A0A452RBZ6_URSAM Loading...

Signal peptidase complex subunit 2

Component of the signal peptidase complex (SPC) which catalyzes the cleavage of N-terminal signal sequences from nascent proteins as they are translocated into the lumen of the endoplasmic reticulum. Enhances the enzymatic activity of SPC and facilitates the interactions between different components of the translocation site.

AlphaFold DB , UniProt , Accession A0A452RBZ6, Species URSAM (Ursus americanus, American black bear), Gene n/a, Length 103 aa.

						>A0A452RBZ6_URSAM|A0A452RBZ6
MMGILTIYTSYKEKSIFLVAHRKDPTGMDPDDIWQLSSSLKRFDDKYTLKLTFISGRTKQQREAEFTKSIAKFFDHSGTLVMDAYEPEISRLHDSLATERKIK
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46.7	Very low	46.6	Very low	237 Å²	237	108.4 Å²	108.4	100%	1.167	58%	0.578	S	S	*	*				0	77.9	0	-162.1	-176.4	-118	0	0	109
2	M	44.1	Very low	46	Very low	139 Å²	139	113.2 Å²	113.2	69%	0.685	59%	0.59	S	S	*	*			trans	-143.6	-15.5	-179.5	-95.5	-73.7	-176	0	0	112.5	L5 T6	M2-L5 PolarHBondContact O-N 2.96Å; M2-T6 PolarHBondContact O-N 3.43Å; M2-T6 PolarHBondContact O-OG1 3.01Å
3	G	44.1	Very low	45.5	Very low	49 Å²	49	117 Å²	117	51%	0.505	60%	0.603	S	S	.	*	H	α-helix	trans	-71.2	-33.7	-179.2	0	0	0	0	0	114.4	L5 T6 I7	G3-L5 VanDerWaalsContact C-N 3.28Å; G3-L5 PolarHBondContact O-N 3.09Å; G3-T6 PolarHBondContact O-N 3.23Å; G3-I7 WeakPolarHBondContact O-CG1 3.37Å; G3-I7 PolarHBondContact O-N 3.08Å
4	I	49.8	Very low	45.4	Very low	138 Å²	138	122.7 Å²	122.7	71%	0.708	62%	0.621	S	S	*	*	H	α-helix	trans	-66.8	-32.2	177.5	-67.7	167.5	0	0	0	111	Y8	I4-Y8 VanDerWaalsContact O-CB 3.23Å; I4-Y8 WeakPolarHBondContact O-CB 3.06Å; I4-Y8 PolarHBondContact O-N 3.27Å
5	L	48.2	Very low	45.4	Very low	105 Å²	105	117.3 Å²	117.3	55%	0.55	60%	0.599	S	S	.	*	H	α-helix	trans	-76.6	-34.2	-179.4	-157.3	72.5	0	0	0	112.1	M2 G3 Y8 T9	M2-L5 PolarHBondContact O-N 2.96Å; G3-L5 VanDerWaalsContact C-N 3.28Å; G3-L5 PolarHBondContact O-N 3.09Å; L5-Y8 HydrophobicContact CD1-CD1 4.4Å; L5-Y8 CarbonylContact O-C 3.58Å; L5-Y8 WeakPolarHBondContact O-CB 2.94Å; L5-Y8 PolarHBondContact O-N 2.79Å; L5-T9 WeakPolarHBondContact O-CG2 3.13Å; L5-T9 PolarHBondContact O-N 3.36Å; L5-T9 PolarHBondContact O-OG1 2.74Å
6	T	49.3	Very low	45.8	Very low	91 Å²	91	116.3 Å²	116.3	56%	0.558	59%	0.594	S	S	*	*	H	α-helix	trans	-68.5	-36	173.4	-47.9	0	0	0	0	112.1	M2 G3 Y8 T9 S10	M2-T6 PolarHBondContact O-N 3.43Å; M2-T6 PolarHBondContact O-OG1 3.01Å; G3-T6 PolarHBondContact O-N 3.23Å; T6-Y8 VanDerWaalsContact C-N 3.33Å; T6-T9 WeakPolarHBondContact CA-OG1 3.35Å; T6-T9 PolarHBondContact O-OG1 3Å; T6-S10 PolarHBondContact O-N 3.16Å
7	I	50.6	Low	46.4	Very low	97 Å²	97	114.9 Å²	114.9	50%	0.497	58%	0.583	S	S	.	*	H	α-helix	trans	-68.8	-35.6	170.8	-63.5	170.5	0	0	0	110.2	G3 S10 Y11	G3-I7 WeakPolarHBondContact O-CG1 3.37Å; G3-I7 PolarHBondContact O-N 3.08Å; I7-S10 WeakPolarHBondContact O-CB 3.49Å; I7-S10 PolarHBondContact O-N 2.78Å; I7-Y11 PolarHBondContact O-N 3.17Å; I7-Y11 VanDerWaalsContact O-N 3.11Å
8	Y	43.3	Very low	46.7	Very low	113 Å²	113	114.2 Å²	114.2	44%	0.443	58%	0.58	S	S	.	*	H	α-helix	trans	-70.6	-35.6	176.9	-169.6	-101.3	0	0	0	113.5	I4 L5 T6 S10 Y11	I4-Y8 VanDerWaalsContact O-CB 3.23Å; I4-Y8 WeakPolarHBondContact O-CB 3.06Å; I4-Y8 PolarHBondContact O-N 3.27Å; L5-Y8 HydrophobicContact CD1-CD1 4.4Å; L5-Y8 CarbonylContact O-C 3.58Å; L5-Y8 WeakPolarHBondContact O-CB 2.94Å; L5-Y8 PolarHBondContact O-N 2.79Å; T6-Y8 VanDerWaalsContact C-N 3.33Å; Y8-S10 VanDerWaalsContact C-N 3.27Å; Y8-S10 PolarHBondContact O-N 2.86Å; Y8-Y11 PolarHBondContact O-N 3.1Å; Y8-Y11 VanDerWaalsContact O-N 3.1Å
9	T	44.3	Very low	47	Very low	95 Å²	95	111.2 Å²	111.2	58%	0.583	57%	0.568	S	S	*	*	H	α-helix	trans	-67.5	-30	172.1	51.1	0	0	0	0	111.8	L5 T6 Y11	L5-T9 WeakPolarHBondContact O-CG2 3.13Å; L5-T9 PolarHBondContact O-N 3.36Å; L5-T9 PolarHBondContact O-OG1 2.74Å; T6-T9 WeakPolarHBondContact CA-OG1 3.35Å; T6-T9 PolarHBondContact O-OG1 3Å; T9-Y11 VanDerWaalsContact C-N 3.34Å
10	S	48.4	Very low	47.1	Very low	51 Å²	51	107.8 Å²	107.8	36%	0.357	56%	0.557	S	S	.	*	H	α-helix	trans	-72.2	-21.9	169.2	-87.6	0	0	0	0	114.2	T6 I7 Y8 F17	T6-S10 PolarHBondContact O-N 3.16Å; I7-S10 WeakPolarHBondContact O-CB 3.49Å; I7-S10 PolarHBondContact O-N 2.78Å; Y8-S10 VanDerWaalsContact C-N 3.27Å; Y8-S10 PolarHBondContact O-N 2.86Å; S10-F17 VanDerWaalsContact CB-CE1 3.4Å; S10-F17 WeakPolarHBondContact O-CZ 3.25Å; S10-F17 VanDerWaalsContact OG-CE1 3.25Å; S10-F17 WeakPolarHBondContact OG-CE1 3.37Å
11	Y	43.7	Very low	47.3	Very low	77 Å²	77	108.1 Å²	108.1	30%	0.302	56%	0.556	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.7	-9.9	-170	-147.8	-96.9	0	0	0	114.8	I7 Y8 T9 L40 K41 R42	I7-Y11 PolarHBondContact O-N 3.17Å; I7-Y11 VanDerWaalsContact O-N 3.11Å; Y8-Y11 PolarHBondContact O-N 3.1Å; Y8-Y11 VanDerWaalsContact O-N 3.1Å; T9-Y11 VanDerWaalsContact C-N 3.34Å; Y11-L40 HydrophobicContact CE2-CB 3.7Å; Y11-L40 HydrophobicContact CE2-CD2 3.71Å; Y11-L40 HydrophobicContact CE2-CG 3.94Å; Y11-L40 PolarHBondContact OH-O 3.45Å; Y11-K41 PolarHBondContact OH-O 2.91Å; Y11-R42 HydrophobicContact CE1-CB 4.05Å; Y11-R42 HydrophobicContact CE1-CG 3.98Å; Y11-R42 VanDerWaalsContact OH-CA 3.22Å; Y11-R42 WeakPolarHBondContact OH-CA 3.34Å; Y11-R42 PolarHBondContact OH-N 3.09Å; Y11-R42 VanDerWaalsContact OH-N 3.08Å
12	K	39.8	Very low	47.3	Very low	166 Å²	166	105.1 Å²	105.1	72%	0.722	53%	0.532	S	S	*	.	S	Bend	trans	-120.6	-3	-170.9	-106.8	-112.4	-177.5	172.1	0	114.9
13	E	38.7	Very low	47.3	Very low	163 Å²	163	106.5 Å²	106.5	76%	0.762	53%	0.534	S	S	*	.	S	Bend	trans	-110.8	111.1	174	-135.7	171.2	102.5	0	0	108.9	S15	E13-S15 PolarHBondContact O-N 3.02Å
14	K	44.3	Very low	47.3	Very low	197 Å²	197	106.5 Å²	106.5	86%	0.857	52%	0.522	S	S	*	.			trans	-16.8	94.7	174.1	-73	173	172.4	180	0	114.2	I16	K14-I16 VanDerWaalsContact C-N 3.33Å; K14-I16 PolarHBondContact O-N 2.65Å
15	S	46.1	Very low	47.1	Very low	42 Å²	42	106 Å²	106	29%	0.294	53%	0.528	S	S	.	.	S	Bend	trans	13.5	57.9	156.1	-53.1	0	0	0	0	118.1	E13 S37 S38 S39	E13-S15 PolarHBondContact O-N 3.02Å; S15-S37 VanDerWaalsContact CB-OG 3.26Å; S15-S37 WeakPolarHBondContact CB-OG 3.36Å; S15-S37 WeakPolarHBondContact O-CA 3.26Å; S15-S37 WeakPolarHBondContact O-CB 3.24Å; S15-S37 PolarHBondContact O-OG 2.94Å; S15-S38 WeakPolarHBondContact CB-O 3.43Å; S15-S38 PolarHBondContact OG-O 2.96Å; S15-S39 WeakPolarHBondContact CB-OG 3.48Å; S15-S39 PolarHBondContact OG-OG 3.36Å
16	I	51.5	Low	47.1	Very low	100 Å²	100	106.2 Å²	106.2	51%	0.513	53%	0.534	S	S	.	.			trans	-139.6	94.7	163.9	-56.1	176.8	0	0	0	106	K14 V19	K14-I16 VanDerWaalsContact C-N 3.33Å; K14-I16 PolarHBondContact O-N 2.65Å; I16-V19 HydrophobicContact CG2-CG2 3.32Å
