 WeakPolarHBondContact CA-O 3.24Å; I8-I25 PolarHBondContact N-O 2.77Å; I8-I25 PolarHBondContact O-N 2.92Å; V23-I25 HydrophobicContact CG1-CG1 4.46Å; I25-C44 HydrophobicContact CD1-CB 3.21Å; I25-C44 HydrophobicContact CG1-CB 3.59Å; I25-P46 HydrophobicContact CD1-CB 4.19Å; I25-P46 HydrophobicContact CG2-CB 4.32Å
26	K	64.5	Low	70.4	Confident	181 Å²	181	71.9 Å²	71.9	79%	0.787	37%	0.372	S	S	*	.	S	Bend	trans	-83.2	128	168.8	-68.5	-176	179.6	178.7	0	108.7
27	G	65.7	Low	70.5	Confident	21 Å²	21	76.1 Å²	76.1	22%	0.216	40%	0.402	C	S	.	.	S	Bend	trans	102.9	-164	-178.2	0	0	0	0	0	112.5	G29	G27-G29 PolarHBondContact O-N 2Å
28	V	65.3	Low	70.8	Confident	115 Å²	115	71.4 Å²	71.4	70%	0.697	40%	0.395	S	S	*	.	S	Bend	trans	-73.5	127.2	-179.7	-172.7	0	0	0	0	108.6	Y48	V28-Y48 HydrophobicContact CG1-CE2 4.49Å
29	G	71.8	Confident	71.5	Confident	3 Å²	3	67.9 Å²	67.9	3%	0.031	38%	0.375	C	S	.	.			trans	-155.2	178.9	176.4	0	0	0	0	0	111.2	I8 G27 E45	I8-G29 WeakPolarHBondContact CD1-O 3.47Å; G27-G29 PolarHBondContact O-N 2Å; G29-E45 CarbonylContact C-O 3.46Å; G29-E45 WeakPolarHBondContact CA-O 3.43Å
30	R	76.2	Confident	72.4	Confident	66 Å²	66	64.5 Å²	64.5	25%	0.249	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	149.7	174.5	-72.9	-170.1	152.1	-174.6	-0.6	111.3	C44 E45 Y48 C60	R30-C44 CarbonylContact O-C 3.6Å; R30-C44 WeakPolarHBondContact O-CA 2.89Å; R30-E45 PolarHBondContact N-O 3.04Å; R30-E45 PolarHBondContact O-N 3.46Å; R30-Y48 HydrophobicContact CG-CE2 4.18Å; R30-Y48 PolarHBondContact NE-OH 3.17Å; R30-Y48 PolarHBondContact NH2-OH 3.05Å; R30-C60 WeakPolarHBondContact CA-O 3.45Å
31	C	79.7	Confident	73.1	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	132.2	170.4	-49.5	0	0	0	0	109.2	C10 R59 C60 C65 N66	C10-C31 HydrophobicContact CB-CB 3.46Å; C10-C31 VanDerWaalsContact CB-CB 3.46Å; C10-C31 WeakPolarHBondContact CB-SG 3.22Å; C10-C31 WeakPolarHBondContact SG-CA 2.98Å; C10-C31 WeakPolarHBondContact SG-CB 3.45Å; C10-C31 PolarHBondContact SG-N 3.32Å; C10-C31 CovalentContact SG-SG 2.02Å; C10-C31 PolarHBondContact SG-SG 3.34Å; C31-R59 WeakPolarHBondContact O-CA 3.06Å; C31-C60 PolarHBondContact N-O 3Å; C31-C60 PolarHBondContact O-N 3.27Å; C31-C65 VanDerWaalsContact CB-SG 3.52Å; C31-N66 HydrophobicContact CB-CB 3.79Å
32	I	80	Confident	73.8	Confident	2 Å²	2	57.2 Å²	57.2	1%	0.01	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	139.7	-176.7	-54.5	-164.9	0	0	0	109.2	T34 K42 F43 E45 L51 T56 R59	I32-T34 HydrophobicContact CG2-CG2 4.03Å; I32-K42 VanDerWaalsContact O-CA 3.28Å; I32-K42 WeakPolarHBondContact O-CA 3.22Å; I32-F43 PolarHBondContact N-O 2.02Å; I32-F43 PolarHBondContact O-N 3.49Å; I32-E45 HydrophobicContact CD1-CB 3.92Å; I32-E45 VanDerWaalsContact CD1-CD 3.44Å; I32-E45 HydrophobicContact CD1-CG 3.57Å; I32-E45 WeakPolarHBondContact CD1-OE2 3.31Å; I32-E45 HydrophobicContact CG1-CG 4.4Å; I32-L51 HydrophobicContact CD1-CD1 3.68Å; I32-L51 HydrophobicContact CG2-CD1 4.38Å; I32-T56 HydrophobicContact CG2-CG2 4.06Å; I32-R59 HydrophobicContact CD1-CG 4.43Å; I32-R59 HydrophobicContact CG1-CG 4.22Å; I32-R59 HydrophobicContact CG2-CG 4.4Å
