A0A087X582_POEFO Loading...

Cytochrome b5 type B

AlphaFold DB , UniProt , Accession A0A087X582, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 157 aa.

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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	46.8	Very low	44.7	Very low	252 Å²	252	160.1 Å²	160.1	100%	1.241	89%	0.892	S	S	*	*				0	109	0	-85.9	163.7	175.8	0	0	107
2	G	48	Very low	44.1	Very low	84 Å²	84	152.7 Å²	152.7	87%	0.866	88%	0.879	S	S	*	*			trans	90.6	85.9	167.4	0	0	0	0	0	115.6
3	E	44.2	Very low	43.7	Very low	202 Å²	202	149.3 Å²	149.3	94%	0.944	87%	0.87	S	S	*	*			trans	-92	125.1	160.2	-71.9	166.9	83.1	0	0	108.3
4	E	44.5	Very low	43.9	Very low	184 Å²	184	147.1 Å²	147.1	86%	0.86	86%	0.859	S	S	*	*			trans	-142.8	119.2	165	-108.1	-170.1	91.6	0	0	108.1
5	I	57.3	Low	43.8	Very low	176 Å²	176	147.2 Å²	147.2	90%	0.903	85%	0.854	S	S	*	*			trans	-157.2	135.4	133.9	44.2	170.6	0	0	0	110.6
6	N	42.8	Very low	43.3	Very low	156 Å²	156	144.3 Å²	144.3	83%	0.834	84%	0.839	S	S	*	*			trans	-46.7	143.4	178.7	-80.5	-18.7	0	0	0	116.8
7	E	41.6	Very low	43.4	Very low	190 Å²	190	145.7 Å²	145.7	89%	0.888	84%	0.843	S	S	*	*			trans	-139	129.7	140	-75.9	-168.1	108.8	0	0	111.8
8	H	46.7	Very low	43.2	Very low	194 Å²	194	141.7 Å²	141.7	90%	0.898	83%	0.825	S	S	*	*			trans	-102.6	106.5	176.3	-166.3	78.2	0	0	0	107.8
9	T	45.7	Very low	43.3	Very low	129 Å²	129	141.7 Å²	141.7	79%	0.791	82%	0.821	S	S	*	*			trans	-137.9	134.7	165.5	63	0	0	0	0	105.1
10	G	34.5	Very low	43.2	Very low	69 Å²	69	142.7 Å²	142.7	71%	0.711	82%	0.818	S	S	*	*			cis	133.8	123.8	22.5	0	0	0	0	0	106.1
11	S	39.3	Very low	43.6	Very low	125 Å²	125	142.5 Å²	142.5	87%	0.874	81%	0.814	S	S	*	*			trans	77.7	100	162	-115.2	0	0	0	0	119.2
12	G	37.4	Very low	43.4	Very low	71 Å²	71	135.9 Å²	135.9	73%	0.732	78%	0.784	S	S	*	*			trans	-65.7	133.1	150.7	0	0	0	0	0	110.1	V14	G12-V14 PolarHBondContact O-N 3.08Å
13	S	38.7	Very low	43.3	Very low	109 Å²	109	135.1 Å²	135.1	76%	0.762	78%	0.777	S	S	*	*			trans	-88.9	95.4	174.1	-144.6	0	0	0	0	108.3
14	V	46.8	Very low	43.1	Very low	118 Å²	118	132.9 Å²	132.9	72%	0.715	77%	0.766	S	S	*	*			trans	-77.5	113.3	162.9	170.7	0	0	0	0	106.3	G12 T16	G12-V14 PolarHBondContact O-N 3.08Å; V14-T16 PolarHBondContact O-N 3.36Å; V14-T16 VanDerWaalsContact O-N 3.08Å
15	N	42	Very low	43.2	Very low	149 Å²	149	129.7 Å²	129.7	80%	0.797	76%	0.759	S	S	*	*			trans	-76.7	88.9	171.6	-69.6	-38.4	0	0	0	108.8	N17	N15-N17 PolarHBondContact O-N 3.22Å
16	T	37.2	Very low	42.8	Very low	100 Å²	100	125.9 Å²	125.9	61%	0.613	75%	0.754	S	S	*	*			trans	-84.8	94.5	170.7	-29.5	0	0	0	0	108.4	V14 S18	V14-T16 PolarHBondContact O-N 3.36Å; V14-T16 VanDerWaalsContact O-N 3.08Å; T16-S18 VanDerWaalsContact CG2-OG 3.31Å; T16-S18 WeakPolarHBondContact CG2-OG 3.16Å; T16-S18 PolarHBondContact O-N 3.47Å; T16-S18 VanDerWaalsContact O-N 3.08Å
17	N	43.6	Very low	42.9	Very low	169 Å²	169	126.2 Å²	126.2	90%	0.904	76%	0.756	S	S	*	*			trans	-77.4	81.4	159.4	-94.9	5.6	0	0	0	107.4	N15 N19	N15-N17 PolarHBondContact O-N 3.22Å; N17-N19 PolarHBondContact O-N 3.14Å; N17-N19 VanDerWaalsContact O-N 3.13Å
18	S	40.4	Very low	43.7	Very low	74 Å²	74	121.6 Å²	121.6	52%	0.517	76%	0.76	S	S	.	*			trans	-74.8	93.8	167.6	-55.2	0	0	0	0	107.9	T16 E20	T16-S18 VanDerWaalsContact CG2-OG 3.31Å; T16-S18 WeakPolarHBondContact CG2-OG 3.16Å; T16-S18 PolarHBondContact O-N 3.47Å; T16-S18 VanDerWaalsContact O-N 3.08Å; S18-E20 PolarHBondContact O-N 3.34Å
19	N	45.5	Very low	44.9	Very low	141 Å²	141	115.1 Å²	115.1	75%	0.754	75%	0.745	S	S	*	*			trans	-74.1	81.2	158.8	-169.9	23.6	0	0	0	106.6	N17 N21	N17-N19 PolarHBondContact O-N 3.14Å; N17-N19 VanDerWaalsContact O-N 3.13Å; N19-N21 PolarHBondContact O-N 3.37Å; N19-N21 VanDerWaalsContact O-N 3.07Å
20	E	41.2	Very low	46.8	Very low	161 Å²	161	112 Å²	112	75%	0.752	73%	0.726	S	S	*	*			trans	-77.3	91.7	176.7	-81.6	173.3	134	0	0	109	S18 N22	S18-E20 PolarHBondContact O-N 3.34Å; E20-N22 PolarHBondContact O-N 3.09Å
21	N	50.8	Low	49.5	Very low	139 Å²	139	111 Å²	111	74%	0.743	70%	0.702	S	S	*	*			trans	-45.9	100.7	147.8	-67.8	-41.7	0	0	0	108.5	N19	N19-N21 PolarHBondContact O-N 3.37Å; N19-N21 VanDerWaalsContact O-N 3.07Å
22	N	42.4	Very low	52.1	Low	113 Å²	113	110.3 Å²	110.3	60%	0.604	68%	0.681	S	S	*	*			trans	-112.5	71	172.6	-150.3	-12.5	0	0	0	111	E20 E24	E20-N22 PolarHBondContact O-N 3.09Å; N22-E24 VanDerWaalsContact C-N 3.26Å; N22-E24 PolarHBondContact O-N 2.94Å; N22-E24 WeakPolarHBondContact OD1-CB 3.49Å; N22-E24 WeakPolarHBondContact OD1-CG 3.43Å; N22-E24 PolarHBondContact OD1-OE2 3.29Å
23	G	46.6	Very low	54.8	Low	69 Å²	69	109 Å²	109	71%	0.711	65%	0.654	S	S	*	*			trans	-77.7	74	159.6	0	0	0	0	0	110.4
24	E	41.1	Very low	57.4	Low	155 Å²	155	106.7 Å²	106.7	72%	0.724	64%	0.636	S	S	*	*			trans	-121	110.8	167	-77.7	176.4	60.6	0	0	108.4	N22 K31	N22-E24 VanDerWaalsContact C-N 3.26Å; N22-E24 PolarHBondContact O-N 2.94Å; N22-E24 WeakPolarHBondContact OD1-CB 3.49Å; N22-E24 WeakPolarHBondContact OD1-CG 3.43Å; N22-E24 PolarHBondContact OD1-OE2 3.29Å; E24-K31 WeakPolarHBondContact O-CE 3.33Å; E24-K31 PolarHBondContact O-NZ 3.33Å
25	T	45.2	Very low	59.6	Low	116 Å²	116	104.7 Å²	104.7	71%	0.712	62%	0.62	S	S	*	*			trans	-93.7	109.8	165.1	34.9	0	0	0	0	107.8	K31	T25-K31 HydrophobicContact CG2-CD 3.78Å; T25-K31 VanDerWaalsContact CG2-NZ 3.33Å
26	A	48.4	Very low	61.9	Low	97 Å²	97	102.4 Å²	102.4	80%	0.802	61%	0.605	S	S	*	*			trans	-148.6	133.1	145.1	0	0	0	0	0	106.9
27	D	44.9	Very low	64.6	Low	162 Å²	162	101.5 Å²	101.5	87%	0.866	59%	0.594	S	S	*	*	S	Bend	trans	91.1	91.8	180	-151.8	-104.1	0	0	0	116.3	G29	D27-G29 PolarHBondContact O-N 3.02Å
28	G	58.7	Low	67	Low	94 Å²	94	93.5 Å²	93.5	97%	0.969	55%	0.551	S	S	*	*	S	Bend	trans	51.8	-0.4	140.2	0	0	0	0	0	121.9
29	G	72.6	Confident	69.5	Low	57 Å²	57	96.3 Å²	96.3	59%	0.588	55%	0.55	S	S	*	*			trans	-105.3	129.4	-173.5	0	0	0	0	0	111.6	D27 K31	D27-G29 PolarHBondContact O-N 3.02Å; G29-K31 PolarHBondContact O-N 3.37Å
30	T	84.8	Confident	71.8	Confident	63 Å²	63	95.4 Å²	95.4	39%	0.387	54%	0.543	S	S	.	.			trans	-58.8	118.2	167	-62.1	0	0	0	0	109.4	Y32 Y101 E104	T30-Y32 HydrophobicContact CG2-CE1 4.19Å; T30-Y32 HydrophobicContact CG2-CE2 4.2Å; T30-Y32 VanDerWaalsContact O-CD2 3.29Å; T30-Y32 WeakPolarHBondContact O-CD2 3.27Å; T30-Y32 VanDerWaalsContact O-CE2 3.26Å; T30-Y32 WeakPolarHBondContact O-CE2 3.39Å; T30-Y101 WeakPolarHBondContact CG2-OH 3.45Å; T30-E104 HydrophobicContact CG2-CB 3.97Å; T30-E104 HydrophobicContact CG2-CG 3.59Å
31	K	92.6	Very high	74.3	Confident	48 Å²	48	88.9 Å²	88.9	21%	0.209	51%	0.512	C	S	.	.			trans	-72	141.2	169.6	-72.9	-175.1	166.9	-175.8	0	109.5	E24 T25 G29 Y33 G103 E104	E24-K31 WeakPolarHBondContact O-CE 3.33Å; E24-K31 PolarHBondContact O-NZ 3.33Å; T25-K31 HydrophobicContact CG2-CD 3.78Å; T25-K31 VanDerWaalsContact CG2-NZ 3.33Å; G29-K31 PolarHBondContact O-N 3.37Å; K31-Y33 HydrophobicContact CB-CE2 3.77Å; K31-G103 CarbonylContact O-C 3.58Å; K31-G103 WeakPolarHBondContact O-CA 3.13Å; K31-E104 PolarHBondContact O-N 3.08Å
32	Y	93.1	Very high	76.2	Confident	112 Å²	112	86.1 Å²	86.1	44%	0.439	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	132.3	176.4	-64.5	-87.3	0	0	0	110	T30 E104	T30-Y32 HydrophobicContact CG2-CE1 4.19Å; T30-Y32 HydrophobicContact CG2-CE2 4.2Å; T30-Y32 VanDerWaalsContact O-CD2 3.29Å; T30-Y32 WeakPolarHBondContact O-CD2 3.27Å; T30-Y32 VanDerWaalsContact O-CE2 3.26Å; T30-Y32 WeakPolarHBondContact O-CE2 3.39Å; Y32-E104 CarbonylContact C-O 3.53Å; Y32-E104 WeakPolarHBondContact CA-O 3.42Å; Y32-E104 HydrophobicContact CD1-CB 4.11Å; Y32-E104 HydrophobicContact CE1-CB 4.12Å
33	Y	93.9	Very high	78.5	Confident	44 Å²	44	86.1 Å²	86.1	17%	0.173	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	146.6	176.5	-54.5	-97.6	0	0	0	109.9	K31 E37 W48 I55 I102 E104 L105 H106	K31-Y33 HydrophobicContact CB-CE2 3.77Å; Y33-E37 HydrophobicContact CD1-CG 4.12Å; Y33-W48 HydrophobicContact CD1-CH2 4.07Å; Y33-W48 AromaticContact CD1-CZ3 3.7Å; Y33-W48 HydrophobicContact CD1-CZ3 3.7Å; Y33-W48 AromaticContact CE1-CH2 3.7Å; Y33-W48 HydrophobicContact CE1-CH2 3.7Å; Y33-W48 AromaticContact CE1-CZ3 3.8Å; Y33-W48 HydrophobicContact CE1-CZ3 3.8Å; Y33-W48 HydrophobicContact CG-CZ3 4.21Å; Y33-I55 HydrophobicContact CD2-CD1 3.74Å; Y33-I55 HydrophobicContact CG-CD1 3.99Å; Y33-I102 HydrophobicContact CE2-CD1 4.25Å; Y33-I102 HydrophobicContact CE2-CG1 4.18Å; Y33-E104 PolarHBondContact N-O 2.95Å; Y33-L105 CarbonylContact O-C 3.59Å; Y33-L105 WeakPolarHBondContact O-CA 3.41Å; Y33-H106 WeakPolarHBondContact O-CB 3.08Å; Y33-H106 PolarHBondContact O-N 3.27Å
34	T	93.7	Very high	80.5	Confident	60 Å²	60	86.4 Å²	86.4	37%	0.368	49%	0.487	S	S	.	.			trans	-80.5	161.8	175.4	59.7	0	0	0	0	110.4	E36 E37 V38 H106	T34-E36 VanDerWaalsContact C-N 3.25Å; T34-E36 PolarHBondContact O-N 2.91Å; T34-E37 PolarHBondContact O-N 3.35Å; T34-E37 WeakPolarHBondContact OG1-CB 3.34Å; T34-E37 PolarHBondContact OG1-N 2.92Å; T34-V38 WeakPolarHBondContact O-CG2 3.31Å; T34-V38 PolarHBondContact O-N 3.2Å; T34-H106 HydrophobicContact CG2-CB 4.22Å