17	F	56.5	Low	47.2	Very low	93 Å²	93	105.6 Å²	105.6	41%	0.408	55%	0.545	S	S	.	.			trans	-86.9	-21.7	-173	-82.4	-104.1	0	0	0	112.1	S10 L36 S38	S10-F17 VanDerWaalsContact CB-CE1 3.4Å; S10-F17 WeakPolarHBondContact O-CZ 3.25Å; S10-F17 VanDerWaalsContact OG-CE1 3.25Å; S10-F17 WeakPolarHBondContact OG-CE1 3.37Å; F17-L36 PolarHBondContact N-O 3.07Å; F17-S38 VanDerWaalsContact CD2-CB 3.45Å; F17-S38 WeakPolarHBondContact CE2-O 3.22Å
18	L	51.8	Low	47.2	Very low	103 Å²	103	108.9 Å²	108.9	54%	0.539	56%	0.561	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-159.4	124.8	179	-162.7	132.6	0	0	0	109.9	A20 L36	L18-A20 HydrophobicContact CD2-CB 3.87Å; L18-L36 HydrophobicContact CB-CB 4.27Å; L18-L36 PolarHBondContact N-O 2.96Å; L18-L36 PolarHBondContact O-N 3.16Å
19	V	51.3	Low	47.6	Very low	57 Å²	57	106.3 Å²	106.3	35%	0.345	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.3	104.6	167	-175.9	0	0	0	0	107	I16 H21 I33 W34 Q35	I16-V19 HydrophobicContact CG2-CG2 3.32Å; V19-H21 WeakPolarHBondContact CG1-NE2 3.34Å; V19-I33 HydrophobicContact CG1-CG2 3.64Å; V19-W34 CarbonylContact C-O 3.6Å; V19-W34 WeakPolarHBondContact CA-O 3.24Å; V19-Q35 HydrophobicContact CG1-CG 4.24Å; V19-Q35 HydrophobicContact CG2-CG 4.33Å
20	A	50.3	Low	48.4	Very low	42 Å²	42	105.4 Å²	105.4	35%	0.347	55%	0.55	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-88.9	108.5	173.3	0	0	0	0	0	108.3	L18 R22 W34	L18-A20 HydrophobicContact CD2-CB 3.87Å; A20-R22 PolarHBondContact O-N 3.45Å; A20-W34 HydrophobicContact CB-CB 4.29Å; A20-W34 PolarHBondContact N-O 2.86Å; A20-W34 PolarHBondContact O-N 3.44Å
21	H	51.1	Low	49.1	Very low	116 Å²	116	106.1 Å²	106.1	54%	0.537	55%	0.55	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	109.9	167.5	-71.1	-98.9	0	0	0	107.9	V19 K23	V19-H21 WeakPolarHBondContact CG1-NE2 3.34Å; H21-K23 VanDerWaalsContact C-N 3.34Å; H21-K23 PolarHBondContact O-N 3.28Å; H21-K23 VanDerWaalsContact O-N 3.13Å
22	R	46.2	Very low	50.1	Low	173 Å²	173	103.3 Å²	103.3	65%	0.653	54%	0.54	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.6	88.7	169.8	-166.5	175.5	-172.9	171.4	1.4	107.4	A20 D24 D32	A20-R22 PolarHBondContact O-N 3.45Å; R22-D24 PolarHBondContact O-N 2.71Å; R22-D32 PolarHBondContact N-O 2.73Å
23	K	43.8	Very low	51.6	Low	168 Å²	168	97.5 Å²	97.5	73%	0.73	52%	0.517	S	S	*	.			trans	-64.3	117.9	171.5	-89	-177.8	175.3	-175	0	109.4	H21 D31	H21-K23 VanDerWaalsContact C-N 3.34Å; H21-K23 PolarHBondContact O-N 3.28Å; H21-K23 VanDerWaalsContact O-N 3.13Å; K23-D31 WeakPolarHBondContact CA-OD1 3.1Å; K23-D31 VanDerWaalsContact CG-OD1 3.24Å; K23-D31 WeakPolarHBondContact CG-OD1 3.26Å
24	D	43.3	Very low	53.2	Low	50 Å²	50	91.6 Å²	91.6	27%	0.267	49%	0.487	S	S	.	.			trans	-64.6	130.8	170.5	-112	-85.4	0	0	0	109.1	R22 T26 R57	R22-D24 PolarHBondContact O-N 2.71Å; D24-T26 PolarHBondContact O-N 3.33Å; D24-R57 IonicContact OD1-NH2 3.38Å
25	P	46	Very low	54.4	Low	128 Å²	128	84.9 Å²	84.9	83%	0.831	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-8	-176.5	25.6	-33.1	0	0	0	114.1
26	T	49.1	Very low	55.6	Low	109 Å²	109	84 Å²	84	67%	0.669	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.3	-4.7	-170.8	-35.3	0	0	0	0	113.3	D24 M28	D24-T26 PolarHBondContact O-N 3.33Å; T26-M28 PolarHBondContact O-N 3.29Å; T26-M28 VanDerWaalsContact O-N 3.08Å
27	G	51.7	Low	56.6	Low	77 Å²	77	80.2 Å²	80.2	79%	0.794	43%	0.434	S	S	*	.	S	Bend	trans	61.3	18.2	172.1	0	0	0	0	0	116.4
28	M	49.3	Very low	57.3	Low	167 Å²	167	76.2 Å²	76.2	82%	0.823	42%	0.417	S	S	*	.			trans	-112.2	-14.8	-169.7	-157.2	173.9	-171.8	0	0	114.3	T26	T26-M28 PolarHBondContact O-N 3.29Å; T26-M28 VanDerWaalsContact O-N 3.08Å
29	D	53.2	Low	58.1	Low	59 Å²	59	73.4 Å²	73.4	32%	0.316	41%	0.406	S	S	.	.	S	Bend	trans	-123	150.9	-176.8	-72.1	-84	0	0	0	111.4	D31 R57	D29-D31 PolarHBondContact O-N 3.42Å; D29-R57 HydrophobicContact CB-CG 4.07Å; D29-R57 VanDerWaalsContact CG-NH2 3.26Å; D29-R57 IonicContact OD1-CZ 2.86Å; D29-R57 IonicContact OD1-NE 2.76Å; D29-R57 PolarHBondContact OD1-NE 3.08Å; D29-R57 IonicContact OD1-NH1 3.12Å; D29-R57 IonicContact OD1-NH2 2.92Å; D29-R57 IonicContact OD2-CZ 2.65Å; D29-R57 IonicContact OD2-NE 3.35Å; D29-R57 IonicContact OD2-NH1 3.98Å; D29-R57 PolarHBondContact OD2-NH1 3.06Å; D29-R57 IonicContact OD2-NH2 3.17Å; D29-R57 PolarHBondContact OD2-NH2 3.14Å
30	P	59.8	Low	59	Low	75 Å²	75	72.8 Å²	72.8	49%	0.487	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-64.7	138	178.4	-8	23.5	0	0	0	109.7	D32 G56	P30-D32 PolarHBondContact O-N 2.8Å; P30-G56 WeakPolarHBondContact CB-O 3.14Å; P30-G56 VanDerWaalsContact CG-O 3.24Å; P30-G56 WeakPolarHBondContact CG-O 3.21Å; P30-G56 WeakPolarHBondContact O-CA 3.49Å
31	D	62.8	Low	59.9	Low	66 Å²	66	78 Å²	78	35%	0.353	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-57	129.2	-175.8	-68	-93.9	0	0	0	112.1	K23 D29 G56	K23-D31 WeakPolarHBondContact CA-OD1 3.1Å; K23-D31 VanDerWaalsContact CG-OD1 3.24Å; K23-D31 WeakPolarHBondContact CG-OD1 3.26Å; D29-D31 PolarHBondContact O-N 3.42Å; D31-G56 WeakPolarHBondContact O-CA 3.43Å
32	D	66.1	Low	60.3	Low	18 Å²	18	79.5 Å²	79.5	10%	0.096	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	124.8	165.7	-73	-38.9	0	0	0	109	R22 P30 F53 I54 S55 G56	R22-D32 PolarHBondContact N-O 2.73Å; P30-D32 PolarHBondContact O-N 2.8Å; D32-F53 HydrophobicContact CB-CE2 3.86Å; D32-F53 HydrophobicContact CB-CZ 4.04Å; D32-I54 WeakPolarHBondContact CA-O 3.26Å; D32-S55 WeakPolarHBondContact OD1-CA 3.43Å; D32-S55 PolarHBondContact OD1-OG 2.76Å; D32-G56 PolarHBondContact OD1-N 3.43Å
33	I	71.8	Confident	60.9	Low	45 Å²	45	81.1 Å²	81.1	23%	0.231	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	124.6	-176.8	-52.5	174.7	0	0	0	109	V19 Q35 I54	V19-I33 HydrophobicContact CG1-CG2 3.64Å; I33-Q35 HydrophobicContact CG2-CG 3.75Å; I33-I54 HydrophobicContact CB-CB 4.22Å; I33-I54 PolarHBondContact N-O 3.49Å; I33-I54 PolarHBondContact O-N 2.82Å
34	W	70.9	Confident	62	Low	38 Å²	38	75.7 Å²	75.7	14%	0.144	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	120.1	166.2	-68.9	83.3	0	0	0	108.9	V19 A20 L51 T52 F53 L96	V19-W34 CarbonylContact C-O 3.6Å; V19-W34 WeakPolarHBondContact CA-O 3.24Å; A20-W34 HydrophobicContact CB-CB 4.29Å; A20-W34 PolarHBondContact N-O 2.86Å; A20-W34 PolarHBondContact O-N 3.44Å; W34-L51 HydrophobicContact CE3-CD1 3.96Å; W34-L51 HydrophobicContact CE3-CD2 3.94Å; W34-L51 HydrophobicContact CE3-CG 3.92Å; W34-L51 HydrophobicContact CZ3-CD2 3.8Å; W34-L51 HydrophobicContact CZ3-CG 4.12Å; W34-T52 CarbonylContact C-O 3.53Å; W34-F53 AromaticContact CD1-CD2 3.79Å; W34-F53 AromaticContact CD1-CE2 3.9Å; W34-F53 HydrophobicContact CD2-CB 4.25Å; W34-F53 AromaticContact CD2-CD2 3.39Å; W34-F53 HydrophobicContact CD2-CD2 3.39Å; W34-F53 HydrophobicContact CD2-CE2 4.14Å; W34-F53 HydrophobicContact CD2-CG 4.21Å; W34-F53 AromaticContact CE2-CD2 3.06Å; W34-F53 AromaticContact CE2-CE2 3.42Å; W34-F53 VanDerWaalsContact CE2-CE2 3.42Å; W34-F53 AromaticContact CE2-CG 3.98Å; W34-F53 HydrophobicContact CE3-CB 3.86Å; W34-F53 AromaticContact CE3-CD2 3.88Å; W34-F53 HydrophobicContact CE3-CD2 3.88Å; W34-F53 HydrophobicContact CE3-CG 4.26Å; W34-F53 AromaticContact CG-CD2 3.87Å; W34-F53 HydrophobicContact CG-CD2 3.87Å; W34-F53 HydrophobicContact CG-CE2 4.43Å; W34-F53 HydrophobicContact CH2-CB 4.03Å; W34-F53 AromaticContact CH2-CD2 3.85Å; W34-F53 HydrophobicContact CH2-CD2 3.85Å; W34-F53 AromaticContact CH2-CG 3.95Å; W34-F53 HydrophobicContact CH2-CG 3.95Å; W34-F53 HydrophobicContact CZ2-CB 4.37Å; W34-F53 AromaticContact CZ2-CD2 3.32Å; W34-F53 HydrophobicContact CZ2-CD2 3.32Å; W34-F53 AromaticContact CZ2-CE2 3.67Å; W34-F53 HydrophobicContact CZ2-CE2 3.67Å; W34-F53 AromaticContact CZ2-CG 3.85Å; W34-F53 HydrophobicContact CZ2-CG 3.85Å; W34-F53 HydrophobicContact CZ3-CB 3.76Å; W34-F53 HydrophobicContact CZ3-CD2 4.1Å; W34-F53 HydrophobicContact CZ3-CG 4.15Å; W34-F53 AromaticContact NE1-CD2 3.32Å; W34-F53 VanDerWaalsContact NE1-CD2 3.32Å; W34-F53 AromaticContact NE1-CE2 3.25Å; W34-L96 HydrophobicContact CH2-CB 4.18Å; W34-L96 HydrophobicContact CZ3-CB 4.07Å; W34-L96 HydrophobicContact CZ3-CD1 4.26Å