33	T	80.5	Confident	74.4	Confident	16 Å²	16	55.3 Å²	55.3	10%	0.098	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	121.4	168.4	-50.7	0	0	0	0	108.3	I40 S41 K42 V57 D58	T33-I40 HydrophobicContact CG2-CG2 3.94Å; T33-S41 CarbonylContact C-O 3.52Å; T33-S41 WeakPolarHBondContact CA-O 3.36Å; T33-K42 HydrophobicContact CG2-CG 4.09Å; T33-V57 PolarHBondContact O-N 2.82Å; T33-D58 PolarHBondContact N-O 2.87Å; T33-D58 PolarHBondContact O-N 3.05Å
34	T	79.5	Confident	74.7	Confident	19 Å²	19	53.4 Å²	53.4	12%	0.117	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	149	173.4	59.9	0	0	0	0	110.3	I32 I40 S41 Y55	I32-T34 HydrophobicContact CG2-CG2 4.03Å; T34-I40 WeakPolarHBondContact O-CA 3.3Å; T34-S41 PolarHBondContact N-O 3.04Å; T34-S41 PolarHBondContact O-N 3.22Å; T34-S41 PolarHBondContact OG1-O 2.94Å; T34-Y55 CarbonylContact C-O 3.59Å; T34-Y55 WeakPolarHBondContact CA-O 3.39Å; T34-Y55 WeakPolarHBondContact CB-O 3.38Å
35	H	75.3	Confident	75.1	Confident	94 Å²	94	49.9 Å²	49.9	44%	0.435	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	112.5	172.9	-177.6	-107.2	0	0	0	107.4	G38 I39 Y55 V57	H35-G38 WeakPolarHBondContact NE2-CA 3.2Å; H35-I39 WeakPolarHBondContact CA-O 3.19Å; H35-Y55 PolarHBondContact N-O 3.24Å; H35-V57 HydrophobicContact CB-CG2 3.31Å
36	S	72	Confident	75.3	Confident	45 Å²	45	52.2 Å²	52.2	32%	0.315	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	126.7	180	-172.1	0	0	0	0	108.8	G38 I39	S36-G38 PolarHBondContact O-N 2.82Å; S36-G38 VanDerWaalsContact O-N 3.11Å; S36-I39 PolarHBondContact N-O 3.33Å; S36-I39 WeakPolarHBondContact O-CA 3.28Å; S36-I39 WeakPolarHBondContact O-CB 3.44Å; S36-I39 PolarHBondContact O-N 2.87Å
37	S	73.4	Confident	75.4	Confident	120 Å²	120	47.2 Å²	47.2	84%	0.839	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	34.6	177.3	-56.1	0	0	0	0	114.9	I39	S37-I39 VanDerWaalsContact C-N 3.27Å; S37-I39 PolarHBondContact O-N 2.86Å
38	G	74.3	Confident	75	Confident	52 Å²	52	53 Å²	53	54%	0.536	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.8	-6.3	-177.6	0	0	0	0	0	114.7	H35 S36	H35-G38 WeakPolarHBondContact NE2-CA 3.2Å; S36-G38 PolarHBondContact O-N 2.82Å; S36-G38 VanDerWaalsContact O-N 3.11Å
39	I	73.3	Confident	74.7	Confident	75 Å²	75	52 Å²	52	39%	0.385	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	124.2	179.8	-56.6	174	0	0	0	108.8	D15 H35 S36 S37	D15-I39 HydrophobicContact CB-CG2 3.77Å; H35-I39 WeakPolarHBondContact CA-O 3.19Å; S36-I39 PolarHBondContact N-O 3.33Å; S36-I39 WeakPolarHBondContact O-CA 3.28Å; S36-I39 WeakPolarHBondContact O-CB 3.44Å; S36-I39 PolarHBondContact O-N 2.87Å; S37-I39 VanDerWaalsContact C-N 3.27Å; S37-I39 PolarHBondContact O-N 2.86Å
40	I	79.4	Confident	73.9	Confident	46 Å²	46	60.5 Å²	60.5	24%	0.236	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	125.8	171.9	-60.9	155.3	0	0	0	107.6	D15 C16 T33 T34 M68	D15-I40 WeakPolarHBondContact CA-O 3.13Å; D15-I40 PolarHBondContact N-O 3.35Å; C16-I40 HydrophobicContact CB-CB 4.27Å; C16-I40 HydrophobicContact CB-CG2 4.16Å; C16-I40 WeakPolarHBondContact CB-O 3.44Å; C16-I40 PolarHBondContact N-O 3.44Å; C16-I40 PolarHBondContact SG-O 3.22Å; T33-I40 HydrophobicContact CG2-CG2 3.94Å; T34-I40 WeakPolarHBondContact O-CA 3.3Å; I40-M68 HydrophobicContact CD1-CE 3.42Å; I40-M68 VanDerWaalsContact CD1-CE 3.42Å; I40-M68 HydrophobicContact CD1-SD 3.8Å; I40-M68 HydrophobicContact CG1-CE 4.27Å; I40-M68 HydrophobicContact CG2-SD 4.08Å
