A0A087XYZ3_POEFO Loading...

Ubiquitin-like protein ATG12

Ubiquitin-like protein involved in autophagic vesicle formation.

AlphaFold DB (A0A3B3UCT5), UniProt , Accession A0A087XYZ3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 117 aa.

						>A0A087XYZ3_POEFO|A0A087XYZ3
MSDNAESPTETQKEELHSPSENSATSEEKKKIDVLLKAVGDTPIMKTKKWAVDRGRTVQSLAQFISRFLKLDANEQLFIYVHQSFAPSPDQEVGVLFDCFSSDGKLVLHYCKSQAWG
					

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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	53.8	Low	49	Very low	240 Å²	240	144.5 Å²	144.5	100%	1.182	83%	0.827	S	S	*	*				0	119.6	0	-72.5	179.1	170.8	0	0	107.3
2	S	55	Low	48.3	Very low	122 Å²	122	149 Å²	149	85%	0.853	84%	0.835	S	S	*	*			trans	160.2	85.8	149.1	-81	0	0	0	0	106.7
3	D	44.2	Very low	47.8	Very low	164 Å²	164	151.5 Å²	151.5	88%	0.877	83%	0.831	S	S	*	*			trans	-29.1	131.7	156	-67.4	-105.3	0	0	0	112.8
4	N	58.3	Low	47.2	Very low	167 Å²	167	153.8 Å²	153.8	89%	0.893	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-96.8	124.9	163.6	-169.3	57.7	0	0	0	108.6
5	A	52.3	Low	46.5	Very low	91 Å²	91	154 Å²	154	75%	0.752	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-73.4	160.7	-166.9	0	0	0	0	0	115
6	E	46.9	Very low	45.8	Very low	181 Å²	181	154.6 Å²	154.6	85%	0.846	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-78.8	161.9	-179.9	-179.2	174.6	78.6	0	0	114.2
7	S	49.7	Very low	45.3	Very low	97 Å²	97	156.1 Å²	156.1	68%	0.678	83%	0.828	S	S	*	*			trans	85.3	154.9	157.8	-83	0	0	0	0	119.6
8	P	52.8	Low	44.8	Very low	124 Å²	124	152.5 Å²	152.5	81%	0.805	82%	0.818	S	S	*	*			cis	-136.6	172.7	17.2	35.1	-13.2	0	0	0	118.6
9	T	42.2	Very low	45.1	Very low	116 Å²	116	151.3 Å²	151.3	71%	0.712	82%	0.82	S	S	*	*			trans	-62.9	145.5	169.8	-44.3	0	0	0	0	116.1
10	E	46.3	Very low	45	Very low	187 Å²	187	148.8 Å²	148.8	87%	0.874	81%	0.814	S	S	*	*			trans	-175.4	112.6	143.6	-107.9	179.1	92.7	0	0	109.1
11	T	37.3	Very low	45.1	Very low	101 Å²	101	149.8 Å²	149.8	62%	0.62	81%	0.813	S	S	*	*				74.4	101.8	70.3	-54.9	0	0	0	0	115.9	K13	T11-K13 HydrophobicContact CG2-CB 4.11Å
12	Q	41.1	Very low	44.5	Very low	198 Å²	198	143.8 Å²	143.8	93%	0.925	79%	0.785	S	S	*	*			trans	-135.9	110.2	142.1	-75	176.1	14.5	0	0	103.7
13	K	41.7	Very low	44.2	Very low	182 Å²	182	142.8 Å²	142.8	79%	0.791	78%	0.779	S	S	*	*			cis	68.2	90.3	41	-135.7	-172.5	-166.1	-174.9	0	113.8	T11	T11-K13 HydrophobicContact CG2-CB 4.11Å
14	E	39.7	Very low	44.3	Very low	183 Å²	183	139.5 Å²	139.5	86%	0.855	77%	0.774	S	S	*	*			trans	172.3	135.3	147.3	-97.1	163.4	90.8	0	0	106.7
15	E	35.5	Very low	43.5	Very low	157 Å²	157	133.7 Å²	133.7	73%	0.734	75%	0.745	S	S	*	*			cis	-159.8	147.6	-5.2	-168.6	162.7	89.5	0	0	106.9	H17	E15-H17 PolarHBondContact O-N 3.45Å
16	L	36.7	Very low	43.5	Very low	163 Å²	163	133.2 Å²	133.2	85%	0.853	74%	0.736	S	S	*	*			trans	-64.6	126	-179.1	-66.7	103.2	0	0	0	111.3
17	H	37.3	Very low	43.8	Very low	180 Å²	180	131.6 Å²	131.6	83%	0.833	73%	0.728	S	S	*	*			trans	-100.7	105	155.1	-85.1	-147	0	0	0	109.2	E15	E15-H17 PolarHBondContact O-N 3.45Å
18	S	36	Very low	44	Very low	92 Å²	92	134.6 Å²	134.6	64%	0.643	73%	0.731	S	S	*	*			trans	-45.9	141.2	175.9	47.1	0	0	0	0	114.6	S20	S18-S20 PolarHBondContact O-N 3.18Å
19	P	50.5	Low	44.4	Very low	130 Å²	130	134.5 Å²	134.5	84%	0.844	72%	0.719	S	S	*	*			trans	-78.9	97.9	166.9	30.7	-27.8	0	0	0	109.4	E21	P19-E21 PolarHBondContact O-N 3.06Å
20	S	41.8	Very low	46.4	Very low	100 Å²	100	134.8 Å²	134.8	70%	0.699	71%	0.71	S	S	*	*			trans	-71.2	101	165.8	-86.9	0	0	0	0	110.1	S18 N22	S18-S20 PolarHBondContact O-N 3.18Å; S20-N22 PolarHBondContact O-N 3.44Å
21	E	47.7	Very low	48.6	Very low	170 Å²	170	130.7 Å²	130.7	79%	0.794	69%	0.689	S	S	*	*			trans	-61.7	117.7	165.4	-151.1	173.8	110.9	0	0	109.4	P19	P19-E21 PolarHBondContact O-N 3.06Å
22	N	42.5	Very low	51.4	Low	114 Å²	114	126.2 Å²	126.2	61%	0.61	66%	0.661	S	S	*	*			trans	-141.6	86.4	170.8	-134.7	53	0	0	0	108.5	S20 A24 T25	S20-N22 PolarHBondContact O-N 3.44Å; N22-A24 VanDerWaalsContact C-N 3.29Å; N22-A24 PolarHBondContact O-N 2.92Å; N22-T25 PolarHBondContact O-OG1 2.71Å
23	S	47.9	Very low	54	Low	102 Å²	102	119.4 Å²	119.4	71%	0.713	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	61.5	-165.6	-49	0	0	0	0	112.8
24	A	45.2	Very low	56.6	Low	94 Å²	94	110.7 Å²	110.7	78%	0.777	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-156.5	3.5	164.4	0	0	0	0	0	113.2	N22	N22-A24 VanDerWaalsContact C-N 3.29Å; N22-A24 PolarHBondContact O-N 2.92Å
25	T	43.6	Very low	59.3	Low	46 Å²	46	103.7 Å²	103.7	28%	0.282	56%	0.562	S	S	.	*			trans	-128	20	-162.9	55.4	0	0	0	0	113.6	N22 E27 K29	N22-T25 PolarHBondContact O-OG1 2.71Å; T25-E27 PolarHBondContact O-N 2.99Å; T25-K29 PolarHBondContact O-N 2.9Å
26	S	51.8	Low	62.2	Low	80 Å²	80	96.3 Å²	96.3	56%	0.559	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-18.7	-168.7	-32	0	0	0	0	114.3	K30	S26-K30 WeakPolarHBondContact O-CE 3.42Å; S26-K30 WeakPolarHBondContact O-CG 3.49Å
27	E	53.1	Low	65.1	Low	148 Å²	148	93 Å²	93	69%	0.692	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-35	-175.7	-150.5	150.4	111.3	0	0	112.6	T25 K30	T25-E27 PolarHBondContact O-N 2.99Å; E27-K30 WeakPolarHBondContact O-CB 2.98Å; E27-K30 PolarHBondContact O-N 2.72Å
28	E	53.6	Low	67.9	Low	159 Å²	159	85.8 Å²	85.8	74%	0.743	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-70.2	-34.2	171.9	-73.4	-168.5	108.2	0	0	111.8	K30 K31	E28-K30 PolarHBondContact O-N 3.48Å; E28-K30 VanDerWaalsContact O-N 3.11Å; E28-K31 PolarHBondContact O-N 2.98Å
29	K	60.8	Low	70.7	Confident	123 Å²	123	82.7 Å²	82.7	54%	0.535	46%	0.455	S	S	.	.	G	3₁₀ helix	trans	-61.8	-17.8	172.4	-70.5	-175.8	-178.4	-177.4	0	113.6	T25 R54	T25-K29 PolarHBondContact O-N 2.9Å; K29-R54 WeakPolarHBondContact O-CD 3.31Å
30	K	84.4	Confident	72.5	Confident	122 Å²	122	79.7 Å²	79.7	53%	0.53	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-83.8	-16	176.5	-65.9	173.3	-174.5	176.3	0	112.8	S26 E27 E28 R54	S26-K30 WeakPolarHBondContact O-CE 3.42Å; S26-K30 WeakPolarHBondContact O-CG 3.49Å; E27-K30 WeakPolarHBondContact O-CB 2.98Å; E27-K30 PolarHBondContact O-N 2.72Å; E28-K30 PolarHBondContact O-N 3.48Å; E28-K30 VanDerWaalsContact O-N 3.11Å; K30-R54 VanDerWaalsContact O-CG 3.28Å; K30-R54 WeakPolarHBondContact O-CG 3.18Å; K30-R54 PolarHBondContact O-N 3.27Å
31	K	92.8	Very high	74.7	Confident	101 Å²	101	83.1 Å²	83.1	44%	0.439	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	149.4	-178.4	-68.3	-178.6	179.5	176	0	110.6	E28 A51 V52 D53	E28-K31 PolarHBondContact O-N 2.98Å; K31-A51 HydrophobicContact CB-CB 4.49Å; K31-A51 HydrophobicContact CD-CB 4.38Å; K31-V52 CarbonylContact C-O 3.58Å; K31-V52 VanDerWaalsContact CA-O 3.26Å; K31-V52 WeakPolarHBondContact CA-O 3.21Å; K31-D53 WeakPolarHBondContact CE-OD1 3.41Å; K31-D53 WeakPolarHBondContact CG-OD1 3.32Å
32	I	95.2	Very high	76.7	Confident	6 Å²	6	75.4 Å²	75.4	3%	0.031	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	145.6	179	48.5	164.4	0	0	0	109.4	V34 A51 V52 R54 V93 F97	I32-V34 HydrophobicContact CD1-CG2 3.95Å; I32-V34 HydrophobicContact CG1-CG2 4.11Å; I32-V34 PolarHBondContact O-N 3.35Å; I32-A51 WeakPolarHBondContact O-CA 3.42Å; I32-V52 HydrophobicContact CG1-CB 4.45Å; I32-V52 WeakPolarHBondContact CG1-O 3.18Å; I32-V52 PolarHBondContact N-O 3.17Å; I32-V52 PolarHBondContact O-N 3.4Å; I32-R54 HydrophobicContact CB-CG 4.49Å; I32-R54 HydrophobicContact CG1-CG 4.28Å; I32-R54 HydrophobicContact CG2-CG 3.59Å; I32-V93 HydrophobicContact CD1-CB 4.16Å; I32-V93 HydrophobicContact CD1-CG1 3.61Å; I32-V93 WeakPolarHBondContact CD1-O 3.28Å; I32-F97 HydrophobicContact CB-CB 4.36Å; I32-F97 HydrophobicContact CB-CD1 4.45Å; I32-F97 HydrophobicContact CB-CD2 3.54Å; I32-F97 HydrophobicContact CB-CE2 3.87Å; I32-F97 HydrophobicContact CB-CG 3.88Å; I32-F97 HydrophobicContact CB-CZ 4.45Å; I32-F97 HydrophobicContact CD1-CB 3.61Å; I32-F97 HydrophobicContact CD1-CD2 4.08Å; I32-F97 HydrophobicContact CD1-CG 4.08Å; I32-F97 HydrophobicContact CG1-CD2 4.39Å; I32-F97 HydrophobicContact CG2-CB 4.06Å; I32-F97 HydrophobicContact CG2-CD1 3.67Å; I32-F97 HydrophobicContact CG2-CD2 3.7Å; I32-F97 HydrophobicContact CG2-CE1 3.97Å; I32-F97 HydrophobicContact CG2-CE2 4Å; I32-F97 HydrophobicContact CG2-CG 3.53Å; I32-F97 HydrophobicContact CG2-CZ 4.13Å