35	Q	70	Confident	63.4	Low	56 Å²	56	77.5 Å²	77.5	26%	0.262	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	122.2	175.1	-55.1	-171.6	-79.8	0	0	109.3	V19 I33 L51 T52	V19-Q35 HydrophobicContact CG1-CG 4.24Å; V19-Q35 HydrophobicContact CG2-CG 4.33Å; I33-Q35 HydrophobicContact CG2-CG 3.75Å; Q35-L51 WeakPolarHBondContact O-CA 3.27Å; Q35-T52 PolarHBondContact N-O 2.84Å; Q35-T52 PolarHBondContact O-N 3.45Å
36	L	71.3	Confident	64.8	Low	23 Å²	23	77.1 Å²	77.1	12%	0.12	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	117.6	171.5	-171.1	65.6	0	0	0	109.9	F17 L18 L49 L51 I89	F17-L36 PolarHBondContact N-O 3.07Å; L18-L36 HydrophobicContact CB-CB 4.27Å; L18-L36 PolarHBondContact N-O 2.96Å; L18-L36 PolarHBondContact O-N 3.16Å; L36-L49 HydrophobicContact CD1-CD1 4.48Å; L36-L49 HydrophobicContact CD1-CD2 3.35Å; L36-L49 HydrophobicContact CD1-CG 3.95Å; L36-L49 HydrophobicContact CG-CD2 4.4Å; L36-L51 HydrophobicContact CB-CD1 4.13Å; L36-L51 HydrophobicContact CD1-CB 3.97Å; L36-L51 HydrophobicContact CD1-CD1 3.74Å; L36-L51 HydrophobicContact CD1-CG 4.42Å; L36-I89 HydrophobicContact CD2-CD1 4.19Å
37	S	71.8	Confident	66.1	Low	22 Å²	22	73 Å²	73	15%	0.154	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	120.8	178.7	-177.8	0	0	0	0	109.1	S15 K50	S15-S37 VanDerWaalsContact CB-OG 3.26Å; S15-S37 WeakPolarHBondContact CB-OG 3.36Å; S15-S37 WeakPolarHBondContact O-CA 3.26Å; S15-S37 WeakPolarHBondContact O-CB 3.24Å; S15-S37 PolarHBondContact O-OG 2.94Å; S37-K50 WeakPolarHBondContact CA-O 3.27Å; S37-K50 PolarHBondContact N-O 3.45Å; S37-K50 PolarHBondContact O-N 3.46Å; S37-K50 VanDerWaalsContact O-O 3.13Å
38	S	70.9	Confident	67.4	Low	9 Å²	9	71 Å²	71	6%	0.063	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	129.3	174.6	144.3	0	0	0	0	108	S15 F17 Y47	S15-S38 WeakPolarHBondContact CB-O 3.43Å; S15-S38 PolarHBondContact OG-O 2.96Å; F17-S38 VanDerWaalsContact CD2-CB 3.45Å; F17-S38 WeakPolarHBondContact CE2-O 3.22Å; S38-Y47 WeakPolarHBondContact CB-OH 3.49Å; S38-Y47 WeakPolarHBondContact OG-CE2 3.46Å; S38-Y47 PolarHBondContact OG-OH 3.23Å
39	S	69.2	Low	68.7	Low	43 Å²	43	63 Å²	63	30%	0.301	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	121	-177.5	-62.7	0	0	0	0	109.3	S15 T48	S15-S39 WeakPolarHBondContact CB-OG 3.48Å; S15-S39 PolarHBondContact OG-OG 3.36Å; S39-T48 PolarHBondContact N-O 3.06Å; S39-T48 PolarHBondContact O-N 2.93Å; S39-T48 VanDerWaalsContact O-O 3.1Å
40	L	71.4	Confident	70.1	Confident	45 Å²	45	62.9 Å²	62.9	24%	0.236	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	126.9	169.5	-175.6	66.8	0	0	0	107.4	Y11 K46 Y47 I70	Y11-L40 HydrophobicContact CE2-CB 3.7Å; Y11-L40 HydrophobicContact CE2-CD2 3.71Å; Y11-L40 HydrophobicContact CE2-CG 3.94Å; Y11-L40 PolarHBondContact OH-O 3.45Å; L40-K46 WeakPolarHBondContact CD1-O 3.06Å; L40-Y47 HydrophobicContact CB-CD2 4.06Å; L40-Y47 HydrophobicContact CD1-CD2 4.18Å; L40-I70 HydrophobicContact CD1-CB 4.36Å; L40-I70 HydrophobicContact CD1-CD1 4.12Å; L40-I70 HydrophobicContact CD2-CD1 3.36Å; L40-I70 HydrophobicContact CG-CD1 4.35Å
41	K	68.6	Low	70.9	Confident	150 Å²	150	60 Å²	60	65%	0.652	28%	0.284	S	S	*	.			trans	-81	139.4	178.2	-171.7	176	-175.6	-178.5	0	109.8	Y11 F43 D44	Y11-K41 PolarHBondContact OH-O 2.91Å; K41-F43 PolarHBondContact O-N 2.81Å; K41-D44 HydrophobicContact CB-CB 3.73Å; K41-D44 HydrophobicContact CG-CB 4.32Å; K41-D44 WeakPolarHBondContact O-CB 3.45Å; K41-D44 PolarHBondContact O-N 3.25Å
42	R	59.4	Low	71.7	Confident	148 Å²	148	57.5 Å²	57.5	56%	0.558	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	127.2	-179.9	-146.9	171.2	-176.6	178.3	0.6	108.5	Y11 D44	Y11-R42 HydrophobicContact CE1-CB 4.05Å; Y11-R42 HydrophobicContact CE1-CG 3.98Å; Y11-R42 VanDerWaalsContact OH-CA 3.22Å; Y11-R42 WeakPolarHBondContact OH-CA 3.34Å; Y11-R42 PolarHBondContact OH-N 3.09Å; Y11-R42 VanDerWaalsContact OH-N 3.08Å; R42-D44 VanDerWaalsContact C-N 3.25Å; R42-D44 PolarHBondContact O-N 3.43Å
43	F	57.8	Low	72.1	Confident	208 Å²	208	56.9 Å²	56.9	91%	0.912	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.2	12.7	-175.4	-48.4	-82.3	0	0	0	116	K41	K41-F43 PolarHBondContact O-N 2.81Å
44	D	66.7	Low	72.4	Confident	54 Å²	54	56.2 Å²	56.2	29%	0.289	27%	0.265	S	S	.	.			trans	-109.7	138.1	173.4	-147.7	-50.8	0	0	0	108.4	K41 R42 K46	K41-D44 HydrophobicContact CB-CB 3.73Å; K41-D44 HydrophobicContact CG-CB 4.32Å; K41-D44 WeakPolarHBondContact O-CB 3.45Å; K41-D44 PolarHBondContact O-N 3.25Å; R42-D44 VanDerWaalsContact C-N 3.25Å; R42-D44 PolarHBondContact O-N 3.43Å; D44-K46 VanDerWaalsContact OD1-CB 3.27Å; D44-K46 WeakPolarHBondContact OD1-CB 3.34Å; D44-K46 VanDerWaalsContact OD1-CG 3.27Å; D44-K46 WeakPolarHBondContact OD1-CG 3.33Å; D44-K46 PolarHBondContact OD1-N 2.7Å
45	D	73	Confident	72.4	Confident	88 Å²	88	55 Å²	55	47%	0.471	26%	0.262	S	S	.	.			trans	-81.2	-8.5	172.2	65.8	-80.4	0	0	0	111.5	Y47 S69 I70	D45-Y47 PolarHBondContact O-N 2.87Å; D45-S69 CarbonylContact O-C 3.48Å; D45-S69 VanDerWaalsContact O-CA 3.24Å; D45-S69 WeakPolarHBondContact O-CA 2.97Å; D45-S69 WeakPolarHBondContact OD2-CB 3.25Å; D45-S69 PolarHBondContact OD2-OG 2.95Å; D45-I70 HydrophobicContact CB-CG2 4.47Å; D45-I70 WeakPolarHBondContact O-CG2 3.32Å; D45-I70 PolarHBondContact O-N 3.08Å
46	K	76.6	Confident	72.3	Confident	119 Å²	119	53 Å²	53	52%	0.517	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	106.5	179.7	-65.3	175.5	-175	177.3	0	112.1	L40 D44 T67	L40-K46 WeakPolarHBondContact CD1-O 3.06Å; D44-K46 VanDerWaalsContact OD1-CB 3.27Å; D44-K46 WeakPolarHBondContact OD1-CB 3.34Å; D44-K46 VanDerWaalsContact OD1-CG 3.27Å; D44-K46 WeakPolarHBondContact OD1-CG 3.33Å; D44-K46 PolarHBondContact OD1-N 2.7Å; K46-T67 HydrophobicContact CB-CG2 3.89Å; K46-T67 HydrophobicContact CD-CG2 4.49Å; K46-T67 HydrophobicContact CG-CG2 4.37Å