41	S	78.9	Confident	72.9	Confident	13 Å²	13	60.6 Å²	60.6	9%	0.091	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	151	172.2	-61.5	0	0	0	0	110.9	C13 D15 T33 T34 F43	C13-S41 CarbonylContact O-C 3.59Å; C13-S41 VanDerWaalsContact O-CA 3.26Å; C13-S41 WeakPolarHBondContact O-CA 3.16Å; D15-S41 PolarHBondContact N-OG 3.18Å; T33-S41 CarbonylContact C-O 3.52Å; T33-S41 WeakPolarHBondContact CA-O 3.36Å; T34-S41 PolarHBondContact N-O 3.04Å; T34-S41 PolarHBondContact O-N 3.22Å; T34-S41 PolarHBondContact OG1-O 2.94Å; S41-F43 VanDerWaalsContact CB-CZ 3.49Å
42	K	83.4	Confident	71.8	Confident	15 Å²	15	66.2 Å²	66.2	7%	0.065	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	140.8	-176.9	-64	180	-167.6	-179.8	0	111	Y11 T12 C13 I32 T33 N66	Y11-K42 VanDerWaalsContact O-CB 3.3Å; Y11-K42 WeakPolarHBondContact O-CB 3.45Å; T12-K42 WeakPolarHBondContact CA-O 3.26Å; C13-K42 PolarHBondContact N-O 3.47Å; C13-K42 PolarHBondContact O-N 3.12Å; I32-K42 VanDerWaalsContact O-CA 3.28Å; I32-K42 WeakPolarHBondContact O-CA 3.22Å; T33-K42 HydrophobicContact CG2-CG 4.09Å; K42-N66 WeakPolarHBondContact CD-O 3.48Å; K42-N66 VanDerWaalsContact CE-O 3.31Å; K42-N66 WeakPolarHBondContact CE-O 3.49Å; K42-N66 PolarHBondContact NZ-O 2.91Å
43	F	80.8	Confident	70.7	Confident	80 Å²	80	76.2 Å²	76.2	35%	0.351	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	158	-175	-51	-80.9	0	0	0	111.4	L14 I32 S41	L14-F43 HydrophobicContact CD1-CE1 4.39Å; L14-F43 HydrophobicContact CD1-CZ 4.1Å; I32-F43 PolarHBondContact N-O 2.02Å; I32-F43 PolarHBondContact O-N 3.49Å; S41-F43 VanDerWaalsContact CB-CZ 3.49Å
44	C	78.9	Confident	69.5	Low	20 Å²	20	82.6 Å²	82.6	14%	0.135	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	123.3	164.2	-50.7	0	0	0	0	107.7	C10 V23 I25 R30	C10-C44 HydrophobicContact CB-CB 4.3Å; C10-C44 WeakPolarHBondContact CB-SG 3.4Å; V23-C44 HydrophobicContact CG1-CB 4.45Å; V23-C44 PolarHBondContact O-SG 2.84Å; V23-C44 VanDerWaalsContact O-SG 3.33Å; I25-C44 HydrophobicContact CD1-CB 3.21Å; I25-C44 HydrophobicContact CG1-CB 3.59Å; R30-C44 CarbonylContact O-C 3.6Å; R30-C44 WeakPolarHBondContact O-CA 2.89Å
45	E	77.6	Confident	68.7	Low	34 Å²	34	87.1 Å²	87.1	16%	0.159	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	129.3	169.5	-80.5	-161	135.7	0	0	110.8	G29 R30 I32 T47 L51	G29-E45 CarbonylContact C-O 3.46Å; G29-E45 WeakPolarHBondContact CA-O 3.43Å; R30-E45 PolarHBondContact N-O 3.04Å; R30-E45 PolarHBondContact O-N 3.46Å; I32-E45 HydrophobicContact CD1-CB 3.92Å; I32-E45 VanDerWaalsContact CD1-CD 3.44Å; I32-E45 HydrophobicContact CD1-CG 3.57Å; I32-E45 WeakPolarHBondContact CD1-OE2 3.31Å; I32-E45 HydrophobicContact CG1-CG 4.4Å; E45-T47 VanDerWaalsContact C-N 3.31Å; E45-L51 HydrophobicContact CG-CD1 4.35Å; E45-L51 VanDerWaalsContact OE1-CD1 3.22Å; E45-L51 WeakPolarHBondContact OE1-CD1 3.49Å; E45-L51 WeakPolarHBondContact OE2-CD1 3.48Å
46	P	70.1	Confident	68.1	Low	80 Å²	80	83.7 Å²	83.7	52%	0.519	43%	0.432	S	S	.	.	S	Bend	trans	-76.1	-19.9	174.3	30.7	-33.9	0	0	0	112.5	I25	I25-P46 HydrophobicContact CD1-CB 4.19Å; I25-P46 HydrophobicContact CG2-CB 4.32Å