33	D	96.1	Very high	79.1	Confident	55 Å²	55	72.5 Å²	72.5	29%	0.294	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	115.4	173.6	-84.1	-26.2	0	0	0	109.7	K49 K105 L106	D33-K49 WeakPolarHBondContact OD1-CE 3.43Å; D33-K49 IonicContact OD1-NZ 2.71Å; D33-K49 WeakPolarHBondContact OD2-CE 3.46Å; D33-K49 IonicContact OD2-NZ 2.73Å; D33-K49 PolarHBondContact OD2-NZ 3.3Å; D33-K105 HydrophobicContact CB-CB 4.17Å; D33-K105 CarbonylContact O-C 3.51Å; D33-K105 VanDerWaalsContact O-CA 3.29Å; D33-K105 WeakPolarHBondContact O-CA 3.37Å; D33-L106 PolarHBondContact O-N 2.89Å
34	V	96.6	Very high	81.2	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	125.3	176.8	-178.7	0	0	0	0	109.4	I32 L36 K49 W50 V52 V93 L106 L108	I32-V34 HydrophobicContact CD1-CG2 3.95Å; I32-V34 HydrophobicContact CG1-CG2 4.11Å; I32-V34 PolarHBondContact O-N 3.35Å; V34-L36 HydrophobicContact CG1-CD2 3.73Å; V34-L36 HydrophobicContact CG1-CG 4.27Å; V34-K49 CarbonylContact O-C 3.52Å; V34-K49 WeakPolarHBondContact O-CA 3.47Å; V34-W50 PolarHBondContact N-O 3.02Å; V34-W50 PolarHBondContact O-N 2.72Å; V34-V52 HydrophobicContact CB-CG2 3.93Å; V34-V52 HydrophobicContact CG2-CB 3.89Å; V34-V52 HydrophobicContact CG2-CG2 3.75Å; V34-V93 HydrophobicContact CG2-CG1 4.04Å; V34-L106 CarbonylContact C-O 3.59Å; V34-L106 WeakPolarHBondContact CA-O 3.49Å; V34-L108 HydrophobicContact CG1-CB 4.5Å; V34-L108 HydrophobicContact CG1-CD1 3.72Å; V34-L108 HydrophobicContact CG1-CG 4.06Å
35	L	96.6	Very high	83.3	Confident	36 Å²	36	69 Å²	69	19%	0.188	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	110.7	173.7	-176.6	67.8	0	0	0	109.5	K48 K49 K105 L106 V107 L108	L35-K48 WeakPolarHBondContact CA-O 3.4Å; L35-K48 HydrophobicContact CD1-CB 3.76Å; L35-K49 HydrophobicContact CD1-CB 4.49Å; L35-K105 HydrophobicContact CD2-CD 4.42Å; L35-L106 PolarHBondContact N-O 3.39Å; L35-V107 HydrophobicContact CB-CG2 4.28Å; L35-V107 HydrophobicContact CD2-CG1 4.39Å; L35-V107 HydrophobicContact CD2-CG2 4.14Å; L35-V107 WeakPolarHBondContact O-CA 3.4Å; L35-L108 PolarHBondContact O-N 2.97Å
36	L	96.9	Very high	85.5	Confident	2 Å²	2	76.6 Å²	76.6	1%	0.01	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	125.9	178.5	-59	178.6	0	0	0	110.5	V34 M45 K48 W50 L61 I65 L108 Y110	V34-L36 HydrophobicContact CG1-CD2 3.73Å; V34-L36 HydrophobicContact CG1-CG 4.27Å; L36-M45 HydrophobicContact CB-SD 4.31Å; L36-M45 HydrophobicContact CD1-CE 4.19Å; L36-M45 HydrophobicContact CD1-SD 3.54Å; L36-M45 VanDerWaalsContact CD1-SD 3.54Å; L36-K48 PolarHBondContact N-O 3.24Å; L36-W50 HydrophobicContact CD1-CG 4.34Å; L36-L61 HydrophobicContact CD2-CD2 4.42Å; L36-I65 HydrophobicContact CD1-CD1 3.85Å; L36-I65 HydrophobicContact CD1-CG1 3.89Å; L36-I65 HydrophobicContact CD2-CD1 3.97Å; L36-L108 WeakPolarHBondContact CA-O 3.42Å; L36-L108 HydrophobicContact CD2-CB 4.03Å; L36-L108 HydrophobicContact CD2-CD1 4.41Å; L36-Y110 HydrophobicContact CB-CD1 4.05Å; L36-Y110 HydrophobicContact CB-CE1 3.91Å
37	K	96.1	Very high	87.4	Confident	92 Å²	92	76.2 Å²	76.2	40%	0.4	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	127	177	-68.7	-176.4	176	-178	0	110.4	V107 L108 H109 Y110	K37-V107 HydrophobicContact CD-CG1 3.89Å; K37-V107 HydrophobicContact CG-CG1 4.37Å; K37-L108 PolarHBondContact N-O 3.21Å; K37-H109 CarbonylContact O-C 3.54Å; K37-H109 VanDerWaalsContact O-CA 3.26Å; K37-H109 WeakPolarHBondContact O-CA 3.41Å; K37-Y110 VanDerWaalsContact O-CD1 3.23Å; K37-Y110 WeakPolarHBondContact O-CD1 3.06Å; K37-Y110 PolarHBondContact O-N 3.01Å
38	A	95.9	Very high	89.2	Confident	30 Å²	30	74.6 Å²	74.6	25%	0.248	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	152.2	172.4	0	0	0	0	0	110.8	T42 I44 Y110	A38-T42 WeakPolarHBondContact CB-O 3.33Å; A38-I44 HydrophobicContact CB-CB 4.44Å; A38-I44 HydrophobicContact CB-CG1 3.83Å; A38-Y110 HydrophobicContact CB-CE1 4.21Å; A38-Y110 HydrophobicContact CB-CE2 3.81Å; A38-Y110 WeakPolarHBondContact CB-OH 3.29Å
39	V	95	Very high	91.2	Very high	27 Å²	27	72.9 Å²	72.9	16%	0.164	37%	0.373	C	S	.	.			trans	-128.4	139.7	176.5	-176.8	0	0	0	0	109.9	T42 H109 Y110 C111 A115 W116	V39-T42 VanDerWaalsContact O-CB 3.28Å; V39-T42 WeakPolarHBondContact O-CB 3.38Å; V39-T42 PolarHBondContact O-N 3.3Å; V39-T42 PolarHBondContact O-OG1 3.48Å; V39-H109 HydrophobicContact CG2-CB 3.67Å; V39-Y110 PolarHBondContact N-O 3.34Å; V39-C111 HydrophobicContact CB-CB 3.98Å; V39-C111 PolarHBondContact O-SG 3.12Å; V39-A115 HydrophobicContact CG1-CB 4.22Å; V39-W116 HydrophobicContact CB-CH2 4.16Å; V39-W116 HydrophobicContact CB-CZ3 4.39Å; V39-W116 HydrophobicContact CG1-CH2 3.53Å; V39-W116 HydrophobicContact CG1-CZ2 4.23Å; V39-W116 HydrophobicContact CG1-CZ3 3.99Å; V39-W116 HydrophobicContact CG2-CH2 3.5Å; V39-W116 VanDerWaalsContact CG2-CH2 3.5Å; V39-W116 HydrophobicContact CG2-CZ3 3.73Å
40	G	89.6	Confident	92.9	Very high	67 Å²	67	69.9 Å²	69.9	69%	0.691	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.1	-139.2	-178.7	0	0	0	0	0	111.9	T42	G40-T42 PolarHBondContact O-N 3.18Å
41	D	87.3	Confident	93.4	Very high	172 Å²	172	67.2 Å²	67.2	92%	0.92	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	15.5	-179.2	-59.4	-51.4	0	0	0	113.6
42	T	90.5	Very high	93.5	Very high	7 Å²	7	62.7 Å²	62.7	4%	0.043	34%	0.34	C	S	.	.	S	Bend	trans	-73.5	134.1	179.4	-52.7	0	0	0	0	110.4	A38 V39 G40 I44 L77 Y110 C111 K112	A38-T42 WeakPolarHBondContact CB-O 3.33Å; V39-T42 VanDerWaalsContact O-CB 3.28Å; V39-T42 WeakPolarHBondContact O-CB 3.38Å; V39-T42 PolarHBondContact O-N 3.3Å; V39-T42 PolarHBondContact O-OG1 3.48Å; G40-T42 PolarHBondContact O-N 3.18Å; T42-I44 PolarHBondContact O-N 3.11Å; T42-L77 HydrophobicContact CG2-CD1 4.33Å; T42-Y110 HydrophobicContact CG2-CD2 3.69Å; T42-Y110 HydrophobicContact CG2-CE2 3.62Å; T42-C111 WeakPolarHBondContact OG1-CA 3.43Å; T42-K112 HydrophobicContact CG2-CG 4.03Å; T42-K112 PolarHBondContact OG1-N 3.48Å; T42-K112 VanDerWaalsContact OG1-N 3.07Å
43	P	91.2	Very high	93.5	Very high	53 Å²	53	65.8 Å²	65.8	34%	0.344	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-55.8	134.2	180	-27.3	34.8	0	0	0	113.7	L69 L71 Y110	P43-L69 HydrophobicContact CB-CD1 4.29Å; P43-L69 HydrophobicContact CB-CD2 4.13Å; P43-L69 WeakPolarHBondContact O-CD1 3.49Å; P43-L71 HydrophobicContact CG-CD2 4.3Å; P43-Y110 WeakPolarHBondContact O-CE2 3.39Å; P43-Y110 PolarHBondContact O-OH 3.38Å
44	I	92.6	Very high	93.5	Very high	120 Å²	120	66.6 Å²	66.6	62%	0.615	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-83.6	126.3	-177.9	-55.4	174.5	0	0	0	110.1	A38 T42 Y110	A38-I44 HydrophobicContact CB-CB 4.44Å; A38-I44 HydrophobicContact CB-CG1 3.83Å; T42-I44 PolarHBondContact O-N 3.11Å; I44-Y110 WeakPolarHBondContact CA-OH 3.43Å