47	Y	76.3	Confident	72.1	Confident	24 Å²	24	58.5 Å²	58.5	9%	0.094	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	120.7	169.2	-174.7	-113	0	0	0	110.7	S38 L40 D45 L49 T67 K68 I70 F73 Y85	S38-Y47 WeakPolarHBondContact CB-OH 3.49Å; S38-Y47 WeakPolarHBondContact OG-CE2 3.46Å; S38-Y47 PolarHBondContact OG-OH 3.23Å; L40-Y47 HydrophobicContact CB-CD2 4.06Å; L40-Y47 HydrophobicContact CD1-CD2 4.18Å; D45-Y47 PolarHBondContact O-N 2.87Å; Y47-L49 HydrophobicContact CD1-CB 4.48Å; Y47-L49 HydrophobicContact CE1-CB 3.91Å; Y47-L49 HydrophobicContact CE1-CD1 3.74Å; Y47-L49 HydrophobicContact CE1-CG 4.44Å; Y47-T67 CarbonylContact O-C 3.5Å; Y47-T67 WeakPolarHBondContact O-CA 3.38Å; Y47-K68 WeakPolarHBondContact CA-O 3.2Å; Y47-K68 WeakPolarHBondContact CB-O 3.22Å; Y47-K68 PolarHBondContact N-O 2.84Å; Y47-K68 PolarHBondContact O-N 2.75Å; Y47-K68 VanDerWaalsContact O-O 3.07Å; Y47-I70 HydrophobicContact CD2-CD1 4.42Å; Y47-F73 HydrophobicContact CD1-CD2 4.33Å; Y47-F73 HydrophobicContact CD1-CE2 4.09Å; Y47-Y85 AromaticContact CE1-CE2 3.99Å; Y47-Y85 HydrophobicContact CE1-CE2 3.99Å
48	T	78.7	Confident	71.9	Confident	34 Å²	34	61.6 Å²	61.6	21%	0.209	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	122.5	176.2	-58.4	0	0	0	0	109.6	S39 F66 T67	S39-T48 PolarHBondContact N-O 3.06Å; S39-T48 PolarHBondContact O-N 2.93Å; S39-T48 VanDerWaalsContact O-O 3.1Å; T48-F66 WeakPolarHBondContact CA-O 3.39Å; T48-T67 PolarHBondContact OG1-OG1 2.78Å
49	L	77.4	Confident	71.8	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	123.7	176.1	-167.9	143	0	0	0	108.7	L36 Y47 E65 F66 Y85 I89 L92	L36-L49 HydrophobicContact CD1-CD1 4.48Å; L36-L49 HydrophobicContact CD1-CD2 3.35Å; L36-L49 HydrophobicContact CD1-CG 3.95Å; L36-L49 HydrophobicContact CG-CD2 4.4Å; Y47-L49 HydrophobicContact CD1-CB 4.48Å; Y47-L49 HydrophobicContact CE1-CB 3.91Å; Y47-L49 HydrophobicContact CE1-CD1 3.74Å; Y47-L49 HydrophobicContact CE1-CG 4.44Å; L49-E65 CarbonylContact O-C 3.44Å; L49-E65 WeakPolarHBondContact O-CA 3.37Å; L49-F66 HydrophobicContact CB-CD1 4.27Å; L49-F66 HydrophobicContact CB-CE1 3.79Å; L49-F66 HydrophobicContact CB-CE2 4.11Å; L49-F66 HydrophobicContact CB-CZ 3.68Å; L49-F66 HydrophobicContact CD1-CZ 4.3Å; L49-F66 HydrophobicContact CD2-CD1 4.37Å; L49-F66 HydrophobicContact CD2-CE1 3.68Å; L49-F66 HydrophobicContact CD2-CZ 4.2Å; L49-F66 HydrophobicContact CG-CE1 4.22Å; L49-F66 HydrophobicContact CG-CZ 4.29Å; L49-F66 PolarHBondContact N-O 3.02Å; L49-F66 PolarHBondContact O-N 3.44Å; L49-Y85 HydrophobicContact CD1-CE2 3.93Å; L49-Y85 WeakPolarHBondContact CD1-OH 3.16Å; L49-I89 HydrophobicContact CD1-CD1 4.34Å; L49-I89 HydrophobicContact CD1-CG1 4.46Å; L49-I89 HydrophobicContact CD2-CG1 4.47Å; L49-L92 HydrophobicContact CD2-CD2 3.45Å; L49-L92 VanDerWaalsContact CD2-CD2 3.45Å
50	K	80.7	Confident	71.9	Confident	55 Å²	55	72.4 Å²	72.4	24%	0.239	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	126.1	-177.3	170	177.7	-71.7	-143.4	0	109.1	S37 E63 A64 E65	S37-K50 WeakPolarHBondContact CA-O 3.27Å; S37-K50 PolarHBondContact N-O 3.45Å; S37-K50 PolarHBondContact O-N 3.46Å; S37-K50 VanDerWaalsContact O-O 3.13Å; K50-E63 WeakPolarHBondContact CD-OE1 3.27Å; K50-E63 IonicContact NZ-OE1 3.75Å; K50-E63 PolarHBondContact NZ-OE1 2.91Å; K50-A64 CarbonylContact C-O 3.56Å; K50-A64 WeakPolarHBondContact CA-O 3.33Å; K50-E65 HydrophobicContact CB-CB 3.92Å; K50-E65 WeakPolarHBondContact CE-OE1 3.49Å; K50-E65 HydrophobicContact CG-CB 4.34Å; K50-E65 IonicContact NZ-OE1 3.55Å; K50-E65 PolarHBondContact NZ-OE1 2.92Å
51	L	78.1	Confident	72	Confident	14 Å²	14	76.4 Å²	76.4	7%	0.073	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	119.8	172.8	-176	65.3	0	0	0	108	W34 Q35 L36 E63 A64 L92 H93 L96	W34-L51 HydrophobicContact CE3-CD1 3.96Å; W34-L51 HydrophobicContact CE3-CD2 3.94Å; W34-L51 HydrophobicContact CE3-CG 3.92Å; W34-L51 HydrophobicContact CZ3-CD2 3.8Å; W34-L51 HydrophobicContact CZ3-CG 4.12Å; Q35-L51 WeakPolarHBondContact O-CA 3.27Å; L36-L51 HydrophobicContact CB-CD1 4.13Å; L36-L51 HydrophobicContact CD1-CB 3.97Å; L36-L51 HydrophobicContact CD1-CD1 3.74Å; L36-L51 HydrophobicContact CD1-CG 4.42Å; L51-E63 WeakPolarHBondContact O-CA 3.49Å; L51-A64 PolarHBondContact N-O 3.32Å; L51-A64 PolarHBondContact O-N 2.9Å; L51-L92 HydrophobicContact CB-CD2 3.43Å; L51-L92 VanDerWaalsContact CB-CD2 3.43Å; L51-L92 HydrophobicContact CB-CG 4.1Å; L51-L92 HydrophobicContact CD2-CD2 4.46Å; L51-H93 HydrophobicContact CD2-CB 4.25Å; L51-L96 HydrophobicContact CB-CD1 3.73Å; L51-L96 HydrophobicContact CD2-CD1 3.56Å; L51-L96 HydrophobicContact CG-CD1 3.64Å; L51-L96 WeakPolarHBondContact O-CD1 3.39Å
52	T	78.2	Confident	72.4	Confident	14 Å²	14	72.1 Å²	72.1	9%	0.086	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	120.2	178	-53.7	0	0	0	0	108.4	W34 Q35 I54 R62 E63	W34-T52 CarbonylContact C-O 3.53Å; Q35-T52 PolarHBondContact N-O 2.84Å; Q35-T52 PolarHBondContact O-N 3.45Å; T52-I54 HydrophobicContact CG2-CD1 4.43Å; T52-I54 HydrophobicContact CG2-CG1 3.97Å; T52-R62 CarbonylContact C-O 3.54Å; T52-R62 VanDerWaalsContact CA-O 3.32Å; T52-R62 WeakPolarHBondContact CA-O 3.35Å; T52-E63 HydrophobicContact CG2-CG 3.8Å
53	F	76.1	Confident	73.4	Confident	6 Å²	6	70 Å²	70	3%	0.026	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	120.5	171.4	177.8	-112.4	0	0	0	109.5	D32 W34 Q61 R62 L96 R100	D32-F53 HydrophobicContact CB-CE2 3.86Å; D32-F53 HydrophobicContact CB-CZ 4.04Å; W34-F53 AromaticContact CD1-CD2 3.79Å; W34-F53 AromaticContact CD1-CE2 3.9Å; W34-F53 HydrophobicContact CD2-CB 4.25Å; W34-F53 AromaticContact CD2-CD2 3.39Å; W34-F53 HydrophobicContact CD2-CD2 3.39Å; W34-F53 HydrophobicContact CD2-CE2 4.14Å; W34-F53 HydrophobicContact CD2-CG 4.21Å; W34-F53 AromaticContact CE2-CD2 3.06Å; W34-F53 AromaticContact CE2-CE2 3.42Å; W34-F53 VanDerWaalsContact CE2-CE2 3.42Å; W34-F53 AromaticContact CE2-CG 3.98Å; W34-F53 HydrophobicContact CE3-CB 3.86Å; W34-F53 AromaticContact CE3-CD2 3.88Å; W34-F53 HydrophobicContact CE3-CD2 3.88Å; W34-F53 HydrophobicContact CE3-CG 4.26Å; W34-F53 AromaticContact CG-CD2 3.87Å; W34-F53 HydrophobicContact CG-CD2 3.87Å; W34-F53 HydrophobicContact CG-CE2 4.43Å; W34-F53 HydrophobicContact CH2-CB 4.03Å; W34-F53 AromaticContact CH2-CD2 3.85Å; W34-F53 HydrophobicContact CH2-CD2 3.85Å; W34-F53 AromaticContact CH2-CG 3.95Å; W34-F53 HydrophobicContact CH2-CG 3.95Å; W34-F53 HydrophobicContact CZ2-CB 4.37Å; W34-F53 AromaticContact CZ2-CD2 3.32Å; W34-F53 HydrophobicContact CZ2-CD2 3.32Å; W34-F53 AromaticContact CZ2-CE2 3.67Å; W34-F53 HydrophobicContact CZ2-CE2 3.67Å; W34-F53 AromaticContact CZ2-CG 3.85Å; W34-F53 HydrophobicContact CZ2-CG 3.85Å; W34-F53 HydrophobicContact CZ3-CB 3.76Å; W34-F53 HydrophobicContact CZ3-CD2 4.1Å; W34-F53 HydrophobicContact CZ3-CG 4.15Å; W34-F53 AromaticContact NE1-CD2 3.32Å; W34-F53 VanDerWaalsContact NE1-CD2 3.32Å; W34-F53 AromaticContact NE1-CE2 3.25Å; F53-Q61 CarbonylContact O-C 3.54Å; F53-Q61 WeakPolarHBondContact O-CA 3.23Å; F53-R62 HydrophobicContact CB-CB 4.43Å; F53-R62 PolarHBondContact N-O 3.4Å; F53-R62 PolarHBondContact O-N 3.19Å; F53-L96 HydrophobicContact CB-CD2 4.24Å; F53-R100 VanDerWaalsContact CE1-NH2 3.34Å