35	L	91.8	Very high	82.8	Confident	75 Å²	75	84.6 Å²	84.6	39%	0.393	48%	0.482	S	S	.	.	H	α-helix	trans	-60.6	-38.7	176.2	-173.4	70.9	0	0	0	111.8	E37 V38 R39 I50 L105 D109	L35-E37 VanDerWaalsContact C-N 3.33Å; L35-E37 PolarHBondContact O-N 2.9Å; L35-V38 PolarHBondContact O-N 3.48Å; L35-R39 WeakPolarHBondContact O-CB 3.36Å; L35-R39 PolarHBondContact O-N 3.36Å; L35-I50 HydrophobicContact CD1-CD1 3.61Å; L35-L105 HydrophobicContact CB-CD1 4.4Å; L35-L105 HydrophobicContact CD1-CD1 4.49Å; L35-D109 HydrophobicContact CB-CB 3.99Å
36	E	92.3	Very high	85.1	Confident	101 Å²	101	81.4 Å²	81.4	47%	0.472	46%	0.46	S	S	.	.	H	α-helix	trans	-65.1	-38	179.5	-173.5	61.5	-172	0	0	112	T34 R39 M40	T34-E36 VanDerWaalsContact C-N 3.25Å; T34-E36 PolarHBondContact O-N 2.91Å; E36-R39 WeakPolarHBondContact O-CB 3.31Å; E36-R39 PolarHBondContact O-N 3.49Å; E36-R39 IonicContact OE1-CZ 3.45Å; E36-R39 IonicContact OE1-NE 2.77Å; E36-R39 IonicContact OE1-NH2 2.84Å; E36-R39 PolarHBondContact OE1-NH2 2.86Å; E36-R39 IonicContact OE2-CZ 3.79Å; E36-R39 IonicContact OE2-NE 2.76Å; E36-R39 PolarHBondContact OE2-NE 3.39Å; E36-R39 IonicContact OE2-NH2 3.78Å; E36-R39 PolarHBondContact OE2-NH2 3Å; E36-M40 WeakPolarHBondContact O-CG 3.38Å; E36-M40 PolarHBondContact O-N 3.44Å
37	E	92.9	Very high	87.3	Confident	82 Å²	82	76.8 Å²	76.8	38%	0.383	42%	0.422	S	S	.	.	H	α-helix	trans	-61.6	-52.6	174.9	-173.6	69	179.6	0	0	110.1	Y33 T34 L35 R39 M40 H41	Y33-E37 HydrophobicContact CD1-CG 4.12Å; T34-E37 PolarHBondContact O-N 3.35Å; T34-E37 WeakPolarHBondContact OG1-CB 3.34Å; T34-E37 PolarHBondContact OG1-N 2.92Å; L35-E37 VanDerWaalsContact C-N 3.33Å; L35-E37 PolarHBondContact O-N 2.9Å; E37-R39 PolarHBondContact O-N 3.06Å; E37-M40 WeakPolarHBondContact O-CB 3.29Å; E37-M40 PolarHBondContact O-N 3.33Å; E37-H41 PolarHBondContact O-CD2 3.09Å; E37-H41 IonicContact OE1-NE2 2.97Å
38	V	93.9	Very high	89.8	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-57.3	-37.5	179.5	-179.4	0	0	0	0	111.6	T34 L35 M40 H41 W48 I50 I55 G77	T34-V38 WeakPolarHBondContact O-CG2 3.31Å; T34-V38 PolarHBondContact O-N 3.2Å; L35-V38 PolarHBondContact O-N 3.48Å; V38-M40 PolarHBondContact O-N 3.28Å; V38-H41 WeakPolarHBondContact O-CB 3.21Å; V38-H41 PolarHBondContact O-N 3.41Å; V38-W48 HydrophobicContact CG1-CB 4.11Å; V38-W48 HydrophobicContact CG2-CE3 4.28Å; V38-I50 HydrophobicContact CB-CD1 4.23Å; V38-I50 HydrophobicContact CB-CG1 4.47Å; V38-I50 HydrophobicContact CG1-CD1 3.9Å; V38-I50 HydrophobicContact CG1-CG1 3.74Å; V38-I50 HydrophobicContact CG2-CD1 4.36Å; V38-I50 HydrophobicContact CG2-CG1 4.43Å; V38-I55 HydrophobicContact CG2-CD1 3.52Å; V38-I55 HydrophobicContact CG2-CG1 4.17Å; V38-I55 HydrophobicContact CG2-CG2 4.17Å; V38-G77 WeakPolarHBondContact O-CA 3.41Å
39	R	93.4	Very high	91.5	Very high	133 Å²	133	66 Å²	66	50%	0.502	34%	0.341	S	S	.	.	H	α-helix	trans	-62.8	-23.7	179.7	-162.6	172.1	72.7	110.7	5.1	114	L35 E36 E37 H41 N42 G77	L35-R39 WeakPolarHBondContact O-CB 3.36Å; L35-R39 PolarHBondContact O-N 3.36Å; E36-R39 WeakPolarHBondContact O-CB 3.31Å; E36-R39 PolarHBondContact O-N 3.49Å; E36-R39 IonicContact OE1-CZ 3.45Å; E36-R39 IonicContact OE1-NE 2.77Å; E36-R39 IonicContact OE1-NH2 2.84Å; E36-R39 PolarHBondContact OE1-NH2 2.86Å; E36-R39 IonicContact OE2-CZ 3.79Å; E36-R39 IonicContact OE2-NE 2.76Å; E36-R39 PolarHBondContact OE2-NE 3.39Å; E36-R39 IonicContact OE2-NH2 3.78Å; E36-R39 PolarHBondContact OE2-NH2 3Å; E37-R39 PolarHBondContact O-N 3.06Å; R39-H41 VanDerWaalsContact C-N 3.28Å; R39-N42 PolarHBondContact O-ND2 3.47Å; R39-G77 VanDerWaalsContact CA-O 3.32Å; R39-G77 WeakPolarHBondContact CA-O 3.28Å
40	M	93.8	Very high	92.6	Very high	122 Å²	122	63.3 Å²	63.3	60%	0.601	31%	0.313	S	S	*	.	H	α-helix	trans	-72.8	-23.1	174.9	-62.9	-66.6	-69.7	0	0	112.3	E36 E37 V38 N42	E36-M40 WeakPolarHBondContact O-CG 3.38Å; E36-M40 PolarHBondContact O-N 3.44Å; E37-M40 WeakPolarHBondContact O-CB 3.29Å; E37-M40 PolarHBondContact O-N 3.33Å; V38-M40 PolarHBondContact O-N 3.28Å; M40-N42 PolarHBondContact O-N 2.79Å
41	H	93	Very high	93.1	Very high	25 Å²	25	60.6 Å²	60.6	12%	0.116	30%	0.296	C	S	.	.			trans	-93.4	68.5	-179.5	-61.2	-84.8	0	0	0	111.1	E37 V38 R39 D46 T47 W48 G77	E37-H41 PolarHBondContact O-CD2 3.09Å; E37-H41 IonicContact OE1-NE2 2.97Å; V38-H41 WeakPolarHBondContact O-CB 3.21Å; V38-H41 PolarHBondContact O-N 3.41Å; R39-H41 VanDerWaalsContact C-N 3.28Å; H41-D46 CarbonylContact C-O 2.96Å; H41-D46 WeakPolarHBondContact CA-O 3.39Å; H41-D46 IonicContact CE1-OD1 3.07Å; H41-D46 PolarHBondContact CE1-OD1 3.13Å; H41-D46 IonicContact CE1-OD2 3.35Å; H41-D46 IonicContact CG-OD1 3.5Å; H41-D46 IonicContact CG-OD2 3.4Å; H41-D46 IonicContact ND1-OD1 4Å; H41-D46 PolarHBondContact ND1-OD1 3.04Å; H41-D46 IonicContact ND1-OD2 2.89Å; H41-D46 PolarHBondContact ND1-OD2 3.06Å; H41-T47 WeakPolarHBondContact O-CA 3.4Å; H41-W48 HydrophobicContact CB-CB 3.77Å; H41-W48 HydrophobicContact CB-CD2 3.65Å; H41-W48 HydrophobicContact CB-CE3 4.15Å; H41-W48 HydrophobicContact CB-CG 3.48Å; H41-W48 VanDerWaalsContact CB-CG 3.48Å; H41-W48 AromaticContact CD2-CD2 3.6Å; H41-W48 AromaticContact CD2-CE2 3.85Å; H41-W48 AromaticContact CD2-CE3 3.37Å; H41-W48 AromaticContact CD2-CH2 3.69Å; H41-W48 AromaticContact CD2-CZ2 3.92Å; H41-W48 AromaticContact CD2-CZ3 3.42Å; H41-W48 VanDerWaalsContact CD2-CZ3 3.42Å; H41-W48 WeakPolarHBondContact CD2-CZ3 3.44Å; H41-W48 AromaticContact CE1-CE2 3.78Å; H41-W48 AromaticContact CE1-CH2 3.66Å; H41-W48 AromaticContact CE1-CZ2 3.44Å; H41-W48 VanDerWaalsContact CE1-CZ2 3.44Å; H41-W48 WeakPolarHBondContact CE1-CZ2 3.24Å; H41-W48 AromaticContact CG-CD2 3.44Å; H41-W48 VanDerWaalsContact CG-CD2 3.44Å; H41-W48 AromaticContact CG-CE2 3.57Å; H41-W48 AromaticContact CG-CE3 3.73Å; H41-W48 AromaticContact CG-CG 3.83Å; H41-W48 AromaticContact CG-CZ2 3.98Å; H41-W48 AromaticContact CG-NE1 3.94Å; H41-W48 AromaticContact ND1-CD2 3.9Å; H41-W48 AromaticContact ND1-CE2 3.49Å; H41-W48 AromaticContact ND1-CZ2 3.66Å; H41-W48 AromaticContact ND1-NE1 3.74Å; H41-W48 AromaticContact NE2-CE3 3.94Å; H41-W48 AromaticContact NE2-CH2 3.32Å; H41-W48 VanDerWaalsContact NE2-CH2 3.32Å; H41-W48 WeakPolarHBondContact NE2-CH2 2.96Å; H41-W48 AromaticContact NE2-CZ2 3.61Å; H41-W48 AromaticContact NE2-CZ3 3.51Å; H41-W48 PolarHBondContact O-N 3.47Å; H41-G77 PolarHBondContact O-N 2.92Å
42	N	91.6	Very high	93.2	Very high	81 Å²	81	62.9 Å²	62.9	43%	0.433	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	16.4	-177.6	66.5	32.9	0	0	0	114.1	R39 M40 D46	R39-N42 PolarHBondContact O-ND2 3.47Å; M40-N42 PolarHBondContact O-N 2.79Å; N42-D46 PolarHBondContact N-O 2.98Å
43	M	89.6	Confident	93.2	Very high	112 Å²	112	59.9 Å²	59.9	55%	0.552	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.6	154.5	-176.9	-62	-169.7	-173.8	0	0	111.1	N45 D46 T47	M43-N45 PolarHBondContact O-N 3.19Å; M43-D46 PolarHBondContact N-O 2.99Å; M43-D46 CarbonylContact O-C 3.49Å; M43-D46 WeakPolarHBondContact O-CA 3.5Å; M43-D46 PolarHBondContact O-N 3.49Å; M43-T47 PolarHBondContact O-N 2.97Å; M43-T47 PolarHBondContact O-OG1 3.12Å
44	S	88.2	Confident	93.2	Very high	76 Å²	76	60.7 Å²	60.7	53%	0.531	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-20.8	-179.6	54.7	0	0	0	0	115	L62	S44-L62 WeakPolarHBondContact O-CD1 3.32Å
45	N	90.3	Very high	93.3	Very high	116 Å²	116	57.9 Å²	57.9	62%	0.62	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	4.9	174.2	69.4	-91.5	0	0	0	113.5	M43 T59	M43-N45 PolarHBondContact O-N 3.19Å; N45-T59 VanDerWaalsContact O-CG2 3.28Å; N45-T59 WeakPolarHBondContact O-CG2 3.41Å
46	D	93.3	Very high	93.5	Very high	50 Å²	50	54.9 Å²	54.9	27%	0.267	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.1	78.1	-176	-169.6	-160.1	0	0	0	109.7	H41 N42 M43 T59	H41-D46 CarbonylContact C-O 2.96Å; H41-D46 WeakPolarHBondContact CA-O 3.39Å; H41-D46 IonicContact CE1-OD1 3.07Å; H41-D46 PolarHBondContact CE1-OD1 3.13Å; H41-D46 IonicContact CE1-OD2 3.35Å; H41-D46 IonicContact CG-OD1 3.5Å; H41-D46 IonicContact CG-OD2 3.4Å; H41-D46 IonicContact ND1-OD1 4Å; H41-D46 PolarHBondContact ND1-OD1 3.04Å; H41-D46 IonicContact ND1-OD2 2.89Å; H41-D46 PolarHBondContact ND1-OD2 3.06Å; N42-D46 PolarHBondContact N-O 2.98Å; M43-D46 PolarHBondContact N-O 2.99Å; M43-D46 CarbonylContact O-C 3.49Å; M43-D46 WeakPolarHBondContact O-CA 3.5Å; M43-D46 PolarHBondContact O-N 3.49Å; D46-T59 WeakPolarHBondContact CA-OG1 3.18Å
47	T	94.7	Very high	93.6	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	117.5	-176.8	-64	0	0	0	0	110.5	H41 M43 I58 T59 L62 L73	H41-T47 WeakPolarHBondContact O-CA 3.4Å; M43-T47 PolarHBondContact O-N 2.97Å; M43-T47 PolarHBondContact O-OG1 3.12Å; T47-I58 HydrophobicContact CG2-CD1 3.8Å; T47-I58 HydrophobicContact CG2-CG1 3.94Å; T47-I58 WeakPolarHBondContact O-CG1 3.37Å; T47-I58 PolarHBondContact O-N 3.01Å; T47-I58 VanDerWaalsContact O-N 3.16Å; T47-T59 PolarHBondContact N-OG1 3.03Å; T47-L62 HydrophobicContact CG2-CD2 4.31Å; T47-L73 WeakPolarHBondContact OG1-CD2 3.45Å