45	M	90.3	Very high	93.4	Very high	2 Å²	2	69.1 Å²	69.1	1%	0.01	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-66.8	133.5	171.8	-66.8	178.5	86	0	0	110.5	L36 T47 W50 F64 I65 F68 L69 Y110	L36-M45 HydrophobicContact CB-SD 4.31Å; L36-M45 HydrophobicContact CD1-CE 4.19Å; L36-M45 HydrophobicContact CD1-SD 3.54Å; L36-M45 VanDerWaalsContact CD1-SD 3.54Å; M45-T47 VanDerWaalsContact C-N 3.31Å; M45-T47 WeakPolarHBondContact CB-O 2.97Å; M45-T47 PolarHBondContact O-N 3.38Å; M45-W50 HydrophobicContact CE-CZ2 3.53Å; M45-F64 HydrophobicContact CE-CE1 4.07Å; M45-I65 HydrophobicContact SD-CG1 4.18Å; M45-I65 HydrophobicContact SD-CG2 4.06Å; M45-F68 HydrophobicContact CE-CB 4.18Å; M45-F68 HydrophobicContact CE-CD1 3.43Å; M45-F68 VanDerWaalsContact CE-CD1 3.43Å; M45-F68 HydrophobicContact CE-CD2 4.42Å; M45-F68 HydrophobicContact CE-CE1 3.86Å; M45-F68 HydrophobicContact CE-CG 3.75Å; M45-F68 HydrophobicContact CG-CD1 4.18Å; M45-F68 HydrophobicContact CG-CE1 4.45Å; M45-L69 HydrophobicContact CG-CD1 4.46Å; M45-L69 HydrophobicContact CG-CD2 3.73Å; M45-L69 HydrophobicContact CG-CG 4.21Å; M45-Y110 HydrophobicContact CG-CE1 4.46Å; M45-Y110 WeakPolarHBondContact CG-OH 3.46Å; M45-Y110 PolarHBondContact N-OH 3.25Å; M45-Y110 HydrophobicContact SD-CE1 4.35Å
46	K	89	Confident	93.4	Very high	206 Å²	206	70.9 Å²	70.9	90%	0.896	39%	0.386	S	S	*	.	S	Bend	trans	-59.1	-44.5	175.1	-67.3	-175.3	179.8	-178.2	0	111.4
47	T	91	Very high	93.5	Very high	73 Å²	73	72.8 Å²	72.8	45%	0.448	40%	0.398	S	S	.	.			trans	-95.5	116.8	173.7	-52.3	0	0	0	0	108.9	M45 K49 W50	M45-T47 VanDerWaalsContact C-N 3.31Å; M45-T47 WeakPolarHBondContact CB-O 2.97Å; M45-T47 PolarHBondContact O-N 3.38Å; T47-K49 WeakPolarHBondContact CG2-O 3.4Å; T47-W50 HydrophobicContact CG2-CZ2 4.16Å; T47-W50 PolarHBondContact O-NE1 3.21Å
48	K	92.6	Very high	93.5	Very high	113 Å²	113	68.9 Å²	68.9	49%	0.491	38%	0.381	S	S	.	.			trans	-93.8	-33.8	-178.4	-60.8	-178.2	-177.3	177.3	0	113	L35 L36	L35-K48 WeakPolarHBondContact CA-O 3.4Å; L35-K48 HydrophobicContact CD1-CB 3.76Å; L36-K48 PolarHBondContact N-O 3.24Å
49	K	95.1	Very high	93.5	Very high	124 Å²	124	71.7 Å²	71.7	54%	0.539	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	126.7	-179.7	-172.4	-177.8	178.3	-175.5	0	109.8	D33 V34 L35 T47	D33-K49 WeakPolarHBondContact OD1-CE 3.43Å; D33-K49 IonicContact OD1-NZ 2.71Å; D33-K49 WeakPolarHBondContact OD2-CE 3.46Å; D33-K49 IonicContact OD2-NZ 2.73Å; D33-K49 PolarHBondContact OD2-NZ 3.3Å; V34-K49 CarbonylContact O-C 3.52Å; V34-K49 WeakPolarHBondContact O-CA 3.47Å; L35-K49 HydrophobicContact CD1-CB 4.49Å; T47-K49 WeakPolarHBondContact CG2-O 3.4Å
50	W	95.4	Very high	93.6	Very high	59 Å²	59	72.4 Å²	72.4	22%	0.223	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	136	-178.5	-68	86.6	0	0	0	110.3	V34 L36 M45 T47 V52 F64 F68	V34-W50 PolarHBondContact N-O 3.02Å; V34-W50 PolarHBondContact O-N 2.72Å; L36-W50 HydrophobicContact CD1-CG 4.34Å; M45-W50 HydrophobicContact CE-CZ2 3.53Å; T47-W50 HydrophobicContact CG2-CZ2 4.16Å; T47-W50 PolarHBondContact O-NE1 3.21Å; W50-V52 HydrophobicContact CB-CG2 3.96Å; W50-F64 HydrophobicContact CD2-CE1 4.34Å; W50-F64 HydrophobicContact CD2-CZ 4.47Å; W50-F64 HydrophobicContact CE3-CE1 4.32Å; W50-F64 HydrophobicContact CE3-CZ 4.05Å; W50-F64 HydrophobicContact CH2-CE1 4.4Å; W50-F64 AromaticContact CH2-CZ 3.78Å; W50-F64 HydrophobicContact CH2-CZ 3.78Å; W50-F64 HydrophobicContact CZ2-CE1 4.42Å; W50-F64 HydrophobicContact CZ2-CZ 4.22Å; W50-F64 HydrophobicContact CZ3-CE1 4.35Å; W50-F64 AromaticContact CZ3-CZ 3.69Å; W50-F64 HydrophobicContact CZ3-CZ 3.69Å; W50-F68 HydrophobicContact CH2-CD2 4.33Å; W50-F68 AromaticContact CH2-CE2 3.83Å; W50-F68 HydrophobicContact CH2-CE2 3.83Å; W50-F68 HydrophobicContact CH2-CZ 4.21Å; W50-F68 HydrophobicContact CZ2-CE2 4.12Å; W50-F68 HydrophobicContact CZ2-CZ 4.11Å
51	A	95.4	Very high	93.9	Very high	66 Å²	66	69.3 Å²	69.3	55%	0.545	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	113.8	165.6	0	0	0	0	0	108.3	K31 I32	K31-A51 HydrophobicContact CB-CB 4.49Å; K31-A51 HydrophobicContact CD-CB 4.38Å; I32-A51 WeakPolarHBondContact O-CA 3.42Å
52	V	95.4	Very high	94.3	Very high	7 Å²	7	61.8 Å²	61.8	4%	0.042	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	137.4	-174.7	-176.5	0	0	0	0	109.7	K31 I32 V34 W50 R56	K31-V52 CarbonylContact C-O 3.58Å; K31-V52 VanDerWaalsContact CA-O 3.26Å; K31-V52 WeakPolarHBondContact CA-O 3.21Å; I32-V52 HydrophobicContact CG1-CB 4.45Å; I32-V52 WeakPolarHBondContact CG1-O 3.18Å; I32-V52 PolarHBondContact N-O 3.17Å; I32-V52 PolarHBondContact O-N 3.4Å; V34-V52 HydrophobicContact CB-CG2 3.93Å; V34-V52 HydrophobicContact CG2-CB 3.89Å; V34-V52 HydrophobicContact CG2-CG2 3.75Å; W50-V52 HydrophobicContact CB-CG2 3.96Å; V52-R56 HydrophobicContact CG1-CB 4.06Å; V52-R56 HydrophobicContact CG1-CG 4.45Å
53	D	95.8	Very high	94.4	Very high	71 Å²	71	66.1 Å²	66.1	38%	0.38	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	136	174.8	-57.6	-62.3	0	0	0	110.9	K31 G55 R56	K31-D53 WeakPolarHBondContact CE-OD1 3.41Å; K31-D53 WeakPolarHBondContact CG-OD1 3.32Å; D53-G55 VanDerWaalsContact C-N 3.29Å; D53-G55 PolarHBondContact O-N 2.85Å; D53-R56 VanDerWaalsContact O-CB 3.31Å; D53-R56 WeakPolarHBondContact O-CB 3.46Å; D53-R56 PolarHBondContact O-N 3.07Å
54	R	95.5	Very high	94.6	Very high	71 Å²	71	66.5 Å²	66.5	27%	0.268	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-37.9	-176.5	-72.5	173.2	71.3	95.6	3.9	113.2	K29 K30 I32 R56 G94 D98	K29-R54 WeakPolarHBondContact O-CD 3.31Å; K30-R54 VanDerWaalsContact O-CG 3.28Å; K30-R54 WeakPolarHBondContact O-CG 3.18Å; K30-R54 PolarHBondContact O-N 3.27Å; I32-R54 HydrophobicContact CB-CG 4.49Å; I32-R54 HydrophobicContact CG1-CG 4.28Å; I32-R54 HydrophobicContact CG2-CG 3.59Å; R54-R56 PolarHBondContact O-N 3.26Å; R54-G94 WeakPolarHBondContact O-CA 3.38Å; R54-G94 PolarHBondContact O-N 3.21Å; R54-D98 IonicContact CZ-OD1 2.69Å; R54-D98 IonicContact CZ-OD2 3.24Å; R54-D98 IonicContact NH1-OD1 3.6Å; R54-D98 PolarHBondContact NH1-OD1 2.88Å; R54-D98 IonicContact NH2-OD1 2.85Å; R54-D98 PolarHBondContact NH2-OD1 2.99Å; R54-D98 IonicContact NH2-OD2 3.43Å; R54-D98 PolarHBondContact NH2-OD2 3.44Å
55	G	95.3	Very high	94.7	Very high	53 Å²	53	60.8 Å²	60.8	55%	0.546	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	2.5	179	0	0	0	0	0	114.9	D53	D53-G55 VanDerWaalsContact C-N 3.29Å; D53-G55 PolarHBondContact O-N 2.85Å
56	R	96.3	Very high	94.8	Very high	73 Å²	73	61.6 Å²	61.6	28%	0.275	32%	0.318	S	S	.	.			trans	-71.9	140	173.6	-175.3	171	-73.6	-165.5	-3.3	109.4	V52 D53 R54 E92 V93	V52-R56 HydrophobicContact CG1-CB 4.06Å; V52-R56 HydrophobicContact CG1-CG 4.45Å; D53-R56 VanDerWaalsContact O-CB 3.31Å; D53-R56 WeakPolarHBondContact O-CB 3.46Å; D53-R56 PolarHBondContact O-N 3.07Å; R54-R56 PolarHBondContact O-N 3.26Å; R56-E92 CarbonylContact O-C 3.59Å; R56-E92 WeakPolarHBondContact O-CA 3.38Å; R56-V93 WeakPolarHBondContact O-CG2 3.22Å; R56-V93 PolarHBondContact O-N 3.49Å
57	T	97.8	Very high	94.9	Very high	43 Å²	43	61.5 Å²	61.5	26%	0.264	31%	0.312	S	S	.	.	B	Isolated β-bridge	trans	-86.5	159.7	175	65.5	0	0	0	0	112.7	Q59 S60 L61 P89 Q91	T57-Q59 VanDerWaalsContact C-N 3.27Å; T57-Q59 PolarHBondContact O-N 2.88Å; T57-S60 PolarHBondContact O-N 3.07Å; T57-S60 PolarHBondContact OG1-N 2.83Å; T57-L61 PolarHBondContact O-N 2.87Å; T57-P89 WeakPolarHBondContact CB-O 3.46Å; T57-Q91 CarbonylContact C-O 3.53Å; T57-Q91 VanDerWaalsContact CA-O 3.3Å; T57-Q91 WeakPolarHBondContact CA-O 3.42Å
58	V	97.2	Very high	95	Very high	9 Å²	9	62.4 Å²	62.4	6%	0.055	31%	0.31	C	S	.	.	H	α-helix	trans	-56.4	-41.8	173.7	173.1	0	0	0	0	111.2	S60 L61 A62 I79 P87 P89 Q91 L96	V58-S60 PolarHBondContact O-N 2.86Å; V58-L61 WeakPolarHBondContact O-CB 3.26Å; V58-L61 PolarHBondContact O-N 2.69Å; V58-A62 WeakPolarHBondContact O-CB 3.46Å; V58-A62 PolarHBondContact O-N 2.88Å; V58-I79 HydrophobicContact CG1-CB 4.09Å; V58-I79 HydrophobicContact CG1-CD1 4.1Å; V58-I79 HydrophobicContact CG1-CG2 4.37Å; V58-P87 HydrophobicContact CG1-CG 4.19Å; V58-P87 HydrophobicContact CG2-CB 4.22Å; V58-P87 HydrophobicContact CG2-CG 3.77Å; V58-P89 PolarHBondContact N-O 3.03Å; V58-Q91 HydrophobicContact CG2-CB 4.22Å; V58-Q91 WeakPolarHBondContact CG2-O 3.42Å; V58-Q91 PolarHBondContact N-O 2.8Å; V58-L96 HydrophobicContact CG2-CD1 3.6Å