54	I	77.6	Confident	74.5	Confident	31 Å²	31	60.8 Å²	60.8	16%	0.159	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	110.5	176.8	-52.9	176.4	0	0	0	106.7	D32 I33 T52 G56 Q61	D32-I54 WeakPolarHBondContact CA-O 3.26Å; I33-I54 HydrophobicContact CB-CB 4.22Å; I33-I54 PolarHBondContact N-O 3.49Å; I33-I54 PolarHBondContact O-N 2.82Å; T52-I54 HydrophobicContact CG2-CD1 4.43Å; T52-I54 HydrophobicContact CG2-CG1 3.97Å; I54-G56 PolarHBondContact O-N 3.31Å; I54-Q61 HydrophobicContact CB-CG 4.5Å; I54-Q61 HydrophobicContact CG1-CG 4.05Å; I54-Q61 HydrophobicContact CG2-CG 4.17Å
55	S	71.7	Confident	75.2	Confident	13 Å²	13	63.4 Å²	63.4	9%	0.091	30%	0.302	C	S	.	.			trans	-78.2	126	175.8	-172	0	0	0	0	110.6	D32 T58 K59 Q60	D32-S55 WeakPolarHBondContact OD1-CA 3.43Å; D32-S55 PolarHBondContact OD1-OG 2.76Å; S55-T58 WeakPolarHBondContact CB-OG1 3.23Å; S55-K59 WeakPolarHBondContact O-CA 3.22Å; S55-K59 PolarHBondContact O-N 2.85Å; S55-Q60 PolarHBondContact N-O 2.77Å
56	G	66.8	Low	75.5	Confident	14 Å²	14	60.4 Å²	60.4	14%	0.144	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-36.7	179	0	0	0	0	0	112.4	P30 D31 D32 I54	P30-G56 WeakPolarHBondContact CB-O 3.14Å; P30-G56 VanDerWaalsContact CG-O 3.24Å; P30-G56 WeakPolarHBondContact CG-O 3.21Å; P30-G56 WeakPolarHBondContact O-CA 3.49Å; D31-G56 WeakPolarHBondContact O-CA 3.43Å; D32-G56 PolarHBondContact OD1-N 3.43Å; I54-G56 PolarHBondContact O-N 3.31Å
57	R	66.2	Low	75.7	Confident	138 Å²	138	58.3 Å²	58.3	52%	0.521	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-40.1	-177	-60.5	-175.5	-169.6	-141.8	-7.7	114.1	D24 D29	D24-R57 IonicContact OD1-NH2 3.38Å; D29-R57 HydrophobicContact CB-CG 4.07Å; D29-R57 VanDerWaalsContact CG-NH2 3.26Å; D29-R57 IonicContact OD1-CZ 2.86Å; D29-R57 IonicContact OD1-NE 2.76Å; D29-R57 PolarHBondContact OD1-NE 3.08Å; D29-R57 IonicContact OD1-NH1 3.12Å; D29-R57 IonicContact OD1-NH2 2.92Å; D29-R57 IonicContact OD2-CZ 2.65Å; D29-R57 IonicContact OD2-NE 3.35Å; D29-R57 IonicContact OD2-NH1 3.98Å; D29-R57 PolarHBondContact OD2-NH1 3.06Å; D29-R57 IonicContact OD2-NH2 3.17Å; D29-R57 PolarHBondContact OD2-NH2 3.14Å
58	T	68.9	Low	75.9	Confident	86 Å²	86	60.1 Å²	60.1	53%	0.528	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-6.3	-173.9	57.7	0	0	0	0	113.5	S55 Q60	S55-T58 WeakPolarHBondContact CB-OG1 3.23Å; T58-Q60 PolarHBondContact O-N 2.77Å; T58-Q60 PolarHBondContact OG1-N 3.14Å
59	K	67.6	Low	75.9	Confident	180 Å²	180	60.5 Å²	60.5	78%	0.783	30%	0.295	S	S	*	.			trans	53.1	12.6	-167.9	-64.5	-172.5	177.3	-177	0	114.3	S55 Q61	S55-K59 WeakPolarHBondContact O-CA 3.22Å; S55-K59 PolarHBondContact O-N 2.85Å; K59-Q61 PolarHBondContact O-N 2.76Å
60	Q	71.7	Confident	75.8	Confident	100 Å²	100	62.5 Å²	62.5	47%	0.467	31%	0.305	S	S	.	.			trans	-68.4	128	174.5	-81.7	-174.6	27.1	0	0	109.3	S55 T58	S55-Q60 PolarHBondContact N-O 2.77Å; T58-Q60 PolarHBondContact O-N 2.77Å; T58-Q60 PolarHBondContact OG1-N 3.14Å
61	Q	73.6	Confident	75.4	Confident	129 Å²	129	63.3 Å²	63.3	60%	0.603	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.7	131.8	168.3	-58.7	-169.9	-9.1	0	0	107.9	F53 I54 K59	F53-Q61 CarbonylContact O-C 3.54Å; F53-Q61 WeakPolarHBondContact O-CA 3.23Å; I54-Q61 HydrophobicContact CB-CG 4.5Å; I54-Q61 HydrophobicContact CG1-CG 4.05Å; I54-Q61 HydrophobicContact CG2-CG 4.17Å; K59-Q61 PolarHBondContact O-N 2.76Å
62	R	77.9	Confident	75.1	Confident	59 Å²	59	69.4 Å²	69.4	22%	0.223	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	134	172.2	-60.1	-175.2	-177.9	-163.8	-7.3	107.6	T52 F53 L96 E99	T52-R62 CarbonylContact C-O 3.54Å; T52-R62 VanDerWaalsContact CA-O 3.32Å; T52-R62 WeakPolarHBondContact CA-O 3.35Å; F53-R62 HydrophobicContact CB-CB 4.43Å; F53-R62 PolarHBondContact N-O 3.4Å; F53-R62 PolarHBondContact O-N 3.19Å; R62-L96 HydrophobicContact CB-CD2 3.55Å; R62-E99 PolarHBondContact NH1-O 3.38Å
63	E	79.6	Confident	74.7	Confident	105 Å²	105	68.9 Å²	68.9	49%	0.491	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	132.6	-180	-63.8	178.6	79.2	0	0	108	K50 L51 T52	K50-E63 WeakPolarHBondContact CD-OE1 3.27Å; K50-E63 IonicContact NZ-OE1 3.75Å; K50-E63 PolarHBondContact NZ-OE1 2.91Å; L51-E63 WeakPolarHBondContact O-CA 3.49Å; T52-E63 HydrophobicContact CG2-CG 3.8Å
64	A	80.5	Confident	74.4	Confident	14 Å²	14	71.7 Å²	71.7	12%	0.116	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	136.5	163.8	0	0	0	0	0	108.5	K50 L51 L92 L96	K50-A64 CarbonylContact C-O 3.56Å; K50-A64 WeakPolarHBondContact CA-O 3.33Å; L51-A64 PolarHBondContact N-O 3.32Å; L51-A64 PolarHBondContact O-N 2.9Å; A64-L92 HydrophobicContact CB-CD1 3.72Å; A64-L92 HydrophobicContact CB-CG 4.05Å; A64-L96 HydrophobicContact CB-CD1 3.5Å; A64-L96 HydrophobicContact CB-CD2 4.33Å; A64-L96 HydrophobicContact CB-CG 3.7Å
65	E	81.8	Confident	74.3	Confident	108 Å²	108	74.6 Å²	74.6	51%	0.505	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	146.3	176.2	62.4	178.1	87.4	0	0	110.9	L49 K50	L49-E65 CarbonylContact O-C 3.44Å; L49-E65 WeakPolarHBondContact O-CA 3.37Å; K50-E65 HydrophobicContact CB-CB 3.92Å; K50-E65 WeakPolarHBondContact CE-OE1 3.49Å; K50-E65 HydrophobicContact CG-CB 4.34Å; K50-E65 IonicContact NZ-OE1 3.55Å; K50-E65 PolarHBondContact NZ-OE1 2.92Å
66	F	79.4	Confident	74.2	Confident	25 Å²	25	83.8 Å²	83.8	11%	0.11	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	146.9	166.5	71.6	-100.4	0	0	0	109.9	T48 L49 K68 F73 E88 L92	T48-F66 WeakPolarHBondContact CA-O 3.39Å; L49-F66 HydrophobicContact CB-CD1 4.27Å; L49-F66 HydrophobicContact CB-CE1 3.79Å; L49-F66 HydrophobicContact CB-CE2 4.11Å; L49-F66 HydrophobicContact CB-CZ 3.68Å; L49-F66 HydrophobicContact CD1-CZ 4.3Å; L49-F66 HydrophobicContact CD2-CD1 4.37Å; L49-F66 HydrophobicContact CD2-CE1 3.68Å; L49-F66 HydrophobicContact CD2-CZ 4.2Å; L49-F66 HydrophobicContact CG-CE1 4.22Å; L49-F66 HydrophobicContact CG-CZ 4.29Å; L49-F66 PolarHBondContact N-O 3.02Å; L49-F66 PolarHBondContact O-N 3.44Å; F66-K68 HydrophobicContact CD2-CB 4.21Å; F66-K68 HydrophobicContact CD2-CD 4.39Å; F66-K68 HydrophobicContact CD2-CG 4.06Å; F66-K68 HydrophobicContact CE2-CB 4.4Å; F66-F73 HydrophobicContact CE2-CE2 4.25Å; F66-F73 AromaticContact CE2-CZ 3.81Å; F66-F73 HydrophobicContact CE2-CZ 3.81Å; F66-F73 HydrophobicContact CZ-CZ 4.27Å; F66-E88 HydrophobicContact CE1-CB 4.09Å; F66-E88 HydrophobicContact CE2-CB 4.48Å; F66-E88 HydrophobicContact CZ-CB 3.86Å; F66-L92 HydrophobicContact CD1-CB 4.44Å; F66-L92 HydrophobicContact CD1-CD1 3.76Å; F66-L92 HydrophobicContact CD1-CD2 4.05Å; F66-L92 HydrophobicContact CD1-CG 4.32Å; F66-L92 HydrophobicContact CE1-CD2 4.24Å