48	W	96.7	Very high	93.7	Very high	23 Å²	23	48.9 Å²	48.9	9%	0.087	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	148.4	172.7	-64.4	2.7	0	0	0	111	Y33 V38 H41 I55 Y56 G77 I102	Y33-W48 HydrophobicContact CD1-CH2 4.07Å; Y33-W48 AromaticContact CD1-CZ3 3.7Å; Y33-W48 HydrophobicContact CD1-CZ3 3.7Å; Y33-W48 AromaticContact CE1-CH2 3.7Å; Y33-W48 HydrophobicContact CE1-CH2 3.7Å; Y33-W48 AromaticContact CE1-CZ3 3.8Å; Y33-W48 HydrophobicContact CE1-CZ3 3.8Å; Y33-W48 HydrophobicContact CG-CZ3 4.21Å; V38-W48 HydrophobicContact CG1-CB 4.11Å; V38-W48 HydrophobicContact CG2-CE3 4.28Å; H41-W48 HydrophobicContact CB-CB 3.77Å; H41-W48 HydrophobicContact CB-CD2 3.65Å; H41-W48 HydrophobicContact CB-CE3 4.15Å; H41-W48 HydrophobicContact CB-CG 3.48Å; H41-W48 VanDerWaalsContact CB-CG 3.48Å; H41-W48 AromaticContact CD2-CD2 3.6Å; H41-W48 AromaticContact CD2-CE2 3.85Å; H41-W48 AromaticContact CD2-CE3 3.37Å; H41-W48 AromaticContact CD2-CH2 3.69Å; H41-W48 AromaticContact CD2-CZ2 3.92Å; H41-W48 AromaticContact CD2-CZ3 3.42Å; H41-W48 VanDerWaalsContact CD2-CZ3 3.42Å; H41-W48 WeakPolarHBondContact CD2-CZ3 3.44Å; H41-W48 AromaticContact CE1-CE2 3.78Å; H41-W48 AromaticContact CE1-CH2 3.66Å; H41-W48 AromaticContact CE1-CZ2 3.44Å; H41-W48 VanDerWaalsContact CE1-CZ2 3.44Å; H41-W48 WeakPolarHBondContact CE1-CZ2 3.24Å; H41-W48 AromaticContact CG-CD2 3.44Å; H41-W48 VanDerWaalsContact CG-CD2 3.44Å; H41-W48 AromaticContact CG-CE2 3.57Å; H41-W48 AromaticContact CG-CE3 3.73Å; H41-W48 AromaticContact CG-CG 3.83Å; H41-W48 AromaticContact CG-CZ2 3.98Å; H41-W48 AromaticContact CG-NE1 3.94Å; H41-W48 AromaticContact ND1-CD2 3.9Å; H41-W48 AromaticContact ND1-CE2 3.49Å; H41-W48 AromaticContact ND1-CZ2 3.66Å; H41-W48 AromaticContact ND1-NE1 3.74Å; H41-W48 AromaticContact NE2-CE3 3.94Å; H41-W48 AromaticContact NE2-CH2 3.32Å; H41-W48 VanDerWaalsContact NE2-CH2 3.32Å; H41-W48 WeakPolarHBondContact NE2-CH2 2.96Å; H41-W48 AromaticContact NE2-CZ2 3.61Å; H41-W48 AromaticContact NE2-CZ3 3.51Å; H41-W48 PolarHBondContact O-N 3.47Å; W48-I55 HydrophobicContact CB-CG2 4.35Å; W48-I55 HydrophobicContact CD2-CG2 4.39Å; W48-I55 HydrophobicContact CE3-CG2 3.92Å; W48-Y56 CarbonylContact C-O 3.02Å; W48-Y56 VanDerWaalsContact CA-O 3.29Å; W48-Y56 WeakPolarHBondContact CA-O 3.2Å; W48-G77 WeakPolarHBondContact O-CA 3.49Å; W48-G77 PolarHBondContact O-N 3.45Å; W48-I102 HydrophobicContact CD2-CD1 3.57Å; W48-I102 HydrophobicContact CE3-CD1 3.69Å; W48-I102 HydrophobicContact CG-CD1 4.28Å; W48-I102 HydrophobicContact CH2-CD1 3.72Å; W48-I102 HydrophobicContact CZ2-CD1 3.58Å; W48-I102 HydrophobicContact CZ3-CD1 3.77Å
49	L	95.8	Very high	93.7	Very high	6 Å²	6	50.4 Å²	50.4	3%	0.031	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	145.8	174.8	-67.9	179.7	0	0	0	110.8	I55 Y56 I58 L72 Q75 A80	L49-I55 WeakPolarHBondContact O-CA 3.29Å; L49-Y56 PolarHBondContact N-O 3.12Å; L49-Y56 PolarHBondContact O-N 2.95Å; L49-I58 HydrophobicContact CD1-CD1 3.34Å; L49-I58 HydrophobicContact CD1-CG1 4.04Å; L49-I58 HydrophobicContact CG-CD1 3.71Å; L49-I58 HydrophobicContact CG-CG1 4.03Å; L49-L72 HydrophobicContact CD1-CD2 3.98Å; L49-Q75 HydrophobicContact CD2-CB 3.79Å; L49-Q75 WeakPolarHBondContact CD2-O 3.48Å; L49-A80 HydrophobicContact CD1-CB 4.43Å; L49-A80 HydrophobicContact CD2-CB 4.09Å
50	I	95.9	Very high	93.7	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	121.8	170.4	-45.8	166	0	0	0	108	L35 V38 K54 I55 S78 D79 A80 L105	L35-I50 HydrophobicContact CD1-CD1 3.61Å; V38-I50 HydrophobicContact CB-CD1 4.23Å; V38-I50 HydrophobicContact CB-CG1 4.47Å; V38-I50 HydrophobicContact CG1-CD1 3.9Å; V38-I50 HydrophobicContact CG1-CG1 3.74Å; V38-I50 HydrophobicContact CG2-CD1 4.36Å; V38-I50 HydrophobicContact CG2-CG1 4.43Å; I50-K54 CarbonylContact C-O 3.51Å; I50-K54 VanDerWaalsContact CA-O 3.28Å; I50-K54 WeakPolarHBondContact CA-O 3.47Å; I50-I55 HydrophobicContact CG1-CG1 4.33Å; I50-S78 PolarHBondContact N-O 2.91Å; I50-D79 HydrophobicContact CB-CB 4.21Å; I50-D79 WeakPolarHBondContact CG2-OD2 3.43Å; I50-D79 CarbonylContact O-C 3.55Å; I50-D79 WeakPolarHBondContact O-CA 3.43Å; I50-A80 PolarHBondContact O-N 2.82Å; I50-L105 HydrophobicContact CD1-CD1 3.9Å
51	I	94.8	Very high	93.7	Very high	5 Å²	5	44.9 Å²	44.9	3%	0.026	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	121.6	174.8	-61.4	168.9	0	0	0	107.4	N53 K54 Y56 A80 T81 F84 L97	I51-N53 VanDerWaalsContact C-N 3.29Å; I51-N53 PolarHBondContact O-N 3.31Å; I51-K54 PolarHBondContact N-O 3.31Å; I51-K54 WeakPolarHBondContact O-CB 3.34Å; I51-K54 PolarHBondContact O-N 3.12Å; I51-Y56 HydrophobicContact CB-CD2 4.09Å; I51-Y56 HydrophobicContact CB-CE2 3.76Å; I51-Y56 HydrophobicContact CD1-CD2 4.41Å; I51-Y56 HydrophobicContact CG1-CD2 4.43Å; I51-A80 HydrophobicContact CG1-CB 4.44Å; I51-T81 WeakPolarHBondContact CA-OG1 3.47Å; I51-F84 HydrophobicContact CD1-CB 4.37Å; I51-F84 HydrophobicContact CD1-CD2 3.89Å; I51-F84 HydrophobicContact CD1-CE2 4.39Å; I51-F84 HydrophobicContact CD1-CG 4.1Å; I51-F84 HydrophobicContact CG2-CD1 4.02Å; I51-F84 HydrophobicContact CG2-CG 4.24Å; I51-L97 HydrophobicContact CD1-CD1 4.03Å; I51-L97 HydrophobicContact CD1-CD2 3.61Å; I51-L97 HydrophobicContact CD1-CG 4.47Å; I51-L97 HydrophobicContact CG2-CD2 4.33Å
52	H	93.6	Very high	93.6	Very high	96 Å²	96	43.9 Å²	43.9	44%	0.444	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	44.3	-178.4	-61.1	-62.2	0	0	0	113	K54 T81 E85	H52-K54 PolarHBondContact O-N 3.25Å; H52-K54 VanDerWaalsContact O-N 3.1Å; H52-T81 WeakPolarHBondContact CE1-CG2 3.48Å; H52-T81 PolarHBondContact N-OG1 2.65Å; H52-T81 WeakPolarHBondContact ND1-CG2 3.04Å; H52-E85 IonicContact CE1-OE1 3.76Å; H52-E85 IonicContact NE2-OE1 2.74Å; H52-E85 PolarHBondContact NE2-OE1 3.47Å
53	N	93.2	Very high	93.6	Very high	50 Å²	50	48.5 Å²	48.5	27%	0.267	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.9	12.4	-175.3	-48.9	117.4	0	0	0	115.7	I51 L105 R110	I51-N53 VanDerWaalsContact C-N 3.29Å; I51-N53 PolarHBondContact O-N 3.31Å; N53-L105 HydrophobicContact CB-CB 4.48Å; N53-L105 PolarHBondContact O-N 3.2Å; N53-R110 HydrophobicContact CB-CG 4.4Å
54	K	94.6	Very high	93.8	Very high	61 Å²	61	50 Å²	50	27%	0.265	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	147.2	172.3	-65	177.6	179.1	-65.8	0	109.3	I50 I51 H52 Y56 Y101 E104	I50-K54 CarbonylContact C-O 3.51Å; I50-K54 VanDerWaalsContact CA-O 3.28Å; I50-K54 WeakPolarHBondContact CA-O 3.47Å; I51-K54 PolarHBondContact N-O 3.31Å; I51-K54 WeakPolarHBondContact O-CB 3.34Å; I51-K54 PolarHBondContact O-N 3.12Å; H52-K54 PolarHBondContact O-N 3.25Å; H52-K54 VanDerWaalsContact O-N 3.1Å; K54-Y56 HydrophobicContact CB-CD2 4.42Å; K54-Y56 HydrophobicContact CB-CE2 3.47Å; K54-Y56 VanDerWaalsContact CB-CE2 3.47Å; K54-Y56 WeakPolarHBondContact CB-OH 3.5Å; K54-Y56 WeakPolarHBondContact CD-OH 3.26Å; K54-Y56 WeakPolarHBondContact O-CD2 3.44Å; K54-Y56 WeakPolarHBondContact O-CE2 3.46Å; K54-Y101 HydrophobicContact CB-CD2 4.1Å; K54-Y101 HydrophobicContact CB-CE2 3.94Å; K54-Y101 HydrophobicContact CD-CD2 4.46Å; K54-Y101 HydrophobicContact CD-CE2 4.19Å; K54-Y101 HydrophobicContact CG-CE2 4.01Å; K54-E104 HydrophobicContact CG-CG 4.25Å; K54-E104 IonicContact NZ-OE1 3.71Å; K54-E104 PolarHBondContact NZ-OE1 3.22Å
55	I	95.4	Very high	94	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	130	-174.1	-57.1	171.8	0	0	0	108.1	Y33 V38 W48 L49 I50 I102 G103 L105	Y33-I55 HydrophobicContact CD2-CD1 3.74Å; Y33-I55 HydrophobicContact CG-CD1 3.99Å; V38-I55 HydrophobicContact CG2-CD1 3.52Å; V38-I55 HydrophobicContact CG2-CG1 4.17Å; V38-I55 HydrophobicContact CG2-CG2 4.17Å; W48-I55 HydrophobicContact CB-CG2 4.35Å; W48-I55 HydrophobicContact CD2-CG2 4.39Å; W48-I55 HydrophobicContact CE3-CG2 3.92Å; L49-I55 WeakPolarHBondContact O-CA 3.29Å; I50-I55 HydrophobicContact CG1-CG1 4.33Å; I55-I102 HydrophobicContact CB-CG1 4.13Å; I55-I102 HydrophobicContact CG2-CD1 3.74Å; I55-I102 HydrophobicContact CG2-CG1 3.76Å; I55-I102 WeakPolarHBondContact O-CG1 3.46Å; I55-I102 PolarHBondContact O-N 3.25Å; I55-G103 PolarHBondContact N-O 3.21Å; I55-L105 HydrophobicContact CD1-CD1 4.37Å
56	Y	95.6	Very high	94.1	Very high	13 Å²	13	48.2 Å²	48.2	5%	0.051	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	127.7	-175.6	-57.8	-88.2	0	0	0	109.8	W48 L49 I51 K54 I58 L97 F100 Y101	W48-Y56 CarbonylContact C-O 3.02Å; W48-Y56 VanDerWaalsContact CA-O 3.29Å; W48-Y56 WeakPolarHBondContact CA-O 3.2Å; L49-Y56 PolarHBondContact N-O 3.12Å; L49-Y56 PolarHBondContact O-N 2.95Å; I51-Y56 HydrophobicContact CB-CD2 4.09Å; I51-Y56 HydrophobicContact CB-CE2 3.76Å; I51-Y56 HydrophobicContact CD1-CD2 4.41Å; I51-Y56 HydrophobicContact CG1-CD2 4.43Å; K54-Y56 HydrophobicContact CB-CD2 4.42Å; K54-Y56 HydrophobicContact CB-CE2 3.47Å; K54-Y56 VanDerWaalsContact CB-CE2 3.47Å; K54-Y56 WeakPolarHBondContact CB-OH 3.5Å; K54-Y56 WeakPolarHBondContact CD-OH 3.26Å; K54-Y56 WeakPolarHBondContact O-CD2 3.44Å; K54-Y56 WeakPolarHBondContact O-CE2 3.46Å; Y56-I58 PolarHBondContact O-N 2.79Å; Y56-L97 HydrophobicContact CD1-CD1 3.74Å; Y56-L97 HydrophobicContact CD1-CG 3.75Å; Y56-L97 WeakPolarHBondContact CD1-O 3.32Å; Y56-L97 HydrophobicContact CD2-CD1 4.22Å; Y56-L97 HydrophobicContact CD2-CG 4.46Å; Y56-L97 HydrophobicContact CE1-CD1 4.21Å; Y56-L97 HydrophobicContact CE1-CD2 4.24Å; Y56-L97 HydrophobicContact CE1-CG 3.7Å; Y56-L97 WeakPolarHBondContact CE1-O 3.42Å; Y56-L97 HydrophobicContact CE2-CD2 4.25Å; Y56-L97 HydrophobicContact CE2-CG 4.43Å; Y56-L97 HydrophobicContact CG-CD1 3.72Å; Y56-L97 HydrophobicContact CG-CG 4.13Å; Y56-F100 CarbonylContact C-O 3.53Å; Y56-F100 VanDerWaalsContact CA-O 3.25Å; Y56-F100 WeakPolarHBondContact CA-O 3.21Å; Y56-Y101 HydrophobicContact CE1-CD2 4.11Å; Y56-Y101 HydrophobicContact CE1-CG 4.5Å
