A0A5K4F6C0_SCHMA Loading...

Peptidase S1 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F6C0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 134 aa.

						>A0A5K4F6C0_SCHMA|A0A5K4F6C0
MLAQMVNLQSGITVISLPQASDIPTPGTGVFIVGYGRDDNDRDPSRKNGGILKKGRATIMECRHATNGNPICVKAGQNFGQLPAPGDSGGPLLPSPQGPVLGVVSHGVTLPNLPDIIVEYASVARMLDFVRSNI
					

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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	81.1	Confident	88.2	Confident	224 Å²	224	129.6 Å²	129.6	100%	1.103	74%	0.742	S	S	*	*				0	135.9	0	-166.9	171.7	-77.6	0	0	108.9
2	L	88.1	Confident	88.4	Confident	129 Å²	129	125.3 Å²	125.3	68%	0.675	71%	0.714	S	S	*	*			trans	-75.5	151.2	177.6	-65.1	174.9	0	0	0	110.5	Q4 V6	L2-Q4 VanDerWaalsContact C-N 3.26Å; L2-Q4 WeakPolarHBondContact CB-O 3.42Å; L2-Q4 PolarHBondContact O-N 3.42Å; L2-V6 HydrophobicContact CD1-CG2 3.75Å
3	A	92.8	Very high	88.5	Confident	109 Å²	109	125.2 Å²	125.2	90%	0.901	72%	0.717	S	S	*	*	S	Bend	trans	-68.4	-26	176.3	0	0	0	0	0	113
4	Q	91.4	Very high	88.7	Confident	164 Å²	164	123.9 Å²	123.9	77%	0.766	71%	0.712	S	S	*	*	S	Bend	trans	-143.7	149.7	178	-63	-178.4	17.8	0	0	109.9	L2	L2-Q4 VanDerWaalsContact C-N 3.26Å; L2-Q4 WeakPolarHBondContact CB-O 3.42Å; L2-Q4 PolarHBondContact O-N 3.42Å
5	M	90.3	Very high	89	Confident	185 Å²	185	120.4 Å²	120.4	91%	0.911	69%	0.689	S	S	*	*			trans	-68.3	144.6	173.1	-67.1	-65	-77.4	0	0	110.3
6	V	90.1	Very high	89.4	Confident	69 Å²	69	116.9 Å²	116.9	42%	0.418	68%	0.675	S	S	.	*			trans	-92.7	138.6	-179.8	176.7	0	0	0	0	109.6	L2 L8 I12	L2-V6 HydrophobicContact CD1-CG2 3.75Å; V6-L8 PolarHBondContact O-N 3.13Å; V6-I12 HydrophobicContact CG1-CD1 3.24Å; V6-I12 HydrophobicContact CG1-CG1 4.42Å; V6-I12 HydrophobicContact CG1-CG2 4.08Å
7	N	90.2	Very high	89.8	Confident	93 Å²	93	113.8 Å²	113.8	50%	0.497	66%	0.655	S	S	.	*			trans	-73.4	111.1	172.4	-174.1	-3.3	0	0	0	110.1	Q9	N7-Q9 PolarHBondContact O-N 2.91Å; N7-Q9 WeakPolarHBondContact OD1-CB 3.32Å; N7-Q9 VanDerWaalsContact OD1-CG 3.23Å; N7-Q9 WeakPolarHBondContact OD1-CG 3.43Å; N7-Q9 PolarHBondContact OD1-N 3.25Å
8	L	90.7	Very high	90.2	Very high	101 Å²	101	107.5 Å²	107.5	53%	0.529	62%	0.618	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.7	-0.1	-179.7	-56.5	-177.8	0	0	0	113.7	V6 I12 V14	V6-L8 PolarHBondContact O-N 3.13Å; L8-I12 HydrophobicContact CD2-CG2 3.8Å; L8-V14 HydrophobicContact CD1-CG2 4.06Å; L8-V14 HydrophobicContact CD2-CG2 3.94Å
9	Q	84.7	Confident	90.5	Very high	174 Å²	174	107.4 Å²	107.4	81%	0.813	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	-15.7	-174.8	-65.5	176.4	-14.6	0	0	114.4	N7	N7-Q9 PolarHBondContact O-N 2.91Å; N7-Q9 WeakPolarHBondContact OD1-CB 3.32Å; N7-Q9 VanDerWaalsContact OD1-CG 3.23Å; N7-Q9 WeakPolarHBondContact OD1-CG 3.43Å; N7-Q9 PolarHBondContact OD1-N 3.25Å
10	S	85.6	Confident	90.7	Very high	86 Å²	86	105.3 Å²	105.3	60%	0.601	61%	0.608	S	S	*	*	S	Bend	trans	-140.2	122.3	179.1	60.5	0	0	0	0	112.5	I12	S10-I12 PolarHBondContact O-N 2.76Å
11	G	85.4	Confident	90.9	Very high	92 Å²	92	105 Å²	105	95%	0.948	61%	0.612	S	S	*	*	S	Bend	trans	66.7	3.2	169.3	0	0	0	0	0	116.7
12	I	90.6	Very high	91.6	Very high	78 Å²	78	97.1 Å²	97.1	40%	0.4	57%	0.574	S	S	.	*			trans	-127	129.9	-174.3	-59.2	176.1	0	0	0	109.2	V6 L8 S10	V6-I12 HydrophobicContact CG1-CD1 3.24Å; V6-I12 HydrophobicContact CG1-CG1 4.42Å; V6-I12 HydrophobicContact CG1-CG2 4.08Å; L8-I12 HydrophobicContact CD2-CG2 3.8Å; S10-I12 PolarHBondContact O-N 2.76Å
13	T	89.7	Confident	91.9	Very high	124 Å²	124	94.2 Å²	94.2	76%	0.761	56%	0.559	S	S	*	*			trans	-133.9	135.8	175.4	-57.2	0	0	0	0	108.7
14	V	91.1	Very high	92	Very high	107 Å²	107	90.1 Å²	90.1	65%	0.648	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-83.1	129.2	174.9	-177.3	0	0	0	0	108.5	L8	L8-V14 HydrophobicContact CD1-CG2 4.06Å; L8-V14 HydrophobicContact CD2-CG2 3.94Å
15	I	92.8	Very high	92.2	Very high	71 Å²	71	86.6 Å²	86.6	36%	0.364	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-88.3	146.4	173.2	58	-172.5	0	0	0	110.2	L93 V100	I15-L93 HydrophobicContact CD1-CD2 4.28Å; I15-V100 HydrophobicContact CD1-CG2 3.17Å; I15-V100 HydrophobicContact CG1-CG2 3.64Å
16	S	95	Very high	92.5	Very high	65 Å²	65	80.7 Å²	80.7	46%	0.455	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-76.6	159.2	-175.9	52.6	0	0	0	0	112.6	P99 V100	S16-P99 WeakPolarHBondContact O-CA 3.5Å; S16-P99 WeakPolarHBondContact O-CB 3.16Å; S16-V100 PolarHBondContact O-N 3.2Å; S16-V100 VanDerWaalsContact O-N 3.15Å
17	L	97	Very high	92.7	Very high	64 Å²	64	80.2 Å²	80.2	34%	0.335	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-75.2	147	162.3	-65.5	176.6	0	0	0	109.8	V123 L127 V130 R131	L17-V123 HydrophobicContact CD2-CG1 4.07Å; L17-L127 HydrophobicContact CB-CD1 3.96Å; L17-L127 HydrophobicContact CD1-CD1 3.94Å; L17-L127 HydrophobicContact CG-CD1 4.44Å; L17-V130 HydrophobicContact CD1-CG1 3.95Å; L17-V130 HydrophobicContact CD2-CG1 3.9Å; L17-R131 HydrophobicContact CD1-CG 4.35Å
18	P	97.1	Very high	92.9	Very high	0 Å²	0	78 Å²	78	0%	0	49%	0.487	C	S	.	.	P	Polyproline II helix	trans	-67.4	162.2	170.3	30.5	-34.7	0	0	0	110.7	D22 P99 V100 V123 A124	P18-D22 HydrophobicContact CB-CB 3.85Å; P18-P99 HydrophobicContact CB-CB 4.16Å; P18-V100 WeakPolarHBondContact CD-O 3.39Å; P18-V100 VanDerWaalsContact CG-O 3.27Å; P18-V100 WeakPolarHBondContact CG-O 3.3Å; P18-V123 HydrophobicContact CG-CB 3.91Å; P18-V123 HydrophobicContact CG-CG1 3.69Å; P18-A124 HydrophobicContact CB-CB 4.42Å; P18-A124 HydrophobicContact CG-CB 4.18Å
19	Q	96.3	Very high	93.1	Very high	106 Å²	106	75.6 Å²	75.6	50%	0.495	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-76.2	159.2	161	-58.1	-56.3	-42	0	0	110.2	S21 D22 A124	Q19-S21 PolarHBondContact O-N 3.38Å; Q19-S21 VanDerWaalsContact O-N 3.13Å; Q19-D22 PolarHBondContact N-OD2 3.44Å; Q19-D22 WeakPolarHBondContact O-CB 3.3Å; Q19-D22 PolarHBondContact O-N 2.62Å; Q19-A124 WeakPolarHBondContact O-CB 3.09Å
20	A	94.7	Very high	93.5	Very high	64 Å²	64	67.4 Å²	67.4	53%	0.529	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-25.2	175.3	0	0	0	0	0	112.7	L127	A20-L127 HydrophobicContact CB-CD2 4.38Å
21	S	94.8	Very high	93.8	Very high	99 Å²	99	65.1 Å²	65.1	69%	0.692	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-14.8	175.1	54.1	0	0	0	0	114.4	Q19 I23	Q19-S21 PolarHBondContact O-N 3.38Å; Q19-S21 VanDerWaalsContact O-N 3.13Å; S21-I23 PolarHBondContact O-N 2.97Å
22	D	95.1	Very high	94	Very high	60 Å²	60	60.9 Å²	60.9	32%	0.321	38%	0.383	S	S	.	.			trans	-83	42.8	-175.1	-58	-19.3	0	0	0	111.1	P18 Q19 P24 L101	P18-D22 HydrophobicContact CB-CB 3.85Å; Q19-D22 PolarHBondContact N-OD2 3.44Å; Q19-D22 WeakPolarHBondContact O-CB 3.3Å; Q19-D22 PolarHBondContact O-N 2.62Å; D22-P24 WeakPolarHBondContact O-CD 3.36Å; D22-L101 HydrophobicContact CB-CD2 4.34Å
23	I	94.5	Very high	94	Very high	67 Å²	67	58.7 Å²	58.7	34%	0.344	37%	0.374	S	S	.	.			trans	-81.9	112.7	169.8	-61.3	174.8	0	0	0	106.5	S21 A124 R125	S21-I23 PolarHBondContact O-N 2.97Å; I23-A124 HydrophobicContact CG1-CB 3.93Å; I23-R125 HydrophobicContact CD1-CG 4.04Å
24	P	95.5	Very high	94	Very high	23 Å²	23	53 Å²	53	15%	0.149	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-72.3	150.3	-175.5	31.3	-37.6	0	0	0	111.8	D22 T28 I59 I71 L101	D22-P24 WeakPolarHBondContact O-CD 3.36Å; P24-T28 HydrophobicContact CB-CG2 4.38Å; P24-I59 HydrophobicContact CB-CD1 3.23Å; P24-I59 HydrophobicContact CG-CD1 3.27Å; P24-I71 HydrophobicContact CG-CD1 3.96Å; P24-I71 HydrophobicContact CG-CG1 4.43Å; P24-I71 HydrophobicContact CG-CG2 4.24Å; P24-L101 HydrophobicContact CB-CD1 4.34Å; P24-L101 HydrophobicContact CG-CD1 4.3Å