67	T	81.6	Confident	74.3	Confident	75 Å²	75	88.3 Å²	88.3	46%	0.46	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	119.8	172	-62.5	0	0	0	0	108.7	K46 Y47 T48	K46-T67 HydrophobicContact CB-CG2 3.89Å; K46-T67 HydrophobicContact CD-CG2 4.49Å; K46-T67 HydrophobicContact CG-CG2 4.37Å; Y47-T67 CarbonylContact O-C 3.5Å; Y47-T67 WeakPolarHBondContact O-CA 3.38Å; T48-T67 PolarHBondContact OG1-OG1 2.78Å
68	K	80.4	Confident	74.2	Confident	62 Å²	62	84.2 Å²	84.2	27%	0.27	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	157.2	178.8	-78.9	-167.1	172.5	179	0	110.9	Y47 F66 I70 F73 E88	Y47-K68 WeakPolarHBondContact CA-O 3.2Å; Y47-K68 WeakPolarHBondContact CB-O 3.22Å; Y47-K68 PolarHBondContact N-O 2.84Å; Y47-K68 PolarHBondContact O-N 2.75Å; Y47-K68 VanDerWaalsContact O-O 3.07Å; F66-K68 HydrophobicContact CD2-CB 4.21Å; F66-K68 HydrophobicContact CD2-CD 4.39Å; F66-K68 HydrophobicContact CD2-CG 4.06Å; F66-K68 HydrophobicContact CE2-CB 4.4Å; K68-I70 PolarHBondContact O-N 2.99Å; K68-F73 HydrophobicContact CB-CE2 3.84Å; K68-F73 HydrophobicContact CB-CZ 4.17Å; K68-F73 HydrophobicContact CD-CZ 4.28Å; K68-E88 VanDerWaalsContact CD-OE2 3.26Å; K68-E88 WeakPolarHBondContact CD-OE2 3.45Å; K68-E88 WeakPolarHBondContact CE-OE2 3.41Å; K68-E88 IonicContact NZ-OE1 3.5Å; K68-E88 PolarHBondContact NZ-OE1 3.22Å; K68-E88 IonicContact NZ-OE2 3.81Å; K68-E88 PolarHBondContact NZ-OE2 3.46Å
69	S	79.1	Confident	74.3	Confident	43 Å²	43	84.2 Å²	84.2	30%	0.301	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	132	176.5	-169.4	0	0	0	0	110.4	D45 A71 K72	D45-S69 CarbonylContact O-C 3.48Å; D45-S69 VanDerWaalsContact O-CA 3.24Å; D45-S69 WeakPolarHBondContact O-CA 2.97Å; D45-S69 WeakPolarHBondContact OD2-CB 3.25Å; D45-S69 PolarHBondContact OD2-OG 2.95Å; S69-A71 PolarHBondContact O-N 3.07Å; S69-K72 VanDerWaalsContact O-CB 3.26Å; S69-K72 WeakPolarHBondContact O-CB 3.47Å; S69-K72 PolarHBondContact O-N 2.98Å
70	I	73.5	Confident	74.4	Confident	41 Å²	41	78.6 Å²	78.6	21%	0.21	42%	0.422	C	S	.	.	G	3₁₀ helix	trans	-62.9	-26.8	178.4	-164.7	159.3	0	0	0	111.9	L40 D45 Y47 K68 K72 F73 F74	L40-I70 HydrophobicContact CD1-CB 4.36Å; L40-I70 HydrophobicContact CD1-CD1 4.12Å; L40-I70 HydrophobicContact CD2-CD1 3.36Å; L40-I70 HydrophobicContact CG-CD1 4.35Å; D45-I70 HydrophobicContact CB-CG2 4.47Å; D45-I70 WeakPolarHBondContact O-CG2 3.32Å; D45-I70 PolarHBondContact O-N 3.08Å; Y47-I70 HydrophobicContact CD2-CD1 4.42Å; K68-I70 PolarHBondContact O-N 2.99Å; I70-K72 PolarHBondContact O-N 3.17Å; I70-K72 VanDerWaalsContact O-N 3.09Å; I70-F73 PolarHBondContact O-N 3.29Å; I70-F74 HydrophobicContact CD1-CD2 4.03Å; I70-F74 HydrophobicContact CD1-CE2 3.6Å; I70-F74 HydrophobicContact CD1-CZ 4.41Å; I70-F74 HydrophobicContact CG1-CD2 3.37Å; I70-F74 HydrophobicContact CG1-CE2 3.43Å; I70-F74 VanDerWaalsContact CG1-CE2 3.43Å; I70-F74 HydrophobicContact CG1-CG 4.49Å; I70-F74 WeakPolarHBondContact O-CD2 3.45Å; I70-F74 PolarHBondContact O-N 2.94Å; I70-F74 VanDerWaalsContact O-N 3.1Å
71	A	72.5	Confident	74.5	Confident	73 Å²	73	75.5 Å²	75.5	60%	0.603	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-60	-19.8	173.3	0	0	0	0	0	112.9	S69 F73	S69-A71 PolarHBondContact O-N 3.07Å; A71-F73 VanDerWaalsContact C-N 3.33Å
72	K	72.2	Confident	74.3	Confident	141 Å²	141	74.3 Å²	74.3	61%	0.613	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-79.6	-18.7	175	-162.5	164.7	-175.9	164.2	0	113.2	S69 I70	S69-K72 VanDerWaalsContact O-CB 3.26Å; S69-K72 WeakPolarHBondContact O-CB 3.47Å; S69-K72 PolarHBondContact O-N 2.98Å; I70-K72 PolarHBondContact O-N 3.17Å; I70-K72 VanDerWaalsContact O-N 3.09Å
73	F	70.1	Confident	74.1	Confident	4 Å²	4	78.1 Å²	78.1	2%	0.018	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105	-11.7	179.5	-57.9	-71.5	0	0	0	112.6	Y47 F66 K68 I70 A71 L80 V81 A84 Y85 E88	Y47-F73 HydrophobicContact CD1-CD2 4.33Å; Y47-F73 HydrophobicContact CD1-CE2 4.09Å; F66-F73 HydrophobicContact CE2-CE2 4.25Å; F66-F73 AromaticContact CE2-CZ 3.81Å; F66-F73 HydrophobicContact CE2-CZ 3.81Å; F66-F73 HydrophobicContact CZ-CZ 4.27Å; K68-F73 HydrophobicContact CB-CE2 3.84Å; K68-F73 HydrophobicContact CB-CZ 4.17Å; K68-F73 HydrophobicContact CD-CZ 4.28Å; I70-F73 PolarHBondContact O-N 3.29Å; A71-F73 VanDerWaalsContact C-N 3.33Å; F73-L80 HydrophobicContact CB-CD1 3.89Å; F73-L80 CarbonylContact O-C 3.55Å; F73-L80 WeakPolarHBondContact O-CA 3.46Å; F73-V81 PolarHBondContact O-N 2.82Å; F73-A84 HydrophobicContact CD1-CB 4.34Å; F73-A84 WeakPolarHBondContact CE1-O 3.26Å; F73-Y85 AromaticContact CD1-CD2 3.87Å; F73-Y85 HydrophobicContact CD1-CD2 3.87Å; F73-Y85 HydrophobicContact CD1-CG 4.45Å; F73-Y85 HydrophobicContact CE1-CD2 4.1Å; F73-Y85 HydrophobicContact CG-CD2 4.36Å; F73-E88 HydrophobicContact CE1-CB 4.26Å; F73-E88 HydrophobicContact CE1-CG 3.93Å; F73-E88 HydrophobicContact CZ-CB 4.48Å; F73-E88 HydrophobicContact CZ-CG 4.18Å
74	F	70.6	Confident	73.8	Confident	65 Å²	65	74.5 Å²	74.5	29%	0.285	42%	0.419	S	S	.	.	B	Isolated β-bridge	trans	-119.1	125.4	-179.2	-76.4	-100.4	0	0	0	110.5	I70 T79 L80	I70-F74 HydrophobicContact CD1-CD2 4.03Å; I70-F74 HydrophobicContact CD1-CE2 3.6Å; I70-F74 HydrophobicContact CD1-CZ 4.41Å; I70-F74 HydrophobicContact CG1-CD2 3.37Å; I70-F74 HydrophobicContact CG1-CE2 3.43Å; I70-F74 VanDerWaalsContact CG1-CE2 3.43Å; I70-F74 HydrophobicContact CG1-CG 4.49Å; I70-F74 WeakPolarHBondContact O-CD2 3.45Å; I70-F74 PolarHBondContact O-N 2.94Å; I70-F74 VanDerWaalsContact O-N 3.1Å; F74-T79 WeakPolarHBondContact CA-O 3.37Å; F74-L80 HydrophobicContact CD2-CD1 3.95Å; F74-L80 HydrophobicContact CE1-CB 4.24Å; F74-L80 HydrophobicContact CE1-CD1 4.36Å; F74-L80 HydrophobicContact CE2-CD1 3.43Å; F74-L80 VanDerWaalsContact CE2-CD1 3.43Å; F74-L80 HydrophobicContact CZ-CB 4.3Å; F74-L80 HydrophobicContact CZ-CD1 3.68Å
75	D	73.6	Confident	73.4	Confident	91 Å²	91	75.7 Å²	75.7	49%	0.487	42%	0.42	S	S	.	.			trans	-70	165.6	170.4	-85.6	-50.3	0	0	0	111.5	S77 G78 T79 V81	D75-S77 PolarHBondContact O-N 3.32Å; D75-G78 WeakPolarHBondContact O-CA 3.11Å; D75-G78 PolarHBondContact O-N 3.26Å; D75-T79 PolarHBondContact N-O 3.19Å; D75-V81 HydrophobicContact CB-CG2 4.25Å; D75-V81 WeakPolarHBondContact OD2-CG2 3.35Å
76	H	70.3	Confident	73	Confident	207 Å²	207	76.3 Å²	76.3	96%	0.958	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-20.5	176.6	-65.4	83.6	0	0	0	113.6	G78	H76-G78 VanDerWaalsContact C-N 3.3Å
77	S	69.6	Low	73	Confident	108 Å²	108	77.8 Å²	77.8	76%	0.755	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	3.7	174.4	-54.2	0	0	0	0	113.9	D75 T79	D75-S77 PolarHBondContact O-N 3.32Å; S77-T79 VanDerWaalsContact C-N 3.27Å; S77-T79 PolarHBondContact O-N 2.82Å
78	G	63.9	Low	72.7	Confident	52 Å²	52	75.3 Å²	75.3	54%	0.536	42%	0.419	S	S	.	.	S	Bend	trans	70.7	21.1	-178	0	0	0	0	0	113.9	D75 H76	D75-G78 WeakPolarHBondContact O-CA 3.11Å; D75-G78 PolarHBondContact O-N 3.26Å; H76-G78 VanDerWaalsContact C-N 3.3Å