57	D	96	Very high	94	Very high	53 Å²	53	48.3 Å²	48.3	28%	0.283	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	98.7	170.1	178.8	7	0	0	0	109.2	T59 F100 I102	D57-T59 WeakPolarHBondContact OD1-CB 3.39Å; D57-T59 PolarHBondContact OD1-N 2.81Å; D57-T59 VanDerWaalsContact OD1-N 3.09Å; D57-T59 PolarHBondContact OD1-OG1 3.2Å; D57-F100 PolarHBondContact N-O 3Å; D57-F100 WeakPolarHBondContact O-CB 3.35Å; D57-F100 VanDerWaalsContact O-CD1 3.25Å; D57-F100 WeakPolarHBondContact O-CD1 3.29Å; D57-I102 HydrophobicContact CB-CD1 4.33Å; D57-I102 HydrophobicContact CB-CG2 3.75Å
58	I	94.7	Very high	93.9	Very high	4 Å²	4	49.9 Å²	49.9	2%	0.021	28%	0.281	C	S	.	.			trans	-96.7	10.9	-177.3	56.8	146.6	0	0	0	112.4	T47 L49 Y56 S60 F61 L62 L72 L97	T47-I58 HydrophobicContact CG2-CD1 3.8Å; T47-I58 HydrophobicContact CG2-CG1 3.94Å; T47-I58 WeakPolarHBondContact O-CG1 3.37Å; T47-I58 PolarHBondContact O-N 3.01Å; T47-I58 VanDerWaalsContact O-N 3.16Å; L49-I58 HydrophobicContact CD1-CD1 3.34Å; L49-I58 HydrophobicContact CD1-CG1 4.04Å; L49-I58 HydrophobicContact CG-CD1 3.71Å; L49-I58 HydrophobicContact CG-CG1 4.03Å; Y56-I58 PolarHBondContact O-N 2.79Å; I58-S60 PolarHBondContact O-N 2.82Å; I58-S60 VanDerWaalsContact O-N 3.14Å; I58-F61 HydrophobicContact CB-CB 4.47Å; I58-F61 WeakPolarHBondContact O-CA 3.49Å; I58-F61 PolarHBondContact O-N 3.19Å; I58-L62 HydrophobicContact CD1-CD2 3.85Å; I58-L62 PolarHBondContact O-N 3.12Å; I58-L72 HydrophobicContact CD1-CB 3.74Å; I58-L72 HydrophobicContact CD1-CD1 3.87Å; I58-L72 HydrophobicContact CD1-CD2 4.11Å; I58-L72 HydrophobicContact CD1-CG 4.11Å; I58-L97 HydrophobicContact CG2-CD1 4.49Å
59	T	94	Very high	93.7	Very high	32 Å²	32	52.9 Å²	52.9	20%	0.196	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-41.5	-175.7	-58.2	0	0	0	0	112.4	N45 D46 T47 D57 F61	N45-T59 VanDerWaalsContact O-CG2 3.28Å; N45-T59 WeakPolarHBondContact O-CG2 3.41Å; D46-T59 WeakPolarHBondContact CA-OG1 3.18Å; T47-T59 PolarHBondContact N-OG1 3.03Å; D57-T59 WeakPolarHBondContact OD1-CB 3.39Å; D57-T59 PolarHBondContact OD1-N 2.81Å; D57-T59 VanDerWaalsContact OD1-N 3.09Å; D57-T59 PolarHBondContact OD1-OG1 3.2Å; T59-F61 VanDerWaalsContact C-N 3.29Å; T59-F61 PolarHBondContact O-N 3.17Å
60	S	92.3	Very high	93.6	Very high	101 Å²	101	59.9 Å²	59.9	71%	0.706	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-11.6	179.2	-59.9	0	0	0	0	114	I58	I58-S60 PolarHBondContact O-N 2.82Å; I58-S60 VanDerWaalsContact O-N 3.14Å
61	F	93.4	Very high	93.4	Very high	37 Å²	37	63 Å²	63	16%	0.162	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-9.1	-175.3	-174.3	-109	0	0	0	113.4	I58 T59 E63 E64 H65 L72 M96 F100	I58-F61 HydrophobicContact CB-CB 4.47Å; I58-F61 WeakPolarHBondContact O-CA 3.49Å; I58-F61 PolarHBondContact O-N 3.19Å; T59-F61 VanDerWaalsContact C-N 3.29Å; T59-F61 PolarHBondContact O-N 3.17Å; F61-E63 VanDerWaalsContact C-N 3.33Å; F61-E63 PolarHBondContact O-N 3.44Å; F61-E64 HydrophobicContact CD2-CB 3.83Å; F61-E64 HydrophobicContact CE2-CB 3.95Å; F61-E64 PolarHBondContact O-N 2.98Å; F61-H65 HydrophobicContact CD1-CB 4.24Å; F61-H65 HydrophobicContact CE1-CB 3.84Å; F61-H65 AromaticContact CE1-CD2 3.79Å; F61-H65 HydrophobicContact CZ-CB 4.37Å; F61-H65 PolarHBondContact O-N 3.37Å; F61-L72 HydrophobicContact CD1-CD1 4.41Å; F61-M96 HydrophobicContact CD2-SD 4.42Å; F61-M96 HydrophobicContact CE2-SD 3.66Å; F61-M96 HydrophobicContact CZ-SD 4.17Å; F61-F100 HydrophobicContact CB-CE1 4.08Å; F61-F100 HydrophobicContact CB-CE2 4.09Å; F61-F100 HydrophobicContact CB-CZ 3.73Å; F61-F100 HydrophobicContact CD2-CE2 4.13Å; F61-F100 HydrophobicContact CD2-CZ 4.05Å; F61-F100 HydrophobicContact CG-CE2 4.11Å; F61-F100 HydrophobicContact CG-CZ 4.1Å
62	L	92.1	Very high	93.4	Very high	5 Å²	5	63.9 Å²	63.9	3%	0.026	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-50.8	-49.4	-176.5	-70.7	170.8	0	0	0	112.8	S44 T47 I58 E69 L72 L73	S44-L62 WeakPolarHBondContact O-CD1 3.32Å; T47-L62 HydrophobicContact CG2-CD2 4.31Å; I58-L62 HydrophobicContact CD1-CD2 3.85Å; I58-L62 PolarHBondContact O-N 3.12Å; L62-E69 HydrophobicContact CB-CB 4.11Å; L62-E69 WeakPolarHBondContact O-CB 3.45Å; L62-L72 HydrophobicContact CD2-CB 3.69Å; L62-L72 HydrophobicContact CD2-CD1 4Å; L62-L73 HydrophobicContact CD1-CD2 4.14Å; L62-L73 HydrophobicContact CD2-CD2 4.13Å; L62-L73 HydrophobicContact CD2-CG 4.36Å
63	E	92	Very high	93.4	Very high	178 Å²	178	61.9 Å²	61.9	83%	0.832	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-77.1	-20.6	-179.2	-60.2	-172.5	91	0	0	113.5	F61	F61-E63 VanDerWaalsContact C-N 3.33Å; F61-E63 PolarHBondContact O-N 3.44Å
64	E	92.5	Very high	93.4	Very high	144 Å²	144	66.5 Å²	66.5	67%	0.673	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-89.2	-9.9	180	-62.1	-155.7	98.1	0	0	112.6	F61 P66	F61-E64 HydrophobicContact CD2-CB 3.83Å; F61-E64 HydrophobicContact CE2-CB 3.95Å; F61-E64 PolarHBondContact O-N 2.98Å; E64-P66 VanDerWaalsContact O-CD 3.29Å; E64-P66 WeakPolarHBondContact O-CD 3.44Å
65	H	93.6	Very high	93.4	Very high	26 Å²	26	66.4 Å²	66.4	12%	0.12	37%	0.365	C	S	.	.			trans	-67	119.6	-178.8	-177.7	-128.5	0	0	0	111.7	F61 G67 G68 L72 H89	F61-H65 HydrophobicContact CD1-CB 4.24Å; F61-H65 HydrophobicContact CE1-CB 3.84Å; F61-H65 AromaticContact CE1-CD2 3.79Å; F61-H65 HydrophobicContact CZ-CB 4.37Å; F61-H65 PolarHBondContact O-N 3.37Å; H65-G67 PolarHBondContact O-N 2.76Å; H65-G67 VanDerWaalsContact O-N 3.07Å; H65-G68 PolarHBondContact ND1-O 2.89Å; H65-G68 PolarHBondContact O-N 3.07Å; H65-L72 HydrophobicContact CB-CD1 3.51Å; H65-L72 HydrophobicContact CB-CG 4.43Å; H65-H89 AromaticContact NE2-NE2 3.94Å
66	P	92.3	Very high	93.3	Very high	128 Å²	128	66.9 Å²	66.9	83%	0.831	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-22	-178	-25.4	35.4	0	0	0	114.7	E64 G68	E64-P66 VanDerWaalsContact O-CD 3.29Å; E64-P66 WeakPolarHBondContact O-CD 3.44Å; P66-G68 VanDerWaalsContact C-N 3.34Å
67	G	90.1	Very high	93.2	Very high	52 Å²	52	66.3 Å²	66.3	54%	0.536	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-1.3	175.1	0	0	0	0	0	114.6	H65	H65-G67 PolarHBondContact O-N 2.76Å; H65-G67 VanDerWaalsContact O-N 3.07Å
68	G	93.2	Very high	93.1	Very high	33 Å²	33	66.3 Å²	66.3	34%	0.34	37%	0.372	S	S	.	.			trans	88.9	158.8	-174.7	0	0	0	0	0	113.5	H65 P66 V71	H65-G68 PolarHBondContact ND1-O 2.89Å; H65-G68 PolarHBondContact O-N 3.07Å; P66-G68 VanDerWaalsContact C-N 3.34Å; G68-V71 WeakPolarHBondContact O-CG2 3.38Å
69	E	93	Very high	93.2	Very high	86 Å²	86	69.6 Å²	69.6	40%	0.402	39%	0.39	S	S	.	.	S	Bend	trans	-72.6	-29.4	179.8	64.9	-178.3	160.3	0	0	113	L62 V71 L72 L73	L62-E69 HydrophobicContact CB-CB 4.11Å; L62-E69 WeakPolarHBondContact O-CB 3.45Å; E69-V71 VanDerWaalsContact C-N 3.32Å; E69-V71 PolarHBondContact O-N 3.48Å; E69-L72 WeakPolarHBondContact O-CB 3.32Å; E69-L72 PolarHBondContact O-N 3.31Å; E69-L73 HydrophobicContact CG-CD1 4.41Å; E69-L73 WeakPolarHBondContact O-CG 3.45Å; E69-L73 PolarHBondContact O-N 3.28Å
70	E	92.7	Very high	93.2	Very high	153 Å²	153	68.4 Å²	68.4	72%	0.715	38%	0.383	S	S	*	.	H	α-helix	trans	-55.6	-46.6	-174.9	-69.1	-175.1	89.5	0	0	111.8	L72 L73 E74	E70-L72 PolarHBondContact O-N 3.38Å; E70-L73 PolarHBondContact O-N 2.98Å; E70-E74 WeakPolarHBondContact O-CG 3.44Å; E70-E74 PolarHBondContact O-N 3.37Å
71	V	93.3	Very high	93.3	Very high	67 Å²	67	64.7 Å²	64.7	41%	0.406	36%	0.356	S	S	.	.	H	α-helix	trans	-66.7	-25	-179.1	-61.2	0	0	0	0	113.2	G68 E69	G68-V71 WeakPolarHBondContact O-CG2 3.38Å; E69-V71 VanDerWaalsContact C-N 3.32Å; E69-V71 PolarHBondContact O-N 3.48Å
72	L	93.8	Very high	93.3	Very high	23 Å²	23	71.1 Å²	71.1	12%	0.12	39%	0.387	C	S	.	.	H	α-helix	trans	-80	-41.5	175.5	-63.6	179.2	0	0	0	110.8	L49 I58 F61 L62 H65 E69 E70 Q75 G76	L49-L72 HydrophobicContact CD1-CD2 3.98Å; I58-L72 HydrophobicContact CD1-CB 3.74Å; I58-L72 HydrophobicContact CD1-CD1 3.87Å; I58-L72 HydrophobicContact CD1-CD2 4.11Å; I58-L72 HydrophobicContact CD1-CG 4.11Å; F61-L72 HydrophobicContact CD1-CD1 4.41Å; L62-L72 HydrophobicContact CD2-CB 3.69Å; L62-L72 HydrophobicContact CD2-CD1 4Å; H65-L72 HydrophobicContact CB-CD1 3.51Å; H65-L72 HydrophobicContact CB-CG 4.43Å; E69-L72 WeakPolarHBondContact O-CB 3.32Å; E69-L72 PolarHBondContact O-N 3.31Å; E70-L72 PolarHBondContact O-N 3.38Å; L72-Q75 CarbonylContact O-C 3.6Å; L72-Q75 PolarHBondContact O-N 3.2Å; L72-G76 PolarHBondContact O-N 3.07Å
73	L	93.9	Very high	93.4	Very high	54 Å²	54	73.3 Å²	73.3	28%	0.283	40%	0.403	S	S	.	.	H	α-helix	trans	-65.8	-37	176.8	-66.1	173.7	0	0	0	112.2	T47 L62 E69 E70 Q75 G76	T47-L73 WeakPolarHBondContact OG1-CD2 3.45Å; L62-L73 HydrophobicContact CD1-CD2 4.14Å; L62-L73 HydrophobicContact CD2-CD2 4.13Å; L62-L73 HydrophobicContact CD2-CG 4.36Å; E69-L73 HydrophobicContact CG-CD1 4.41Å; E69-L73 WeakPolarHBondContact O-CG 3.45Å; E69-L73 PolarHBondContact O-N 3.28Å; E70-L73 PolarHBondContact O-N 2.98Å; L73-Q75 PolarHBondContact O-N 3.18Å; L73-G76 PolarHBondContact O-N 3.22Å
74	E	93	Very high	93.5	Very high	146 Å²	146	65.9 Å²	65.9	68%	0.682	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-30.7	174.3	-76.7	-178.2	100.2	0	0	112.8	E70	E70-E74 WeakPolarHBondContact O-CG 3.44Å; E70-E74 PolarHBondContact O-N 3.37Å