47	T	66.7	Low	67.8	Low	75 Å²	75	86.2 Å²	86.2	46%	0.46	45%	0.445	S	S	.	.	S	Bend	trans	-128.4	150.2	-178.7	50	0	0	0	0	110.5	E45 N49	E45-T47 VanDerWaalsContact C-N 3.31Å; T47-N49 PolarHBondContact O-N 2.86Å; T47-N49 PolarHBondContact OG1-OD1 2.79Å
48	Y	58.5	Low	67.7	Low	144 Å²	144	84.6 Å²	84.6	57%	0.565	43%	0.427	S	S	*	.			trans	-73.6	69.9	173.1	-80.1	-119.1	0	0	0	109.3	V28 R30	V28-Y48 HydrophobicContact CG1-CE2 4.49Å; R30-Y48 HydrophobicContact CG-CE2 4.18Å; R30-Y48 PolarHBondContact NE-OH 3.17Å; R30-Y48 PolarHBondContact NH2-OH 3.05Å
49	N	57.8	Low	67.8	Low	92 Å²	92	86.8 Å²	86.8	49%	0.492	42%	0.419	S	S	.	.			trans	-74.6	132.9	168.8	-70	-7.3	0	0	0	107	T47 L51	T47-N49 PolarHBondContact O-N 2.86Å; T47-N49 PolarHBondContact OG1-OD1 2.79Å; N49-L51 PolarHBondContact O-N 2.9Å
50	Q	55.7	Low	67.9	Low	183 Å²	183	84.3 Å²	84.3	86%	0.855	41%	0.409	S	S	*	.			trans	-69.6	74.9	166.8	-77.1	177.5	-16.9	0	0	107.2	D52	Q50-D52 PolarHBondContact O-N 3.33Å
51	L	56	Low	67.7	Low	67 Å²	67	85 Å²	85	35%	0.351	42%	0.418	S	S	.	.			trans	-51	130	159.9	-93	151.9	0	0	0	107.1	I32 E45 N49 R53	I32-L51 HydrophobicContact CD1-CD1 3.68Å; I32-L51 HydrophobicContact CG2-CD1 4.38Å; E45-L51 HydrophobicContact CG-CD1 4.35Å; E45-L51 VanDerWaalsContact OE1-CD1 3.22Å; E45-L51 WeakPolarHBondContact OE1-CD1 3.49Å; E45-L51 WeakPolarHBondContact OE2-CD1 3.48Å; N49-L51 PolarHBondContact O-N 2.9Å; L51-R53 PolarHBondContact O-N 2.93Å
52	D	55.4	Low	67.7	Low	119 Å²	119	88.8 Å²	88.8	64%	0.636	44%	0.44	S	S	*	.			trans	-48.3	126.1	-178.7	-105.9	-40	0	0	0	109	Q50 E54 Y55 T56	Q50-D52 PolarHBondContact O-N 3.33Å; D52-E54 PolarHBondContact O-N 3.03Å; D52-Y55 PolarHBondContact O-N 2.97Å; D52-T56 PolarHBondContact O-OG1 2.97Å
53	R	56.4	Low	67.5	Low	211 Å²	211	92.8 Å²	92.8	80%	0.796	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-16	-175.7	-70.3	-174.3	-174.4	-174.9	2.1	112.1	L51 Y55	L51-R53 PolarHBondContact O-N 2.93Å; R53-Y55 PolarHBondContact O-N 2.99Å
54	E	56.5	Low	67.3	Low	150 Å²	150	95.5 Å²	95.5	70%	0.701	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-26.1	-178.6	-160.3	166.8	-173.1	0	0	113.4	D52	D52-E54 PolarHBondContact O-N 3.03Å
55	Y	61.8	Low	67.3	Low	114 Å²	114	96.1 Å²	96.1	45%	0.447	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.7	-5.9	-177.4	-55.6	-71.4	0	0	0	114.4	T34 H35 D52 R53	T34-Y55 CarbonylContact C-O 3.59Å; T34-Y55 WeakPolarHBondContact CA-O 3.39Å; T34-Y55 WeakPolarHBondContact CB-O 3.38Å; H35-Y55 PolarHBondContact N-O 3.24Å; D52-Y55 PolarHBondContact O-N 2.97Å; R53-Y55 PolarHBondContact O-N 2.99Å
56	T	62.5	Low	67.4	Low	22 Å²	22	94.7 Å²	94.7	14%	0.135	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	109.8	-172.6	-53.6	0	0	0	0	110.9	I32 D52 R59	I32-T56 HydrophobicContact CG2-CG2 4.06Å; D52-T56 PolarHBondContact O-OG1 2.97Å; T56-R59 HydrophobicContact CG2-CG 3.68Å
57	V	66	Low	67.5	Low	99 Å²	99	99 Å²	99	60%	0.6	47%	0.473	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.7	-43.2	179.3	178.4	0	0	0	0	111.4	T33 H35	T33-V57 PolarHBondContact O-N 2.82Å; H35-V57 HydrophobicContact CB-CG2 3.31Å
58	D	72.5	Confident	67.4	Low	85 Å²	85	100.6 Å²	100.6	46%	0.455	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	145.8	-172.8	-162.4	9.3	0	0	0	112.7	T33	T33-D58 PolarHBondContact N-O 2.87Å; T33-D58 PolarHBondContact O-N 3.05Å