79	T	70.9	Confident	72.4	Confident	86 Å²	86	74.7 Å²	74.7	53%	0.528	42%	0.418	S	S	.	.			trans	-95	133.1	178	-57.8	0	0	0	0	109.6	F74 D75 S77 V81	F74-T79 WeakPolarHBondContact CA-O 3.37Å; D75-T79 PolarHBondContact N-O 3.19Å; S77-T79 VanDerWaalsContact C-N 3.27Å; S77-T79 PolarHBondContact O-N 2.82Å; T79-V81 PolarHBondContact O-N 3.38Å
80	L	69.1	Low	72.4	Confident	62 Å²	62	76.2 Å²	76.2	33%	0.325	43%	0.429	S	S	.	.	B	Isolated β-bridge	trans	-69.8	120.5	174.8	-174.2	78.5	0	0	0	109.3	F73 F74 M82	F73-L80 HydrophobicContact CB-CD1 3.89Å; F73-L80 CarbonylContact O-C 3.55Å; F73-L80 WeakPolarHBondContact O-CA 3.46Å; F74-L80 HydrophobicContact CD2-CD1 3.95Å; F74-L80 HydrophobicContact CE1-CB 4.24Å; F74-L80 HydrophobicContact CE1-CD1 4.36Å; F74-L80 HydrophobicContact CE2-CD1 3.43Å; F74-L80 VanDerWaalsContact CE2-CD1 3.43Å; F74-L80 HydrophobicContact CZ-CB 4.3Å; F74-L80 HydrophobicContact CZ-CD1 3.68Å; L80-M82 HydrophobicContact CD2-SD 3.95Å; L80-M82 PolarHBondContact O-N 2.91Å; L80-M82 VanDerWaalsContact O-N 3.16Å
81	V	75.3	Confident	72.7	Confident	35 Å²	35	82.3 Å²	82.3	21%	0.212	45%	0.449	C	S	.	.			trans	-80.4	93.6	177.1	-169.9	0	0	0	0	108.5	F73 D75 T79 D83 A84 Y85	F73-V81 PolarHBondContact O-N 2.82Å; D75-V81 HydrophobicContact CB-CG2 4.25Å; D75-V81 WeakPolarHBondContact OD2-CG2 3.35Å; T79-V81 PolarHBondContact O-N 3.38Å; V81-D83 HydrophobicContact CG1-CB 4.06Å; V81-D83 PolarHBondContact O-N 3.1Å; V81-A84 HydrophobicContact CB-CB 4.14Å; V81-A84 HydrophobicContact CG1-CB 4.02Å; V81-A84 PolarHBondContact O-N 3.32Å; V81-A84 VanDerWaalsContact O-N 3.08Å; V81-Y85 WeakPolarHBondContact O-CB 3.32Å; V81-Y85 PolarHBondContact O-N 2.73Å; V81-Y85 VanDerWaalsContact O-N 3.09Å
82	M	68.8	Low	73	Confident	105 Å²	105	79.5 Å²	79.5	52%	0.517	42%	0.424	S	S	.	.	H	α-helix	trans	-56.7	-36.2	177.1	-65.8	-68.5	-88.6	0	0	111.3	L80 A84 Y85 E86	L80-M82 HydrophobicContact CD2-SD 3.95Å; L80-M82 PolarHBondContact O-N 2.91Å; L80-M82 VanDerWaalsContact O-N 3.16Å; M82-A84 VanDerWaalsContact C-N 3.26Å; M82-A84 PolarHBondContact O-N 3.47Å; M82-Y85 PolarHBondContact O-N 2.77Å; M82-E86 WeakPolarHBondContact O-CB 3.39Å; M82-E86 WeakPolarHBondContact O-CG 3.49Å; M82-E86 PolarHBondContact O-N 3.11Å
83	D	73.6	Confident	73.2	Confident	139 Å²	139	77.2 Å²	77.2	74%	0.743	42%	0.415	S	S	*	.	H	α-helix	trans	-59.1	-32.5	177	-166.8	-97.9	0	0	0	113.6	V81 P87	V81-D83 HydrophobicContact CG1-CB 4.06Å; V81-D83 PolarHBondContact O-N 3.1Å; D83-P87 WeakPolarHBondContact O-CD 3.34Å; D83-P87 WeakPolarHBondContact O-CG 3.5Å
84	A	72.4	Confident	73.6	Confident	29 Å²	29	81.4 Å²	81.4	24%	0.24	44%	0.438	C	S	.	.	H	α-helix	trans	-87	-26.3	174.9	0	0	0	0	0	112.6	F73 V81 M82 E88	F73-A84 HydrophobicContact CD1-CB 4.34Å; F73-A84 WeakPolarHBondContact CE1-O 3.26Å; V81-A84 HydrophobicContact CB-CB 4.14Å; V81-A84 HydrophobicContact CG1-CB 4.02Å; V81-A84 PolarHBondContact O-N 3.32Å; V81-A84 VanDerWaalsContact O-N 3.08Å; M82-A84 VanDerWaalsContact C-N 3.26Å; M82-A84 PolarHBondContact O-N 3.47Å; A84-E88 WeakPolarHBondContact O-CG 3.09Å
85	Y	72.7	Confident	73.9	Confident	39 Å²	39	81.2 Å²	81.2	15%	0.153	44%	0.444	C	S	.	.	H	α-helix	trans	-85.8	-45	-174.8	-173.7	-103.5	0	0	0	113.2	Y47 L49 F73 V81 M82 E88 I89	Y47-Y85 AromaticContact CE1-CE2 3.99Å; Y47-Y85 HydrophobicContact CE1-CE2 3.99Å; L49-Y85 HydrophobicContact CD1-CE2 3.93Å; L49-Y85 WeakPolarHBondContact CD1-OH 3.16Å; F73-Y85 AromaticContact CD1-CD2 3.87Å; F73-Y85 HydrophobicContact CD1-CD2 3.87Å; F73-Y85 HydrophobicContact CD1-CG 4.45Å; F73-Y85 HydrophobicContact CE1-CD2 4.1Å; F73-Y85 HydrophobicContact CG-CD2 4.36Å; V81-Y85 WeakPolarHBondContact O-CB 3.32Å; V81-Y85 PolarHBondContact O-N 2.73Å; V81-Y85 VanDerWaalsContact O-N 3.09Å; M82-Y85 PolarHBondContact O-N 2.77Å; Y85-E88 PolarHBondContact O-N 2.79Å; Y85-I89 HydrophobicContact CD1-CD1 4.03Å; Y85-I89 HydrophobicContact CD1-CG1 4.38Å; Y85-I89 HydrophobicContact CE1-CD1 3.26Å; Y85-I89 HydrophobicContact CE1-CG1 3.99Å; Y85-I89 HydrophobicContact CE2-CD1 4.46Å; Y85-I89 PolarHBondContact O-N 3.13Å; Y85-I89 VanDerWaalsContact O-N 3.07Å
86	E	73.4	Confident	74	Confident	120 Å²	120	77 Å²	77	56%	0.561	42%	0.422	S	S	*	.	H	α-helix	trans	-54.3	-48.8	176.9	-74.8	-178.3	81.8	0	0	114	M82 E88 I89 S90	M82-E86 WeakPolarHBondContact O-CB 3.39Å; M82-E86 WeakPolarHBondContact O-CG 3.49Å; M82-E86 PolarHBondContact O-N 3.11Å; E86-E88 PolarHBondContact O-N 2.89Å; E86-I89 PolarHBondContact O-N 2.75Å; E86-S90 VanDerWaalsContact O-CB 3.26Å; E86-S90 WeakPolarHBondContact O-CB 3.38Å; E86-S90 PolarHBondContact O-N 2.6Å
87	P	78.7	Confident	73.9	Confident	57 Å²	57	68.9 Å²	68.9	37%	0.37	39%	0.39	S	S	.	.	H	α-helix	trans	-66.4	-26.4	179.5	26.2	-35.9	0	0	0	112.5	D83 R91	D83-P87 WeakPolarHBondContact O-CD 3.34Å; D83-P87 WeakPolarHBondContact O-CG 3.5Å; P87-R91 VanDerWaalsContact O-CB 3.25Å; P87-R91 WeakPolarHBondContact O-CB 3.4Å; P87-R91 WeakPolarHBondContact O-CG 3.45Å; P87-R91 PolarHBondContact O-N 3.29Å
88	E	76.3	Confident	73.5	Confident	23 Å²	23	67 Å²	67	11%	0.107	37%	0.374	C	S	.	.	H	α-helix	trans	-75.7	-41.1	177.8	-67.1	-71.1	128.3	0	0	111.4	F66 K68 F73 A84 Y85 E86 R91 L92	F66-E88 HydrophobicContact CE1-CB 4.09Å; F66-E88 HydrophobicContact CE2-CB 4.48Å; F66-E88 HydrophobicContact CZ-CB 3.86Å; K68-E88 VanDerWaalsContact CD-OE2 3.26Å; K68-E88 WeakPolarHBondContact CD-OE2 3.45Å; K68-E88 WeakPolarHBondContact CE-OE2 3.41Å; K68-E88 IonicContact NZ-OE1 3.5Å; K68-E88 PolarHBondContact NZ-OE1 3.22Å; K68-E88 IonicContact NZ-OE2 3.81Å; K68-E88 PolarHBondContact NZ-OE2 3.46Å; F73-E88 HydrophobicContact CE1-CB 4.26Å; F73-E88 HydrophobicContact CE1-CG 3.93Å; F73-E88 HydrophobicContact CZ-CB 4.48Å; F73-E88 HydrophobicContact CZ-CG 4.18Å; A84-E88 WeakPolarHBondContact O-CG 3.09Å; Y85-E88 PolarHBondContact O-N 2.79Å; E86-E88 PolarHBondContact O-N 2.89Å; E88-R91 PolarHBondContact O-N 2.86Å; E88-R91 IonicContact OE1-NH1 3.36Å; E88-R91 PolarHBondContact OE1-NH1 3.01Å; E88-L92 WeakPolarHBondContact O-CB 3.48Å; E88-L92 PolarHBondContact O-N 2.92Å
89	I	74.2	Confident	73	Confident	48 Å²	48	69 Å²	69	25%	0.246	37%	0.369	C	S	.	.	H	α-helix	trans	-64.8	-43.8	169.6	-68.6	-161.6	0	0	0	110.9	L36 L49 Y85 E86 R91 L92 H93	L36-I89 HydrophobicContact CD2-CD1 4.19Å; L49-I89 HydrophobicContact CD1-CD1 4.34Å; L49-I89 HydrophobicContact CD1-CG1 4.46Å; L49-I89 HydrophobicContact CD2-CG1 4.47Å; Y85-I89 HydrophobicContact CD1-CD1 4.03Å; Y85-I89 HydrophobicContact CD1-CG1 4.38Å; Y85-I89 HydrophobicContact CE1-CD1 3.26Å; Y85-I89 HydrophobicContact CE1-CG1 3.99Å; Y85-I89 HydrophobicContact CE2-CD1 4.46Å; Y85-I89 PolarHBondContact O-N 3.13Å; Y85-I89 VanDerWaalsContact O-N 3.07Å; E86-I89 PolarHBondContact O-N 2.75Å; I89-R91 VanDerWaalsContact C-N 3.31Å; I89-R91 PolarHBondContact O-N 2.77Å; I89-L92 PolarHBondContact O-N 2.85Å; I89-L92 VanDerWaalsContact O-N 3.16Å; I89-H93 WeakPolarHBondContact O-CB 3.39Å; I89-H93 PolarHBondContact O-N 2.9Å