75	Q	94.3	Very high	93.6	Very high	59 Å²	59	62.7 Å²	62.7	28%	0.276	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-1.5	177.2	-58.8	-55.5	-62.1	0	0	113.1	L49 L72 L73 G77 S78 A80	L49-Q75 HydrophobicContact CD2-CB 3.79Å; L49-Q75 WeakPolarHBondContact CD2-O 3.48Å; L72-Q75 CarbonylContact O-C 3.6Å; L72-Q75 PolarHBondContact O-N 3.2Å; L73-Q75 PolarHBondContact O-N 3.18Å; Q75-G77 PolarHBondContact O-N 3.44Å; Q75-S78 WeakPolarHBondContact O-CB 3.45Å; Q75-S78 PolarHBondContact O-N 2.85Å; Q75-A80 HydrophobicContact CB-CB 3.83Å; Q75-A80 HydrophobicContact CG-CB 4.23Å
76	G	93.8	Very high	93.7	Very high	10 Å²	10	68.4 Å²	68.4	10%	0.103	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	135.2	-176.9	0	0	0	0	0	112.3	L72 L73 S78	L72-G76 PolarHBondContact O-N 3.07Å; L73-G76 PolarHBondContact O-N 3.22Å; G76-S78 PolarHBondContact O-N 3.4Å
77	G	94.3	Very high	93.7	Very high	2 Å²	2	67 Å²	67	2%	0.021	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.8	16.1	-177.5	0	0	0	0	0	114.6	V38 R39 H41 W48 Q75	V38-G77 WeakPolarHBondContact O-CA 3.41Å; R39-G77 VanDerWaalsContact CA-O 3.32Å; R39-G77 WeakPolarHBondContact CA-O 3.28Å; H41-G77 PolarHBondContact O-N 2.92Å; W48-G77 WeakPolarHBondContact O-CA 3.49Å; W48-G77 PolarHBondContact O-N 3.45Å; Q75-G77 PolarHBondContact O-N 3.44Å
78	S	94.1	Very high	93.9	Very high	53 Å²	53	67 Å²	67	37%	0.371	37%	0.373	S	S	.	.	S	Bend	trans	-134	175.2	-177.2	-59.4	0	0	0	0	112.7	I50 Q75 G76 A80	I50-S78 PolarHBondContact N-O 2.91Å; Q75-S78 WeakPolarHBondContact O-CB 3.45Å; Q75-S78 PolarHBondContact O-N 2.85Å; G76-S78 PolarHBondContact O-N 3.4Å; S78-A80 PolarHBondContact O-N 2.98Å
79	D	95.1	Very high	94	Very high	73 Å²	73	67.8 Å²	67.8	39%	0.39	37%	0.368	S	S	.	.	B	Isolated β-bridge	trans	-80.4	110.9	172.2	-170.8	-82	0	0	0	111.1	I50 T81	I50-D79 HydrophobicContact CB-CB 4.21Å; I50-D79 WeakPolarHBondContact CG2-OD2 3.43Å; I50-D79 CarbonylContact O-C 3.55Å; I50-D79 WeakPolarHBondContact O-CA 3.43Å; D79-T81 VanDerWaalsContact CG-OG1 3.26Å; D79-T81 WeakPolarHBondContact OD1-CB 2.96Å; D79-T81 PolarHBondContact OD1-N 2.74Å; D79-T81 VanDerWaalsContact OD1-N 3.13Å; D79-T81 PolarHBondContact OD1-OG1 3.36Å; D79-T81 PolarHBondContact OD2-OG1 3.18Å
80	A	94.9	Very high	94.1	Very high	6 Å²	6	67.1 Å²	67.1	5%	0.05	37%	0.373	C	S	.	.			trans	-99.9	13.7	179.8	0	0	0	0	0	111.9	L49 I50 I51 Q75 S78 E82 S83 F84	L49-A80 HydrophobicContact CD1-CB 4.43Å; L49-A80 HydrophobicContact CD2-CB 4.09Å; I50-A80 PolarHBondContact O-N 2.82Å; I51-A80 HydrophobicContact CG1-CB 4.44Å; Q75-A80 HydrophobicContact CB-CB 3.83Å; Q75-A80 HydrophobicContact CG-CB 4.23Å; S78-A80 PolarHBondContact O-N 2.98Å; A80-E82 VanDerWaalsContact C-N 3.29Å; A80-E82 PolarHBondContact O-N 3.23Å; A80-S83 PolarHBondContact O-N 3.01Å; A80-F84 VanDerWaalsContact O-CB 3.24Å; A80-F84 WeakPolarHBondContact O-CB 3.46Å; A80-F84 PolarHBondContact O-N 3.45Å
81	T	94.8	Very high	94.1	Very high	24 Å²	24	64.8 Å²	64.8	15%	0.147	37%	0.369	C	S	.	.	H	α-helix	trans	-58.6	-43.4	-175	-54	0	0	0	0	111.3	I51 H52 D79 F84 E85	I51-T81 WeakPolarHBondContact CA-OG1 3.47Å; H52-T81 WeakPolarHBondContact CE1-CG2 3.48Å; H52-T81 PolarHBondContact N-OG1 2.65Å; H52-T81 WeakPolarHBondContact ND1-CG2 3.04Å; D79-T81 VanDerWaalsContact CG-OG1 3.26Å; D79-T81 WeakPolarHBondContact OD1-CB 2.96Å; D79-T81 PolarHBondContact OD1-N 2.74Å; D79-T81 VanDerWaalsContact OD1-N 3.13Å; D79-T81 PolarHBondContact OD1-OG1 3.36Å; D79-T81 PolarHBondContact OD2-OG1 3.18Å; T81-F84 PolarHBondContact O-N 2.82Å; T81-E85 WeakPolarHBondContact O-CG 3.39Å; T81-E85 PolarHBondContact O-N 3.2Å
82	E	93.4	Very high	94.2	Very high	171 Å²	171	66.7 Å²	66.7	80%	0.799	38%	0.377	S	S	*	.	H	α-helix	trans	-64	-51	179.5	-172.4	173	98.4	0	0	111.3	A80 F84 E85 D86	A80-E82 VanDerWaalsContact C-N 3.29Å; A80-E82 PolarHBondContact O-N 3.23Å; E82-F84 VanDerWaalsContact C-N 3.31Å; E82-F84 PolarHBondContact O-N 2.9Å; E82-E85 PolarHBondContact O-N 2.98Å; E82-D86 VanDerWaalsContact O-CB 3.3Å; E82-D86 WeakPolarHBondContact O-CB 3.46Å; E82-D86 PolarHBondContact O-N 3.2Å
83	S	93.2	Very high	94.1	Very high	51 Å²	51	67 Å²	67	36%	0.357	38%	0.382	S	S	.	.	H	α-helix	trans	-60.2	-39.7	177.2	-57.3	0	0	0	0	112.4	A80 V87	A80-S83 PolarHBondContact O-N 3.01Å; S83-V87 VanDerWaalsContact O-CG2 3.27Å; S83-V87 WeakPolarHBondContact O-CG2 3.28Å; S83-V87 PolarHBondContact O-N 3.04Å
84	F	94.1	Very high	94.1	Very high	23 Å²	23	69.3 Å²	69.3	10%	0.101	39%	0.388	C	S	.	.	H	α-helix	trans	-65.9	-42.5	-179.9	-177.4	-95.5	0	0	0	112.6	I51 A80 T81 E82 H89 R94 L97	I51-F84 HydrophobicContact CD1-CB 4.37Å; I51-F84 HydrophobicContact CD1-CD2 3.89Å; I51-F84 HydrophobicContact CD1-CE2 4.39Å; I51-F84 HydrophobicContact CD1-CG 4.1Å; I51-F84 HydrophobicContact CG2-CD1 4.02Å; I51-F84 HydrophobicContact CG2-CG 4.24Å; A80-F84 VanDerWaalsContact O-CB 3.24Å; A80-F84 WeakPolarHBondContact O-CB 3.46Å; A80-F84 PolarHBondContact O-N 3.45Å; T81-F84 PolarHBondContact O-N 2.82Å; E82-F84 VanDerWaalsContact C-N 3.31Å; E82-F84 PolarHBondContact O-N 2.9Å; F84-H89 AromaticContact CD2-CE1 3.65Å; F84-H89 AromaticContact CD2-CG 3.9Å; F84-H89 AromaticContact CD2-ND1 3.34Å; F84-H89 VanDerWaalsContact CD2-ND1 3.34Å; F84-H89 WeakPolarHBondContact CD2-ND1 3.3Å; F84-H89 HydrophobicContact CE1-CB 4.22Å; F84-H89 HydrophobicContact CE2-CB 3.82Å; F84-H89 AromaticContact CE2-CD2 3.99Å; F84-H89 AromaticContact CE2-CE1 3.94Å; F84-H89 AromaticContact CE2-CG 3.47Å; F84-H89 VanDerWaalsContact CE2-CG 3.47Å; F84-H89 AromaticContact CE2-ND1 3.44Å; F84-H89 WeakPolarHBondContact CE2-ND1 3.38Å; F84-H89 AromaticContact CG-ND1 3.86Å; F84-H89 HydrophobicContact CZ-CB 3.64Å; F84-H89 AromaticContact CZ-CG 3.86Å; F84-H89 PolarHBondContact O-ND1 3.28Å; F84-R94 HydrophobicContact CE1-CG 3.9Å; F84-R94 HydrophobicContact CZ-CG 3.7Å; F84-L97 HydrophobicContact CE2-CD2 4.08Å; F84-L97 HydrophobicContact CZ-CD2 3.98Å
85	E	94.8	Very high	94.2	Very high	77 Å²	77	68.6 Å²	68.6	36%	0.36	38%	0.384	S	S	.	.	H	α-helix	trans	-75.8	-35.7	178.4	-67.1	-62.4	124	0	0	112.4	H52 T81 E82 V87 G88 R94	H52-E85 IonicContact CE1-OE1 3.76Å; H52-E85 IonicContact NE2-OE1 2.74Å; H52-E85 PolarHBondContact NE2-OE1 3.47Å; T81-E85 WeakPolarHBondContact O-CG 3.39Å; T81-E85 PolarHBondContact O-N 3.2Å; E82-E85 PolarHBondContact O-N 2.98Å; E85-V87 VanDerWaalsContact C-N 3.34Å; E85-V87 PolarHBondContact O-N 2.84Å; E85-G88 PolarHBondContact O-N 2.77Å; E85-G88 VanDerWaalsContact O-N 3.12Å; E85-R94 VanDerWaalsContact CD-NH2 3.32Å; E85-R94 IonicContact OE1-CZ 3.84Å; E85-R94 IonicContact OE1-NH2 3.02Å; E85-R94 PolarHBondContact OE1-NH2 3.18Å; E85-R94 IonicContact OE2-NH2 2.96Å; E85-R94 PolarHBondContact OE2-NH2 2.83Å
86	D	94.9	Very high	94.1	Very high	146 Å²	146	69.3 Å²	69.3	78%	0.781	39%	0.388	S	S	*	.	H	α-helix	trans	-62.3	-40.7	178.1	-173.8	-105	0	0	0	112.1	E82 G88	E82-D86 VanDerWaalsContact O-CB 3.3Å; E82-D86 WeakPolarHBondContact O-CB 3.46Å; E82-D86 PolarHBondContact O-N 3.2Å; D86-G88 VanDerWaalsContact C-N 3.25Å; D86-G88 PolarHBondContact O-N 2.91Å
87	V	93.9	Very high	94.1	Very high	99 Å²	99	69.8 Å²	69.8	60%	0.6	39%	0.388	S	S	*	.	H	α-helix	trans	-66.3	-29.1	175.6	172.5	0	0	0	0	112	S83 E85	S83-V87 VanDerWaalsContact O-CG2 3.27Å; S83-V87 WeakPolarHBondContact O-CG2 3.28Å; S83-V87 PolarHBondContact O-N 3.04Å; E85-V87 VanDerWaalsContact C-N 3.34Å; E85-V87 PolarHBondContact O-N 2.84Å
88	G	93.8	Very high	94	Very high	52 Å²	52	74.3 Å²	74.3	54%	0.536	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.5	50.7	179.4	0	0	0	0	0	113.8	E85 D86	E85-G88 PolarHBondContact O-N 2.77Å; E85-G88 VanDerWaalsContact O-N 3.12Å; D86-G88 VanDerWaalsContact C-N 3.25Å; D86-G88 PolarHBondContact O-N 2.91Å
89	H	94.2	Very high	94	Very high	48 Å²	48	79 Å²	79	22%	0.222	43%	0.425	C	S	.	.			trans	-53.5	139.8	176.7	-72.1	87.3	0	0	0	112.9	H65 F84 A93 R94	H65-H89 AromaticContact NE2-NE2 3.94Å; F84-H89 AromaticContact CD2-CE1 3.65Å; F84-H89 AromaticContact CD2-CG 3.9Å; F84-H89 AromaticContact CD2-ND1 3.34Å; F84-H89 VanDerWaalsContact CD2-ND1 3.34Å; F84-H89 WeakPolarHBondContact CD2-ND1 3.3Å; F84-H89 HydrophobicContact CE1-CB 4.22Å; F84-H89 HydrophobicContact CE2-CB 3.82Å; F84-H89 AromaticContact CE2-CD2 3.99Å; F84-H89 AromaticContact CE2-CE1 3.94Å; F84-H89 AromaticContact CE2-CG 3.47Å; F84-H89 VanDerWaalsContact CE2-CG 3.47Å; F84-H89 AromaticContact CE2-ND1 3.44Å; F84-H89 WeakPolarHBondContact CE2-ND1 3.38Å; F84-H89 AromaticContact CG-ND1 3.86Å; F84-H89 HydrophobicContact CZ-CB 3.64Å; F84-H89 AromaticContact CZ-CG 3.86Å; F84-H89 PolarHBondContact O-ND1 3.28Å; H89-A93 HydrophobicContact CB-CB 4.17Å; H89-R94 PolarHBondContact O-NE 2.99Å
90	S	95.1	Very high	93.9	Very high	72 Å²	72	77.7 Å²	77.7	50%	0.503	42%	0.416	S	S	.	.			trans	-64.8	162.9	179	65.9	0	0	0	0	112.2	D92 A93 R94	S90-D92 VanDerWaalsContact C-N 3.25Å; S90-D92 PolarHBondContact O-N 3.1Å; S90-A93 PolarHBondContact O-N 2.95Å; S90-A93 PolarHBondContact OG-N 3.13Å; S90-R94 WeakPolarHBondContact O-CG 3.1Å; S90-R94 PolarHBondContact O-N 2.88Å; S90-R94 VanDerWaalsContact O-N 3.1Å
91	T	94	Very high	93.9	Very high	105 Å²	105	80.6 Å²	80.6	64%	0.644	43%	0.426	S	S	*	.	H	α-helix	trans	-57.1	-41	175.2	-49.2	0	0	0	0	112	A93 R94 E95	T91-A93 PolarHBondContact O-N 2.76Å; T91-R94 WeakPolarHBondContact O-CB 3.39Å; T91-R94 PolarHBondContact O-N 3.43Å; T91-R94 VanDerWaalsContact O-N 3.15Å; T91-E95 WeakPolarHBondContact O-CG 3.38Å; T91-E95 PolarHBondContact O-N 2.83Å