59	Q	96.3	Very high	94.9	Very high	89 Å²	89	58.4 Å²	58.4	42%	0.416	29%	0.294	S	S	.	.	H	α-helix	trans	-61.4	-46	178	178.9	164.9	-35.6	0	0	112.3	T57 L61 A62 Q63 P89	T57-Q59 VanDerWaalsContact C-N 3.27Å; T57-Q59 PolarHBondContact O-N 2.88Å; Q59-L61 VanDerWaalsContact C-N 3.27Å; Q59-L61 PolarHBondContact O-N 3.18Å; Q59-A62 PolarHBondContact O-N 2.82Å; Q59-Q63 WeakPolarHBondContact O-CG 3.43Å; Q59-Q63 PolarHBondContact O-N 3.28Å; Q59-P89 HydrophobicContact CB-CB 3.86Å; Q59-P89 VanDerWaalsContact CB-O 3.31Å; Q59-P89 WeakPolarHBondContact CB-O 3.24Å; Q59-P89 PolarHBondContact N-O 2.96Å
60	S	95.9	Very high	94.8	Very high	43 Å²	43	61.6 Å²	61.6	30%	0.301	31%	0.307	S	S	.	.	H	α-helix	trans	-62.1	-38.8	176.7	-179.7	0	0	0	0	111.3	T57 V58 F64	T57-S60 PolarHBondContact O-N 3.07Å; T57-S60 PolarHBondContact OG1-N 2.83Å; V58-S60 PolarHBondContact O-N 2.86Å; S60-F64 WeakPolarHBondContact O-CB 3.48Å; S60-F64 PolarHBondContact O-N 3.39Å
61	L	96.1	Very high	94.5	Very high	1 Å²	1	60 Å²	60	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-65.5	-43.6	175.2	-176.4	61.4	0	0	0	112.1	L36 T57 V58 Q59 Q63 F64 I65 I79 V93 L108	L36-L61 HydrophobicContact CD2-CD2 4.42Å; T57-L61 PolarHBondContact O-N 2.87Å; V58-L61 WeakPolarHBondContact O-CB 3.26Å; V58-L61 PolarHBondContact O-N 2.69Å; Q59-L61 VanDerWaalsContact C-N 3.27Å; Q59-L61 PolarHBondContact O-N 3.18Å; L61-Q63 PolarHBondContact O-N 2.89Å; L61-F64 HydrophobicContact CD1-CD1 4.26Å; L61-F64 WeakPolarHBondContact O-CB 3.42Å; L61-F64 PolarHBondContact O-N 2.81Å; L61-I65 HydrophobicContact CD1-CD1 4.44Å; L61-I65 HydrophobicContact CG-CD1 4.17Å; L61-I65 WeakPolarHBondContact O-CG1 3.3Å; L61-I65 PolarHBondContact O-N 3.3Å; L61-I79 HydrophobicContact CB-CD1 4.24Å; L61-I79 HydrophobicContact CD2-CD1 4.15Å; L61-I79 HydrophobicContact CG-CD1 4.05Å; L61-V93 HydrophobicContact CD2-CG2 4.11Å; L61-L108 HydrophobicContact CD2-CD1 3.48Å; L61-L108 VanDerWaalsContact CD2-CD1 3.48Å
62	A	95	Very high	94.1	Very high	14 Å²	14	62.3 Å²	62.3	12%	0.116	31%	0.306	C	S	.	.	H	α-helix	trans	-62.4	-42.8	177.1	0	0	0	0	0	112	V58 Q59 I65 S66 L77 I79	V58-A62 WeakPolarHBondContact O-CB 3.46Å; V58-A62 PolarHBondContact O-N 2.88Å; Q59-A62 PolarHBondContact O-N 2.82Å; A62-I65 PolarHBondContact O-N 2.9Å; A62-S66 WeakPolarHBondContact O-CB 3.45Å; A62-S66 PolarHBondContact O-N 3.06Å; A62-S66 PolarHBondContact O-OG 2.89Å; A62-L77 HydrophobicContact CB-CD2 4.49Å; A62-I79 HydrophobicContact CB-CD1 3.8Å; A62-I79 HydrophobicContact CB-CG1 4.31Å
63	Q	94.1	Very high	93.3	Very high	98 Å²	98	67.1 Å²	67.1	46%	0.458	35%	0.347	S	S	.	.	H	α-helix	trans	-63.2	-41.1	174.3	-72.4	179.8	-12.9	0	0	112	Q59 L61 S66 R67	Q59-Q63 WeakPolarHBondContact O-CG 3.43Å; Q59-Q63 PolarHBondContact O-N 3.28Å; L61-Q63 PolarHBondContact O-N 2.89Å; Q63-S66 PolarHBondContact O-N 3.09Å; Q63-R67 WeakPolarHBondContact O-CG 3.17Å; Q63-R67 PolarHBondContact O-N 3Å
64	F	94.3	Very high	92.6	Very high	61 Å²	61	71.4 Å²	71.4	27%	0.268	37%	0.37	S	S	.	.	H	α-helix	trans	-59	-49	175.2	166.5	-100.7	0	0	0	111.6	M45 W50 S60 L61 S66 R67 F68	M45-F64 HydrophobicContact CE-CE1 4.07Å; W50-F64 HydrophobicContact CD2-CE1 4.34Å; W50-F64 HydrophobicContact CD2-CZ 4.47Å; W50-F64 HydrophobicContact CE3-CE1 4.32Å; W50-F64 HydrophobicContact CE3-CZ 4.05Å; W50-F64 HydrophobicContact CH2-CE1 4.4Å; W50-F64 AromaticContact CH2-CZ 3.78Å; W50-F64 HydrophobicContact CH2-CZ 3.78Å; W50-F64 HydrophobicContact CZ2-CE1 4.42Å; W50-F64 HydrophobicContact CZ2-CZ 4.22Å; W50-F64 HydrophobicContact CZ3-CE1 4.35Å; W50-F64 AromaticContact CZ3-CZ 3.69Å; W50-F64 HydrophobicContact CZ3-CZ 3.69Å; S60-F64 WeakPolarHBondContact O-CB 3.48Å; S60-F64 PolarHBondContact O-N 3.39Å; L61-F64 HydrophobicContact CD1-CD1 4.26Å; L61-F64 WeakPolarHBondContact O-CB 3.42Å; L61-F64 PolarHBondContact O-N 2.81Å; F64-S66 VanDerWaalsContact C-N 3.35Å; F64-S66 PolarHBondContact O-N 2.93Å; F64-R67 PolarHBondContact O-N 3.44Å; F64-F68 HydrophobicContact CZ-CD2 4.3Å; F64-F68 VanDerWaalsContact O-CB 3.3Å; F64-F68 WeakPolarHBondContact O-CB 3.47Å; F64-F68 PolarHBondContact O-N 3.4Å
65	I	94	Very high	92.1	Very high	0 Å²	0	71.5 Å²	71.5	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-62.2	-45.1	179.2	-63.2	164.9	0	0	0	110.3	L36 M45 L61 A62 R67 F68 L69 L77 I79 Y110	L36-I65 HydrophobicContact CD1-CD1 3.85Å; L36-I65 HydrophobicContact CD1-CG1 3.89Å; L36-I65 HydrophobicContact CD2-CD1 3.97Å; M45-I65 HydrophobicContact SD-CG1 4.18Å; M45-I65 HydrophobicContact SD-CG2 4.06Å; L61-I65 HydrophobicContact CD1-CD1 4.44Å; L61-I65 HydrophobicContact CG-CD1 4.17Å; L61-I65 WeakPolarHBondContact O-CG1 3.3Å; L61-I65 PolarHBondContact O-N 3.3Å; A62-I65 PolarHBondContact O-N 2.9Å; I65-R67 PolarHBondContact O-N 2.93Å; I65-F68 PolarHBondContact O-N 3.29Å; I65-L69 HydrophobicContact CG2-CD1 3.69Å; I65-L69 HydrophobicContact CG2-CG 4.21Å; I65-L69 WeakPolarHBondContact O-CB 3.34Å; I65-L69 WeakPolarHBondContact O-CG 3.12Å; I65-L69 PolarHBondContact O-N 3.26Å; I65-L77 HydrophobicContact CB-CD2 3.55Å; I65-L77 HydrophobicContact CD1-CD2 4.24Å; I65-L77 HydrophobicContact CG2-CD2 3.47Å; I65-L77 VanDerWaalsContact CG2-CD2 3.47Å; I65-I79 HydrophobicContact CD1-CD1 4.26Å; I65-Y110 HydrophobicContact CD1-CD1 4.46Å; I65-Y110 HydrophobicContact CD1-CG 4.44Å; I65-Y110 HydrophobicContact CG2-CD2 4Å; I65-Y110 HydrophobicContact CG2-CE2 4.16Å; I65-Y110 HydrophobicContact CG2-CG 4.26Å
66	S	93.3	Very high	91.7	Very high	19 Å²	19	75.1 Å²	75.1	13%	0.133	38%	0.376	C	S	.	.	H	α-helix	trans	-59.5	-45.7	179.8	-55.7	0	0	0	0	111.7	A62 Q63 F64 L69 K70 L71 L77	A62-S66 WeakPolarHBondContact O-CB 3.45Å; A62-S66 PolarHBondContact O-N 3.06Å; A62-S66 PolarHBondContact O-OG 2.89Å; Q63-S66 PolarHBondContact O-N 3.09Å; F64-S66 VanDerWaalsContact C-N 3.35Å; F64-S66 PolarHBondContact O-N 2.93Å; S66-L69 PolarHBondContact O-N 2.79Å; S66-K70 PolarHBondContact O-N 2.82Å; S66-K70 VanDerWaalsContact O-N 3.09Å; S66-L71 PolarHBondContact O-N 2.86Å; S66-L77 WeakPolarHBondContact OG-CB 3.37Å
67	R	91.9	Very high	91.6	Very high	204 Å²	204	72.5 Å²	72.5	77%	0.77	37%	0.367	S	S	*	.	H	α-helix	trans	-65.8	-41	175.4	-71.9	-176.1	-179.1	177.6	2.8	112.5	Q63 F64 I65 L69 K70	Q63-R67 WeakPolarHBondContact O-CG 3.17Å; Q63-R67 PolarHBondContact O-N 3Å; F64-R67 PolarHBondContact O-N 3.44Å; I65-R67 PolarHBondContact O-N 2.93Å; R67-L69 VanDerWaalsContact C-N 3.31Å; R67-L69 PolarHBondContact O-N 3.06Å; R67-K70 PolarHBondContact O-N 2.83Å; R67-K70 VanDerWaalsContact O-N 3.12Å
68	F	91.6	Very high	91.5	Very high	93 Å²	93	72.7 Å²	72.7	41%	0.408	36%	0.364	S	S	.	.	H	α-helix	trans	-63.7	-39.4	179.6	-171	-88.2	0	0	0	111.8	M45 W50 F64 I65 K70	M45-F68 HydrophobicContact CE-CB 4.18Å; M45-F68 HydrophobicContact CE-CD1 3.43Å; M45-F68 VanDerWaalsContact CE-CD1 3.43Å; M45-F68 HydrophobicContact CE-CD2 4.42Å; M45-F68 HydrophobicContact CE-CE1 3.86Å; M45-F68 HydrophobicContact CE-CG 3.75Å; M45-F68 HydrophobicContact CG-CD1 4.18Å; M45-F68 HydrophobicContact CG-CE1 4.45Å; W50-F68 HydrophobicContact CH2-CD2 4.33Å; W50-F68 AromaticContact CH2-CE2 3.83Å; W50-F68 HydrophobicContact CH2-CE2 3.83Å; W50-F68 HydrophobicContact CH2-CZ 4.21Å; W50-F68 HydrophobicContact CZ2-CE2 4.12Å; W50-F68 HydrophobicContact CZ2-CZ 4.11Å; F64-F68 HydrophobicContact CZ-CD2 4.3Å; F64-F68 VanDerWaalsContact O-CB 3.3Å; F64-F68 WeakPolarHBondContact O-CB 3.47Å; F64-F68 PolarHBondContact O-N 3.4Å; I65-F68 PolarHBondContact O-N 3.29Å; F68-K70 VanDerWaalsContact C-N 3.26Å; F68-K70 PolarHBondContact O-N 3.17Å