25	T	95.5	Very high	93.8	Very high	90 Å²	90	53.5 Å²	53.5	55%	0.552	33%	0.331	S	S	*	.	P	Polyproline II helix	trans	-95.8	154	178.2	55	0	0	0	0	111.6	T28	T25-T28 WeakPolarHBondContact O-CB 3.48Å; T25-T28 PolarHBondContact O-N 2.91Å; T25-T28 VanDerWaalsContact O-N 3.1Å; T25-T28 PolarHBondContact O-OG1 3.15Å; T25-T28 PolarHBondContact OG1-OG1 2.79Å
26	P	95.4	Very high	93.3	Very high	62 Å²	62	50.9 Å²	50.9	40%	0.403	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	141.9	171.5	-16.6	21.1	0	0	0	112.4	T28 I59 E61	P26-T28 VanDerWaalsContact C-N 3.28Å; P26-I59 CarbonylContact C-O 3.6Å; P26-I59 WeakPolarHBondContact CA-O 3.2Å; P26-E61 HydrophobicContact CB-CG 4.18Å; P26-E61 VanDerWaalsContact CG-CD 3.4Å; P26-E61 HydrophobicContact CG-CG 3.72Å; P26-E61 WeakPolarHBondContact CG-OE1 3.23Å
27	G	94.4	Very high	92.6	Very high	58 Å²	58	54 Å²	54	60%	0.598	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.5	-12.1	-173.5	0	0	0	0	0	113.9	G29 I59	G27-G29 PolarHBondContact O-N 3.37Å; G27-I59 PolarHBondContact N-O 3.35Å
28	T	95.6	Very high	91.8	Very high	46 Å²	46	52.1 Å²	52.1	28%	0.282	31%	0.314	S	S	.	.			trans	-65.2	126	176	-63.8	0	0	0	0	110.5	P24 T25 P26 V30 I59	P24-T28 HydrophobicContact CB-CG2 4.38Å; T25-T28 WeakPolarHBondContact O-CB 3.48Å; T25-T28 PolarHBondContact O-N 2.91Å; T25-T28 VanDerWaalsContact O-N 3.1Å; T25-T28 PolarHBondContact O-OG1 3.15Å; T25-T28 PolarHBondContact OG1-OG1 2.79Å; P26-T28 VanDerWaalsContact C-N 3.28Å; T28-V30 HydrophobicContact CG2-CG1 4.2Å; T28-I59 HydrophobicContact CG2-CD1 4.35Å; T28-I59 PolarHBondContact O-N 3.36Å
29	G	93.5	Very high	91	Very high	52 Å²	52	55.9 Å²	55.9	54%	0.536	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	135.2	172.6	0	0	0	0	0	111.2	G27	G27-G29 PolarHBondContact O-N 3.37Å
30	V	94.2	Very high	90.1	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.012	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	165.7	-176.6	-70.6	0	0	0	0	111.1	T28 A57 I59 V73 L92 L93 L101	T28-V30 HydrophobicContact CG2-CG1 4.2Å; V30-A57 HydrophobicContact CG2-CB 4.04Å; V30-A57 WeakPolarHBondContact CG2-O 3.12Å; V30-A57 PolarHBondContact N-O 3.43Å; V30-A57 PolarHBondContact O-N 2.92Å; V30-I59 HydrophobicContact CG1-CD1 3.58Å; V30-I59 HydrophobicContact CG1-CG1 4.06Å; V30-I59 HydrophobicContact CG2-CD1 4.39Å; V30-I59 HydrophobicContact CG2-CG1 4Å; V30-V73 HydrophobicContact CG2-CG1 4.42Å; V30-L92 HydrophobicContact CB-CD1 4.02Å; V30-L92 HydrophobicContact CB-CG 4.25Å; V30-L92 HydrophobicContact CG1-CG 4.47Å; V30-L92 HydrophobicContact CG2-CD1 3.6Å; V30-L92 HydrophobicContact CG2-CG 4.2Å; V30-L93 CarbonylContact C-O 3.51Å; V30-L93 WeakPolarHBondContact CA-O 3.19Å; V30-L93 WeakPolarHBondContact CB-O 3.27Å; V30-L101 HydrophobicContact CG1-CD1 4.06Å
31	F	92.1	Very high	89.5	Confident	38 Å²	38	54.8 Å²	54.8	17%	0.167	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	143.8	174.7	-62.8	-80.2	0	0	0	110.5	K54 G55 R56 L93	F31-K54 HydrophobicContact CD1-CD 4.31Å; F31-K54 HydrophobicContact CD1-CG 4.32Å; F31-G55 WeakPolarHBondContact CA-O 3.48Å; F31-R56 HydrophobicContact CD1-CG 4.3Å; F31-R56 HydrophobicContact CE1-CG 4.07Å; F31-L93 HydrophobicContact CB-CB 4.31Å; F31-L93 PolarHBondContact N-O 3.03Å; F31-L93 PolarHBondContact O-N 3.11Å
32	I	90.2	Very high	89.1	Confident	2 Å²	2	61.7 Å²	61.7	1%	0.01	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	145.2	175.5	51.5	164.5	0	0	0	108.2	K54 G55 A57 P85 L92 Y120	I32-K54 WeakPolarHBondContact O-CA 2.98Å; I32-G55 WeakPolarHBondContact CG1-O 3.13Å; I32-G55 PolarHBondContact N-O 3.36Å; I32-G55 VanDerWaalsContact N-O 3.13Å; I32-G55 PolarHBondContact O-N 3.24Å; I32-A57 HydrophobicContact CD1-CB 4.4Å; I32-A57 HydrophobicContact CG1-CB 4.44Å; I32-A57 HydrophobicContact CG2-CB 4.02Å; I32-P85 WeakPolarHBondContact CB-O 3.43Å; I32-P85 HydrophobicContact CD1-CB 3.82Å; I32-P85 HydrophobicContact CG2-CB 4.29Å; I32-P85 WeakPolarHBondContact CG2-O 3.34Å; I32-L92 HydrophobicContact CG2-CD1 3.74Å; I32-Y120 VanDerWaalsContact CG2-OH 3.3Å; I32-Y120 WeakPolarHBondContact CG2-OH 3.09Å
33	V	89	Confident	88.8	Confident	32 Å²	32	61.6 Å²	61.6	19%	0.194	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	153	178.8	-63.6	0	0	0	0	110.3	L52 K53 K54 P91	V33-L52 HydrophobicContact CB-CD1 4.34Å; V33-K53 VanDerWaalsContact CA-O 3.29Å; V33-K53 WeakPolarHBondContact CA-O 3.41Å; V33-K54 HydrophobicContact CG1-CB 4.28Å; V33-K54 HydrophobicContact CG1-CG 4.32Å; V33-P91 HydrophobicContact CG2-CG 3.76Å
34	G	89.5	Confident	88.5	Confident	5 Å²	5	63.1 Å²	63.1	5%	0.052	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.9	161.3	-177.9	0	0	0	0	0	110.5	K53 D87	G34-K53 PolarHBondContact N-O 3.09Å; G34-K53 PolarHBondContact O-N 3.06Å; G34-D87 VanDerWaalsContact CA-OD2 3.25Å; G34-D87 WeakPolarHBondContact CA-OD2 3.29Å
35	Y	87.7	Confident	88.2	Confident	118 Å²	118	66.5 Å²	66.5	46%	0.463	37%	0.371	S	S	.	.			trans	-89.3	-42.3	171.9	-64.6	-90.3	0	0	0	110.5	L52 D87	Y35-L52 HydrophobicContact CD1-CB 4.13Å; Y35-L52 HydrophobicContact CD2-CD1 4.12Å; Y35-L52 HydrophobicContact CE1-CB 3.69Å; Y35-L52 HydrophobicContact CE1-CD1 4.34Å; Y35-L52 HydrophobicContact CE2-CD1 3.86Å; Y35-L52 HydrophobicContact CG-CD1 4.46Å; Y35-D87 PolarHBondContact N-OD2 3.15Å
36	G	81.8	Confident	87.7	Confident	16 Å²	16	66.6 Å²	66.6	17%	0.165	36%	0.361	C	S	.	.			trans	46.7	-169.4	169.7	0	0	0	0	0	117.1	G49 D87	G36-G49 PolarHBondContact O-N 3.11Å; G36-D87 WeakPolarHBondContact CA-OD1 3.03Å; G36-D87 PolarHBondContact N-OD1 2.84Å; G36-D87 PolarHBondContact N-OD2 3Å; G36-D87 VanDerWaalsContact N-OD2 3.11Å
37	R	81.8	Confident	87.2	Confident	131 Å²	131	67 Å²	67	49%	0.494	36%	0.356	S	S	.	.	B	Isolated β-bridge	trans	-86.2	129.3	166.2	-175.5	174.9	176.8	118.8	3	109.3	D39 K47 P83	R37-D39 IonicContact CZ-OD1 3.2Å; R37-D39 IonicContact CZ-OD2 3.95Å; R37-D39 VanDerWaalsContact NE-CG 3.28Å; R37-D39 IonicContact NE-OD1 2.74Å; R37-D39 PolarHBondContact NE-OD1 2.93Å; R37-D39 IonicContact NE-OD2 3.76Å; R37-D39 PolarHBondContact NE-OD2 2.8Å; R37-D39 IonicContact NH2-OD1 2.76Å; R37-D39 PolarHBondContact NH2-OD1 3.25Å; R37-D39 IonicContact NH2-OD2 3.96Å; R37-K47 CarbonylContact C-O 3.43Å; R37-K47 WeakPolarHBondContact CA-O 3.43Å; R37-K47 WeakPolarHBondContact CG-O 3.46Å; R37-P83 WeakPolarHBondContact O-CD 3.44Å; R37-P83 WeakPolarHBondContact O-CG 3.04Å
38	D	79.7	Confident	86.8	Confident	24 Å²	24	69.5 Å²	69.5	13%	0.128	36%	0.356	C	S	.	.			trans	-123.5	91.3	171.1	-176.1	6.5	0	0	0	109.6	N40 D41 K47 K53	D38-N40 PolarHBondContact O-N 3.03Å; D38-N40 VanDerWaalsContact O-N 3.15Å; D38-N40 WeakPolarHBondContact OD1-CB 3.33Å; D38-N40 PolarHBondContact OD1-N 2.82Å; D38-D41 HydrophobicContact CB-CB 4.31Å; D38-D41 PolarHBondContact O-N 3.46Å; D38-D41 VanDerWaalsContact O-N 3.13Å; D38-D41 PolarHBondContact OD1-N 3.13Å; D38-K47 PolarHBondContact N-O 3.29Å; D38-K53 WeakPolarHBondContact OD2-CE 3.25Å; D38-K53 IonicContact OD2-NZ 3.92Å; D38-K53 PolarHBondContact OD2-NZ 3.36Å
39	D	79.7	Confident	86.1	Confident	79 Å²	79	69.2 Å²	69.2	42%	0.422	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-16	178.6	-75.5	-54	0	0	0	113.3	R37	R37-D39 IonicContact CZ-OD1 3.2Å; R37-D39 IonicContact CZ-OD2 3.95Å; R37-D39 VanDerWaalsContact NE-CG 3.28Å; R37-D39 IonicContact NE-OD1 2.74Å; R37-D39 PolarHBondContact NE-OD1 2.93Å; R37-D39 IonicContact NE-OD2 3.76Å; R37-D39 PolarHBondContact NE-OD2 2.8Å; R37-D39 IonicContact NH2-OD1 2.76Å; R37-D39 PolarHBondContact NH2-OD1 3.25Å; R37-D39 IonicContact NH2-OD2 3.96Å
