A0A077Z7R1_TRITR Loading...

E3 ubiquitin protein ligase RBX1

AlphaFold DB , UniProt , Accession A0A077Z7R1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 117 aa.

						>A0A077Z7R1_TRITR|A0A077Z7R1
MGEPSTSEKMDVDSDSEQPPPDNAVPPKPRFQVKKWNAVAMWAWDIAVDNCAVCRNHIMELCIECQAAQSTGQTEECTVAWGVCNHAFHFHCISRWLKTRHVCPLDNRDWEFQKYGK
					

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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	43.5	Very low	45	Very low	253 Å²	253	151.7 Å²	151.7	100%	1.246	85%	0.849	S	S	*	*				0	93.2	0	-53.5	-177.5	-169.3	0	0	104.3
2	G	40.7	Very low	45.4	Very low	82 Å²	82	150.3 Å²	150.3	85%	0.845	85%	0.846	S	S	*	*				101.1	83.6	66.8	0	0	0	0	0	107.5
3	E	44.2	Very low	45.4	Very low	188 Å²	188	150.9 Å²	150.9	88%	0.879	85%	0.847	S	S	*	*			trans	-81.6	178.7	162.8	-78.9	-166.7	107.6	0	0	109.6
4	P	47.8	Very low	45.3	Very low	115 Å²	115	147.4 Å²	147.4	75%	0.747	84%	0.836	S	S	*	*			cis	-137.4	-174.1	-7.4	18.5	8.6	0	0	0	112.7
5	S	43.2	Very low	45.1	Very low	114 Å²	114	148.1 Å²	148.1	80%	0.797	84%	0.837	S	S	*	*				166.3	132.7	120.9	-171.2	0	0	0	0	112.3
6	T	40.8	Very low	45.4	Very low	111 Å²	111	144.9 Å²	144.9	68%	0.681	83%	0.827	S	S	*	*			trans	-65.3	150	176.5	40.9	0	0	0	0	113.3
7	S	45.2	Very low	45.4	Very low	129 Å²	129	147.8 Å²	147.8	90%	0.902	83%	0.832	S	S	*	*			trans	-134.7	104.9	152.1	-122.3	0	0	0	0	108
8	E	42.5	Very low	45.7	Very low	163 Å²	163	149.4 Å²	149.4	76%	0.762	83%	0.831	S	S	*	*			trans	-63.7	144.7	-179.6	-80.6	156	81.8	0	0	112.1
9	K	48.4	Very low	46	Very low	187 Å²	187	147.4 Å²	147.4	81%	0.813	83%	0.826	S	S	*	*			trans	-70.2	130.2	167.2	-67.4	169.3	178.1	172.7	0	108.2	D11	K9-D11 PolarHBondContact O-N 3.49Å
10	M	52.3	Low	46.5	Very low	186 Å²	186	145.5 Å²	145.5	92%	0.916	82%	0.82	S	S	*	*			trans	-89.9	97.4	169.6	-68.1	176.7	-103.1	0	0	107.8
11	D	46.6	Very low	46.9	Very low	141 Å²	141	143.4 Å²	143.4	75%	0.754	81%	0.812	S	S	*	*			trans	-82.2	123	166.4	-73.2	-64.4	0	0	0	108.2	K9 D13	K9-D11 PolarHBondContact O-N 3.49Å; D11-D13 PolarHBondContact O-N 3.21Å
12	V	49.1	Very low	47.7	Very low	134 Å²	134	139.5 Å²	139.5	81%	0.812	80%	0.796	S	S	*	*			trans	-72.5	106.5	176.9	168.8	0	0	0	0	108.1	S14	V12-S14 PolarHBondContact O-N 3.28Å
13	D	46.2	Very low	48.5	Very low	159 Å²	159	142.7 Å²	142.7	85%	0.85	79%	0.794	S	S	*	*			trans	-61.3	121.6	171	-100.2	-49.5	0	0	0	110	D11 D15	D11-D13 PolarHBondContact O-N 3.21Å; D13-D15 PolarHBondContact O-N 3.27Å
14	S	43.6	Very low	49	Very low	101 Å²	101	137.1 Å²	137.1	71%	0.706	78%	0.78	S	S	*	*			trans	-71.4	107.9	172.5	-70.6	0	0	0	0	108.9	V12 S16	V12-S14 PolarHBondContact O-N 3.28Å; S14-S16 PolarHBondContact O-N 3.22Å; S14-S16 PolarHBondContact O-OG 3.43Å
15	D	42.9	Very low	49.9	Very low	159 Å²	159	137.4 Å²	137.4	85%	0.85	78%	0.78	S	S	*	*			trans	-61	97.9	172.7	-162.7	24.9	0	0	0	108.9	D13 E17	D13-D15 PolarHBondContact O-N 3.27Å; D15-E17 PolarHBondContact O-N 2.89Å
16	S	49.7	Very low	51.3	Low	96 Å²	96	136.9 Å²	136.9	67%	0.671	77%	0.773	S	S	*	*			trans	-75.7	105	177.3	-63.4	0	0	0	0	107.7	S14 Q18	S14-S16 PolarHBondContact O-N 3.22Å; S14-S16 PolarHBondContact O-OG 3.43Å; S16-Q18 PolarHBondContact O-N 2.83Å
17	E	44.8	Very low	52.8	Low	195 Å²	195	137.5 Å²	137.5	91%	0.911	78%	0.78	S	S	*	*			trans	-51.7	95.5	169	-108.4	162.5	93.4	0	0	109.9	D15	D15-E17 PolarHBondContact O-N 2.89Å