69	L	91.6	Very high	91.5	Very high	29 Å²	29	72.7 Å²	72.7	15%	0.152	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-1.7	176.6	-65	179.5	0	0	0	113.4	P43 M45 I65 S66 R67 L71 Y110	P43-L69 HydrophobicContact CB-CD1 4.29Å; P43-L69 HydrophobicContact CB-CD2 4.13Å; P43-L69 WeakPolarHBondContact O-CD1 3.49Å; M45-L69 HydrophobicContact CG-CD1 4.46Å; M45-L69 HydrophobicContact CG-CD2 3.73Å; M45-L69 HydrophobicContact CG-CG 4.21Å; I65-L69 HydrophobicContact CG2-CD1 3.69Å; I65-L69 HydrophobicContact CG2-CG 4.21Å; I65-L69 WeakPolarHBondContact O-CB 3.34Å; I65-L69 WeakPolarHBondContact O-CG 3.12Å; I65-L69 PolarHBondContact O-N 3.26Å; S66-L69 PolarHBondContact O-N 2.79Å; R67-L69 VanDerWaalsContact C-N 3.31Å; R67-L69 PolarHBondContact O-N 3.06Å; L69-L71 HydrophobicContact CB-CD2 3.98Å; L69-L71 HydrophobicContact CB-CG 3.88Å; L69-L71 PolarHBondContact O-N 3.4Å; L69-Y110 HydrophobicContact CD1-CD2 4.45Å; L69-Y110 HydrophobicContact CD1-CE2 3.71Å
70	K	91.8	Very high	91.5	Very high	190 Å²	190	68.5 Å²	68.5	83%	0.826	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	40.1	-176	-54.5	-179.9	179.9	-179.1	0	112.6	S66 R67 F68	S66-K70 PolarHBondContact O-N 2.82Å; S66-K70 VanDerWaalsContact O-N 3.09Å; R67-K70 PolarHBondContact O-N 2.83Å; R67-K70 VanDerWaalsContact O-N 3.12Å; F68-K70 VanDerWaalsContact C-N 3.26Å; F68-K70 PolarHBondContact O-N 3.17Å
71	L	89.1	Confident	91.5	Very high	25 Å²	25	66.5 Å²	66.5	13%	0.131	33%	0.33	C	S	.	.			trans	-70.3	154.6	172.5	-56.3	-170.1	0	0	0	110.3	P43 S66 L69 E75 L77 K112	P43-L71 HydrophobicContact CG-CD2 4.3Å; S66-L71 PolarHBondContact O-N 2.86Å; L69-L71 HydrophobicContact CB-CD2 3.98Å; L69-L71 HydrophobicContact CB-CG 3.88Å; L69-L71 PolarHBondContact O-N 3.4Å; L71-E75 WeakPolarHBondContact CB-OE2 3.4Å; L71-L77 HydrophobicContact CD1-CD1 3.98Å; L71-K112 HydrophobicContact CD1-CG 4.44Å; L71-K112 VanDerWaalsContact CD2-CE 3.44Å
72	D	87.7	Confident	91.4	Very high	116 Å²	116	71.2 Å²	71.2	62%	0.62	35%	0.352	S	S	*	.			trans	-63.7	145.7	175	-87.4	-70.3	0	0	0	111.3	N74 E75	D72-N74 PolarHBondContact O-N 3.38Å; D72-N74 VanDerWaalsContact O-N 3.11Å; D72-E75 HydrophobicContact CB-CG 4.12Å; D72-E75 WeakPolarHBondContact O-CB 3.39Å; D72-E75 PolarHBondContact O-N 3.3Å
73	A	78	Confident	91.4	Very high	108 Å²	108	75.7 Å²	75.7	89%	0.893	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-19.2	-178.6	0	0	0	0	0	113.7
74	N	82.6	Confident	91.4	Very high	161 Å²	161	73.6 Å²	73.6	86%	0.861	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-9	175.9	-67.6	-51	0	0	0	113	D72	D72-N74 PolarHBondContact O-N 3.38Å; D72-N74 VanDerWaalsContact O-N 3.11Å
75	E	84.9	Confident	91.4	Very high	72 Å²	72	74 Å²	74	34%	0.336	37%	0.369	S	S	.	.			trans	-79.8	125.7	175.8	-74.9	-171.7	156.3	0	0	110.2	L71 D72 K112	L71-E75 WeakPolarHBondContact CB-OE2 3.4Å; D72-E75 HydrophobicContact CB-CG 4.12Å; D72-E75 WeakPolarHBondContact O-CB 3.39Å; D72-E75 PolarHBondContact O-N 3.3Å; E75-K112 IonicContact OE1-NZ 3.91Å; E75-K112 PolarHBondContact OE1-NZ 3.46Å; E75-K112 WeakPolarHBondContact OE2-CE 3.4Å; E75-K112 IonicContact OE2-NZ 2.72Å; E75-K112 PolarHBondContact OE2-NZ 3.46Å
76	Q	87.3	Confident	91.5	Very high	130 Å²	130	76.8 Å²	76.8	61%	0.607	39%	0.391	S	S	*	.			trans	-83.1	135.9	172.8	-173.1	165.7	-30.9	0	0	110	F78	Q76-F78 HydrophobicContact CB-CE2 4.3Å; Q76-F78 HydrophobicContact CB-CZ 4.41Å; Q76-F78 HydrophobicContact CG-CE1 4.3Å; Q76-F78 HydrophobicContact CG-CE2 4.07Å; Q76-F78 HydrophobicContact CG-CZ 3.9Å
77	L	93.9	Very high	91.7	Very high	17 Å²	17	76.7 Å²	76.7	9%	0.089	39%	0.39	C	S	.	.			trans	-112.3	122.4	174.4	-166	80.3	0	0	0	110	T42 A62 I65 S66 L71 Y110	T42-L77 HydrophobicContact CG2-CD1 4.33Å; A62-L77 HydrophobicContact CB-CD2 4.49Å; I65-L77 HydrophobicContact CB-CD2 3.55Å; I65-L77 HydrophobicContact CD1-CD2 4.24Å; I65-L77 HydrophobicContact CG2-CD2 3.47Å; I65-L77 VanDerWaalsContact CG2-CD2 3.47Å; S66-L77 WeakPolarHBondContact OG-CB 3.37Å; L71-L77 HydrophobicContact CD1-CD1 3.98Å; L77-Y110 HydrophobicContact CD1-CD2 4.23Å
78	F	95	Very high	91.9	Very high	48 Å²	48	69.9 Å²	69.9	21%	0.211	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	141.8	177.5	-58.7	-89.3	0	0	0	110	Q76 Y80 Y110 C111 K112	Q76-F78 HydrophobicContact CB-CE2 4.3Å; Q76-F78 HydrophobicContact CB-CZ 4.41Å; Q76-F78 HydrophobicContact CG-CE1 4.3Å; Q76-F78 HydrophobicContact CG-CE2 4.07Å; Q76-F78 HydrophobicContact CG-CZ 3.9Å; F78-Y80 HydrophobicContact CB-CD2 4.37Å; F78-Y80 HydrophobicContact CB-CE2 3.63Å; F78-Y110 CarbonylContact O-C 3.59Å; F78-Y110 VanDerWaalsContact O-CA 3.22Å; F78-Y110 WeakPolarHBondContact O-CA 3.45Å; F78-C111 PolarHBondContact N-O 2.91Å; F78-C111 PolarHBondContact O-N 3.25Å; F78-K112 WeakPolarHBondContact CE2-O 3.19Å
79	I	96.5	Very high	92.1	Very high	8 Å²	8	68.3 Å²	68.3	4%	0.041	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	138	174.7	-67.9	-179.1	0	0	0	108.3	V58 L61 A62 I65 A86 P87 L108 H109	V58-I79 HydrophobicContact CG1-CB 4.09Å; V58-I79 HydrophobicContact CG1-CD1 4.1Å; V58-I79 HydrophobicContact CG1-CG2 4.37Å; L61-I79 HydrophobicContact CB-CD1 4.24Å; L61-I79 HydrophobicContact CD2-CD1 4.15Å; L61-I79 HydrophobicContact CG-CD1 4.05Å; A62-I79 HydrophobicContact CB-CD1 3.8Å; A62-I79 HydrophobicContact CB-CG1 4.31Å; I65-I79 HydrophobicContact CD1-CD1 4.26Å; I79-A86 WeakPolarHBondContact O-CA 3.26Å; I79-A86 WeakPolarHBondContact O-CB 3.47Å; I79-P87 WeakPolarHBondContact O-CD 3.23Å; I79-L108 HydrophobicContact CG2-CB 4.15Å; I79-L108 HydrophobicContact CG2-CD1 4.13Å; I79-L108 HydrophobicContact CG2-CD2 4.14Å; I79-L108 HydrophobicContact CG2-CG 4.37Å; I79-H109 CarbonylContact C-O 3.53Å; I79-H109 WeakPolarHBondContact CA-O 3.3Å
80	Y	97.2	Very high	92.3	Very high	2 Å²	2	72.6 Å²	72.6	1%	0.008	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	139.8	-178	-67	-84	0	0	0	112.1	F78 F85 A86 L108 H109 Q114 A115 W116	F78-Y80 HydrophobicContact CB-CD2 4.37Å; F78-Y80 HydrophobicContact CB-CE2 3.63Å; Y80-F85 WeakPolarHBondContact CA-O 3.31Å; Y80-A86 HydrophobicContact CD1-CB 4.03Å; Y80-A86 HydrophobicContact CE1-CB 3.82Å; Y80-L108 WeakPolarHBondContact O-CA 3.42Å; Y80-H109 PolarHBondContact N-O 2.95Å; Y80-H109 PolarHBondContact O-N 3.4Å; Y80-Q114 WeakPolarHBondContact OH-CA 3.33Å; Y80-Q114 VanDerWaalsContact OH-CG 3.24Å; Y80-Q114 WeakPolarHBondContact OH-CG 3.46Å; Y80-A115 HydrophobicContact CE2-CB 4.03Å; Y80-A115 PolarHBondContact OH-N 3.02Å; Y80-W116 HydrophobicContact CD1-CB 4.04Å; Y80-W116 AromaticContact CD1-CE3 3.88Å; Y80-W116 HydrophobicContact CD1-CE3 3.88Å; Y80-W116 AromaticContact CD2-CE3 3.59Å; Y80-W116 HydrophobicContact CD2-CE3 3.59Å; Y80-W116 AromaticContact CD2-CZ3 3.86Å; Y80-W116 HydrophobicContact CD2-CZ3 3.86Å; Y80-W116 HydrophobicContact CE1-CB 3.91Å; Y80-W116 HydrophobicContact CE1-CE3 4.3Å; Y80-W116 WeakPolarHBondContact CE1-O 3.48Å; Y80-W116 HydrophobicContact CE2-CE3 4.01Å; Y80-W116 HydrophobicContact CE2-CZ3 4.5Å; Y80-W116 AromaticContact CG-CE3 3.5Å; Y80-W116 HydrophobicContact CG-CE3 3.5Å; Y80-W116 VanDerWaalsContact CG-CE3 3.5Å; Y80-W116 HydrophobicContact CG-CZ3 4.01Å; Y80-W116 PolarHBondContact OH-N 3.11Å; Y80-W116 PolarHBondContact OH-O 2.86Å