40	N	78.4	Confident	85.8	Confident	133 Å²	133	68.2 Å²	68.2	71%	0.711	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-2.7	178.3	-57.9	-59.3	0	0	0	113.1	D38 R42	D38-N40 PolarHBondContact O-N 3.03Å; D38-N40 VanDerWaalsContact O-N 3.15Å; D38-N40 WeakPolarHBondContact OD1-CB 3.33Å; D38-N40 PolarHBondContact OD1-N 2.82Å; N40-R42 PolarHBondContact O-N 3.15Å
41	D	81.9	Confident	85.4	Confident	14 Å²	14	71.9 Å²	71.9	8%	0.075	37%	0.371	C	S	.	.			trans	-66.9	129	175.3	-158.3	-48.3	0	0	0	110.2	D38 D43 R46	D38-D41 HydrophobicContact CB-CB 4.31Å; D38-D41 PolarHBondContact O-N 3.46Å; D38-D41 VanDerWaalsContact O-N 3.13Å; D38-D41 PolarHBondContact OD1-N 3.13Å; D41-D43 PolarHBondContact O-N 3.38Å; D41-D43 PolarHBondContact OD1-N 2.65Å; D41-R46 HydrophobicContact CB-CB 4.37Å; D41-R46 IonicContact OD1-CZ 3.33Å; D41-R46 IonicContact OD1-NE 3.06Å; D41-R46 PolarHBondContact OD1-NE 2.98Å; D41-R46 IonicContact OD1-NH2 2.93Å; D41-R46 PolarHBondContact OD1-NH2 3.04Å; D41-R46 WeakPolarHBondContact OD2-CB 3.34Å; D41-R46 IonicContact OD2-CZ 3.78Å; D41-R46 IonicContact OD2-NE 3.11Å; D41-R46 PolarHBondContact OD2-NE 3.01Å; D41-R46 VanDerWaalsContact OD2-NE 3.11Å; D41-R46 IonicContact OD2-NH2 3.46Å
42	R	85.9	Confident	85.2	Confident	244 Å²	244	74.5 Å²	74.5	92%	0.921	39%	0.387	S	S	*	.	S	Bend	trans	-67.3	-24.4	180	-66.1	-176.6	-179.4	177.2	0	112.6	N40 P44	N40-R42 PolarHBondContact O-N 3.15Å; R42-P44 WeakPolarHBondContact O-CD 3.41Å
43	D	88.1	Confident	85	Confident	58 Å²	58	76.6 Å²	76.6	31%	0.31	40%	0.395	S	S	.	.	S	Bend	trans	-94.3	112.2	175	-174.8	-20.4	0	0	0	109.2	D41 S45 R46	D41-D43 PolarHBondContact O-N 3.38Å; D41-D43 PolarHBondContact OD1-N 2.65Å; D43-S45 PolarHBondContact O-N 2.69Å; D43-S45 VanDerWaalsContact O-N 3.13Å; D43-S45 VanDerWaalsContact OD1-CB 3.32Å; D43-S45 WeakPolarHBondContact OD1-CB 3.21Å; D43-S45 PolarHBondContact OD1-N 2.8Å; D43-S45 PolarHBondContact OD1-OG 3.11Å; D43-S45 PolarHBondContact OD2-OG 3.4Å; D43-R46 HydrophobicContact CB-CB 4.17Å; D43-R46 HydrophobicContact CB-CG 3.98Å; D43-R46 PolarHBondContact O-N 2.74Å
44	P	88	Confident	84.8	Confident	99 Å²	99	79.9 Å²	79.9	64%	0.643	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-56.5	-29.1	179.2	-25.4	35.3	0	0	0	113.8	R42 R46 K47	R42-P44 WeakPolarHBondContact O-CD 3.41Å; P44-R46 PolarHBondContact O-N 3.04Å; P44-K47 PolarHBondContact O-N 3.2Å
45	S	89.1	Confident	84.7	Confident	93 Å²	93	79.7 Å²	79.7	65%	0.65	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-70.3	-20.7	178.7	73.3	0	0	0	0	112.9	D43	D43-S45 PolarHBondContact O-N 2.69Å; D43-S45 VanDerWaalsContact O-N 3.13Å; D43-S45 VanDerWaalsContact OD1-CB 3.32Å; D43-S45 WeakPolarHBondContact OD1-CB 3.21Å; D43-S45 PolarHBondContact OD1-N 2.8Å; D43-S45 PolarHBondContact OD1-OG 3.11Å; D43-S45 PolarHBondContact OD2-OG 3.4Å
46	R	86.3	Confident	84.8	Confident	93 Å²	93	81.9 Å²	81.9	35%	0.351	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-95.9	-4.8	-179.1	-66.6	-165.1	-49.6	-142.8	-10.4	114	D41 D43 P44 N48 G50	D41-R46 HydrophobicContact CB-CB 4.37Å; D41-R46 IonicContact OD1-CZ 3.33Å; D41-R46 IonicContact OD1-NE 3.06Å; D41-R46 PolarHBondContact OD1-NE 2.98Å; D41-R46 IonicContact OD1-NH2 2.93Å; D41-R46 PolarHBondContact OD1-NH2 3.04Å; D41-R46 WeakPolarHBondContact OD2-CB 3.34Å; D41-R46 IonicContact OD2-CZ 3.78Å; D41-R46 IonicContact OD2-NE 3.11Å; D41-R46 PolarHBondContact OD2-NE 3.01Å; D41-R46 VanDerWaalsContact OD2-NE 3.11Å; D41-R46 IonicContact OD2-NH2 3.46Å; D43-R46 HydrophobicContact CB-CB 4.17Å; D43-R46 HydrophobicContact CB-CG 3.98Å; D43-R46 PolarHBondContact O-N 2.74Å; P44-R46 PolarHBondContact O-N 3.04Å; R46-N48 PolarHBondContact O-N 2.82Å; R46-N48 VanDerWaalsContact O-N 3.15Å; R46-G50 VanDerWaalsContact O-CA 3.3Å; R46-G50 WeakPolarHBondContact O-CA 3.45Å; R46-G50 PolarHBondContact O-N 3.18Å
47	K	85.1	Confident	85.2	Confident	69 Å²	69	81.2 Å²	81.2	30%	0.3	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-26.6	-179.1	-72.7	-170.8	172.2	-165.2	0	113.6	R37 D38 P44	R37-K47 CarbonylContact C-O 3.43Å; R37-K47 WeakPolarHBondContact CA-O 3.43Å; R37-K47 WeakPolarHBondContact CG-O 3.46Å; D38-K47 PolarHBondContact N-O 3.29Å; P44-K47 PolarHBondContact O-N 3.2Å
48	N	84.8	Confident	85.6	Confident	111 Å²	111	78.2 Å²	78.2	59%	0.594	40%	0.401	S	S	*	.	B	Isolated β-bridge	trans	-121	98.4	174.8	-57.8	-54.7	0	0	0	108.4	R46	R46-N48 PolarHBondContact O-N 2.82Å; R46-N48 VanDerWaalsContact O-N 3.15Å
49	G	82.5	Confident	86.3	Confident	41 Å²	41	77.3 Å²	77.3	42%	0.423	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.3	16.1	173	0	0	0	0	0	115.9	G36	G36-G49 PolarHBondContact O-N 3.11Å
50	G	86.1	Confident	86.9	Confident	31 Å²	31	75.2 Å²	75.2	32%	0.32	39%	0.385	S	S	.	.			trans	-68.4	-78.7	-173.1	0	0	0	0	0	115	R46	R46-G50 VanDerWaalsContact O-CA 3.3Å; R46-G50 WeakPolarHBondContact O-CA 3.45Å; R46-G50 PolarHBondContact O-N 3.18Å
51	I	85.6	Confident	87.6	Confident	79 Å²	79	74.5 Å²	74.5	41%	0.405	38%	0.377	S	S	.	.	S	Bend	trans	-109.9	132.8	-174	-61.4	173.7	0	0	0	109.2	K53	I51-K53 WeakPolarHBondContact O-CG 3.48Å; I51-K53 PolarHBondContact O-N 3.3Å
52	L	87.4	Confident	88	Confident	93 Å²	93	75.7 Å²	75.7	49%	0.487	39%	0.386	S	S	.	.			trans	-56.7	123	172	-176.9	69.1	0	0	0	110.1	V33 Y35	V33-L52 HydrophobicContact CB-CD1 4.34Å; Y35-L52 HydrophobicContact CD1-CB 4.13Å; Y35-L52 HydrophobicContact CD2-CD1 4.12Å; Y35-L52 HydrophobicContact CE1-CB 3.69Å; Y35-L52 HydrophobicContact CE1-CD1 4.34Å; Y35-L52 HydrophobicContact CE2-CD1 3.86Å; Y35-L52 HydrophobicContact CG-CD1 4.46Å
53	K	85.9	Confident	88.1	Confident	45 Å²	45	73.3 Å²	73.3	20%	0.196	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	152.4	176.9	-54.9	-60.9	-179.5	162.2	0	110.2	V33 G34 D38 I51 L82	V33-K53 VanDerWaalsContact CA-O 3.29Å; V33-K53 WeakPolarHBondContact CA-O 3.41Å; G34-K53 PolarHBondContact N-O 3.09Å; G34-K53 PolarHBondContact O-N 3.06Å; D38-K53 WeakPolarHBondContact OD2-CE 3.25Å; D38-K53 IonicContact OD2-NZ 3.92Å; D38-K53 PolarHBondContact OD2-NZ 3.36Å; I51-K53 WeakPolarHBondContact O-CG 3.48Å; I51-K53 PolarHBondContact O-N 3.3Å; K53-L82 HydrophobicContact CB-CD1 4.19Å; K53-L82 HydrophobicContact CB-CD2 3.76Å; K53-L82 HydrophobicContact CB-CG 3.65Å; K53-L82 HydrophobicContact CG-CD2 4.02Å; K53-L82 HydrophobicContact CG-CG 4.36Å
54	K	86.5	Confident	88.1	Confident	102 Å²	102	72.7 Å²	72.7	44%	0.443	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	127.8	173.6	177	-176.3	172.9	-174.9	0	108.9	F31 I32 V33 P96	F31-K54 HydrophobicContact CD1-CD 4.31Å; F31-K54 HydrophobicContact CD1-CG 4.32Å; I32-K54 WeakPolarHBondContact O-CA 2.98Å; V33-K54 HydrophobicContact CG1-CB 4.28Å; V33-K54 HydrophobicContact CG1-CG 4.32Å; K54-P96 VanDerWaalsContact NZ-CG 3.33Å
55	G	86.2	Confident	88.3	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	162.6	174.4	0	0	0	0	0	112.8	F31 I32 Q81	F31-G55 WeakPolarHBondContact CA-O 3.48Å; I32-G55 WeakPolarHBondContact CG1-O 3.13Å; I32-G55 PolarHBondContact N-O 3.36Å; I32-G55 VanDerWaalsContact N-O 3.13Å; I32-G55 PolarHBondContact O-N 3.24Å; G55-Q81 VanDerWaalsContact CA-CD 3.48Å
56	R	89.4	Confident	88.4	Confident	165 Å²	165	70.7 Å²	70.7	62%	0.623	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.2	144.3	162.1	-72.6	-174.9	173.7	-177.9	-1.3	109.1	F31 G76	F31-R56 HydrophobicContact CD1-CG 4.3Å; F31-R56 HydrophobicContact CE1-CG 4.07Å; R56-G76 PolarHBondContact O-N 2.88Å