92	D	93.9	Very high	93.9	Very high	106 Å²	106	81.6 Å²	81.6	57%	0.567	43%	0.43	S	S	*	.	H	α-helix	trans	-61.9	-43.1	178.4	-174.5	-99.7	0	0	0	111.9	S90 R94 E95 M96	S90-D92 VanDerWaalsContact C-N 3.25Å; S90-D92 PolarHBondContact O-N 3.1Å; D92-R94 VanDerWaalsContact C-N 3.29Å; D92-R94 PolarHBondContact O-N 2.87Å; D92-E95 PolarHBondContact O-N 2.79Å; D92-M96 PolarHBondContact O-N 3.07Å
93	A	92.9	Very high	93.9	Very high	29 Å²	29	73.4 Å²	73.4	24%	0.24	39%	0.392	C	S	.	.	H	α-helix	trans	-63.1	-36.1	175.1	0	0	0	0	0	112.3	H89 S90 T91 M96 L97	H89-A93 HydrophobicContact CB-CB 4.17Å; S90-A93 PolarHBondContact O-N 2.95Å; S90-A93 PolarHBondContact OG-N 3.13Å; T91-A93 PolarHBondContact O-N 2.76Å; A93-M96 PolarHBondContact O-N 3.3Å; A93-L97 WeakPolarHBondContact O-CB 3.44Å; A93-L97 PolarHBondContact O-N 3.48Å
94	R	93.9	Very high	94	Very high	103 Å²	103	72.6 Å²	72.6	39%	0.389	38%	0.383	S	S	.	.	H	α-helix	trans	-68.5	-36.3	174.9	-68.6	168.3	173.6	-159.9	-11.3	112.2	F84 E85 H89 S90 T91 D92 Q98	F84-R94 HydrophobicContact CE1-CG 3.9Å; F84-R94 HydrophobicContact CZ-CG 3.7Å; E85-R94 VanDerWaalsContact CD-NH2 3.32Å; E85-R94 IonicContact OE1-CZ 3.84Å; E85-R94 IonicContact OE1-NH2 3.02Å; E85-R94 PolarHBondContact OE1-NH2 3.18Å; E85-R94 IonicContact OE2-NH2 2.96Å; E85-R94 PolarHBondContact OE2-NH2 2.83Å; H89-R94 PolarHBondContact O-NE 2.99Å; S90-R94 WeakPolarHBondContact O-CG 3.1Å; S90-R94 PolarHBondContact O-N 2.88Å; S90-R94 VanDerWaalsContact O-N 3.1Å; T91-R94 WeakPolarHBondContact O-CB 3.39Å; T91-R94 PolarHBondContact O-N 3.43Å; T91-R94 VanDerWaalsContact O-N 3.15Å; D92-R94 VanDerWaalsContact C-N 3.29Å; D92-R94 PolarHBondContact O-N 2.87Å; R94-Q98 PolarHBondContact O-N 2.94Å
95	E	94.2	Very high	93.9	Very high	132 Å²	132	71.7 Å²	71.7	62%	0.617	38%	0.379	S	S	*	.	H	α-helix	trans	-69	-40.2	174.3	-71.2	-173.8	106.9	0	0	111.4	T91 D92 Q98	T91-E95 WeakPolarHBondContact O-CG 3.38Å; T91-E95 PolarHBondContact O-N 2.83Å; D92-E95 PolarHBondContact O-N 2.79Å; E95-Q98 VanDerWaalsContact O-CB 3.31Å; E95-Q98 WeakPolarHBondContact O-CB 3.18Å; E95-Q98 PolarHBondContact O-N 2.78Å
96	M	92.6	Very high	93.8	Very high	73 Å²	73	71.5 Å²	71.5	36%	0.36	38%	0.378	S	S	.	.	H	α-helix	trans	-62.7	-43.6	173.8	-170.5	-175.7	-64	0	0	111.6	F61 D92 A93 Q98 Q99 F100	F61-M96 HydrophobicContact CD2-SD 4.42Å; F61-M96 HydrophobicContact CE2-SD 3.66Å; F61-M96 HydrophobicContact CZ-SD 4.17Å; D92-M96 PolarHBondContact O-N 3.07Å; A93-M96 PolarHBondContact O-N 3.3Å; M96-Q98 PolarHBondContact O-N 3.43Å; M96-Q98 VanDerWaalsContact O-N 3.13Å; M96-Q99 VanDerWaalsContact O-CB 3.25Å; M96-Q99 WeakPolarHBondContact O-CB 3.35Å; M96-Q99 WeakPolarHBondContact O-CG 3.24Å; M96-Q99 PolarHBondContact O-N 3.27Å; M96-F100 HydrophobicContact CG-CE2 4.25Å; M96-F100 WeakPolarHBondContact O-CD2 3.25Å
97	L	93.6	Very high	93.4	Very high	20 Å²	20	70.7 Å²	70.7	11%	0.105	37%	0.371	C	S	.	.	H	α-helix	trans	-52.9	-36.9	175.2	178.2	66	0	0	0	111.9	I51 Y56 I58 F84 A93 Q99 F100	I51-L97 HydrophobicContact CD1-CD1 4.03Å; I51-L97 HydrophobicContact CD1-CD2 3.61Å; I51-L97 HydrophobicContact CD1-CG 4.47Å; I51-L97 HydrophobicContact CG2-CD2 4.33Å; Y56-L97 HydrophobicContact CD1-CD1 3.74Å; Y56-L97 HydrophobicContact CD1-CG 3.75Å; Y56-L97 WeakPolarHBondContact CD1-O 3.32Å; Y56-L97 HydrophobicContact CD2-CD1 4.22Å; Y56-L97 HydrophobicContact CD2-CG 4.46Å; Y56-L97 HydrophobicContact CE1-CD1 4.21Å; Y56-L97 HydrophobicContact CE1-CD2 4.24Å; Y56-L97 HydrophobicContact CE1-CG 3.7Å; Y56-L97 WeakPolarHBondContact CE1-O 3.42Å; Y56-L97 HydrophobicContact CE2-CD2 4.25Å; Y56-L97 HydrophobicContact CE2-CG 4.43Å; Y56-L97 HydrophobicContact CG-CD1 3.72Å; Y56-L97 HydrophobicContact CG-CG 4.13Å; I58-L97 HydrophobicContact CG2-CD1 4.49Å; F84-L97 HydrophobicContact CE2-CD2 4.08Å; F84-L97 HydrophobicContact CZ-CD2 3.98Å; A93-L97 WeakPolarHBondContact O-CB 3.44Å; A93-L97 PolarHBondContact O-N 3.48Å; L97-Q99 PolarHBondContact O-N 2.99Å; L97-Q99 VanDerWaalsContact O-N 3.15Å; L97-F100 PolarHBondContact O-N 2.92Å
98	Q	93.1	Very high	92.9	Very high	97 Å²	97	70.5 Å²	70.5	45%	0.453	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-62.7	-22	-179.3	-167.9	56	81.4	0	0	113.5	R94 E95 M96 F100 Y101	R94-Q98 PolarHBondContact O-N 2.94Å; E95-Q98 VanDerWaalsContact O-CB 3.31Å; E95-Q98 WeakPolarHBondContact O-CB 3.18Å; E95-Q98 PolarHBondContact O-N 2.78Å; M96-Q98 PolarHBondContact O-N 3.43Å; M96-Q98 VanDerWaalsContact O-N 3.13Å; Q98-F100 VanDerWaalsContact C-N 3.26Å; Q98-F100 PolarHBondContact O-N 3.07Å; Q98-Y101 WeakPolarHBondContact O-CB 3.36Å; Q98-Y101 PolarHBondContact O-N 2.96Å
99	Q	93	Very high	92.4	Very high	153 Å²	153	71 Å²	71	72%	0.715	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-69.7	-25.4	176.3	-57.1	-179.5	-51.6	0	0	112.6	M96 L97 Y101	M96-Q99 VanDerWaalsContact O-CB 3.25Å; M96-Q99 WeakPolarHBondContact O-CB 3.35Å; M96-Q99 WeakPolarHBondContact O-CG 3.24Å; M96-Q99 PolarHBondContact O-N 3.27Å; L97-Q99 PolarHBondContact O-N 2.99Å; L97-Q99 VanDerWaalsContact O-N 3.15Å; Q99-Y101 VanDerWaalsContact C-N 3.35Å
100	F	94.1	Very high	91.9	Very high	45 Å²	45	71.9 Å²	71.9	20%	0.197	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-92.4	5.5	-179	-61.6	-71	0	0	0	113.2	Y56 D57 F61 M96 L97 Q98 I102	Y56-F100 CarbonylContact C-O 3.53Å; Y56-F100 VanDerWaalsContact CA-O 3.25Å; Y56-F100 WeakPolarHBondContact CA-O 3.21Å; D57-F100 PolarHBondContact N-O 3Å; D57-F100 WeakPolarHBondContact O-CB 3.35Å; D57-F100 VanDerWaalsContact O-CD1 3.25Å; D57-F100 WeakPolarHBondContact O-CD1 3.29Å; F61-F100 HydrophobicContact CB-CE1 4.08Å; F61-F100 HydrophobicContact CB-CE2 4.09Å; F61-F100 HydrophobicContact CB-CZ 3.73Å; F61-F100 HydrophobicContact CD2-CE2 4.13Å; F61-F100 HydrophobicContact CD2-CZ 4.05Å; F61-F100 HydrophobicContact CG-CE2 4.11Å; F61-F100 HydrophobicContact CG-CZ 4.1Å; M96-F100 HydrophobicContact CG-CE2 4.25Å; M96-F100 WeakPolarHBondContact O-CD2 3.25Å; L97-F100 PolarHBondContact O-N 2.92Å; Q98-F100 VanDerWaalsContact C-N 3.26Å; Q98-F100 PolarHBondContact O-N 3.07Å; F100-I102 PolarHBondContact O-N 3.31Å
101	Y	94.8	Very high	90.7	Very high	66 Å²	66	77.7 Å²	77.7	26%	0.259	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	126.6	-176.6	172.3	-96.6	0	0	0	112.3	T30 K54 Y56 Q98 Q99 G103 E104	T30-Y101 WeakPolarHBondContact CG2-OH 3.45Å; K54-Y101 HydrophobicContact CB-CD2 4.1Å; K54-Y101 HydrophobicContact CB-CE2 3.94Å; K54-Y101 HydrophobicContact CD-CD2 4.46Å; K54-Y101 HydrophobicContact CD-CE2 4.19Å; K54-Y101 HydrophobicContact CG-CE2 4.01Å; Y56-Y101 HydrophobicContact CE1-CD2 4.11Å; Y56-Y101 HydrophobicContact CE1-CG 4.5Å; Q98-Y101 WeakPolarHBondContact O-CB 3.36Å; Q98-Y101 PolarHBondContact O-N 2.96Å; Q99-Y101 VanDerWaalsContact C-N 3.35Å; Y101-G103 WeakPolarHBondContact CE2-O 3.33Å; Y101-E104 HydrophobicContact CE2-CG 4.19Å; Y101-E104 VanDerWaalsContact OH-CG 3.32Å; Y101-E104 WeakPolarHBondContact OH-CG 3.17Å
102	I	94.5	Very high	88.8	Confident	45 Å²	45	81.1 Å²	81.1	23%	0.231	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	-20	179.3	63.5	169.1	0	0	0	113.4	Y33 W48 I55 D57 F100	Y33-I102 HydrophobicContact CE2-CD1 4.25Å; Y33-I102 HydrophobicContact CE2-CG1 4.18Å; W48-I102 HydrophobicContact CD2-CD1 3.57Å; W48-I102 HydrophobicContact CE3-CD1 3.69Å; W48-I102 HydrophobicContact CG-CD1 4.28Å; W48-I102 HydrophobicContact CH2-CD1 3.72Å; W48-I102 HydrophobicContact CZ2-CD1 3.58Å; W48-I102 HydrophobicContact CZ3-CD1 3.77Å; I55-I102 HydrophobicContact CB-CG1 4.13Å; I55-I102 HydrophobicContact CG2-CD1 3.74Å; I55-I102 HydrophobicContact CG2-CG1 3.76Å; I55-I102 WeakPolarHBondContact O-CG1 3.46Å; I55-I102 PolarHBondContact O-N 3.25Å; D57-I102 HydrophobicContact CB-CD1 4.33Å; D57-I102 HydrophobicContact CB-CG2 3.75Å; F100-I102 PolarHBondContact O-N 3.31Å
103	G	94	Very high	86.9	Confident	0 Å²	0	84.2 Å²	84.2	0%	0	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.4	-165.9	-179.5	0	0	0	0	0	113.9	K31 I55 Y101	K31-G103 CarbonylContact O-C 3.58Å; K31-G103 WeakPolarHBondContact O-CA 3.13Å; I55-G103 PolarHBondContact N-O 3.21Å; Y101-G103 WeakPolarHBondContact CE2-O 3.33Å
104	E	94.3	Very high	84.6	Confident	33 Å²	33	89.6 Å²	89.6	15%	0.154	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	158	178	-61.1	-166	171.5	0	0	112.4	T30 K31 Y32 Y33 K54 Y101 R110	T30-E104 HydrophobicContact CG2-CB 3.97Å; T30-E104 HydrophobicContact CG2-CG 3.59Å; K31-E104 PolarHBondContact O-N 3.08Å; Y32-E104 CarbonylContact C-O 3.53Å; Y32-E104 WeakPolarHBondContact CA-O 3.42Å; Y32-E104 HydrophobicContact CD1-CB 4.11Å; Y32-E104 HydrophobicContact CE1-CB 4.12Å; Y33-E104 PolarHBondContact N-O 2.95Å; K54-E104 HydrophobicContact CG-CG 4.25Å; K54-E104 IonicContact NZ-OE1 3.71Å; K54-E104 PolarHBondContact NZ-OE1 3.22Å; Y101-E104 HydrophobicContact CE2-CG 4.19Å; Y101-E104 VanDerWaalsContact OH-CG 3.32Å; Y101-E104 WeakPolarHBondContact OH-CG 3.17Å; E104-R110 VanDerWaalsContact CB-NH2 3.31Å; E104-R110 IonicContact OE2-CZ 2.79Å; E104-R110 IonicContact OE2-NH1 3.7Å; E104-R110 PolarHBondContact OE2-NH1 3.34Å; E104-R110 IonicContact OE2-NH2 3.75Å; E104-R110 PolarHBondContact OE2-NH2 3.06Å