81	V	96.3	Very high	92.6	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	135.1	172.1	-176.8	0	0	0	0	108.4	Q83 S84 F85 P87 L96 F100 L108	V81-Q83 PolarHBondContact O-N 3.39Å; V81-S84 PolarHBondContact O-N 2.9Å; V81-S84 VanDerWaalsContact O-N 3.09Å; V81-S84 PolarHBondContact O-OG 2.87Å; V81-S84 VanDerWaalsContact O-OG 3.07Å; V81-F85 HydrophobicContact CB-CE1 3.97Å; V81-F85 HydrophobicContact CB-CE2 4.23Å; V81-F85 HydrophobicContact CB-CZ 3.73Å; V81-F85 HydrophobicContact CG1-CE1 4.23Å; V81-F85 HydrophobicContact CG1-CZ 4.07Å; V81-F85 HydrophobicContact CG2-CE2 4.33Å; V81-F85 HydrophobicContact CG2-CZ 4.18Å; V81-F85 PolarHBondContact N-O 2.85Å; V81-P87 HydrophobicContact CG2-CG 4.11Å; V81-L96 HydrophobicContact CG2-CD1 4.28Å; V81-L96 HydrophobicContact CG2-CD2 4.39Å; V81-F100 HydrophobicContact CG1-CB 3.57Å; V81-F100 HydrophobicContact CG1-CD1 4.26Å; V81-F100 HydrophobicContact CG1-CD2 4Å; V81-F100 HydrophobicContact CG1-CG 3.69Å; V81-L108 HydrophobicContact CG2-CD2 3.69Å
82	H	93.3	Very high	93	Very high	101 Å²	101	69.9 Å²	69.9	47%	0.468	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	25.4	178.6	-64	174	0	0	0	115.5	S84 F100	H82-S84 PolarHBondContact O-N 3.47Å; H82-F100 AromaticContact CE1-CD1 3.92Å; H82-F100 PolarHBondContact NE2-O 2.77Å
83	Q	94.5	Very high	93.4	Very high	107 Å²	107	64.3 Å²	64.3	50%	0.5	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	36.8	-177.6	-54.4	173.2	103.9	0	0	112.8	V81 H109 W116	V81-Q83 PolarHBondContact O-N 3.39Å; Q83-H109 VanDerWaalsContact CG-CE1 3.46Å; Q83-H109 WeakPolarHBondContact CG-CE1 3.07Å; Q83-W116 HydrophobicContact CB-CD2 4.26Å; Q83-W116 HydrophobicContact CB-CH2 4.1Å; Q83-W116 HydrophobicContact CB-CZ2 3.75Å; Q83-W116 HydrophobicContact CG-CH2 3.98Å; Q83-W116 HydrophobicContact CG-CZ2 3.95Å; Q83-W116 VanDerWaalsContact O-CD1 3.25Å; Q83-W116 PolarHBondContact O-NE1 2.73Å
84	S	94.2	Very high	94.3	Very high	55 Å²	55	59.3 Å²	59.3	39%	0.385	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.1	-66.1	-176.6	56.2	0	0	0	0	111.7	V81 H82 W116	V81-S84 PolarHBondContact O-N 2.9Å; V81-S84 VanDerWaalsContact O-N 3.09Å; V81-S84 PolarHBondContact O-OG 2.87Å; V81-S84 VanDerWaalsContact O-OG 3.07Å; H82-S84 PolarHBondContact O-N 3.47Å; S84-W116 WeakPolarHBondContact O-CB 3.48Å
85	F	95.4	Very high	94.9	Very high	70 Å²	70	54.7 Å²	54.7	31%	0.307	29%	0.292	S	S	.	.	B	Isolated β-bridge	trans	-119.7	154.9	-174.2	71.7	-87.6	0	0	0	112.4	Y80 V81 P87 F100	Y80-F85 WeakPolarHBondContact CA-O 3.31Å; V81-F85 HydrophobicContact CB-CE1 3.97Å; V81-F85 HydrophobicContact CB-CE2 4.23Å; V81-F85 HydrophobicContact CB-CZ 3.73Å; V81-F85 HydrophobicContact CG1-CE1 4.23Å; V81-F85 HydrophobicContact CG1-CZ 4.07Å; V81-F85 HydrophobicContact CG2-CE2 4.33Å; V81-F85 HydrophobicContact CG2-CZ 4.18Å; V81-F85 PolarHBondContact N-O 2.85Å; F85-P87 HydrophobicContact CE2-CB 4.24Å; F85-F100 HydrophobicContact CE1-CE1 4.14Å; F85-F100 HydrophobicContact CE1-CZ 4.12Å; F85-F100 HydrophobicContact CZ-CD2 4.31Å; F85-F100 HydrophobicContact CZ-CE1 4.08Å; F85-F100 AromaticContact CZ-CE2 3.76Å; F85-F100 HydrophobicContact CZ-CE2 3.76Å; F85-F100 AromaticContact CZ-CZ 3.64Å; F85-F100 HydrophobicContact CZ-CZ 3.64Å
86	A	96.3	Very high	95.5	Very high	57 Å²	57	51.5 Å²	51.5	47%	0.471	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-96	118.3	170.8	0	0	0	0	0	109.4	I79 Y80	I79-A86 WeakPolarHBondContact O-CA 3.26Å; I79-A86 WeakPolarHBondContact O-CB 3.47Å; Y80-A86 HydrophobicContact CD1-CB 4.03Å; Y80-A86 HydrophobicContact CE1-CB 3.82Å
87	P	96.7	Very high	96	Very high	18 Å²	18	46.8 Å²	46.8	12%	0.117	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-68.4	160.7	176.7	29	-34.1	0	0	0	111.5	V58 I79 V81 F85 Q91 L96	V58-P87 HydrophobicContact CG1-CG 4.19Å; V58-P87 HydrophobicContact CG2-CB 4.22Å; V58-P87 HydrophobicContact CG2-CG 3.77Å; I79-P87 WeakPolarHBondContact O-CD 3.23Å; V81-P87 HydrophobicContact CG2-CG 4.11Å; F85-P87 HydrophobicContact CE2-CB 4.24Å; P87-Q91 HydrophobicContact CB-CB 4.49Å; P87-L96 HydrophobicContact CB-CD1 3.93Å; P87-L96 HydrophobicContact CB-CD2 3.92Å; P87-L96 HydrophobicContact CG-CD1 3.76Å
88	S	96.3	Very high	96	Very high	61 Å²	61	50.6 Å²	50.6	43%	0.427	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-56.2	139.6	173.9	176	0	0	0	0	111	D90 Q91	S88-D90 PolarHBondContact O-N 2.77Å; S88-D90 VanDerWaalsContact O-N 3.17Å; S88-D90 PolarHBondContact OG-N 2.82Å; S88-Q91 WeakPolarHBondContact O-CB 3.12Å; S88-Q91 PolarHBondContact O-N 2.98Å
89	P	95.3	Very high	96.1	Very high	60 Å²	60	52.5 Å²	52.5	39%	0.39	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-30.3	176.2	20.7	-32.4	0	0	0	113.4	T57 V58 Q59 Q91	T57-P89 WeakPolarHBondContact CB-O 3.46Å; V58-P89 PolarHBondContact N-O 3.03Å; Q59-P89 HydrophobicContact CB-CB 3.86Å; Q59-P89 VanDerWaalsContact CB-O 3.31Å; Q59-P89 WeakPolarHBondContact CB-O 3.24Å; Q59-P89 PolarHBondContact N-O 2.96Å; P89-Q91 VanDerWaalsContact C-N 3.34Å
90	D	96.9	Very high	96.1	Very high	118 Å²	118	55 Å²	55	63%	0.631	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-8.9	-179.6	-58.6	-44.9	0	0	0	113.1	S88 E92	S88-D90 PolarHBondContact O-N 2.77Å; S88-D90 VanDerWaalsContact O-N 3.17Å; S88-D90 PolarHBondContact OG-N 2.82Å; D90-E92 PolarHBondContact O-N 2.84Å
91	Q	96.8	Very high	96	Very high	66 Å²	66	57.1 Å²	57.1	31%	0.308	32%	0.32	S	S	.	.	S	Bend	trans	-64.7	131.8	180	-169.5	65.6	52.9	0	0	110.3	T57 V58 P87 S88 P89 V95 L96	T57-Q91 CarbonylContact C-O 3.53Å; T57-Q91 VanDerWaalsContact CA-O 3.3Å; T57-Q91 WeakPolarHBondContact CA-O 3.42Å; V58-Q91 HydrophobicContact CG2-CB 4.22Å; V58-Q91 WeakPolarHBondContact CG2-O 3.42Å; V58-Q91 PolarHBondContact N-O 2.8Å; P87-Q91 HydrophobicContact CB-CB 4.49Å; S88-Q91 WeakPolarHBondContact O-CB 3.12Å; S88-Q91 PolarHBondContact O-N 2.98Å; P89-Q91 VanDerWaalsContact C-N 3.34Å; Q91-V95 VanDerWaalsContact NE2-CG1 3.35Å; Q91-L96 HydrophobicContact CG-CD1 4.38Å; Q91-L96 HydrophobicContact CG-CD2 3.86Å; Q91-L96 HydrophobicContact CG-CG 3.91Å
92	E	97.4	Very high	95.8	Very high	92 Å²	92	60.2 Å²	60.2	43%	0.43	34%	0.341	S	S	.	.	B	Isolated β-bridge	trans	-70.8	135.8	171.9	-68.5	-174.6	-168.4	0	0	111.4	R56 D90 G94 V95 L96	R56-E92 CarbonylContact O-C 3.59Å; R56-E92 WeakPolarHBondContact O-CA 3.38Å; D90-E92 PolarHBondContact O-N 2.84Å; E92-G94 PolarHBondContact O-N 3.26Å; E92-V95 HydrophobicContact CB-CG2 4.23Å; E92-V95 PolarHBondContact O-N 2.98Å; E92-L96 PolarHBondContact O-N 2.95Å
93	V	96.8	Very high	95.7	Very high	0 Å²	0	62 Å²	62	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-66.6	-26.5	179.9	-171.5	0	0	0	0	110.8	I32 V34 R56 L61 L96 F97 L106 L108	I32-V93 HydrophobicContact CD1-CB 4.16Å; I32-V93 HydrophobicContact CD1-CG1 3.61Å; I32-V93 WeakPolarHBondContact CD1-O 3.28Å; V34-V93 HydrophobicContact CG2-CG1 4.04Å; R56-V93 WeakPolarHBondContact O-CG2 3.22Å; R56-V93 PolarHBondContact O-N 3.49Å; L61-V93 HydrophobicContact CD2-CG2 4.11Å; V93-L96 PolarHBondContact O-N 3.41Å; V93-F97 WeakPolarHBondContact O-CB 3.49Å; V93-F97 PolarHBondContact O-N 3.28Å; V93-L106 HydrophobicContact CG1-CD2 3.58Å; V93-L108 HydrophobicContact CG1-CD1 4.4Å
94	G	96.4	Very high	95.6	Very high	3 Å²	3	59.1 Å²	59.1	3%	0.031	35%	0.353	C	S	.	.	H	α-helix	trans	-58.8	-45.3	171.7	0	0	0	0	0	113.2	R54 E92 L96 F97 D98	R54-G94 WeakPolarHBondContact O-CA 3.38Å; R54-G94 PolarHBondContact O-N 3.21Å; E92-G94 PolarHBondContact O-N 3.26Å; G94-L96 VanDerWaalsContact C-N 3.33Å; G94-L96 PolarHBondContact O-N 2.95Å; G94-F97 WeakPolarHBondContact O-CB 3.47Å; G94-F97 PolarHBondContact O-N 3.36Å; G94-D98 PolarHBondContact O-N 3.35Å
95	V	96.4	Very high	95.6	Very high	63 Å²	63	59.5 Å²	59.5	38%	0.382	35%	0.348	S	S	.	.	H	α-helix	trans	-64.7	-40.9	176.8	179.2	0	0	0	0	110.6	Q91 E92 F97 D98 C99	Q91-V95 VanDerWaalsContact NE2-CG1 3.35Å; E92-V95 HydrophobicContact CB-CG2 4.23Å; E92-V95 PolarHBondContact O-N 2.98Å; V95-F97 VanDerWaalsContact C-N 3.28Å; V95-F97 PolarHBondContact O-N 3.24Å; V95-D98 PolarHBondContact O-N 3.49Å; V95-C99 PolarHBondContact O-N 3.3Å; V95-C99 VanDerWaalsContact O-N 3.17Å; V95-C99 PolarHBondContact O-SG 2.83Å