57	A	90	Very high	88.4	Confident	2 Å²	2	73.4 Å²	73.4	2%	0.017	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	168.6	175.4	0	0	0	0	0	110.2	V30 I32 V73 K74	V30-A57 HydrophobicContact CG2-CB 4.04Å; V30-A57 WeakPolarHBondContact CG2-O 3.12Å; V30-A57 PolarHBondContact N-O 3.43Å; V30-A57 PolarHBondContact O-N 2.92Å; I32-A57 HydrophobicContact CD1-CB 4.4Å; I32-A57 HydrophobicContact CG1-CB 4.44Å; I32-A57 HydrophobicContact CG2-CB 4.02Å; A57-V73 HydrophobicContact CB-CG1 3.45Å; A57-V73 VanDerWaalsContact CB-CG1 3.45Å; A57-K74 CarbonylContact C-O 3.39Å; A57-K74 WeakPolarHBondContact CA-O 3.47Å; A57-K74 WeakPolarHBondContact CB-O 3.44Å
58	T	92.1	Very high	88.7	Confident	67 Å²	67	73.9 Å²	73.9	41%	0.411	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	132.9	-179.7	-56.8	0	0	0	0	109.2	K74	T58-K74 PolarHBondContact N-O 3.34Å; T58-K74 PolarHBondContact O-N 3.37Å
59	I	93.7	Very high	89	Confident	6 Å²	6	73 Å²	73	3%	0.031	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	139	174.5	-65.9	175.4	0	0	0	108.6	P24 P26 G27 T28 V30 I71 V73 L92	P24-I59 HydrophobicContact CB-CD1 3.23Å; P24-I59 HydrophobicContact CG-CD1 3.27Å; P26-I59 CarbonylContact C-O 3.6Å; P26-I59 WeakPolarHBondContact CA-O 3.2Å; G27-I59 PolarHBondContact N-O 3.35Å; T28-I59 HydrophobicContact CG2-CD1 4.35Å; T28-I59 PolarHBondContact O-N 3.36Å; V30-I59 HydrophobicContact CG1-CD1 3.58Å; V30-I59 HydrophobicContact CG1-CG1 4.06Å; V30-I59 HydrophobicContact CG2-CD1 4.39Å; V30-I59 HydrophobicContact CG2-CG1 4Å; I59-I71 HydrophobicContact CD1-CG2 4.06Å; I59-I71 HydrophobicContact CG1-CG2 4.09Å; I59-I71 HydrophobicContact CG2-CG2 3.97Å; I59-V73 HydrophobicContact CG1-CG2 4.26Å; I59-L92 HydrophobicContact CD1-CD2 4.32Å
60	M	92.1	Very high	89.6	Confident	35 Å²	35	71.6 Å²	71.6	17%	0.172	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	163	-179.2	63.5	177.9	-71	0	0	111	C62 C72 K74 L113 I117	M60-C62 PolarHBondContact O-N 3.09Å; M60-C72 HydrophobicContact CG-CB 4Å; M60-C72 PolarHBondContact N-O 2.84Å; M60-K74 HydrophobicContact SD-CB 3.85Å; M60-L113 HydrophobicContact CE-CD1 3.99Å; M60-I117 HydrophobicContact CE-CD1 3.6Å; M60-I117 HydrophobicContact CE-CG1 4.32Å; M60-I117 HydrophobicContact SD-CD1 3.77Å; M60-I117 HydrophobicContact SD-CG1 3.89Å; M60-I117 HydrophobicContact SD-CG2 4.37Å
61	E	92.8	Very high	90.1	Very high	117 Å²	117	70.4 Å²	70.4	55%	0.547	38%	0.376	S	S	.	.			trans	-61.3	136.1	167.9	-69.8	-64.5	172.1	0	0	110.6	P26 R63	P26-E61 HydrophobicContact CB-CG 4.18Å; P26-E61 VanDerWaalsContact CG-CD 3.4Å; P26-E61 HydrophobicContact CG-CG 3.72Å; P26-E61 WeakPolarHBondContact CG-OE1 3.23Å; E61-R63 HydrophobicContact CB-CG 4.32Å; E61-R63 PolarHBondContact O-N 2.96Å
62	C	91.3	Very high	90.5	Very high	39 Å²	39	66.7 Å²	66.7	26%	0.264	36%	0.357	S	S	.	.			trans	-73	96.8	171.7	-65.7	0	0	0	0	109.5	M60 H64 T66 C72	M60-C62 PolarHBondContact O-N 3.09Å; C62-H64 PolarHBondContact O-N 3.31Å; C62-T66 HydrophobicContact CB-CG2 3.78Å; C62-C72 WeakPolarHBondContact CA-SG 3.43Å; C62-C72 HydrophobicContact CB-CB 4.05Å; C62-C72 WeakPolarHBondContact CB-SG 3.19Å; C62-C72 WeakPolarHBondContact SG-CB 3.12Å; C62-C72 CovalentContact SG-SG 2.03Å; C62-C72 PolarHBondContact SG-SG 2.88Å
63	R	88	Confident	90.7	Very high	194 Å²	194	62.3 Å²	62.3	73%	0.732	33%	0.334	S	S	*	.			trans	-88.4	39.2	-176.4	-63.1	-177.2	-178.5	-169.7	-0.7	113.1	E61	E61-R63 HydrophobicContact CB-CG 4.32Å; E61-R63 PolarHBondContact O-N 2.96Å
64	H	88.3	Confident	90.8	Very high	45 Å²	45	63.3 Å²	63.3	21%	0.208	34%	0.338	C	S	.	.	S	Bend	trans	-156.9	168	179.3	53.1	109.4	0	0	0	110.3	C62 T66 L110 E119	C62-H64 PolarHBondContact O-N 3.31Å; H64-T66 PolarHBondContact O-N 3.05Å; H64-L110 HydrophobicContact CB-CD1 4.4Å; H64-L110 HydrophobicContact CB-CD2 3.94Å; H64-E119 IonicContact CE1-OE1 2.82Å; H64-E119 PolarHBondContact CE1-OE1 2.73Å; H64-E119 IonicContact ND1-OE1 2.65Å
65	A	90.3	Very high	90.6	Very high	103 Å²	103	59.7 Å²	59.7	85%	0.851	33%	0.327	S	S	*	.			trans	-62	131	169	0	0	0	0	0	109.2
66	T	91.1	Very high	90.2	Very high	48 Å²	48	61.2 Å²	61.2	29%	0.294	34%	0.343	S	S	.	.			trans	-130.9	156.9	179.8	60.5	0	0	0	0	109.8	C62 H64 P70 E119	C62-T66 HydrophobicContact CB-CG2 3.78Å; H64-T66 PolarHBondContact O-N 3.05Å; T66-P70 HydrophobicContact CG2-CG 3.78Å; T66-P70 WeakPolarHBondContact OG1-CD 3.29Å; T66-E119 WeakPolarHBondContact CG2-OE1 3.38Å
67	N	88.3	Confident	89.1	Confident	149 Å²	149	59.6 Å²	59.6	80%	0.797	34%	0.343	S	S	*	.	S	Bend	trans	-111.8	140.9	172	-71.8	-34.3	0	0	0	109.6	N69	N67-N69 VanDerWaalsContact C-N 3.32Å; N67-N69 PolarHBondContact O-N 2.75Å
68	G	89.5	Confident	87.6	Confident	79 Å²	79	64.8 Å²	64.8	81%	0.814	37%	0.37	S	S	*	.	S	Bend	trans	75.3	11.7	172.5	0	0	0	0	0	116.2
69	N	92.7	Very high	85.4	Confident	94 Å²	94	71.8 Å²	71.8	50%	0.503	40%	0.395	S	S	.	.			trans	53	68.3	-179.6	-164.2	0.4	0	0	0	111.7	N67 R125	N67-N69 VanDerWaalsContact C-N 3.32Å; N67-N69 PolarHBondContact O-N 2.75Å; N69-R125 VanDerWaalsContact ND2-CZ 3.34Å; N69-R125 PolarHBondContact ND2-NE 2.63Å; N69-R125 PolarHBondContact O-NH1 2.93Å; N69-R125 VanDerWaalsContact OD1-CZ 3.25Å; N69-R125 PolarHBondContact OD1-NH1 3.24Å; N69-R125 VanDerWaalsContact OD1-NH1 3.16Å; N69-R125 PolarHBondContact OD1-NH2 3.46Å
70	P	95.2	Very high	83.2	Confident	10 Å²	10	74.2 Å²	74.2	7%	0.065	42%	0.422	C	S	.	.			trans	-73.4	175.2	-178.4	34	-37.1	0	0	0	111.8	T66 E119 Y120 R125	T66-P70 HydrophobicContact CG2-CG 3.78Å; T66-P70 WeakPolarHBondContact OG1-CD 3.29Å; P70-E119 HydrophobicContact CB-CB 3.94Å; P70-E119 HydrophobicContact CB-CG 4.2Å; P70-E119 HydrophobicContact CG-CB 4.35Å; P70-E119 HydrophobicContact CG-CG 4.05Å; P70-E119 WeakPolarHBondContact CG-OE2 3.04Å; P70-Y120 CarbonylContact C-O 3.57Å; P70-Y120 WeakPolarHBondContact CA-O 3.49Å; P70-Y120 WeakPolarHBondContact CB-O 3.48Å; P70-R125 PolarHBondContact O-NH1 2.93Å
71	I	95.5	Very high	81.3	Confident	7 Å²	7	75.6 Å²	75.6	4%	0.036	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	120.3	163.7	-58	165	0	0	0	106.8	P24 I59 V73 L92 L101 Y120	P24-I71 HydrophobicContact CG-CD1 3.96Å; P24-I71 HydrophobicContact CG-CG1 4.43Å; P24-I71 HydrophobicContact CG-CG2 4.24Å; I59-I71 HydrophobicContact CD1-CG2 4.06Å; I59-I71 HydrophobicContact CG1-CG2 4.09Å; I59-I71 HydrophobicContact CG2-CG2 3.97Å; I71-V73 HydrophobicContact CG2-CG2 3.98Å; I71-L92 HydrophobicContact CG2-CD2 4.03Å; I71-L101 WeakPolarHBondContact CD1-O 3.42Å; I71-Y120 PolarHBondContact N-O 3.29Å; I71-Y120 PolarHBondContact O-N 3.09Å
72	C	93.5	Very high	79.5	Confident	1 Å²	1	70.6 Å²	70.6	1%	0.007	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	129.6	175.7	-68.1	0	0	0	0	110.4	M60 C62 I117	M60-C72 HydrophobicContact CG-CB 4Å; M60-C72 PolarHBondContact N-O 2.84Å; C62-C72 WeakPolarHBondContact CA-SG 3.43Å; C62-C72 HydrophobicContact CB-CB 4.05Å; C62-C72 WeakPolarHBondContact CB-SG 3.19Å; C62-C72 WeakPolarHBondContact SG-CB 3.12Å; C62-C72 CovalentContact SG-SG 2.03Å; C62-C72 PolarHBondContact SG-SG 2.88Å; C72-I117 HydrophobicContact CB-CG2 3.85Å
73	V	91.8	Very high	77.8	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	134	-173.8	179.1	0	0	0	0	109.7	V30 A57 I59 I71 L92 V118 Y120	V30-V73 HydrophobicContact CG2-CG1 4.42Å; A57-V73 HydrophobicContact CB-CG1 3.45Å; A57-V73 VanDerWaalsContact CB-CG1 3.45Å; I59-V73 HydrophobicContact CG1-CG2 4.26Å; I71-V73 HydrophobicContact CG2-CG2 3.98Å; V73-L92 HydrophobicContact CG1-CD1 4.28Å; V73-L92 HydrophobicContact CG2-CD1 4.03Å; V73-L92 HydrophobicContact CG2-CD2 3.71Å; V73-V118 PolarHBondContact N-O 3.2Å; V73-V118 PolarHBondContact O-N 2.89Å; V73-Y120 HydrophobicContact CB-CD2 3.93Å; V73-Y120 HydrophobicContact CB-CE2 3.58Å; V73-Y120 HydrophobicContact CG1-CE2 4.12Å; V73-Y120 HydrophobicContact CG2-CD2 3.46Å; V73-Y120 VanDerWaalsContact CG2-CD2 3.46Å; V73-Y120 HydrophobicContact CG2-CE2 3.53Å; V73-Y120 HydrophobicContact CG2-CG 4.38Å