59	R	75.6	Confident	67.1	Low	98 Å²	98	98.8 Å²	98.8	37%	0.37	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	125.9	179.8	-71.6	-174.5	-79.4	-163.8	-10.5	110.1	C31 I32 T56	C31-R59 WeakPolarHBondContact O-CA 3.06Å; I32-R59 HydrophobicContact CD1-CG 4.43Å; I32-R59 HydrophobicContact CG1-CG 4.22Å; I32-R59 HydrophobicContact CG2-CG 4.4Å; T56-R59 HydrophobicContact CG2-CG 3.68Å
60	C	76.4	Confident	66.5	Low	24 Å²	24	104.3 Å²	104.3	16%	0.162	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	157.5	-179.2	57	0	0	0	0	111.2	R30 C31 C65 N66	R30-C60 WeakPolarHBondContact CA-O 3.45Å; C31-C60 PolarHBondContact N-O 3Å; C31-C60 PolarHBondContact O-N 3.27Å; C60-C65 HydrophobicContact CB-CB 3.65Å; C60-C65 WeakPolarHBondContact CB-SG 3.21Å; C60-C65 WeakPolarHBondContact SG-CB 3.48Å; C60-C65 CovalentContact SG-SG 2Å; C60-C65 PolarHBondContact SG-SG 3.47Å; C60-N66 PolarHBondContact SG-N 2.67Å
61	S	74.9	Confident	65.9	Low	61 Å²	61	102.6 Å²	102.6	43%	0.427	50%	0.497	S	S	.	.			trans	-120.3	14.8	-171.6	50.9	0	0	0	0	113.4	I8	I8-S61 WeakPolarHBondContact CD1-O 3.07Å
62	T	77.7	Confident	65.1	Low	92 Å²	92	102.5 Å²	102.5	56%	0.564	50%	0.502	S	S	*	.	S	Bend	trans	-104.6	156.1	178.7	47.4	0	0	0	0	111	R64 C65	T62-R64 PolarHBondContact O-N 3.16Å; T62-C65 WeakPolarHBondContact O-CB 3.45Å; T62-C65 PolarHBondContact O-N 2.77Å; T62-C65 PolarHBondContact O-SG 2.92Å; T62-C65 WeakPolarHBondContact OG1-CB 3.1Å
63	N	79.2	Confident	64.5	Low	98 Å²	98	103.6 Å²	103.6	52%	0.524	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	127	177.3	-84	-40.2	0	0	0	110.9	S7 I8 S9 C65	S7-N63 PolarHBondContact O-OD1 2.9Å; I8-N63 WeakPolarHBondContact CA-OD1 3.17Å; S9-N63 PolarHBondContact N-OD1 2.82Å; N63-C65 PolarHBondContact O-N 2.95Å
64	R	77.4	Confident	64	Low	138 Å²	138	99.6 Å²	99.6	52%	0.521	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.3	25.7	173.3	-66.7	180	-171.1	173	2	113.5	S9 Y11 T62 N66 R67	S9-R64 WeakPolarHBondContact O-CA 3.32Å; S9-R64 PolarHBondContact O-N 2.01Å; Y11-R64 HydrophobicContact CD2-CB 4.37Å; Y11-R64 HydrophobicContact CE2-CB 3.7Å; Y11-R64 HydrophobicContact CE2-CG 3.99Å; T62-R64 PolarHBondContact O-N 3.16Å; R64-N66 PolarHBondContact O-N 3.04Å; R64-R67 WeakPolarHBondContact O-CB 3.26Å; R64-R67 PolarHBondContact O-N 3.5Å; R64-R67 VanDerWaalsContact O-N 3.12Å
65	C	78.6	Confident	63.6	Low	33 Å²	33	101.6 Å²	101.6	22%	0.223	50%	0.497	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-27.2	-173.8	64.6	0	0	0	0	113.7	C31 C60 T62 N63 R67	C31-C65 VanDerWaalsContact CB-SG 3.52Å; C60-C65 HydrophobicContact CB-CB 3.65Å; C60-C65 WeakPolarHBondContact CB-SG 3.21Å; C60-C65 WeakPolarHBondContact SG-CB 3.48Å; C60-C65 CovalentContact SG-SG 2Å; C60-C65 PolarHBondContact SG-SG 3.47Å; T62-C65 WeakPolarHBondContact O-CB 3.45Å; T62-C65 PolarHBondContact O-N 2.77Å; T62-C65 PolarHBondContact O-SG 2.92Å; T62-C65 WeakPolarHBondContact OG1-CB 3.1Å; N63-C65 PolarHBondContact O-N 2.95Å; C65-R67 PolarHBondContact O-N 3.21Å; C65-R67 VanDerWaalsContact O-N 3.17Å