96	L	96.8	Very high	95.7	Very high	6 Å²	6	56.1 Å²	56.1	3%	0.031	33%	0.333	C	S	.	.	H	α-helix	trans	-62.6	-36.8	175.1	-62.9	178.6	0	0	0	112.1	V58 V81 P87 Q91 E92 V93 G94 F100 L106	V58-L96 HydrophobicContact CG2-CD1 3.6Å; V81-L96 HydrophobicContact CG2-CD1 4.28Å; V81-L96 HydrophobicContact CG2-CD2 4.39Å; P87-L96 HydrophobicContact CB-CD1 3.93Å; P87-L96 HydrophobicContact CB-CD2 3.92Å; P87-L96 HydrophobicContact CG-CD1 3.76Å; Q91-L96 HydrophobicContact CG-CD1 4.38Å; Q91-L96 HydrophobicContact CG-CD2 3.86Å; Q91-L96 HydrophobicContact CG-CG 3.91Å; E92-L96 PolarHBondContact O-N 2.95Å; V93-L96 PolarHBondContact O-N 3.41Å; G94-L96 VanDerWaalsContact C-N 3.33Å; G94-L96 PolarHBondContact O-N 2.95Å; L96-F100 HydrophobicContact CB-CD2 4.5Å; L96-F100 HydrophobicContact CD2-CD2 4.11Å; L96-F100 HydrophobicContact CD2-CE2 4.06Å; L96-F100 WeakPolarHBondContact O-CA 3.32Å; L96-F100 WeakPolarHBondContact O-CB 3.42Å; L96-F100 WeakPolarHBondContact O-CD2 3.36Å; L96-F100 PolarHBondContact O-N 2.83Å; L96-L106 HydrophobicContact CB-CD1 4.48Å; L96-L106 HydrophobicContact CB-CD2 3.85Å
97	F	96.9	Very high	95.7	Very high	31 Å²	31	54.7 Å²	54.7	14%	0.136	32%	0.319	C	S	.	.	H	α-helix	trans	-65.5	-45	176.1	-179.4	-83.5	0	0	0	111.4	I32 V93 G94 V95 C99 S101 G104 L106	I32-F97 HydrophobicContact CB-CB 4.36Å; I32-F97 HydrophobicContact CB-CD1 4.45Å; I32-F97 HydrophobicContact CB-CD2 3.54Å; I32-F97 HydrophobicContact CB-CE2 3.87Å; I32-F97 HydrophobicContact CB-CG 3.88Å; I32-F97 HydrophobicContact CB-CZ 4.45Å; I32-F97 HydrophobicContact CD1-CB 3.61Å; I32-F97 HydrophobicContact CD1-CD2 4.08Å; I32-F97 HydrophobicContact CD1-CG 4.08Å; I32-F97 HydrophobicContact CG1-CD2 4.39Å; I32-F97 HydrophobicContact CG2-CB 4.06Å; I32-F97 HydrophobicContact CG2-CD1 3.67Å; I32-F97 HydrophobicContact CG2-CD2 3.7Å; I32-F97 HydrophobicContact CG2-CE1 3.97Å; I32-F97 HydrophobicContact CG2-CE2 4Å; I32-F97 HydrophobicContact CG2-CG 3.53Å; I32-F97 HydrophobicContact CG2-CZ 4.13Å; V93-F97 WeakPolarHBondContact O-CB 3.49Å; V93-F97 PolarHBondContact O-N 3.28Å; G94-F97 WeakPolarHBondContact O-CB 3.47Å; G94-F97 PolarHBondContact O-N 3.36Å; V95-F97 VanDerWaalsContact C-N 3.28Å; V95-F97 PolarHBondContact O-N 3.24Å; F97-C99 VanDerWaalsContact C-N 3.28Å; F97-C99 PolarHBondContact O-N 3.07Å; F97-S101 WeakPolarHBondContact O-CB 3.28Å; F97-S101 PolarHBondContact O-N 2.95Å; F97-S101 PolarHBondContact O-OG 3.37Å; F97-G104 WeakPolarHBondContact CE2-O 3.35Å; F97-G104 WeakPolarHBondContact CZ-O 3.35Å; F97-L106 HydrophobicContact CB-CB 4.3Å; F97-L106 HydrophobicContact CB-CD2 4.28Å; F97-L106 HydrophobicContact CD2-CB 3.69Å; F97-L106 HydrophobicContact CG-CB 4.44Å
98	D	95.6	Very high	95.7	Very high	97 Å²	97	53.9 Å²	53.9	52%	0.519	31%	0.313	S	S	.	.	H	α-helix	trans	-63.6	-35.6	-179	-64.4	-21	0	0	0	112.2	R54 G94 V95	R54-D98 IonicContact CZ-OD1 2.69Å; R54-D98 IonicContact CZ-OD2 3.24Å; R54-D98 IonicContact NH1-OD1 3.6Å; R54-D98 PolarHBondContact NH1-OD1 2.88Å; R54-D98 IonicContact NH2-OD1 2.85Å; R54-D98 PolarHBondContact NH2-OD1 2.99Å; R54-D98 IonicContact NH2-OD2 3.43Å; R54-D98 PolarHBondContact NH2-OD2 3.44Å; G94-D98 PolarHBondContact O-N 3.35Å; V95-D98 PolarHBondContact O-N 3.49Å
99	C	95.5	Very high	95.8	Very high	87 Å²	87	51.6 Å²	51.6	59%	0.588	30%	0.296	S	S	*	.	H	α-helix	trans	-87.8	-32.8	-178.8	-61.5	0	0	0	0	114.3	V95 F97	V95-C99 PolarHBondContact O-N 3.3Å; V95-C99 VanDerWaalsContact O-N 3.17Å; V95-C99 PolarHBondContact O-SG 2.83Å; F97-C99 VanDerWaalsContact C-N 3.28Å; F97-C99 PolarHBondContact O-N 3.07Å
100	F	96.4	Very high	95.9	Very high	62 Å²	62	48.9 Å²	48.9	27%	0.272	28%	0.278	S	S	.	.	H	α-helix	trans	-129.3	6.7	-165	-52.7	-72	0	0	0	114.6	V81 H82 F85 L96 L106	V81-F100 HydrophobicContact CG1-CB 3.57Å; V81-F100 HydrophobicContact CG1-CD1 4.26Å; V81-F100 HydrophobicContact CG1-CD2 4Å; V81-F100 HydrophobicContact CG1-CG 3.69Å; H82-F100 AromaticContact CE1-CD1 3.92Å; H82-F100 PolarHBondContact NE2-O 2.77Å; F85-F100 HydrophobicContact CE1-CE1 4.14Å; F85-F100 HydrophobicContact CE1-CZ 4.12Å; F85-F100 HydrophobicContact CZ-CD2 4.31Å; F85-F100 HydrophobicContact CZ-CE1 4.08Å; F85-F100 AromaticContact CZ-CE2 3.76Å; F85-F100 HydrophobicContact CZ-CE2 3.76Å; F85-F100 AromaticContact CZ-CZ 3.64Å; F85-F100 HydrophobicContact CZ-CZ 3.64Å; L96-F100 HydrophobicContact CB-CD2 4.5Å; L96-F100 HydrophobicContact CD2-CD2 4.11Å; L96-F100 HydrophobicContact CD2-CE2 4.06Å; L96-F100 WeakPolarHBondContact O-CA 3.32Å; L96-F100 WeakPolarHBondContact O-CB 3.42Å; L96-F100 WeakPolarHBondContact O-CD2 3.36Å; L96-F100 PolarHBondContact O-N 2.83Å; F100-L106 HydrophobicContact CB-CD1 4.15Å
101	S	95	Very high	95.8	Very high	46 Å²	46	43.4 Å²	43.4	32%	0.322	25%	0.249	S	C	.	.			trans	-67.5	153.6	173.8	63.3	0	0	0	0	112.2	F97 K105	F97-S101 WeakPolarHBondContact O-CB 3.28Å; F97-S101 PolarHBondContact O-N 2.95Å; F97-S101 PolarHBondContact O-OG 3.37Å; S101-K105 CarbonylContact C-O 3.52Å; S101-K105 WeakPolarHBondContact CA-O 3.41Å; S101-K105 WeakPolarHBondContact CB-O 3.49Å
102	S	92.9	Very high	95.6	Very high	65 Å²	65	43.7 Å²	43.7	46%	0.455	25%	0.249	S	C	.	.	B	Isolated β-bridge	trans	-139.9	135.1	173.9	-175.7	0	0	0	0	108.5	G104 K105	S102-G104 PolarHBondContact O-N 3.48Å; S102-K105 PolarHBondContact N-O 3.42Å; S102-K105 WeakPolarHBondContact O-CG 3.45Å; S102-K105 PolarHBondContact O-N 3.4Å; S102-K105 VanDerWaalsContact O-N 3.07Å
103	D	91.9	Very high	95.2	Very high	137 Å²	137	42.9 Å²	42.9	73%	0.733	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	38.2	-175.4	-32.5	-58.9	0	0	0	113.6	K105	D103-K105 PolarHBondContact O-N 2.89Å; D103-K105 IonicContact OD2-NZ 2.86Å; D103-K105 PolarHBondContact OD2-NZ 3.19Å
104	G	91.8	Very high	94.9	Very high	47 Å²	47	49.7 Å²	49.7	49%	0.485	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.8	14.9	-179.1	0	0	0	0	0	114.9	F97 S102	F97-G104 WeakPolarHBondContact CE2-O 3.35Å; F97-G104 WeakPolarHBondContact CZ-O 3.35Å; S102-G104 PolarHBondContact O-N 3.48Å
105	K	94.7	Very high	94.5	Very high	63 Å²	63	51.7 Å²	51.7	27%	0.274	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	145.2	175.7	56.8	174.7	-175.3	-68.3	0	112	D33 L35 S101 S102 D103	D33-K105 HydrophobicContact CB-CB 4.17Å; D33-K105 CarbonylContact O-C 3.51Å; D33-K105 VanDerWaalsContact O-CA 3.29Å; D33-K105 WeakPolarHBondContact O-CA 3.37Å; L35-K105 HydrophobicContact CD2-CD 4.42Å; S101-K105 CarbonylContact C-O 3.52Å; S101-K105 WeakPolarHBondContact CA-O 3.41Å; S101-K105 WeakPolarHBondContact CB-O 3.49Å; S102-K105 PolarHBondContact N-O 3.42Å; S102-K105 WeakPolarHBondContact O-CG 3.45Å; S102-K105 PolarHBondContact O-N 3.4Å; S102-K105 VanDerWaalsContact O-N 3.07Å; D103-K105 PolarHBondContact O-N 2.89Å; D103-K105 IonicContact OD2-NZ 2.86Å; D103-K105 PolarHBondContact OD2-NZ 3.19Å
106	L	96.8	Very high	94.2	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	121.6	169.6	176.7	65.6	0	0	0	109.6	D33 V34 L35 V93 L96 F97 F100 L108	D33-L106 PolarHBondContact O-N 2.89Å; V34-L106 CarbonylContact C-O 3.59Å; V34-L106 WeakPolarHBondContact CA-O 3.49Å; L35-L106 PolarHBondContact N-O 3.39Å; V93-L106 HydrophobicContact CG1-CD2 3.58Å; L96-L106 HydrophobicContact CB-CD1 4.48Å; L96-L106 HydrophobicContact CB-CD2 3.85Å; F97-L106 HydrophobicContact CB-CB 4.3Å; F97-L106 HydrophobicContact CB-CD2 4.28Å; F97-L106 HydrophobicContact CD2-CB 3.69Å; F97-L106 HydrophobicContact CG-CB 4.44Å; F100-L106 HydrophobicContact CB-CD1 4.15Å; L106-L108 HydrophobicContact CD1-CD2 4.26Å; L106-L108 HydrophobicContact CD2-CD1 4.19Å; L106-L108 HydrophobicContact CD2-CD2 4.02Å; L106-L108 HydrophobicContact CD2-CG 4.13Å; L106-L108 HydrophobicContact CG-CD2 3.96Å; L106-L108 HydrophobicContact CG-CG 4.04Å