90	S	77.9	Confident	72.1	Confident	76 Å²	76	71.7 Å²	71.7	53%	0.531	37%	0.37	S	S	.	.	H	α-helix	trans	-60	-43	178.4	-172.3	0	0	0	0	111	E86 H93 D94	E86-S90 VanDerWaalsContact O-CB 3.26Å; E86-S90 WeakPolarHBondContact O-CB 3.38Å; E86-S90 PolarHBondContact O-N 2.6Å; S90-H93 PolarHBondContact O-N 2.9Å; S90-D94 VanDerWaalsContact O-CB 3.24Å; S90-D94 WeakPolarHBondContact O-CB 3.37Å; S90-D94 PolarHBondContact O-N 2.78Å
91	R	80.7	Confident	70.8	Confident	169 Å²	169	77.4 Å²	77.4	64%	0.638	39%	0.392	S	S	*	.	H	α-helix	trans	-61.8	-43.2	172.3	-84.4	174.6	155.5	166.6	-2.6	113.2	P87 E88 I89 D94 S95	P87-R91 VanDerWaalsContact O-CB 3.25Å; P87-R91 WeakPolarHBondContact O-CB 3.4Å; P87-R91 WeakPolarHBondContact O-CG 3.45Å; P87-R91 PolarHBondContact O-N 3.29Å; E88-R91 PolarHBondContact O-N 2.86Å; E88-R91 IonicContact OE1-NH1 3.36Å; E88-R91 PolarHBondContact OE1-NH1 3.01Å; I89-R91 VanDerWaalsContact C-N 3.31Å; I89-R91 PolarHBondContact O-N 2.77Å; R91-D94 PolarHBondContact O-N 2.8Å; R91-S95 WeakPolarHBondContact O-CB 3.24Å; R91-S95 PolarHBondContact O-N 3.36Å
92	L	78.3	Confident	69	Low	14 Å²	14	82.5 Å²	82.5	7%	0.073	42%	0.417	C	S	.	.	H	α-helix	trans	-64.9	-43.8	179.5	-158.2	72.6	0	0	0	110.9	L49 L51 A64 F66 E88 I89 S95 L96	L49-L92 HydrophobicContact CD2-CD2 3.45Å; L49-L92 VanDerWaalsContact CD2-CD2 3.45Å; L51-L92 HydrophobicContact CB-CD2 3.43Å; L51-L92 VanDerWaalsContact CB-CD2 3.43Å; L51-L92 HydrophobicContact CB-CG 4.1Å; L51-L92 HydrophobicContact CD2-CD2 4.46Å; A64-L92 HydrophobicContact CB-CD1 3.72Å; A64-L92 HydrophobicContact CB-CG 4.05Å; F66-L92 HydrophobicContact CD1-CB 4.44Å; F66-L92 HydrophobicContact CD1-CD1 3.76Å; F66-L92 HydrophobicContact CD1-CD2 4.05Å; F66-L92 HydrophobicContact CD1-CG 4.32Å; F66-L92 HydrophobicContact CE1-CD2 4.24Å; E88-L92 WeakPolarHBondContact O-CB 3.48Å; E88-L92 PolarHBondContact O-N 2.92Å; I89-L92 PolarHBondContact O-N 2.85Å; I89-L92 VanDerWaalsContact O-N 3.16Å; L92-S95 PolarHBondContact O-N 3Å; L92-L96 PolarHBondContact O-N 3.05Å; L92-L96 VanDerWaalsContact O-N 3.14Å
93	H	76.1	Confident	67.2	Low	92 Å²	92	90.3 Å²	90.3	43%	0.426	45%	0.448	S	S	.	.	H	α-helix	trans	-64.8	-44.8	174.7	177.5	-86	0	0	0	111.7	L51 I89 S90 S95 L96 A97	L51-H93 HydrophobicContact CD2-CB 4.25Å; I89-H93 WeakPolarHBondContact O-CB 3.39Å; I89-H93 PolarHBondContact O-N 2.9Å; S90-H93 PolarHBondContact O-N 2.9Å; H93-S95 VanDerWaalsContact C-N 3.35Å; H93-L96 PolarHBondContact O-N 2.89Å; H93-A97 VanDerWaalsContact O-CB 3.23Å; H93-A97 WeakPolarHBondContact O-CB 3.34Å; H93-A97 PolarHBondContact O-N 3.49Å
94	D	79.3	Confident	66.9	Low	93 Å²	93	87.9 Å²	87.9	50%	0.497	43%	0.433	S	S	.	.	H	α-helix	trans	-63.9	-39	176.6	-167	-88	0	0	0	111.3	S90 R91 L96 A97 T98	S90-D94 VanDerWaalsContact O-CB 3.24Å; S90-D94 WeakPolarHBondContact O-CB 3.37Å; S90-D94 PolarHBondContact O-N 2.78Å; R91-D94 PolarHBondContact O-N 2.8Å; D94-L96 PolarHBondContact O-N 2.81Å; D94-A97 PolarHBondContact O-N 2.91Å; D94-T98 WeakPolarHBondContact O-CA 3.46Å; D94-T98 WeakPolarHBondContact O-CB 3.24Å; D94-T98 PolarHBondContact O-N 3.45Å; D94-T98 PolarHBondContact O-OG1 3.25Å; D94-T98 PolarHBondContact OD1-OG1 2.76Å
95	S	77.7	Confident	66.6	Low	61 Å²	61	91 Å²	91	43%	0.427	44%	0.443	S	S	.	.	H	α-helix	trans	-58.5	-47.5	174.3	-166.7	0	0	0	0	111.4	R91 L92 H93 E99	R91-S95 WeakPolarHBondContact O-CB 3.24Å; R91-S95 PolarHBondContact O-N 3.36Å; L92-S95 PolarHBondContact O-N 3Å; H93-S95 VanDerWaalsContact C-N 3.35Å; S95-E99 PolarHBondContact O-N 3.5Å; S95-E99 VanDerWaalsContact O-N 3.14Å
96	L	74.8	Confident	66.2	Low	3 Å²	3	93.9 Å²	93.9	2%	0.016	46%	0.46	C	S	.	.	H	α-helix	trans	-68.3	-35.1	177.5	-84.8	150.2	0	0	0	113.1	W34 L51 F53 R62 A64 L92 H93 D94	W34-L96 HydrophobicContact CH2-CB 4.18Å; W34-L96 HydrophobicContact CZ3-CB 4.07Å; W34-L96 HydrophobicContact CZ3-CD1 4.26Å; L51-L96 HydrophobicContact CB-CD1 3.73Å; L51-L96 HydrophobicContact CD2-CD1 3.56Å; L51-L96 HydrophobicContact CG-CD1 3.64Å; L51-L96 WeakPolarHBondContact O-CD1 3.39Å; F53-L96 HydrophobicContact CB-CD2 4.24Å; R62-L96 HydrophobicContact CB-CD2 3.55Å; A64-L96 HydrophobicContact CB-CD1 3.5Å; A64-L96 HydrophobicContact CB-CD2 4.33Å; A64-L96 HydrophobicContact CB-CG 3.7Å; L92-L96 PolarHBondContact O-N 3.05Å; L92-L96 VanDerWaalsContact O-N 3.14Å; H93-L96 PolarHBondContact O-N 2.89Å; D94-L96 PolarHBondContact O-N 2.81Å
97	A	68.8	Low	65.8	Low	36 Å²	36	92.4 Å²	92.4	30%	0.298	45%	0.454	S	S	.	.	H	α-helix	trans	-77.3	-38.5	178.8	0	0	0	0	0	112.5	H93 D94 E99 R100	H93-A97 VanDerWaalsContact O-CB 3.23Å; H93-A97 WeakPolarHBondContact O-CB 3.34Å; H93-A97 PolarHBondContact O-N 3.49Å; D94-A97 PolarHBondContact O-N 2.91Å; A97-E99 VanDerWaalsContact C-N 3.34Å; A97-R100 VanDerWaalsContact O-CB 3.27Å; A97-R100 WeakPolarHBondContact O-CB 3.37Å; A97-R100 PolarHBondContact O-N 3.37Å
98	T	60.6	Low	65	Low	67 Å²	67	94.6 Å²	94.6	41%	0.411	46%	0.459	S	S	.	.	H	α-helix	trans	-71.5	-29.7	179.3	-67.6	0	0	0	0	111.1	D94 R100 K101	D94-T98 WeakPolarHBondContact O-CA 3.46Å; D94-T98 WeakPolarHBondContact O-CB 3.24Å; D94-T98 PolarHBondContact O-N 3.45Å; D94-T98 PolarHBondContact O-OG1 3.25Å; D94-T98 PolarHBondContact OD1-OG1 2.76Å; T98-R100 PolarHBondContact O-N 3.49Å; T98-R100 VanDerWaalsContact O-N 3.08Å; T98-K101 WeakPolarHBondContact O-CB 3.18Å; T98-K101 PolarHBondContact O-N 2.97Å
99	E	54	Low	64.3	Low	94 Å²	94	99.3 Å²	99.3	44%	0.439	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-10.5	166.5	-96.6	-173	75.6	0	0	114.1	R62 S95 A97 K101	R62-E99 PolarHBondContact NH1-O 3.38Å; S95-E99 PolarHBondContact O-N 3.5Å; S95-E99 VanDerWaalsContact O-N 3.14Å; A97-E99 VanDerWaalsContact C-N 3.34Å; E99-K101 VanDerWaalsContact C-N 3.3Å
100	R	52.2	Low	63.6	Low	143 Å²	143	103 Å²	103	54%	0.54	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-14.4	166.9	-69.6	-174.3	165.3	-165.3	-4.3	113.1	F53 A97 T98	F53-R100 VanDerWaalsContact CE1-NH2 3.34Å; A97-R100 VanDerWaalsContact O-CB 3.27Å; A97-R100 WeakPolarHBondContact O-CB 3.37Å; A97-R100 PolarHBondContact O-N 3.37Å; T98-R100 PolarHBondContact O-N 3.49Å; T98-R100 VanDerWaalsContact O-N 3.08Å
101	K	41.8	Very low	62.5	Low	183 Å²	183	105.1 Å²	105.1	80%	0.796	50%	0.497	S	S	*	.	S	Bend	trans	-95.2	-3.5	-176.7	-78.6	-166.2	175	-173.6	0	115	T98 E99 K103	T98-K101 WeakPolarHBondContact O-CB 3.18Å; T98-K101 PolarHBondContact O-N 2.97Å; E99-K101 VanDerWaalsContact C-N 3.3Å; K101-K103 VanDerWaalsContact C-N 3.34Å; K101-K103 PolarHBondContact O-N 3.08Å
102	I	35.7	Very low	60.9	Low	141 Å²	141	99.8 Å²	99.8	72%	0.723	49%	0.485	S	S	*	.			trans	-88	86	175.8	-52.5	173.6	0	0	0	108.7
103	K	32	Very low	59.4	Low	270 Å²	270	107.5 Å²	107.5	100%	1.174	52%	0.522	S	S	*	.			trans	18.8	0	146.7	-136.8	179.3	-174.4	-170.6	0	119.5	K101	K101-K103 VanDerWaalsContact C-N 3.34Å; K101-K103 PolarHBondContact O-N 3.08Å

Retrieved 103 of 103 residues in 56.6 ms (Link to these results)

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