66	N	79.4	Confident	63	Low	3 Å²	3	102.6 Å²	102.6	2%	0.016	51%	0.506	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	16.4	170.9	70.2	-19.4	0	0	0	112.9	Y11 C31 K42 C60 R64 M68	Y11-N66 WeakPolarHBondContact CB-OD1 3.46Å; Y11-N66 WeakPolarHBondContact CD2-OD1 3.41Å; Y11-N66 PolarHBondContact N-OD1 3.02Å; Y11-N66 PolarHBondContact O-ND2 3.25Å; C31-N66 HydrophobicContact CB-CB 3.79Å; K42-N66 WeakPolarHBondContact CD-O 3.48Å; K42-N66 VanDerWaalsContact CE-O 3.31Å; K42-N66 WeakPolarHBondContact CE-O 3.49Å; K42-N66 PolarHBondContact NZ-O 2.91Å; C60-N66 PolarHBondContact SG-N 2.67Å; R64-N66 PolarHBondContact O-N 3.04Å; N66-M68 PolarHBondContact O-N 3.18Å
67	R	73.2	Confident	62.5	Low	170 Å²	170	105 Å²	105	64%	0.642	52%	0.521	S	S	*	.			trans	-60.8	114.8	164.5	-163.4	171.8	179.5	-171.4	-0.5	106	Y11 R64 C65 T69	Y11-R67 HydrophobicContact CD2-CB 3.9Å; Y11-R67 HydrophobicContact CD2-CG 4.4Å; Y11-R67 HydrophobicContact CE2-CB 3.43Å; Y11-R67 VanDerWaalsContact CE2-CB 3.43Å; Y11-R67 HydrophobicContact CE2-CG 3.67Å; R64-R67 WeakPolarHBondContact O-CB 3.26Å; R64-R67 PolarHBondContact O-N 3.5Å; R64-R67 VanDerWaalsContact O-N 3.12Å; C65-R67 PolarHBondContact O-N 3.21Å; C65-R67 VanDerWaalsContact O-N 3.17Å; R67-T69 VanDerWaalsContact C-N 3.33Å; R67-T69 PolarHBondContact O-N 2.75Å
68	M	63.4	Low	62	Low	109 Å²	109	104.6 Å²	104.6	54%	0.537	51%	0.514	S	S	.	.			trans	-65.8	104.9	175	-162.3	148.8	-166.9	0	0	104.9	I40 N66 K70	I40-M68 HydrophobicContact CD1-CE 3.42Å; I40-M68 VanDerWaalsContact CD1-CE 3.42Å; I40-M68 HydrophobicContact CD1-SD 3.8Å; I40-M68 HydrophobicContact CG1-CE 4.27Å; I40-M68 HydrophobicContact CG2-SD 4.08Å; N66-M68 PolarHBondContact O-N 3.18Å; M68-K70 VanDerWaalsContact C-N 3.32Å; M68-K70 PolarHBondContact O-N 2.87Å
69	T	52.4	Low	61.2	Low	107 Å²	107	105.5 Å²	105.5	66%	0.656	52%	0.518	S	S	*	.			trans	-59.6	111.8	160.3	21.6	0	0	0	0	102.9	R67 L71	R67-T69 VanDerWaalsContact C-N 3.33Å; R67-T69 PolarHBondContact O-N 2.75Å; T69-L71 PolarHBondContact O-N 2.81Å
70	K	45.6	Very low	60.3	Low	207 Å²	207	105.4 Å²	105.4	90%	0.9	53%	0.528	S	S	*	.			trans	-50.3	93.3	158.5	-108	178.2	172.3	177.5	0	103.8	M68 S72	M68-K70 VanDerWaalsContact C-N 3.32Å; M68-K70 PolarHBondContact O-N 2.87Å; K70-S72 PolarHBondContact O-N 3.48Å
71	L	42.3	Very low	59.4	Low	148 Å²	148	109.1 Å²	109.1	78%	0.775	55%	0.545	S	S	*	.			trans	-73.3	75.1	167.4	-117.8	95.9	0	0	0	104.6	T69 I73	T69-L71 PolarHBondContact O-N 2.81Å; L71-I73 PolarHBondContact O-N 3.46Å
72	S	39.8	Very low	58.7	Low	65 Å²	65	113.4 Å²	113.4	46%	0.455	56%	0.557	S	S	.	*			trans	42	74.5	130.4	-153.8	0	0	0	0	113.2	K70 H74 R75	K70-S72 PolarHBondContact O-N 3.48Å; S72-H74 PolarHBondContact O-N 3.02Å; S72-H74 WeakPolarHBondContact OG-CB 3.49Å; S72-R75 PolarHBondContact O-N 3.11Å
73	I	43.5	Very low	57.9	Low	141 Å²	141	112.9 Å²	112.9	72%	0.723	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.7	-13.6	153.2	-52	165	0	0	0	109.8	L71 R75 H76	L71-I73 PolarHBondContact O-N 3.46Å; I73-R75 PolarHBondContact O-N 3.02Å; I73-H76 PolarHBondContact O-N 2.86Å
74	H	44.4	Very low	57	Low	127 Å²	127	111.8 Å²	111.8	59%	0.588	55%	0.552	S	S	*	*	H	α-helix	trans	-57.9	-18.6	165.5	-114.6	-66.1	0	0	0	115.2	S72 H76 I78	S72-H74 PolarHBondContact O-N 3.02Å; S72-H74 WeakPolarHBondContact OG-CB 3.49Å; H74-H76 VanDerWaalsContact C-N 3.35Å; H74-I78 WeakPolarHBondContact O-CG1 3.49Å; H74-I78 PolarHBondContact O-N 3.45Å