74	K	88.5	Confident	76.7	Confident	66 Å²	66	66.2 Å²	66.2	29%	0.287	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	124.1	170.1	-177.2	176.2	177.9	169.7	0	109.6	A57 T58 M60 D115	A57-K74 CarbonylContact C-O 3.39Å; A57-K74 WeakPolarHBondContact CA-O 3.47Å; A57-K74 WeakPolarHBondContact CB-O 3.44Å; T58-K74 PolarHBondContact N-O 3.34Å; T58-K74 PolarHBondContact O-N 3.37Å; M60-K74 HydrophobicContact SD-CB 3.85Å; K74-D115 WeakPolarHBondContact CE-OD2 3.45Å; K74-D115 IonicContact NZ-OD2 2.77Å; K74-D115 PolarHBondContact NZ-OD2 3.37Å
75	A	83.4	Confident	75.5	Confident	26 Å²	26	64.2 Å²	64.2	22%	0.215	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	144.8	172.8	0	0	0	0	0	111.2	P85	A75-P85 HydrophobicContact CB-CB 4.14Å
76	G	77.7	Confident	74.9	Confident	32 Å²	32	59.9 Å²	59.9	33%	0.33	36%	0.361	S	S	.	.			trans	-68.6	143.4	169.9	0	0	0	0	0	111.1	R56 N78	R56-G76 PolarHBondContact O-N 2.88Å; G76-N78 PolarHBondContact O-N 2.85Å
77	Q	65.9	Low	74.6	Confident	131 Å²	131	60.2 Å²	60.2	61%	0.612	36%	0.361	S	S	*	.			trans	-75.9	16.3	-175.4	-64.4	-172.4	-45.1	0	0	114.7	F79 D115	Q77-F79 PolarHBondContact O-N 2.98Å; Q77-F79 VanDerWaalsContact O-N 3.12Å; Q77-D115 PolarHBondContact NE2-OD2 3.16Å
78	N	58.4	Low	74.6	Confident	112 Å²	112	58.2 Å²	58.2	60%	0.599	36%	0.359	S	S	*	.			trans	-79.6	103.8	-176.6	-73.9	-23.7	0	0	0	110.9	G76 G80 Q81	G76-N78 PolarHBondContact O-N 2.85Å; N78-G80 PolarHBondContact O-N 3.35Å; N78-Q81 PolarHBondContact O-N 2.8Å
79	F	46.2	Very low	74.8	Confident	213 Å²	213	57 Å²	57	93%	0.934	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.3	119.2	170.2	-66.3	-88.6	0	0	0	111.2	Q77	Q77-F79 PolarHBondContact O-N 2.98Å; Q77-F79 VanDerWaalsContact O-N 3.12Å
80	G	47.8	Very low	74.8	Confident	58 Å²	58	53.1 Å²	53.1	60%	0.598	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	116.6	-8.5	-174.9	0	0	0	0	0	114.3	N78	N78-G80 PolarHBondContact O-N 3.35Å
81	Q	52.2	Low	74.8	Confident	64 Å²	64	54.1 Å²	54.1	30%	0.299	34%	0.335	S	S	.	.	S	Bend	trans	-101.9	156	170.6	-63.5	-178.4	-9.9	0	0	109.9	G55 N78	G55-Q81 VanDerWaalsContact CA-CD 3.48Å; N78-Q81 PolarHBondContact O-N 2.8Å
82	L	54.9	Low	74.8	Confident	12 Å²	12	53.8 Å²	53.8	6%	0.063	33%	0.333	C	S	.	.			trans	-41.9	131.1	-171.2	-67.5	155.1	0	0	0	112.3	K53 A84	K53-L82 HydrophobicContact CB-CD1 4.19Å; K53-L82 HydrophobicContact CB-CD2 3.76Å; K53-L82 HydrophobicContact CB-CG 3.65Å; K53-L82 HydrophobicContact CG-CD2 4.02Å; K53-L82 HydrophobicContact CG-CG 4.36Å; L82-A84 CarbonylContact C-O 3.48Å; L82-A84 WeakPolarHBondContact CB-O 3.39Å; L82-A84 PolarHBondContact O-N 3.3Å
83	P	55	Low	74.8	Confident	99 Å²	99	54.1 Å²	54.1	64%	0.643	34%	0.335	S	S	*	.	S	Bend	trans	-62.7	-16.4	-178.6	24	-32.2	0	0	0	113.1	R37	R37-P83 WeakPolarHBondContact O-CD 3.44Å; R37-P83 WeakPolarHBondContact O-CG 3.04Å
84	A	63.7	Low	75	Confident	41 Å²	41	56.5 Å²	56.5	34%	0.339	35%	0.35	S	S	.	.	S	Bend	trans	-128.7	155.9	169	0	0	0	0	0	108.2	L82 G86	L82-A84 CarbonylContact C-O 3.48Å; L82-A84 WeakPolarHBondContact CB-O 3.39Å; L82-A84 PolarHBondContact O-N 3.3Å; A84-G86 PolarHBondContact O-N 3.16Å
85	P	65	Low	75.2	Confident	4 Å²	4	55.6 Å²	55.6	3%	0.026	35%	0.352	C	S	.	.	S	Bend	trans	-70.5	24.3	-171.3	27.7	-35	0	0	0	115.6	I32 A75 V118 Y120	I32-P85 WeakPolarHBondContact CB-O 3.43Å; I32-P85 HydrophobicContact CD1-CB 3.82Å; I32-P85 HydrophobicContact CG2-CB 4.29Å; I32-P85 WeakPolarHBondContact CG2-O 3.34Å; A75-P85 HydrophobicContact CB-CB 4.14Å; P85-V118 HydrophobicContact CB-CB 4.47Å; P85-V118 HydrophobicContact CB-CG2 4.46Å; P85-V118 VanDerWaalsContact CD-CG2 3.4Å; P85-V118 HydrophobicContact CG-CB 3.28Å; P85-V118 HydrophobicContact CG-CG1 4.03Å; P85-V118 HydrophobicContact CG-CG2 3.01Å; P85-Y120 PolarHBondContact O-OH 3.05Å
86	G	77.2	Confident	75.4	Confident	12 Å²	12	57 Å²	57	12%	0.124	36%	0.359	C	S	.	.	S	Bend	trans	140	172.9	179.4	0	0	0	0	0	111.4	A84	A84-G86 PolarHBondContact O-N 3.16Å
87	D	84.5	Confident	75.9	Confident	54 Å²	54	62.7 Å²	62.7	29%	0.289	38%	0.377	S	S	.	.			trans	-86	151.9	170.7	-62.7	-39.3	0	0	0	110.3	G34 Y35 G36 G89 G90 V104	G34-D87 VanDerWaalsContact CA-OD2 3.25Å; G34-D87 WeakPolarHBondContact CA-OD2 3.29Å; Y35-D87 PolarHBondContact N-OD2 3.15Å; G36-D87 WeakPolarHBondContact CA-OD1 3.03Å; G36-D87 PolarHBondContact N-OD1 2.84Å; G36-D87 PolarHBondContact N-OD2 3Å; G36-D87 VanDerWaalsContact N-OD2 3.11Å; D87-G89 PolarHBondContact O-N 3.06Å; D87-G90 WeakPolarHBondContact O-CA 3.41Å; D87-G90 PolarHBondContact O-N 2.87Å; D87-V104 WeakPolarHBondContact O-CB 3.33Å; D87-V104 WeakPolarHBondContact O-CG2 3.08Å
88	S	89.2	Confident	77.1	Confident	108 Å²	108	56.8 Å²	56.8	76%	0.755	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	128.1	173.7	-176.3	0	0	0	0	111	G90	S88-G90 VanDerWaalsContact C-N 3.28Å
89	G	92.7	Very high	79	Confident	53 Å²	53	52.7 Å²	52.7	55%	0.546	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.7	-3.5	-173.8	0	0	0	0	0	115.1	D87 V104	D87-G89 PolarHBondContact O-N 3.06Å; G89-V104 PolarHBondContact N-O 2.98Å
90	G	92.6	Very high	81.4	Confident	12 Å²	12	43.6 Å²	43.6	12%	0.124	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-71.8	156.2	176.8	0	0	0	0	0	113.3	D87 S88 V103 V104	D87-G90 WeakPolarHBondContact O-CA 3.41Å; D87-G90 PolarHBondContact O-N 2.87Å; S88-G90 VanDerWaalsContact C-N 3.28Å; G90-V103 CarbonylContact O-C 3.59Å; G90-V103 WeakPolarHBondContact O-CA 3.27Å; G90-V104 WeakPolarHBondContact O-CG2 3.3Å; G90-V104 PolarHBondContact O-N 3.39Å
91	P	94.9	Very high	83.7	Confident	31 Å²	31	41.3 Å²	41.3	20%	0.201	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	147.1	-175.8	34.2	-35.5	0	0	0	113.4	V33 L93 V100	V33-P91 HydrophobicContact CG2-CG 3.76Å; P91-L93 HydrophobicContact CB-CD2 3.92Å; P91-L93 HydrophobicContact CB-CG 4.1Å; P91-L93 HydrophobicContact CG-CD1 4.26Å; P91-L93 HydrophobicContact CG-CD2 4.41Å; P91-L93 HydrophobicContact CG-CG 4.27Å; P91-V100 HydrophobicContact CB-CG1 3.96Å; P91-V100 HydrophobicContact CB-CG2 4.3Å
92	L	95	Very high	85.8	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	124.8	161.3	-167.4	67.4	0	0	0	109.3	V30 I32 I59 I71 V73 L101 G102 Y120	V30-L92 HydrophobicContact CB-CD1 4.02Å; V30-L92 HydrophobicContact CB-CG 4.25Å; V30-L92 HydrophobicContact CG1-CG 4.47Å; V30-L92 HydrophobicContact CG2-CD1 3.6Å; V30-L92 HydrophobicContact CG2-CG 4.2Å; I32-L92 HydrophobicContact CG2-CD1 3.74Å; I59-L92 HydrophobicContact CD1-CD2 4.32Å; I71-L92 HydrophobicContact CG2-CD2 4.03Å; V73-L92 HydrophobicContact CG1-CD1 4.28Å; V73-L92 HydrophobicContact CG2-CD1 4.03Å; V73-L92 HydrophobicContact CG2-CD2 3.71Å; L92-L101 HydrophobicContact CD2-CB 4.45Å; L92-L101 PolarHBondContact O-N 3.26Å; L92-G102 PolarHBondContact N-O 2.95Å; L92-Y120 HydrophobicContact CB-CD1 3.58Å; L92-Y120 HydrophobicContact CB-CE1 3.64Å; L92-Y120 HydrophobicContact CB-CG 4.32Å; L92-Y120 HydrophobicContact CD1-CD1 4.39Å; L92-Y120 HydrophobicContact CD1-CE1 3.89Å; L92-Y120 HydrophobicContact CD1-CE2 4.3Å; L92-Y120 HydrophobicContact CD2-CD1 4.32Å; L92-Y120 HydrophobicContact CD2-CD2 4.5Å; L92-Y120 HydrophobicContact CD2-CG 4.24Å; L92-Y120 HydrophobicContact CG-CD1 4.32Å; L92-Y120 HydrophobicContact CG-CE1 4.26Å