105	L	92.9	Very high	82.2	Confident	5 Å²	5	89.9 Å²	89.9	3%	0.026	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	141.1	174.1	-165.9	69	0	0	0	110.5	Y33 L35 I50 N53 I55 D109 R110	Y33-L105 CarbonylContact O-C 3.59Å; Y33-L105 WeakPolarHBondContact O-CA 3.41Å; L35-L105 HydrophobicContact CB-CD1 4.4Å; L35-L105 HydrophobicContact CD1-CD1 4.49Å; I50-L105 HydrophobicContact CD1-CD1 3.9Å; N53-L105 HydrophobicContact CB-CB 4.48Å; N53-L105 PolarHBondContact O-N 3.2Å; I55-L105 HydrophobicContact CD1-CD1 4.37Å; L105-D109 HydrophobicContact CD1-CB 4.34Å; L105-D109 HydrophobicContact CD2-CB 4.06Å; L105-D109 HydrophobicContact CG-CB 4.05Å; L105-R110 HydrophobicContact CB-CG 4.4Å; L105-R110 HydrophobicContact CD2-CG 4.45Å; L105-R110 VanDerWaalsContact O-CZ 3.3Å; L105-R110 PolarHBondContact O-NE 3.37Å; L105-R110 PolarHBondContact O-NH2 3.46Å
106	H	92.1	Very high	80.1	Confident	73 Å²	73	93.3 Å²	93.3	34%	0.338	45%	0.45	S	S	.	.			trans	-61.7	142.5	178.1	-171	-99.2	0	0	0	111.2	Y33 T34 S108 D109 R110	Y33-H106 WeakPolarHBondContact O-CB 3.08Å; Y33-H106 PolarHBondContact O-N 3.27Å; T34-H106 HydrophobicContact CG2-CB 4.22Å; H106-S108 PolarHBondContact CE1-OG 2.6Å; H106-S108 WeakPolarHBondContact ND1-CB 3.27Å; H106-S108 PolarHBondContact ND1-N 3.24Å; H106-S108 PolarHBondContact ND1-OG 2.99Å; H106-S108 PolarHBondContact O-N 2.94Å; H106-S108 VanDerWaalsContact O-N 3.12Å; H106-D109 PolarHBondContact O-N 3.04Å; H106-R110 PolarHBondContact O-N 3.34Å
107	M	85.6	Confident	78	Confident	129 Å²	129	95.6 Å²	95.6	64%	0.635	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-30.1	-172.8	-65.9	176.3	-175.4	0	0	113.6	D109	M107-D109 VanDerWaalsContact C-N 3.27Å; M107-D109 PolarHBondContact O-N 2.83Å
108	S	83.9	Confident	76.3	Confident	95 Å²	95	99.2 Å²	99.2	66%	0.664	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-29.4	177.2	-55.1	0	0	0	0	113.3	H106	H106-S108 PolarHBondContact CE1-OG 2.6Å; H106-S108 WeakPolarHBondContact ND1-CB 3.27Å; H106-S108 PolarHBondContact ND1-N 3.24Å; H106-S108 PolarHBondContact ND1-OG 2.99Å; H106-S108 PolarHBondContact O-N 2.94Å; H106-S108 VanDerWaalsContact O-N 3.12Å
109	D	84.3	Confident	73.9	Confident	62 Å²	62	102.8 Å²	102.8	33%	0.332	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-11.5	-174.7	-61.1	-67.6	0	0	0	112.6	L35 L105 H106 M107 K111	L35-D109 HydrophobicContact CB-CB 3.99Å; L105-D109 HydrophobicContact CD1-CB 4.34Å; L105-D109 HydrophobicContact CD2-CB 4.06Å; L105-D109 HydrophobicContact CG-CB 4.05Å; H106-D109 PolarHBondContact O-N 3.04Å; M107-D109 VanDerWaalsContact C-N 3.27Å; M107-D109 PolarHBondContact O-N 2.83Å; D109-K111 PolarHBondContact O-N 2.9Å; D109-K111 VanDerWaalsContact O-N 3.17Å
110	R	82.4	Confident	71.9	Confident	67 Å²	67	99.4 Å²	99.4	25%	0.253	52%	0.521	S	S	.	.	S	Bend	trans	-61.6	121.5	171.2	-66.3	-176.4	-166.4	-154	-2.3	108.2	N53 E104 L105 H106 K112	N53-R110 HydrophobicContact CB-CG 4.4Å; E104-R110 VanDerWaalsContact CB-NH2 3.31Å; E104-R110 IonicContact OE2-CZ 2.79Å; E104-R110 IonicContact OE2-NH1 3.7Å; E104-R110 PolarHBondContact OE2-NH1 3.34Å; E104-R110 IonicContact OE2-NH2 3.75Å; E104-R110 PolarHBondContact OE2-NH2 3.06Å; L105-R110 HydrophobicContact CB-CG 4.4Å; L105-R110 HydrophobicContact CD2-CG 4.45Å; L105-R110 VanDerWaalsContact O-CZ 3.3Å; L105-R110 PolarHBondContact O-NE 3.37Å; L105-R110 PolarHBondContact O-NH2 3.46Å; H106-R110 PolarHBondContact O-N 3.34Å; R110-K112 PolarHBondContact O-N 2.97Å
111	K	69.8	Low	69.3	Low	193 Å²	193	107.1 Å²	107.1	84%	0.839	55%	0.554	S	S	*	*			trans	-54.8	103.7	171.5	-168.2	176.7	-175.8	-173.3	0	107.4	D109 E113	D109-K111 PolarHBondContact O-N 2.9Å; D109-K111 VanDerWaalsContact O-N 3.17Å; K111-E113 PolarHBondContact O-N 3.33Å
112	K	53.9	Low	66.7	Low	178 Å²	178	111.2 Å²	111.2	77%	0.774	58%	0.581	S	S	*	*			trans	-57.6	103.5	177.4	-72.1	-179.4	-178	176.4	0	107.6	R110 N114	R110-K112 PolarHBondContact O-N 2.97Å; K112-N114 VanDerWaalsContact C-N 3.31Å; K112-N114 PolarHBondContact O-N 2.85Å
113	E	53.9	Low	64.5	Low	170 Å²	170	113.2 Å²	113.2	79%	0.794	60%	0.604	S	S	*	*			trans	-57.5	105.5	156	57.9	-159.5	101.5	0	0	106.3	K111 T115	K111-E113 PolarHBondContact O-N 3.33Å; E113-T115 PolarHBondContact O-N 2.87Å
114	N	45.5	Very low	62.2	Low	143 Å²	143	116.8 Å²	116.8	77%	0.765	64%	0.641	S	S	*	*			trans	-66.3	96.3	-165.5	-139.5	-14.4	0	0	0	108.3	K112 K116	K112-N114 VanDerWaalsContact C-N 3.31Å; K112-N114 PolarHBondContact O-N 2.85Å; N114-K116 PolarHBondContact O-N 3.44Å
115	T	43.7	Very low	59.5	Low	109 Å²	109	124.4 Å²	124.4	67%	0.669	68%	0.676	S	S	*	*			trans	-56.1	111.2	154.9	-60.5	0	0	0	0	105.2	E113 V117	E113-T115 PolarHBondContact O-N 2.87Å; T115-V117 VanDerWaalsContact C-N 3.3Å; T115-V117 HydrophobicContact CG2-CG1 4.39Å; T115-V117 PolarHBondContact O-N 2.91Å
116	K	49.8	Very low	57.6	Low	203 Å²	203	129.8 Å²	129.8	88%	0.883	72%	0.715	S	S	*	*			trans	-55.2	95.7	171.7	-66.9	-179.8	180	-178.4	0	108.7	N114	N114-K116 PolarHBondContact O-N 3.44Å
117	V	49.3	Very low	55.7	Low	122 Å²	122	131.3 Å²	131.3	74%	0.739	73%	0.733	S	S	*	*			trans	-130.8	112.7	157.7	-72	0	0	0	0	107	T115 D119	T115-V117 VanDerWaalsContact C-N 3.3Å; T115-V117 HydrophobicContact CG2-CG1 4.39Å; T115-V117 PolarHBondContact O-N 2.91Å; V117-D119 PolarHBondContact O-N 3.2Å
118	A	56.5	Low	54	Low	96 Å²	96	127.7 Å²	127.7	79%	0.793	72%	0.721	S	S	*	*			trans	-61	121	175.3	0	0	0	0	0	109
119	D	42.7	Very low	52.8	Low	171 Å²	171	128.6 Å²	128.6	91%	0.914	73%	0.727	S	S	*	*			trans	-153	133.8	148.2	-108	-65.5	0	0	0	109.4	V117	V117-D119 PolarHBondContact O-N 3.2Å
120	A	50.9	Low	51.3	Low	82 Å²	82	134.2 Å²	134.2	68%	0.678	74%	0.744	S	S	*	*			trans	-97.5	162.1	-169	0	0	0	0	0	111.7
121	K	40	Very low	50.1	Low	207 Å²	207	132.5 Å²	132.5	90%	0.9	74%	0.744	S	S	*	*			trans	85.2	137.1	166.5	-61.3	178	178.1	169.2	0	113.4
122	D	41.5	Very low	49.3	Very low	152 Å²	152	130.5 Å²	130.5	81%	0.813	74%	0.739	S	S	*	*			cis	-176.1	115.6	8.5	177.4	-104.7	0	0	0	100.9
123	A	48.2	Very low	49.7	Very low	88 Å²	88	132.3 Å²	132.3	73%	0.727	74%	0.741	S	S	*	*				128.1	127	79.1	0	0	0	0	0	105.7
124	G	46	Very low	50	Low	74 Å²	74	128.1 Å²	128.1	76%	0.763	72%	0.724	S	S	*	*			trans	132.3	54.3	166.3	0	0	0	0	0	114.7
125	E	35.8	Very low	51.1	Low	193 Å²	193	126.8 Å²	126.8	90%	0.902	72%	0.716	S	S	*	*			trans	-139.5	124.3	170.1	-68.1	-170.1	95.6	0	0	113
126	S	54.2	Low	52.1	Low	119 Å²	119	125.4 Å²	125.4	83%	0.832	71%	0.709	S	S	*	*			trans	-49.5	140	152.7	-60.5	0	0	0	0	111.9
127	S	52.1	Low	53	Low	104 Å²	104	119.7 Å²	119.7	73%	0.727	69%	0.69	S	S	*	*			trans	146	89.1	149.4	56.5	0	0	0	0	110.7	S129	S127-S129 PolarHBondContact O-N 3.26Å
128	S	49.4	Very low	54.3	Low	54 Å²	54	118.5 Å²	118.5	38%	0.378	68%	0.684	S	S	.	*			trans	-93.3	76.9	178	-160.1	0	0	0	0	111.7	W130 A131	S128-W130 PolarHBondContact O-N 3.21Å; S128-W130 VanDerWaalsContact OG-CD1 3.24Å; S128-W130 PolarHBondContact OG-NE1 2.6Å; S128-W130 VanDerWaalsContact OG-NE1 3.09Å; S128-A131 WeakPolarHBondContact OG-CB 3.44Å; S128-A131 PolarHBondContact OG-N 3.09Å
129	S	59.4	Low	55.1	Low	113 Å²	113	116.6 Å²	116.6	79%	0.79	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	5.6	162.4	-58.9	0	0	0	0	112.8	S127	S127-S129 PolarHBondContact O-N 3.26Å
130	W	52.3	Low	56.7	Low	181 Å²	181	111.6 Å²	111.6	69%	0.686	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109	-24	172	67	-83.5	0	0	0	113	S128 M132 W133 L134	S128-W130 PolarHBondContact O-N 3.21Å; S128-W130 VanDerWaalsContact OG-CD1 3.24Å; S128-W130 PolarHBondContact OG-NE1 2.6Å; S128-W130 VanDerWaalsContact OG-NE1 3.09Å; W130-M132 PolarHBondContact O-N 2.98Å; W130-W133 PolarHBondContact O-N 3.01Å; W130-L134 HydrophobicContact CE3-CD1 3.43Å; W130-L134 VanDerWaalsContact CE3-CD1 3.43Å; W130-L134 HydrophobicContact CE3-CG 4.48Å; W130-L134 HydrophobicContact CH2-CD1 4.48Å; W130-L134 HydrophobicContact CZ3-CD1 3.29Å
131	A	56.4	Low	58	Low	30 Å²	30	110.6 Å²	110.6	25%	0.248	64%	0.642	C	S	.	*	H	α-helix	trans	-65.6	-24.1	173.4	0	0	0	0	0	112.6	S128 W133 L134 I135	S128-A131 WeakPolarHBondContact OG-CB 3.44Å; S128-A131 PolarHBondContact OG-N 3.09Å; A131-W133 PolarHBondContact O-N 3.16Å; A131-L134 PolarHBondContact O-N 3.37Å; A131-L134 VanDerWaalsContact O-N 3.12Å; A131-I135 WeakPolarHBondContact O-CD1 3.44Å; A131-I135 VanDerWaalsContact O-CG1 3.24Å; A131-I135 WeakPolarHBondContact O-CG1 3.34Å; A131-I135 PolarHBondContact O-N 2.96Å; A131-I135 VanDerWaalsContact O-N 3.12Å
132	M	53.8	Low	59.8	Low	151 Å²	151	103.2 Å²	103.2	74%	0.744	62%	0.619	S	S	*	*	H	α-helix	trans	-68	-15.6	-178	-119.6	150.9	-178.6	0	0	114.3	W130	W130-M132 PolarHBondContact O-N 2.98Å
133	W	61.2	Low	61.7	Low	216 Å²	216	100.4 Å²	100.4	82%	0.818	61%	0.607	S	S	*	*	H	α-helix	trans	-99.4	-19.6	171.1	-83	45.7	0	0	0	113.5	W130 A131 T137	W130-W133 PolarHBondContact O-N 3.01Å; A131-W133 PolarHBondContact O-N 3.16Å; W133-T137 PolarHBondContact O-OG1 3.47Å
134	L	61.5	Low	63.2	Low	82 Å²	82	98.1 Å²	98.1	43%	0.429	59%	0.593	S	S	.	*	H	α-helix	trans	-83.4	-28.3	179.3	-65.3	-179.1	0	0	0	112.7	W130 A131 T137 V138	W130-L134 HydrophobicContact CE3-CD1 3.43Å; W130-L134 VanDerWaalsContact CE3-CD1 3.43Å; W130-L134 HydrophobicContact CE3-CG 4.48Å; W130-L134 HydrophobicContact CH2-CD1 4.48Å; W130-L134 HydrophobicContact CZ3-CD1 3.29Å; A131-L134 PolarHBondContact O-N 3.37Å; A131-L134 VanDerWaalsContact O-N 3.12Å; L134-T137 VanDerWaalsContact CA-OG1 3.29Å; L134-T137 WeakPolarHBondContact CA-OG1 3.31Å; L134-T137 PolarHBondContact O-N 3.02Å; L134-T137 PolarHBondContact O-OG1 3.24Å; L134-V138 WeakPolarHBondContact O-CB 3.47Å; L134-V138 WeakPolarHBondContact O-CG2 3.35Å; L134-V138 PolarHBondContact O-N 3.03Å