75	R	49	Very low	56.2	Low	192 Å²	192	110.1 Å²	110.1	73%	0.725	55%	0.553	S	S	*	*	H	α-helix	trans	-69.9	-31.3	171.3	-114	-175.6	178.5	-170.2	-0.9	112.6	S72 I73 I79	S72-R75 PolarHBondContact O-N 3.11Å; I73-R75 PolarHBondContact O-N 3.02Å; R75-I79 WeakPolarHBondContact O-CG1 3.37Å
76	H	49.6	Very low	55.3	Low	136 Å²	136	110.5 Å²	110.5	63%	0.63	56%	0.563	S	S	*	*	H	α-helix	trans	-74.5	-34.7	176.3	-77.4	-74.7	0	0	0	112.3	I73 H74 I78 I79 V80	I73-H76 PolarHBondContact O-N 2.86Å; H74-H76 VanDerWaalsContact C-N 3.35Å; H76-I78 VanDerWaalsContact C-N 3.33Å; H76-I78 PolarHBondContact O-N 3.39Å; H76-I79 PolarHBondContact O-N 3.37Å; H76-V80 PolarHBondContact O-N 3.44Å
77	V	51.9	Low	54.4	Low	73 Å²	73	114.7 Å²	114.7	44%	0.442	58%	0.584	S	S	.	*	H	α-helix	trans	-65.2	-37.9	178.5	-178.1	0	0	0	0	111.6	L81	V77-L81 HydrophobicContact CG1-CD1 4.04Å; V77-L81 PolarHBondContact O-N 3.32Å
78	I	54.8	Low	53.8	Low	90 Å²	90	110.8 Å²	110.8	46%	0.462	58%	0.583	S	S	.	*	H	α-helix	trans	-65.7	-41.5	179.1	-67.3	167.2	0	0	0	111.2	H74 H76 V80 L81 F82	H74-I78 WeakPolarHBondContact O-CG1 3.49Å; H74-I78 PolarHBondContact O-N 3.45Å; H76-I78 VanDerWaalsContact C-N 3.33Å; H76-I78 PolarHBondContact O-N 3.39Å; I78-V80 PolarHBondContact O-N 3.38Å; I78-L81 PolarHBondContact O-N 3.45Å; I78-F82 HydrophobicContact CG2-CD2 3.86Å; I78-F82 HydrophobicContact CG2-CE2 3.7Å; I78-F82 VanDerWaalsContact O-CD2 3.29Å; I78-F82 WeakPolarHBondContact O-CD2 3.29Å; I78-F82 PolarHBondContact O-N 3.07Å
79	I	55.9	Low	53.5	Low	104 Å²	104	113.9 Å²	113.9	53%	0.533	59%	0.593	S	S	.	*	H	α-helix	trans	-64.7	-40.8	-178.3	-63.6	166.9	0	0	0	111.2	R75 H76 L81 F82 V83	R75-I79 WeakPolarHBondContact O-CG1 3.37Å; H76-I79 PolarHBondContact O-N 3.37Å; I79-L81 PolarHBondContact O-N 3.41Å; I79-F82 PolarHBondContact O-N 3.3Å; I79-V83 WeakPolarHBondContact O-CG2 3.47Å; I79-V83 PolarHBondContact O-N 3.09Å
80	V	57.5	Low	53.7	Low	95 Å²	95	119 Å²	119	58%	0.576	60%	0.602	S	S	*	*	H	α-helix	trans	-65.9	-39	179.8	177.4	0	0	0	0	111.9	H76 I78 F82 V83 C84	H76-V80 PolarHBondContact O-N 3.44Å; I78-V80 PolarHBondContact O-N 3.38Å; V80-F82 PolarHBondContact O-N 3.31Å; V80-V83 PolarHBondContact O-N 3.43Å; V80-C84 PolarHBondContact O-N 3.28Å
81	L	57.9	Low	54.3	Low	102 Å²	102	115.8 Å²	115.8	53%	0.534	59%	0.593	S	S	.	*	H	α-helix	trans	-63	-38.7	177.5	-98.3	136.8	0	0	0	112.9	V77 I78 I79 C84 I85	V77-L81 HydrophobicContact CG1-CD1 4.04Å; V77-L81 PolarHBondContact O-N 3.32Å; I78-L81 PolarHBondContact O-N 3.45Å; I79-L81 PolarHBondContact O-N 3.41Å; L81-C84 PolarHBondContact O-N 3.32Å; L81-I85 WeakPolarHBondContact O-CG1 3.4Å; L81-I85 PolarHBondContact O-N 3.44Å; L81-I85 VanDerWaalsContact O-N 3.17Å
82	F	59.3	Low	54.6	Low	151 Å²	151	119 Å²	119	66%	0.662	61%	0.61	S	S	*	*	H	α-helix	trans	-68.2	-35.8	177.1	-84.3	-74.5	0	0	0	112.9	I78 I79 V80 G86	I78-F82 HydrophobicContact CG2-CD2 3.86Å; I78-F82 HydrophobicContact CG2-CE2 3.7Å; I78-F82 VanDerWaalsContact O-CD2 3.29Å; I78-F82 WeakPolarHBondContact O-CD2 3.29Å; I78-F82 PolarHBondContact O-N 3.07Å; I79-F82 PolarHBondContact O-N 3.3Å; V80-F82 PolarHBondContact O-N 3.31Å; F82-G86 PolarHBondContact O-N 3.35Å