93	L	95.4	Very high	87.8	Confident	9 Å²	9	40 Å²	40	5%	0.047	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	139.1	-169.2	-59.4	172.8	0	0	0	111.6	I15 V30 F31 P91 S95 V100	I15-L93 HydrophobicContact CD1-CD2 4.28Å; V30-L93 CarbonylContact C-O 3.51Å; V30-L93 WeakPolarHBondContact CA-O 3.19Å; V30-L93 WeakPolarHBondContact CB-O 3.27Å; F31-L93 HydrophobicContact CB-CB 4.31Å; F31-L93 PolarHBondContact N-O 3.03Å; F31-L93 PolarHBondContact O-N 3.11Å; P91-L93 HydrophobicContact CB-CD2 3.92Å; P91-L93 HydrophobicContact CB-CG 4.1Å; P91-L93 HydrophobicContact CG-CD1 4.26Å; P91-L93 HydrophobicContact CG-CD2 4.41Å; P91-L93 HydrophobicContact CG-CG 4.27Å; L93-S95 VanDerWaalsContact C-N 3.32Å; L93-S95 WeakPolarHBondContact CB-O 3.18Å; L93-V100 HydrophobicContact CD2-CG2 4.42Å
94	P	95.2	Very high	89.6	Confident	49 Å²	49	36 Å²	36	32%	0.318	24%	0.237	S	C	.	.	S	Bend	trans	-76.7	-26.1	173	30	-27.8	0	0	0	111.4	P99 L101	P94-P99 WeakPolarHBondContact CD-O 3.49Å; P94-P99 HydrophobicContact CG-CG 4.14Å; P94-L101 HydrophobicContact CB-CD1 4.05Å; P94-L101 HydrophobicContact CG-CD1 4.31Å; P94-L101 HydrophobicContact CG-CD2 4.45Å; P94-L101 HydrophobicContact CG-CG 4.32Å
95	S	92.9	Very high	91	Very high	47 Å²	47	37.1 Å²	37.1	33%	0.329	24%	0.242	S	C	.	.	S	Bend	trans	-152.2	163	176.8	70.6	0	0	0	0	109.1	L93 Q97 G98	L93-S95 VanDerWaalsContact C-N 3.32Å; L93-S95 WeakPolarHBondContact CB-O 3.18Å; S95-Q97 PolarHBondContact O-N 2.97Å; S95-G98 PolarHBondContact O-N 3.27Å; S95-G98 WeakPolarHBondContact OG-CA 3.37Å; S95-G98 PolarHBondContact OG-N 3.24Å; S95-G98 VanDerWaalsContact OG-N 3.09Å
96	P	86.2	Confident	92	Very high	57 Å²	57	41 Å²	41	37%	0.37	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-20.1	-175.9	-25.6	36.7	0	0	0	115.5	K54	K54-P96 VanDerWaalsContact NZ-CG 3.33Å
97	Q	88.2	Confident	92.4	Very high	151 Å²	151	42.7 Å²	42.7	71%	0.706	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.6	13.4	175.6	-63.7	77.8	24.1	0	0	112.3	S95	S95-Q97 PolarHBondContact O-N 2.97Å
98	G	92.7	Very high	92.3	Very high	6 Å²	6	41.3 Å²	41.3	6%	0.062	27%	0.271	C	S	.	.	S	Bend	trans	-76.2	172.6	-177.9	0	0	0	0	0	113	S95	S95-G98 PolarHBondContact O-N 3.27Å; S95-G98 WeakPolarHBondContact OG-CA 3.37Å; S95-G98 PolarHBondContact OG-N 3.24Å; S95-G98 VanDerWaalsContact OG-N 3.09Å
99	P	96.7	Very high	91.9	Very high	27 Å²	27	41.3 Å²	41.3	18%	0.175	27%	0.267	C	S	.	.			trans	-63.9	157.6	174.5	27.8	-35.5	0	0	0	111.9	S16 P18 P94 L101	S16-P99 WeakPolarHBondContact O-CA 3.5Å; S16-P99 WeakPolarHBondContact O-CB 3.16Å; P18-P99 HydrophobicContact CB-CB 4.16Å; P94-P99 WeakPolarHBondContact CD-O 3.49Å; P94-P99 HydrophobicContact CG-CG 4.14Å; P99-L101 PolarHBondContact O-N 3.12Å
100	V	96.8	Very high	91.2	Very high	21 Å²	21	40.1 Å²	40.1	13%	0.127	25%	0.248	C	C	.	.			trans	-76.4	103.5	173.7	-172.9	0	0	0	0	109.7	I15 S16 P18 P91 L93 G102 V103 V123	I15-V100 HydrophobicContact CD1-CG2 3.17Å; I15-V100 HydrophobicContact CG1-CG2 3.64Å; S16-V100 PolarHBondContact O-N 3.2Å; S16-V100 VanDerWaalsContact O-N 3.15Å; P18-V100 WeakPolarHBondContact CD-O 3.39Å; P18-V100 VanDerWaalsContact CG-O 3.27Å; P18-V100 WeakPolarHBondContact CG-O 3.3Å; P91-V100 HydrophobicContact CB-CG1 3.96Å; P91-V100 HydrophobicContact CB-CG2 4.3Å; L93-V100 HydrophobicContact CD2-CG2 4.42Å; V100-G102 VanDerWaalsContact CG1-O 3.29Å; V100-G102 WeakPolarHBondContact CG1-O 3.47Å; V100-V103 HydrophobicContact CG1-CG2 4.16Å; V100-V123 HydrophobicContact CB-CG2 4.35Å; V100-V123 HydrophobicContact CG1-CG2 3.83Å; V100-V123 VanDerWaalsContact O-CB 3.27Å; V100-V123 WeakPolarHBondContact O-CB 3.37Å
101	L	97.2	Very high	90.3	Very high	10 Å²	10	45.9 Å²	45.9	5%	0.052	28%	0.283	C	S	.	.			trans	-71.4	-38	178	-60.7	178.3	0	0	0	111.9	D22 P24 V30 I71 L92 P94 P99 V123	D22-L101 HydrophobicContact CB-CD2 4.34Å; P24-L101 HydrophobicContact CB-CD1 4.34Å; P24-L101 HydrophobicContact CG-CD1 4.3Å; V30-L101 HydrophobicContact CG1-CD1 4.06Å; I71-L101 WeakPolarHBondContact CD1-O 3.42Å; L92-L101 HydrophobicContact CD2-CB 4.45Å; L92-L101 PolarHBondContact O-N 3.26Å; P94-L101 HydrophobicContact CB-CD1 4.05Å; P94-L101 HydrophobicContact CG-CD1 4.31Å; P94-L101 HydrophobicContact CG-CD2 4.45Å; P94-L101 HydrophobicContact CG-CG 4.32Å; P99-L101 PolarHBondContact O-N 3.12Å; L101-V123 PolarHBondContact O-N 3.11Å
102	G	96.1	Very high	89.4	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	165.4	-176.2	0	0	0	0	0	112.5	L92 V100 A121	L92-G102 PolarHBondContact N-O 2.95Å; V100-G102 VanDerWaalsContact CG1-O 3.29Å; V100-G102 WeakPolarHBondContact CG1-O 3.47Å; G102-A121 CarbonylContact C-O 3.49Å; G102-A121 WeakPolarHBondContact CA-O 3.5Å
103	V	95.8	Very high	88.2	Confident	50 Å²	50	53.9 Å²	53.9	30%	0.303	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	129.3	177.6	178.9	0	0	0	0	108.9	G90 V100 S105 Y120 A121 V123	G90-V103 CarbonylContact O-C 3.59Å; G90-V103 WeakPolarHBondContact O-CA 3.27Å; V100-V103 HydrophobicContact CG1-CG2 4.16Å; V103-S105 PolarHBondContact O-N 2.99Å; V103-Y120 VanDerWaalsContact C-CD1 3.41Å; V103-Y120 CarbonylContact O-C 3.58Å; V103-Y120 WeakPolarHBondContact O-CA 3.5Å; V103-A121 PolarHBondContact N-O 3.31Å; V103-A121 PolarHBondContact O-N 3.43Å; V103-V123 HydrophobicContact CG2-CG2 3.87Å
104	V	93.5	Very high	86.8	Confident	14 Å²	14	58.9 Å²	58.9	9%	0.085	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	121.9	-179.9	176.8	0	0	0	0	109.1	D87 G89 G90 V118 Y120	D87-V104 WeakPolarHBondContact O-CB 3.33Å; D87-V104 WeakPolarHBondContact O-CG2 3.08Å; G89-V104 PolarHBondContact N-O 2.98Å; G90-V104 WeakPolarHBondContact O-CG2 3.3Å; G90-V104 PolarHBondContact O-N 3.39Å; V104-V118 HydrophobicContact CG1-CG1 3.93Å; V104-Y120 HydrophobicContact CB-CD1 4.4Å; V104-Y120 HydrophobicContact CB-CE1 4.09Å; V104-Y120 HydrophobicContact CG2-CD1 3.96Å; V104-Y120 HydrophobicContact CG2-CE1 3.2Å; V104-Y120 VanDerWaalsContact N-CD1 3.29Å
105	S	92.5	Very high	85.6	Confident	64 Å²	64	58.9 Å²	58.9	45%	0.448	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	-65.3	179.1	-178.8	0	0	0	0	111.1	V103 E119	V103-S105 PolarHBondContact O-N 2.99Å; S105-E119 WeakPolarHBondContact CB-O 3.49Å; S105-E119 PolarHBondContact N-O 3.13Å
106	H	86.8	Confident	84.8	Confident	85 Å²	85	60.5 Å²	60.5	39%	0.394	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	160.2	179.6	66.2	-83	0	0	0	112.5	V118 E119	H106-V118 WeakPolarHBondContact O-CA 3.01Å; H106-E119 IonicContact CE1-OE1 3.59Å; H106-E119 IonicContact CE1-OE2 3.91Å; H106-E119 PolarHBondContact CE1-OE2 2.96Å; H106-E119 PolarHBondContact N-O 2.84Å; H106-E119 IonicContact ND1-OE2 3.03Å; H106-E119 IonicContact NE2-OE1 2.98Å; H106-E119 IonicContact NE2-OE2 3.64Å; H106-E119 PolarHBondContact NE2-OE2 3.02Å; H106-E119 PolarHBondContact O-N 3.39Å
107	G	84.7	Confident	84.8	Confident	48 Å²	48	57.9 Å²	57.9	50%	0.495	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	143.2	174	0	0	0	0	0	112.7	I117	G107-I117 CarbonylContact C-O 3.57Å; G107-I117 WeakPolarHBondContact CA-O 3.41Å
108	V	82.8	Confident	84.8	Confident	25 Å²	25	51 Å²	51	15%	0.152	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	124.7	178.2	-177.3	0	0	0	0	108.3	L110 I117 E119	V108-L110 HydrophobicContact CG1-CD2 3.6Å; V108-L110 HydrophobicContact CG1-CG 4.16Å; V108-I117 PolarHBondContact N-O 2.66Å; V108-I117 PolarHBondContact O-N 2.03Å; V108-E119 HydrophobicContact CG2-CG 4.1Å
109	T	81.6	Confident	84.8	Confident	109 Å²	109	51.3 Å²	51.3	67%	0.669	31%	0.309	S	S	*	.			trans	-98.7	121.9	171.6	-55.2	0	0	0	0	108.1