107	V	96.9	Very high	93.2	Very high	27 Å²	27	57.9 Å²	57.9	16%	0.164	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	118.4	177.1	-173	0	0	0	0	109.6	L35 K37	L35-V107 HydrophobicContact CB-CG2 4.28Å; L35-V107 HydrophobicContact CD2-CG1 4.39Å; L35-V107 HydrophobicContact CD2-CG2 4.14Å; L35-V107 WeakPolarHBondContact O-CA 3.4Å; K37-V107 HydrophobicContact CD-CG1 3.89Å; K37-V107 HydrophobicContact CG-CG1 4.37Å
108	L	97.3	Very high	93	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.005	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	137.3	177	-61.4	179.6	0	0	0	110.4	V34 L35 L36 K37 L61 I79 Y80 V81 V93 L106	V34-L108 HydrophobicContact CG1-CB 4.5Å; V34-L108 HydrophobicContact CG1-CD1 3.72Å; V34-L108 HydrophobicContact CG1-CG 4.06Å; L35-L108 PolarHBondContact O-N 2.97Å; L36-L108 WeakPolarHBondContact CA-O 3.42Å; L36-L108 HydrophobicContact CD2-CB 4.03Å; L36-L108 HydrophobicContact CD2-CD1 4.41Å; K37-L108 PolarHBondContact N-O 3.21Å; L61-L108 HydrophobicContact CD2-CD1 3.48Å; L61-L108 VanDerWaalsContact CD2-CD1 3.48Å; I79-L108 HydrophobicContact CG2-CB 4.15Å; I79-L108 HydrophobicContact CG2-CD1 4.13Å; I79-L108 HydrophobicContact CG2-CD2 4.14Å; I79-L108 HydrophobicContact CG2-CG 4.37Å; Y80-L108 WeakPolarHBondContact O-CA 3.42Å; V81-L108 HydrophobicContact CG2-CD2 3.69Å; V93-L108 HydrophobicContact CG1-CD1 4.4Å; L106-L108 HydrophobicContact CD1-CD2 4.26Å; L106-L108 HydrophobicContact CD2-CD1 4.19Å; L106-L108 HydrophobicContact CD2-CD2 4.02Å; L106-L108 HydrophobicContact CD2-CG 4.13Å; L106-L108 HydrophobicContact CG-CD2 3.96Å; L106-L108 HydrophobicContact CG-CG 4.04Å
109	H	97.6	Very high	92.9	Very high	13 Å²	13	57.2 Å²	57.2	6%	0.06	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	126.5	178.2	-62.6	78.5	0	0	0	108.8	K37 V39 I79 Y80 Q83 W116	K37-H109 CarbonylContact O-C 3.54Å; K37-H109 VanDerWaalsContact O-CA 3.26Å; K37-H109 WeakPolarHBondContact O-CA 3.41Å; V39-H109 HydrophobicContact CG2-CB 3.67Å; I79-H109 CarbonylContact C-O 3.53Å; I79-H109 WeakPolarHBondContact CA-O 3.3Å; Y80-H109 PolarHBondContact N-O 2.95Å; Y80-H109 PolarHBondContact O-N 3.4Å; Q83-H109 VanDerWaalsContact CG-CE1 3.46Å; Q83-H109 WeakPolarHBondContact CG-CE1 3.07Å; H109-W116 HydrophobicContact CB-CH2 4.25Å; H109-W116 HydrophobicContact CB-CZ3 3.94Å
110	Y	96.5	Very high	92.7	Very high	2 Å²	2	55.6 Å²	55.6	1%	0.008	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	140.8	-178.3	67.3	-92.8	0	0	0	111.4	L36 K37 A38 V39 T42 P43 I44 M45 I65 L69 L77 F78	L36-Y110 HydrophobicContact CB-CD1 4.05Å; L36-Y110 HydrophobicContact CB-CE1 3.91Å; K37-Y110 VanDerWaalsContact O-CD1 3.23Å; K37-Y110 WeakPolarHBondContact O-CD1 3.06Å; K37-Y110 PolarHBondContact O-N 3.01Å; A38-Y110 HydrophobicContact CB-CE1 4.21Å; A38-Y110 HydrophobicContact CB-CE2 3.81Å; A38-Y110 WeakPolarHBondContact CB-OH 3.29Å; V39-Y110 PolarHBondContact N-O 3.34Å; T42-Y110 HydrophobicContact CG2-CD2 3.69Å; T42-Y110 HydrophobicContact CG2-CE2 3.62Å; P43-Y110 WeakPolarHBondContact O-CE2 3.39Å; P43-Y110 PolarHBondContact O-OH 3.38Å; I44-Y110 WeakPolarHBondContact CA-OH 3.43Å; M45-Y110 HydrophobicContact CG-CE1 4.46Å; M45-Y110 WeakPolarHBondContact CG-OH 3.46Å; M45-Y110 PolarHBondContact N-OH 3.25Å; M45-Y110 HydrophobicContact SD-CE1 4.35Å; I65-Y110 HydrophobicContact CD1-CD1 4.46Å; I65-Y110 HydrophobicContact CD1-CG 4.44Å; I65-Y110 HydrophobicContact CG2-CD2 4Å; I65-Y110 HydrophobicContact CG2-CE2 4.16Å; I65-Y110 HydrophobicContact CG2-CG 4.26Å; L69-Y110 HydrophobicContact CD1-CD2 4.45Å; L69-Y110 HydrophobicContact CD1-CE2 3.71Å; L77-Y110 HydrophobicContact CD1-CD2 4.23Å; F78-Y110 CarbonylContact O-C 3.59Å; F78-Y110 VanDerWaalsContact O-CA 3.22Å; F78-Y110 WeakPolarHBondContact O-CA 3.45Å
111	C	94.8	Very high	92.5	Very high	4 Å²	4	55.2 Å²	55.2	3%	0.027	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	149.8	-177.3	-158.9	0	0	0	0	112.1	V39 T42 F78 S113	V39-C111 HydrophobicContact CB-CB 3.98Å; V39-C111 PolarHBondContact O-SG 3.12Å; T42-C111 WeakPolarHBondContact OG1-CA 3.43Å; F78-C111 PolarHBondContact N-O 2.91Å; F78-C111 PolarHBondContact O-N 3.25Å; C111-S113 WeakPolarHBondContact CB-O 3.37Å; C111-S113 PolarHBondContact SG-O 3.09Å; C111-S113 VanDerWaalsContact SG-O 3.36Å
112	K	92.5	Very high	92.3	Very high	71 Å²	71	55.8 Å²	55.8	31%	0.309	35%	0.353	S	S	.	.	S	Bend	trans	-75.6	-27.8	171.3	-65.3	-167.8	178.6	-160.9	0	113.6	T42 L71 E75 F78	T42-K112 HydrophobicContact CG2-CG 4.03Å; T42-K112 PolarHBondContact OG1-N 3.48Å; T42-K112 VanDerWaalsContact OG1-N 3.07Å; L71-K112 HydrophobicContact CD1-CG 4.44Å; L71-K112 VanDerWaalsContact CD2-CE 3.44Å; E75-K112 IonicContact OE1-NZ 3.91Å; E75-K112 PolarHBondContact OE1-NZ 3.46Å; E75-K112 WeakPolarHBondContact OE2-CE 3.4Å; E75-K112 IonicContact OE2-NZ 2.72Å; E75-K112 PolarHBondContact OE2-NZ 3.46Å; F78-K112 WeakPolarHBondContact CE2-O 3.19Å
113	S	90.3	Very high	92.3	Very high	76 Å²	76	55.1 Å²	55.1	53%	0.531	35%	0.346	S	S	.	.	S	Bend	trans	-111.8	157.4	177.4	58	0	0	0	0	110.4	C111 A115	C111-S113 WeakPolarHBondContact CB-O 3.37Å; C111-S113 PolarHBondContact SG-O 3.09Å; C111-S113 VanDerWaalsContact SG-O 3.36Å; S113-A115 PolarHBondContact O-N 2.96Å
114	Q	90.2	Very high	92.3	Very high	143 Å²	143	49.3 Å²	49.3	67%	0.668	32%	0.318	S	S	*	.			trans	-61.6	128.1	171.4	-164.3	174.3	-8.9	0	0	109.1	Y80	Y80-Q114 WeakPolarHBondContact OH-CA 3.33Å; Y80-Q114 VanDerWaalsContact OH-CG 3.24Å; Y80-Q114 WeakPolarHBondContact OH-CG 3.46Å
115	A	88.4	Confident	92.4	Very high	44 Å²	44	49.5 Å²	49.5	36%	0.364	31%	0.306	S	S	.	.			trans	-116	-39.3	-174.3	0	0	0	0	0	112.5	V39 Y80 S113	V39-A115 HydrophobicContact CG1-CB 4.22Å; Y80-A115 HydrophobicContact CE2-CB 4.03Å; Y80-A115 PolarHBondContact OH-N 3.02Å; S113-A115 PolarHBondContact O-N 2.96Å
116	W	89.1	Confident	92.2	Very high	75 Å²	75	48.3 Å²	48.3	28%	0.284	31%	0.308	S	S	.	.			trans	-132.8	160.5	178.1	-56.2	-81.8	0	0	0	110.5	V39 Y80 Q83 S84 H109	V39-W116 HydrophobicContact CB-CH2 4.16Å; V39-W116 HydrophobicContact CB-CZ3 4.39Å; V39-W116 HydrophobicContact CG1-CH2 3.53Å; V39-W116 HydrophobicContact CG1-CZ2 4.23Å; V39-W116 HydrophobicContact CG1-CZ3 3.99Å; V39-W116 HydrophobicContact CG2-CH2 3.5Å; V39-W116 VanDerWaalsContact CG2-CH2 3.5Å; V39-W116 HydrophobicContact CG2-CZ3 3.73Å; Y80-W116 HydrophobicContact CD1-CB 4.04Å; Y80-W116 AromaticContact CD1-CE3 3.88Å; Y80-W116 HydrophobicContact CD1-CE3 3.88Å; Y80-W116 AromaticContact CD2-CE3 3.59Å; Y80-W116 HydrophobicContact CD2-CE3 3.59Å; Y80-W116 AromaticContact CD2-CZ3 3.86Å; Y80-W116 HydrophobicContact CD2-CZ3 3.86Å; Y80-W116 HydrophobicContact CE1-CB 3.91Å; Y80-W116 HydrophobicContact CE1-CE3 4.3Å; Y80-W116 WeakPolarHBondContact CE1-O 3.48Å; Y80-W116 HydrophobicContact CE2-CE3 4.01Å; Y80-W116 HydrophobicContact CE2-CZ3 4.5Å; Y80-W116 AromaticContact CG-CE3 3.5Å; Y80-W116 HydrophobicContact CG-CE3 3.5Å; Y80-W116 VanDerWaalsContact CG-CE3 3.5Å; Y80-W116 HydrophobicContact CG-CZ3 4.01Å; Y80-W116 PolarHBondContact OH-N 3.11Å; Y80-W116 PolarHBondContact OH-O 2.86Å; Q83-W116 HydrophobicContact CB-CD2 4.26Å; Q83-W116 HydrophobicContact CB-CH2 4.1Å; Q83-W116 HydrophobicContact CB-CZ2 3.75Å; Q83-W116 HydrophobicContact CG-CH2 3.98Å; Q83-W116 HydrophobicContact CG-CZ2 3.95Å; Q83-W116 VanDerWaalsContact O-CD1 3.25Å; Q83-W116 PolarHBondContact O-NE1 2.73Å; S84-W116 WeakPolarHBondContact O-CB 3.48Å; H109-W116 HydrophobicContact CB-CH2 4.25Å; H109-W116 HydrophobicContact CB-CZ3 3.94Å
117	G	75.7	Confident	91.7	Very high	124 Å²	124	52.7 Å²	52.7	100%	1.278	34%	0.336	S	S	*	.			trans	-175.5	0	-176	0	0	0	0	0	110.8

Retrieved 117 of 117 residues in 242.3 ms (Link to these results)

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