83	V	60.4	Low	55.3	Low	82 Å²	82	121.8 Å²	121.8	50%	0.497	62%	0.618	S	S	.	*	H	α-helix	trans	-65.6	-42.3	176.6	175.9	0	0	0	0	110.8	I79 V80 G86 I87	I79-V83 WeakPolarHBondContact O-CG2 3.47Å; I79-V83 PolarHBondContact O-N 3.09Å; V80-V83 PolarHBondContact O-N 3.43Å; V83-G86 PolarHBondContact O-N 3.11Å; V83-I87 HydrophobicContact CG1-CD1 3.75Å; V83-I87 VanDerWaalsContact O-CG1 3.27Å; V83-I87 WeakPolarHBondContact O-CG1 3.27Å; V83-I87 PolarHBondContact O-N 3.42Å; V83-I87 VanDerWaalsContact O-N 3.08Å
84	C	61	Low	55.9	Low	75 Å²	75	120.7 Å²	120.7	51%	0.507	61%	0.612	S	S	.	*	H	α-helix	trans	-66.3	-42.7	178.4	-68.9	0	0	0	0	113	V80 L81 G86 I87 S88	V80-C84 PolarHBondContact O-N 3.28Å; L81-C84 PolarHBondContact O-N 3.32Å; C84-G86 VanDerWaalsContact C-N 3.33Å; C84-G86 PolarHBondContact O-N 3.5Å; C84-I87 PolarHBondContact O-N 3.27Å; C84-S88 PolarHBondContact O-N 3.44Å; C84-S88 VanDerWaalsContact O-N 3.11Å
85	I	61	Low	56.6	Low	102 Å²	102	120.4 Å²	120.4	52%	0.523	61%	0.614	S	S	.	*	H	α-helix	trans	-68.1	-35.9	178.4	-63.2	169.4	0	0	0	111	L81 K89	L81-I85 WeakPolarHBondContact O-CG1 3.4Å; L81-I85 PolarHBondContact O-N 3.44Å; L81-I85 VanDerWaalsContact O-N 3.17Å; I85-K89 PolarHBondContact O-N 3.47Å
86	G	59.5	Low	57	Low	42 Å²	42	116.2 Å²	116.2	43%	0.433	61%	0.607	S	S	.	*	H	α-helix	trans	-64.6	-41.3	176.2	0	0	0	0	0	113.2	F82 V83 C84 K89 Y90	F82-G86 PolarHBondContact O-N 3.35Å; V83-G86 PolarHBondContact O-N 3.11Å; C84-G86 VanDerWaalsContact C-N 3.33Å; C84-G86 PolarHBondContact O-N 3.5Å; G86-K89 PolarHBondContact O-N 3.49Å; G86-Y90 PolarHBondContact O-N 3.08Å
87	I	60.5	Low	57.5	Low	91 Å²	91	114.9 Å²	114.9	47%	0.467	61%	0.606	S	S	.	*	H	α-helix	trans	-70.3	-40.9	178.7	-65.1	166.7	0	0	0	111.1	V83 C84 K89 Y90 I91	V83-I87 HydrophobicContact CG1-CD1 3.75Å; V83-I87 VanDerWaalsContact O-CG1 3.27Å; V83-I87 WeakPolarHBondContact O-CG1 3.27Å; V83-I87 PolarHBondContact O-N 3.42Å; V83-I87 VanDerWaalsContact O-N 3.08Å; C84-I87 PolarHBondContact O-N 3.27Å; I87-K89 PolarHBondContact O-N 3.29Å; I87-Y90 PolarHBondContact O-N 3.18Å; I87-Y90 VanDerWaalsContact O-N 3.09Å; I87-I91 HydrophobicContact CG2-CD1 3.55Å; I87-I91 HydrophobicContact CG2-CG1 4.43Å; I87-I91 PolarHBondContact O-N 3.17Å
88	S	60.5	Low	57.9	Low	88 Å²	88	117.7 Å²	117.7	62%	0.615	62%	0.617	S	S	*	*	H	α-helix	trans	-65.6	-23.6	177.5	-74.2	0	0	0	0	114	C84	C84-S88 PolarHBondContact O-N 3.44Å; C84-S88 VanDerWaalsContact O-N 3.11Å
89	K	57.2	Low	58.1	Low	173 Å²	173	119.7 Å²	119.7	75%	0.752	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	-10.5	173.7	-74.4	-135.4	173.4	-174.2	0	114.5	I85 G86 I87	I85-K89 PolarHBondContact O-N 3.47Å; G86-K89 PolarHBondContact O-N 3.49Å; I87-K89 PolarHBondContact O-N 3.29Å
90	Y	56.3	Low	58.2	Low	215 Å²	215	120.9 Å²	120.9	84%	0.843	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.3	-8.2	177.6	-119.3	-89.3	0	0	0	113.1	G86 I87	G86-Y90 PolarHBondContact O-N 3.08Å; I87-Y90 PolarHBondContact O-N 3.18Å; I87-Y90 VanDerWaalsContact O-N 3.09Å
91	I	58.5	Low	58.3	Low	140 Å²	140	123.1 Å²	123.1	72%	0.718	64%	0.64	S	S	*	*			trans	-113.2	-5.1	-176.1	-67.1	176.7	0	0	0	112.8	I87	I87-I91 HydrophobicContact CG2-CD1 3.55Å; I87-I91 HydrophobicContact CG2-CG1 4.43Å; I87-I91 PolarHBondContact O-N 3.17Å
92	L	47.6	Very low	58.3	Low	216 Å²	216	125 Å²	125	100%	1.131	65%	0.65	S	S	*	*			trans	-108.9	0	170.4	-159.9	84	0	0	0	110.1

Retrieved 92 of 92 residues in 70.2 ms (Link to these results)

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