110	L	78.6	Confident	84.7	Confident	28 Å²	28	50.1 Å²	50.1	15%	0.147	30%	0.301	C	S	.	.			trans	-106.3	138.1	178.4	-62.2	-173.3	0	0	0	110.3	H64 V108 N112 L113 I117	H64-L110 HydrophobicContact CB-CD1 4.4Å; H64-L110 HydrophobicContact CB-CD2 3.94Å; V108-L110 HydrophobicContact CG1-CD2 3.6Å; V108-L110 HydrophobicContact CG1-CG 4.16Å; L110-N112 PolarHBondContact O-N 2.93Å; L110-L113 HydrophobicContact CB-CB 4.39Å; L110-L113 HydrophobicContact CB-CD1 4.41Å; L110-L113 HydrophobicContact CD1-CD1 3.97Å; L110-L113 PolarHBondContact O-N 2.97Å; L110-L113 VanDerWaalsContact O-N 3.11Å; L110-L113 VanDerWaalsContact O-O 3.06Å; L110-I117 HydrophobicContact CD1-CD1 3.52Å; L110-I117 HydrophobicContact CG-CD1 4.17Å
111	P	73.8	Confident	84.6	Confident	132 Å²	132	50.9 Å²	50.9	86%	0.857	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-29.1	-178.2	-27.1	33.9	0	0	0	114.9
112	N	74.8	Confident	84.6	Confident	154 Å²	154	50.6 Å²	50.6	82%	0.824	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	9.5	-174.5	-62.9	-28.4	0	0	0	113.6	L110	L110-N112 PolarHBondContact O-N 2.93Å
113	L	69.6	Low	84.7	Confident	46 Å²	46	51.2 Å²	51.2	24%	0.241	31%	0.312	C	S	.	.			trans	-128.9	127.8	175.6	-69.3	172.3	0	0	0	109.5	M60 L110 D115 I117	M60-L113 HydrophobicContact CE-CD1 3.99Å; L110-L113 HydrophobicContact CB-CB 4.39Å; L110-L113 HydrophobicContact CB-CD1 4.41Å; L110-L113 HydrophobicContact CD1-CD1 3.97Å; L110-L113 PolarHBondContact O-N 2.97Å; L110-L113 VanDerWaalsContact O-N 3.11Å; L110-L113 VanDerWaalsContact O-O 3.06Å; L113-D115 PolarHBondContact O-N 2.75Å; L113-I117 HydrophobicContact CD1-CD1 3.52Å; L113-I117 HydrophobicContact CD1-CG1 4Å
114	P	65.9	Low	84.7	Confident	114 Å²	114	49.1 Å²	49.1	74%	0.74	30%	0.301	S	S	*	.	S	Bend	trans	-69.6	-17.1	-177.7	28.8	-35.1	0	0	0	112.9
115	D	70.7	Confident	84.8	Confident	49 Å²	49	53.1 Å²	53.1	26%	0.262	31%	0.314	S	S	.	.	S	Bend	trans	-113.7	149.7	-172.4	-55.7	-46	0	0	0	110.9	K74 Q77 L113 I117	K74-D115 WeakPolarHBondContact CE-OD2 3.45Å; K74-D115 IonicContact NZ-OD2 2.77Å; K74-D115 PolarHBondContact NZ-OD2 3.37Å; Q77-D115 PolarHBondContact NE2-OD2 3.16Å; L113-D115 PolarHBondContact O-N 2.75Å; D115-I117 PolarHBondContact O-N 3.33Å
116	I	75.9	Confident	85	Confident	80 Å²	80	54.2 Å²	54.2	41%	0.41	31%	0.313	S	S	.	.			trans	-65.1	126	172	-62.7	172.2	0	0	0	108.9	V118	I116-V118 HydrophobicContact CG2-CG2 4.09Å
117	I	85.5	Confident	85.4	Confident	2 Å²	2	50.4 Å²	50.4	1%	0.01	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	141.2	162.5	-59	-179.1	0	0	0	107.1	M60 C72 G107 V108 L110 L113 D115	M60-I117 HydrophobicContact CE-CD1 3.6Å; M60-I117 HydrophobicContact CE-CG1 4.32Å; M60-I117 HydrophobicContact SD-CD1 3.77Å; M60-I117 HydrophobicContact SD-CG1 3.89Å; M60-I117 HydrophobicContact SD-CG2 4.37Å; C72-I117 HydrophobicContact CB-CG2 3.85Å; G107-I117 CarbonylContact C-O 3.57Å; G107-I117 WeakPolarHBondContact CA-O 3.41Å; V108-I117 PolarHBondContact N-O 2.66Å; V108-I117 PolarHBondContact O-N 2.03Å; L110-I117 HydrophobicContact CD1-CD1 3.52Å; L110-I117 HydrophobicContact CG-CD1 4.17Å; L113-I117 HydrophobicContact CD1-CD1 3.52Å; L113-I117 HydrophobicContact CD1-CG1 4Å; D115-I117 PolarHBondContact O-N 3.33Å
118	V	88.1	Confident	85.8	Confident	8 Å²	8	54.2 Å²	54.2	5%	0.048	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	132.8	166.6	170.4	0	0	0	0	110.6	V73 P85 V104 H106 I116 Y120	V73-V118 PolarHBondContact N-O 3.2Å; V73-V118 PolarHBondContact O-N 2.89Å; P85-V118 HydrophobicContact CB-CB 4.47Å; P85-V118 HydrophobicContact CB-CG2 4.46Å; P85-V118 VanDerWaalsContact CD-CG2 3.4Å; P85-V118 HydrophobicContact CG-CB 3.28Å; P85-V118 HydrophobicContact CG-CG1 4.03Å; P85-V118 HydrophobicContact CG-CG2 3.01Å; V104-V118 HydrophobicContact CG1-CG1 3.93Å; H106-V118 WeakPolarHBondContact O-CA 3.01Å; I116-V118 HydrophobicContact CG2-CG2 4.09Å; V118-Y120 HydrophobicContact CB-CE2 3.95Å; V118-Y120 HydrophobicContact CG1-CD2 3.89Å; V118-Y120 HydrophobicContact CG1-CE2 3.48Å; V118-Y120 VanDerWaalsContact CG1-CE2 3.48Å
119	E	92.7	Very high	86.4	Confident	12 Å²	12	59.2 Å²	59.2	6%	0.056	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	129.4	169.2	-67.8	-168.3	-170.3	0	0	109.6	H64 T66 P70 S105 H106 V108	H64-E119 IonicContact CE1-OE1 2.82Å; H64-E119 PolarHBondContact CE1-OE1 2.73Å; H64-E119 IonicContact ND1-OE1 2.65Å; T66-E119 WeakPolarHBondContact CG2-OE1 3.38Å; P70-E119 HydrophobicContact CB-CB 3.94Å; P70-E119 HydrophobicContact CB-CG 4.2Å; P70-E119 HydrophobicContact CG-CB 4.35Å; P70-E119 HydrophobicContact CG-CG 4.05Å; P70-E119 WeakPolarHBondContact CG-OE2 3.04Å; S105-E119 WeakPolarHBondContact CB-O 3.49Å; S105-E119 PolarHBondContact N-O 3.13Å; H106-E119 IonicContact CE1-OE1 3.59Å; H106-E119 IonicContact CE1-OE2 3.91Å; H106-E119 PolarHBondContact CE1-OE2 2.96Å; H106-E119 PolarHBondContact N-O 2.84Å; H106-E119 IonicContact ND1-OE2 3.03Å; H106-E119 IonicContact NE2-OE1 2.98Å; H106-E119 IonicContact NE2-OE2 3.64Å; H106-E119 PolarHBondContact NE2-OE2 3.02Å; H106-E119 PolarHBondContact O-N 3.39Å; V108-E119 HydrophobicContact CG2-CG 4.1Å
120	Y	95	Very high	87	Confident	1 Å²	1	55.8 Å²	55.8	0%	0.004	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	134.6	170.6	-69.3	-111	0	0	0	109.4	I32 P70 I71 V73 P85 L92 V103 V104 V118 S122	I32-Y120 VanDerWaalsContact CG2-OH 3.3Å; I32-Y120 WeakPolarHBondContact CG2-OH 3.09Å; P70-Y120 CarbonylContact C-O 3.57Å; P70-Y120 WeakPolarHBondContact CA-O 3.49Å; P70-Y120 WeakPolarHBondContact CB-O 3.48Å; I71-Y120 PolarHBondContact N-O 3.29Å; I71-Y120 PolarHBondContact O-N 3.09Å; V73-Y120 HydrophobicContact CB-CD2 3.93Å; V73-Y120 HydrophobicContact CB-CE2 3.58Å; V73-Y120 HydrophobicContact CG1-CE2 4.12Å; V73-Y120 HydrophobicContact CG2-CD2 3.46Å; V73-Y120 VanDerWaalsContact CG2-CD2 3.46Å; V73-Y120 HydrophobicContact CG2-CE2 3.53Å; V73-Y120 HydrophobicContact CG2-CG 4.38Å; P85-Y120 PolarHBondContact O-OH 3.05Å; L92-Y120 HydrophobicContact CB-CD1 3.58Å; L92-Y120 HydrophobicContact CB-CE1 3.64Å; L92-Y120 HydrophobicContact CB-CG 4.32Å; L92-Y120 HydrophobicContact CD1-CD1 4.39Å; L92-Y120 HydrophobicContact CD1-CE1 3.89Å; L92-Y120 HydrophobicContact CD1-CE2 4.3Å; L92-Y120 HydrophobicContact CD2-CD1 4.32Å; L92-Y120 HydrophobicContact CD2-CD2 4.5Å; L92-Y120 HydrophobicContact CD2-CG 4.24Å; L92-Y120 HydrophobicContact CG-CD1 4.32Å; L92-Y120 HydrophobicContact CG-CE1 4.26Å; V103-Y120 VanDerWaalsContact C-CD1 3.41Å; V103-Y120 CarbonylContact O-C 3.58Å; V103-Y120 WeakPolarHBondContact O-CA 3.5Å; V104-Y120 HydrophobicContact CB-CD1 4.4Å; V104-Y120 HydrophobicContact CB-CE1 4.09Å; V104-Y120 HydrophobicContact CG2-CD1 3.96Å; V104-Y120 HydrophobicContact CG2-CE1 3.2Å; V104-Y120 VanDerWaalsContact N-CD1 3.29Å; V118-Y120 HydrophobicContact CB-CE2 3.95Å; V118-Y120 HydrophobicContact CG1-CD2 3.89Å; V118-Y120 HydrophobicContact CG1-CE2 3.48Å; V118-Y120 VanDerWaalsContact CG1-CE2 3.48Å; Y120-S122 PolarHBondContact O-N 3.13Å
121	A	95.7	Very high	87.7	Confident	37 Å²	37	60.3 Å²	60.3	31%	0.306	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	126.3	166.1	0	0	0	0	0	108.6	G102 V103 V123 M126	G102-A121 CarbonylContact C-O 3.49Å; G102-A121 WeakPolarHBondContact CA-O 3.5Å; V103-A121 PolarHBondContact N-O 3.31Å; V103-A121 PolarHBondContact O-N 3.43Å; A121-V123 PolarHBondContact O-N 2.95Å; A121-M126 HydrophobicContact CB-SD 4.18Å