135	I	67.4	Low	64.9	Low	116 Å²	116	99.5 Å²	99.5	60%	0.595	59%	0.586	S	S	*	*	H	α-helix	trans	-61.8	-50.4	178.2	-63.5	159.5	0	0	0	112.7	A131 T137 A139	A131-I135 WeakPolarHBondContact O-CD1 3.44Å; A131-I135 VanDerWaalsContact O-CG1 3.24Å; A131-I135 WeakPolarHBondContact O-CG1 3.34Å; A131-I135 PolarHBondContact O-N 2.96Å; A131-I135 VanDerWaalsContact O-N 3.12Å; I135-T137 PolarHBondContact O-N 3.12Å; I135-A139 PolarHBondContact O-N 3.13Å
136	P	65.6	Low	66.9	Low	80 Å²	80	96.2 Å²	96.2	52%	0.519	57%	0.574	S	S	.	*	H	α-helix	trans	-68.6	-32	178.5	24.5	-32.8	0	0	0	113.3	A140	P136-A140 PolarHBondContact O-N 3.23Å; P136-A140 VanDerWaalsContact O-N 3.12Å
137	T	68.6	Low	68.1	Low	82 Å²	82	98.4 Å²	98.4	50%	0.503	57%	0.565	S	S	.	*	H	α-helix	trans	-72	-39.5	179.6	47.4	0	0	0	0	112.4	W133 L134 I135 A140 A141	W133-T137 PolarHBondContact O-OG1 3.47Å; L134-T137 VanDerWaalsContact CA-OG1 3.29Å; L134-T137 WeakPolarHBondContact CA-OG1 3.31Å; L134-T137 PolarHBondContact O-N 3.02Å; L134-T137 PolarHBondContact O-OG1 3.24Å; I135-T137 PolarHBondContact O-N 3.12Å; T137-A140 PolarHBondContact O-N 3.05Å; T137-A141 PolarHBondContact O-N 3.15Å
138	V	76	Confident	69.2	Low	98 Å²	98	102 Å²	102	59%	0.594	56%	0.563	S	S	*	*	H	α-helix	trans	-66.8	-39.1	174.8	173.4	0	0	0	0	111.4	L134 A141 A142	L134-V138 WeakPolarHBondContact O-CB 3.47Å; L134-V138 WeakPolarHBondContact O-CG2 3.35Å; L134-V138 PolarHBondContact O-N 3.03Å; V138-A141 PolarHBondContact O-N 3.38Å; V138-A142 PolarHBondContact O-N 3.47Å
139	A	74.1	Confident	70.7	Confident	55 Å²	55	106 Å²	106	46%	0.455	57%	0.573	S	S	.	*	H	α-helix	trans	-63.4	-43.5	176.6	0	0	0	0	0	112.5	I135 A141 A142 V143	I135-A139 PolarHBondContact O-N 3.13Å; A139-A141 PolarHBondContact O-N 2.93Å; A139-A142 PolarHBondContact O-N 3.44Å; A139-V143 WeakPolarHBondContact O-CG2 3.25Å; A139-V143 PolarHBondContact O-N 2.81Å
140	A	76.1	Confident	71.5	Confident	67 Å²	67	106.3 Å²	106.3	55%	0.554	56%	0.561	S	S	*	*	H	α-helix	trans	-63.3	-40.1	177.5	0	0	0	0	0	112.6	P136 T137 G144	P136-A140 PolarHBondContact O-N 3.23Å; P136-A140 VanDerWaalsContact O-N 3.12Å; T137-A140 PolarHBondContact O-N 3.05Å; A140-G144 PolarHBondContact O-N 3.21Å
141	A	78.1	Confident	72.4	Confident	61 Å²	61	103 Å²	103	50%	0.504	55%	0.554	S	S	.	*	H	α-helix	trans	-64.5	-43	175.9	0	0	0	0	0	111.9	T137 V138 A139 G144 V145	T137-A141 PolarHBondContact O-N 3.15Å; V138-A141 PolarHBondContact O-N 3.38Å; A139-A141 PolarHBondContact O-N 2.93Å; A141-G144 PolarHBondContact O-N 2.98Å; A141-V145 VanDerWaalsContact O-CG2 3.31Å; A141-V145 WeakPolarHBondContact O-CG2 3.34Å; A141-V145 PolarHBondContact O-N 3.04Å
142	A	79	Confident	72.8	Confident	51 Å²	51	108 Å²	108	42%	0.421	57%	0.571	S	S	.	*	H	α-helix	trans	-63.1	-44.3	178.1	0	0	0	0	0	112.2	V138 A139 G144 V145 L146	V138-A142 PolarHBondContact O-N 3.47Å; A139-A142 PolarHBondContact O-N 3.44Å; A142-G144 VanDerWaalsContact C-N 3.34Å; A142-G144 PolarHBondContact O-N 3.29Å; A142-V145 PolarHBondContact O-N 3.02Å; A142-L146 WeakPolarHBondContact O-CG 3.39Å; A142-L146 PolarHBondContact O-N 3.26Å
143	V	79.7	Confident	73.2	Confident	93 Å²	93	106.8 Å²	106.8	56%	0.564	56%	0.563	S	S	*	*	H	α-helix	trans	-62.7	-42.1	175.2	174.8	0	0	0	0	110.8	A139 L146 Y147	A139-V143 WeakPolarHBondContact O-CG2 3.25Å; A139-V143 PolarHBondContact O-N 2.81Å; V143-L146 PolarHBondContact O-N 2.83Å; V143-Y147 WeakPolarHBondContact O-CB 3.25Å; V143-Y147 PolarHBondContact O-N 3.46Å
144	G	80.2	Confident	73.3	Confident	41 Å²	41	103.5 Å²	103.5	42%	0.423	56%	0.557	S	S	.	*	H	α-helix	trans	-61.8	-42.2	175.9	0	0	0	0	0	113.5	A140 A141 A142 Y147 R148	A140-G144 PolarHBondContact O-N 3.21Å; A141-G144 PolarHBondContact O-N 2.98Å; A142-G144 VanDerWaalsContact C-N 3.34Å; A142-G144 PolarHBondContact O-N 3.29Å; G144-Y147 PolarHBondContact O-N 3.14Å; G144-R148 WeakPolarHBondContact O-CB 3.45Å; G144-R148 PolarHBondContact O-N 3.4Å
145	V	81.1	Confident	73	Confident	103 Å²	103	107 Å²	107	62%	0.624	57%	0.569	S	S	*	*	H	α-helix	trans	-65.6	-43.2	177	172.1	0	0	0	0	111.2	A141 A142 R148 F149	A141-V145 VanDerWaalsContact O-CG2 3.31Å; A141-V145 WeakPolarHBondContact O-CG2 3.34Å; A141-V145 PolarHBondContact O-N 3.04Å; A142-V145 PolarHBondContact O-N 3.02Å; V145-R148 PolarHBondContact O-N 3.33Å; V145-F149 PolarHBondContact O-N 3.22Å
146	L	78.2	Confident	72.7	Confident	123 Å²	123	106 Å²	106	64%	0.644	57%	0.572	S	S	*	*	H	α-helix	trans	-64.7	-42	175.9	-70.3	172	0	0	0	111.9	A142 V143 R148 F149 F150	A142-L146 WeakPolarHBondContact O-CG 3.39Å; A142-L146 PolarHBondContact O-N 3.26Å; V143-L146 PolarHBondContact O-N 2.83Å; L146-R148 VanDerWaalsContact C-N 3.33Å; L146-R148 PolarHBondContact O-N 3.1Å; L146-F149 PolarHBondContact O-N 2.94Å; L146-F150 WeakPolarHBondContact O-CB 3.44Å; L146-F150 PolarHBondContact O-N 3.45Å
147	Y	79.1	Confident	72.1	Confident	166 Å²	166	111.5 Å²	111.5	65%	0.651	61%	0.612	S	S	*	*	H	α-helix	trans	-66.6	-36.5	177.3	-143.4	-91.6	0	0	0	111.7	V143 G144 M151	V143-Y147 WeakPolarHBondContact O-CB 3.25Å; V143-Y147 PolarHBondContact O-N 3.46Å; G144-Y147 PolarHBondContact O-N 3.14Å; Y147-M151 VanDerWaalsContact O-CB 3.27Å; Y147-M151 WeakPolarHBondContact O-CB 3.4Å; Y147-M151 PolarHBondContact O-N 2.89Å
148	R	77.1	Confident	72.3	Confident	179 Å²	179	113 Å²	113	68%	0.675	62%	0.618	S	S	*	*	H	α-helix	trans	-65.9	-38.2	175	-164.3	-89.2	179.8	130.5	0.3	111.5	G144 V145 L146 F152	G144-R148 WeakPolarHBondContact O-CB 3.45Å; G144-R148 PolarHBondContact O-N 3.4Å; V145-R148 PolarHBondContact O-N 3.33Å; L146-R148 VanDerWaalsContact C-N 3.33Å; L146-R148 PolarHBondContact O-N 3.1Å; R148-F152 WeakPolarHBondContact O-CB 3.48Å; R148-F152 PolarHBondContact O-N 3.17Å
149	F	79.1	Confident	72.1	Confident	137 Å²	137	113.8 Å²	113.8	60%	0.601	62%	0.619	S	S	*	*	H	α-helix	trans	-67.1	-49.2	175.9	-159.9	-94.9	0	0	0	111.1	V145 L146 M151 F152 E153	V145-F149 PolarHBondContact O-N 3.22Å; L146-F149 PolarHBondContact O-N 2.94Å; F149-M151 PolarHBondContact O-N 3.15Å; F149-F152 WeakPolarHBondContact O-CB 3.29Å; F149-F152 PolarHBondContact O-N 3.48Å; F149-F152 VanDerWaalsContact O-N 3.09Å; F149-E153 WeakPolarHBondContact CD1-OE2 3.38Å; F149-E153 WeakPolarHBondContact CE1-OE2 3.46Å; F149-E153 PolarHBondContact O-N 3.37Å; F149-E153 VanDerWaalsContact O-N 3.14Å
150	F	78.1	Confident	72	Confident	121 Å²	121	117.1 Å²	117.1	53%	0.531	63%	0.628	S	S	.	*	H	α-helix	trans	-62	-38.5	178.7	-170.7	-99.9	0	0	0	113.3	L146 F152 H154	L146-F150 WeakPolarHBondContact O-CB 3.44Å; L146-F150 PolarHBondContact O-N 3.45Å; F150-F152 VanDerWaalsContact C-N 3.34Å; F150-H154 AromaticContact CE1-CD2 3.79Å; F150-H154 AromaticContact CZ-CD2 3.77Å; F150-H154 AromaticContact CZ-NE2 3.73Å; F150-H154 PolarHBondContact O-N 2.91Å
151	M	70.7	Confident	71.8	Confident	110 Å²	110	120 Å²	120	54%	0.542	63%	0.632	S	S	.	*	H	α-helix	trans	-72.9	-25.9	176.7	-159.2	-153	-145.5	0	0	112.8	Y147 F149	Y147-M151 VanDerWaalsContact O-CB 3.27Å; Y147-M151 WeakPolarHBondContact O-CB 3.4Å; Y147-M151 PolarHBondContact O-N 2.89Å; F149-M151 PolarHBondContact O-N 3.15Å
152	F	65	Low	71.4	Confident	136 Å²	136	123.7 Å²	123.7	60%	0.596	64%	0.641	S	S	*	*	H	α-helix	trans	-74.6	-36	176.1	-143	-93.8	0	0	0	111.5	R148 F149 F150 S156	R148-F152 WeakPolarHBondContact O-CB 3.48Å; R148-F152 PolarHBondContact O-N 3.17Å; F149-F152 WeakPolarHBondContact O-CB 3.29Å; F149-F152 PolarHBondContact O-N 3.48Å; F149-F152 VanDerWaalsContact O-N 3.09Å; F150-F152 VanDerWaalsContact C-N 3.34Å; F152-S156 PolarHBondContact O-OG 3.07Å
153	E	62	Low	70.9	Confident	126 Å²	126	128.5 Å²	128.5	59%	0.589	66%	0.655	S	S	*	*	H	α-helix	trans	-68.4	-33.1	172.4	-82.8	167.9	110.5	0	0	112.5	F149 K155	F149-E153 WeakPolarHBondContact CD1-OE2 3.38Å; F149-E153 WeakPolarHBondContact CE1-OE2 3.46Å; F149-E153 PolarHBondContact O-N 3.37Å; F149-E153 VanDerWaalsContact O-N 3.14Å; E153-K155 VanDerWaalsContact C-N 3.31Å; E153-K155 PolarHBondContact O-N 3.33Å
154	H	62.8	Low	70.3	Confident	147 Å²	147	131.1 Å²	131.1	68%	0.681	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-1.7	178.9	-100.5	-85.8	0	0	0	115.8	F150	F150-H154 AromaticContact CE1-CD2 3.79Å; F150-H154 AromaticContact CZ-CD2 3.77Å; F150-H154 AromaticContact CZ-NE2 3.73Å; F150-H154 PolarHBondContact O-N 2.91Å
155	K	55.9	Low	69.5	Low	156 Å²	156	138 Å²	138	68%	0.678	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110	2.9	178	-154.5	91.1	75.4	-167	0	114.2	E153	E153-K155 VanDerWaalsContact C-N 3.31Å; E153-K155 PolarHBondContact O-N 3.33Å
156	S	59.7	Low	68.5	Low	95 Å²	95	140.9 Å²	140.9	66%	0.664	69%	0.685	S	S	*	*			trans	-101.1	27	-175.2	-60.6	0	0	0	0	115.2	F152	F152-S156 PolarHBondContact O-OG 3.07Å
157	S	54.8	Low	67.7	Low	195 Å²	195	142.5 Å²	142.5	100%	1.364	69%	0.688	S	S	*	*			trans	-121.4	0	165.4	-102.2	0	0	0	0	110.8

Retrieved 157 of 157 residues in 119.3 ms (Link to these results)

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