122	S	96.8	Very high	88.7	Confident	4 Å²	4	58.7 Å²	58.7	3%	0.028	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	114.7	-177.7	177.4	0	0	0	0	110.8	Y120 R125 M126	Y120-S122 PolarHBondContact O-N 3.13Å; S122-R125 PolarHBondContact O-N 2.79Å; S122-R125 WeakPolarHBondContact OG-CG 3.41Å; S122-R125 PolarHBondContact OG-N 3.24Å; S122-M126 WeakPolarHBondContact O-CG 3.5Å; S122-M126 PolarHBondContact O-N 3.04Å; S122-M126 VanDerWaalsContact O-N 3.16Å
123	V	97.2	Very high	89.6	Confident	13 Å²	13	56.5 Å²	56.5	8%	0.079	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-38.9	179.6	177.7	0	0	0	0	110.9	L17 P18 V100 L101 V103 A121 R125 M126 L127	L17-V123 HydrophobicContact CD2-CG1 4.07Å; P18-V123 HydrophobicContact CG-CB 3.91Å; P18-V123 HydrophobicContact CG-CG1 3.69Å; V100-V123 HydrophobicContact CB-CG2 4.35Å; V100-V123 HydrophobicContact CG1-CG2 3.83Å; V100-V123 VanDerWaalsContact O-CB 3.27Å; V100-V123 WeakPolarHBondContact O-CB 3.37Å; L101-V123 PolarHBondContact O-N 3.11Å; V103-V123 HydrophobicContact CG2-CG2 3.87Å; A121-V123 PolarHBondContact O-N 2.95Å; V123-R125 VanDerWaalsContact C-N 3.26Å; V123-R125 PolarHBondContact O-N 2.77Å; V123-M126 CarbonylContact O-C 3.6Å; V123-M126 PolarHBondContact O-N 3.02Å; V123-L127 WeakPolarHBondContact O-CA 2.9Å; V123-L127 PolarHBondContact O-N 3.17Å
124	A	97.2	Very high	90.3	Very high	7 Å²	7	62 Å²	62	6%	0.058	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-58.2	-38	176.3	0	0	0	0	0	112.2	P18 Q19 I23 L127	P18-A124 HydrophobicContact CB-CB 4.42Å; P18-A124 HydrophobicContact CG-CB 4.18Å; Q19-A124 WeakPolarHBondContact O-CB 3.09Å; I23-A124 HydrophobicContact CG1-CB 3.93Å; A124-L127 WeakPolarHBondContact O-CB 3.33Å
125	R	95.7	Very high	91.6	Very high	97 Å²	97	59.5 Å²	59.5	37%	0.366	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-76.3	-22.6	176.8	-65.8	177.6	180	131.4	-0.5	113.5	I23 N69 P70 S122 V123	I23-R125 HydrophobicContact CD1-CG 4.04Å; N69-R125 VanDerWaalsContact ND2-CZ 3.34Å; N69-R125 PolarHBondContact ND2-NE 2.63Å; N69-R125 PolarHBondContact O-NH1 2.93Å; N69-R125 VanDerWaalsContact OD1-CZ 3.25Å; N69-R125 PolarHBondContact OD1-NH1 3.24Å; N69-R125 VanDerWaalsContact OD1-NH1 3.16Å; N69-R125 PolarHBondContact OD1-NH2 3.46Å; P70-R125 PolarHBondContact O-NH1 2.93Å; S122-R125 PolarHBondContact O-N 2.79Å; S122-R125 WeakPolarHBondContact OG-CG 3.41Å; S122-R125 PolarHBondContact OG-N 3.24Å; V123-R125 VanDerWaalsContact C-N 3.26Å; V123-R125 PolarHBondContact O-N 2.77Å
126	M	94.9	Very high	92.7	Very high	87 Å²	87	60 Å²	60	43%	0.429	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-101	11.2	178	-62.3	-178.3	76.1	0	0	112.5	A121 S122 V123 D128 F129 V130	A121-M126 HydrophobicContact CB-SD 4.18Å; S122-M126 WeakPolarHBondContact O-CG 3.5Å; S122-M126 PolarHBondContact O-N 3.04Å; S122-M126 VanDerWaalsContact O-N 3.16Å; V123-M126 CarbonylContact O-C 3.6Å; V123-M126 PolarHBondContact O-N 3.02Å; M126-D128 VanDerWaalsContact C-N 3.32Å; M126-D128 PolarHBondContact O-N 2.89Å; M126-F129 HydrophobicContact CE-CD1 4.3Å; M126-F129 WeakPolarHBondContact O-CB 3.34Å; M126-F129 PolarHBondContact O-N 2.89Å; M126-F129 VanDerWaalsContact O-N 3.11Å; M126-V130 HydrophobicContact CB-CG2 4.47Å; M126-V130 WeakPolarHBondContact O-CG2 3.47Å; M126-V130 PolarHBondContact O-N 3.05Å
127	L	95.5	Very high	93.6	Very high	6 Å²	6	58.9 Å²	58.9	3%	0.031	30%	0.303	C	S	.	.	H	α-helix	trans	-60.7	-40.2	-167.1	-173	61.6	0	0	0	112.8	L17 A20 V123 A124 V130 R131	L17-L127 HydrophobicContact CB-CD1 3.96Å; L17-L127 HydrophobicContact CD1-CD1 3.94Å; L17-L127 HydrophobicContact CG-CD1 4.44Å; A20-L127 HydrophobicContact CB-CD2 4.38Å; V123-L127 WeakPolarHBondContact O-CA 2.9Å; V123-L127 PolarHBondContact O-N 3.17Å; A124-L127 WeakPolarHBondContact O-CB 3.33Å; L127-V130 PolarHBondContact O-N 3.5Å; L127-R131 HydrophobicContact CD1-CG 4.36Å; L127-R131 HydrophobicContact CG-CG 4.47Å; L127-R131 WeakPolarHBondContact O-CB 3.48Å; L127-R131 VanDerWaalsContact O-CG 3.3Å; L127-R131 WeakPolarHBondContact O-CG 3.32Å; L127-R131 PolarHBondContact O-N 2.86Å
128	D	94.5	Very high	94.1	Very high	127 Å²	127	62.2 Å²	62.2	68%	0.679	32%	0.32	S	S	*	.	H	α-helix	trans	-63.1	-46.9	177.1	-67.8	-22.1	0	0	0	111.1	M126 V130 R131 S132	M126-D128 VanDerWaalsContact C-N 3.32Å; M126-D128 PolarHBondContact O-N 2.89Å; D128-V130 VanDerWaalsContact C-N 3.35Å; D128-V130 PolarHBondContact O-N 2.87Å; D128-R131 PolarHBondContact O-N 3.1Å; D128-S132 WeakPolarHBondContact O-CB 3.14Å; D128-S132 PolarHBondContact O-N 3.34Å; D128-S132 PolarHBondContact O-OG 3.38Å; D128-S132 VanDerWaalsContact O-OG 3.09Å
129	F	94.6	Very high	94.4	Very high	130 Å²	130	65.6 Å²	65.6	57%	0.57	34%	0.337	S	S	*	.	H	α-helix	trans	-59	-46.1	175.6	173.9	-96	0	0	0	111.6	M126 S132 N133	M126-F129 HydrophobicContact CE-CD1 4.3Å; M126-F129 WeakPolarHBondContact O-CB 3.34Å; M126-F129 PolarHBondContact O-N 2.89Å; M126-F129 VanDerWaalsContact O-N 3.11Å; F129-S132 PolarHBondContact O-N 2.89Å; F129-N133 WeakPolarHBondContact CE2-ND2 3.45Å; F129-N133 PolarHBondContact O-N 2.9Å; F129-N133 PolarHBondContact O-ND2 2.8Å
130	V	94.4	Very high	94.6	Very high	37 Å²	37	69.2 Å²	69.2	22%	0.224	36%	0.356	C	S	.	.	H	α-helix	trans	-61.1	-49	178.3	173.6	0	0	0	0	110.4	L17 M126 L127 D128 S132 N133 I134	L17-V130 HydrophobicContact CD1-CG1 3.95Å; L17-V130 HydrophobicContact CD2-CG1 3.9Å; M126-V130 HydrophobicContact CB-CG2 4.47Å; M126-V130 WeakPolarHBondContact O-CG2 3.47Å; M126-V130 PolarHBondContact O-N 3.05Å; L127-V130 PolarHBondContact O-N 3.5Å; D128-V130 VanDerWaalsContact C-N 3.35Å; D128-V130 PolarHBondContact O-N 2.87Å; V130-S132 VanDerWaalsContact C-N 3.27Å; V130-S132 PolarHBondContact O-N 2.95Å; V130-N133 PolarHBondContact O-N 2.9Å; V130-N133 VanDerWaalsContact O-N 3.09Å; V130-I134 HydrophobicContact CG1-CG2 4.23Å; V130-I134 WeakPolarHBondContact O-CG2 2.97Å; V130-I134 PolarHBondContact O-N 2.79Å
131	R	93.4	Very high	94.5	Very high	124 Å²	124	74.1 Å²	74.1	47%	0.468	38%	0.381	S	S	.	.	H	α-helix	trans	-62.8	-31	-179.6	-75.2	176.6	174.6	176.4	-0.7	113.2	L17 L127 D128 N133	L17-R131 HydrophobicContact CD1-CG 4.35Å; L127-R131 HydrophobicContact CD1-CG 4.36Å; L127-R131 HydrophobicContact CG-CG 4.47Å; L127-R131 WeakPolarHBondContact O-CB 3.48Å; L127-R131 VanDerWaalsContact O-CG 3.3Å; L127-R131 WeakPolarHBondContact O-CG 3.32Å; L127-R131 PolarHBondContact O-N 2.86Å; D128-R131 PolarHBondContact O-N 3.1Å; R131-N133 VanDerWaalsContact C-N 3.31Å
132	S	95.1	Very high	94.4	Very high	97 Å²	97	76.9 Å²	76.9	68%	0.678	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-8.3	176.5	-61.5	0	0	0	0	114.5	D128 F129 V130	D128-S132 WeakPolarHBondContact O-CB 3.14Å; D128-S132 PolarHBondContact O-N 3.34Å; D128-S132 PolarHBondContact O-OG 3.38Å; D128-S132 VanDerWaalsContact O-OG 3.09Å; F129-S132 PolarHBondContact O-N 2.89Å; V130-S132 VanDerWaalsContact C-N 3.27Å; V130-S132 PolarHBondContact O-N 2.95Å
133	N	92.9	Very high	94.2	Very high	109 Å²	109	83 Å²	83	58%	0.583	42%	0.416	S	S	*	.			trans	-126.2	8.2	-173.5	-72.2	-87.2	0	0	0	114.4	F129 V130 R131	F129-N133 WeakPolarHBondContact CE2-ND2 3.45Å; F129-N133 PolarHBondContact O-N 2.9Å; F129-N133 PolarHBondContact O-ND2 2.8Å; V130-N133 PolarHBondContact O-N 2.9Å; V130-N133 VanDerWaalsContact O-N 3.09Å; R131-N133 VanDerWaalsContact C-N 3.31Å
134	I	85.6	Confident	94	Very high	162 Å²	162	89.4 Å²	89.4	83%	0.831	45%	0.447	S	S	*	.			trans	-92.8	0	170.6	54.9	173.9	0	0	0	110.9	V130	V130-I134 HydrophobicContact CG1-CG2 4.23Å; V130-I134 WeakPolarHBondContact O-CG2 2.97Å; V130-I134 PolarHBondContact O-N 2.79Å

Retrieved 134 of 134 residues in 110.8 ms (Link to these results)

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