18	Q	51.6	Low	54.3	Low	176 Å²	176	140.2 Å²	140.2	82%	0.822	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-76.2	134.1	163.8	-78.1	-173.3	-56.2	0	0	108.5	S16	S16-Q18 PolarHBondContact O-N 2.83Å
19	P	51.2	Low	56.2	Low	112 Å²	112	136.4 Å²	136.4	73%	0.727	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-62.1	142.7	176.2	27.6	-33	0	0	0	109.3
20	P	55.2	Low	57.9	Low	108 Å²	108	138.3 Å²	138.3	70%	0.701	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-61.1	139.5	-178.7	25.8	-32.7	0	0	0	109.3	D22	P20-D22 PolarHBondContact O-N 2.74Å
21	P	55.7	Low	59.6	Low	102 Å²	102	138 Å²	138	66%	0.662	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-59.5	136.4	177.6	24.2	-32.6	0	0	0	109.9	N23 A24	P21-N23 PolarHBondContact O-N 3.39Å; P21-A24 PolarHBondContact O-N 3.05Å
22	D	60.4	Low	61.5	Low	171 Å²	171	138.7 Å²	138.7	91%	0.914	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	16.7	-177.6	-130.4	-8.3	0	0	0	114.6	P20	P20-D22 PolarHBondContact O-N 2.74Å
23	N	57.5	Low	63.5	Low	150 Å²	150	138.1 Å²	138.1	80%	0.802	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.2	27.6	177.3	-88.6	-53.9	0	0	0	111.8	P21 V25	P21-N23 PolarHBondContact O-N 3.39Å; N23-V25 VanDerWaalsContact C-N 3.3Å; N23-V25 PolarHBondContact O-N 2.86Å
24	A	55	Low	65.7	Low	70 Å²	70	140.3 Å²	140.3	58%	0.579	76%	0.758	S	S	*	*			trans	-68.4	89.8	171.8	0	0	0	0	0	109.7	P21 P26	P21-A24 PolarHBondContact O-N 3.05Å; A24-P26 WeakPolarHBondContact O-CD 3.42Å; A24-P26 VanDerWaalsContact O-N 3.1Å
25	V	66.7	Low	67.9	Low	122 Å²	122	143.4 Å²	143.4	74%	0.739	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-52.4	118.3	165	177.6	0	0	0	0	106.4	N23	N23-V25 VanDerWaalsContact C-N 3.3Å; N23-V25 PolarHBondContact O-N 2.86Å
26	P	71.4	Confident	70.3	Confident	102 Å²	102	145.9 Å²	145.9	66%	0.662	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-55.2	135.3	-178.7	20.6	-31.1	0	0	0	108.3	A24 K28	A24-P26 WeakPolarHBondContact O-CD 3.42Å; A24-P26 VanDerWaalsContact O-N 3.1Å; P26-K28 PolarHBondContact O-N 3.23Å
27	P	73.3	Confident	72.4	Confident	125 Å²	125	147.3 Å²	147.3	81%	0.812	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-54.8	120.4	-174.5	20.5	-31.1	0	0	0	108.7
28	K	76.8	Confident	74.7	Confident	185 Å²	185	141.3 Å²	141.3	80%	0.804	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-53.9	130.6	-177.7	-103.3	176.8	178.4	169.7	0	108.9	P26 R30	P26-K28 PolarHBondContact O-N 3.23Å; K28-R30 PolarHBondContact O-N 3.03Å
29	P	82.7	Confident	76.8	Confident	84 Å²	84	139.8 Å²	139.8	55%	0.545	74%	0.742	S	S	.	*	P	Polyproline II helix	trans	-58.1	128.4	-179.6	22.6	-31.9	0	0	0	109.6	F31	P29-F31 PolarHBondContact O-N 3.14Å; P29-F31 VanDerWaalsContact O-N 3.14Å
30	R	82.5	Confident	78.7	Confident	227 Å²	227	138.9 Å²	138.9	86%	0.857	74%	0.744	S	S	*	*	S	Bend	trans	-58.9	-28.1	-172.2	-176.5	172.5	172.6	149.8	-2.1	113.4	K28	K28-R30 PolarHBondContact O-N 3.03Å
31	F	88.2	Confident	80.3	Confident	180 Å²	180	142.8 Å²	142.8	79%	0.789	76%	0.755	S	S	*	*			trans	-125.4	129.9	174.1	-64.6	-73.4	0	0	0	109.6	P29	P29-F31 PolarHBondContact O-N 3.14Å; P29-F31 VanDerWaalsContact O-N 3.14Å
32	Q	87.5	Confident	81.7	Confident	154 Å²	154	147.1 Å²	147.1	72%	0.72	76%	0.759	S	S	*	*			trans	-131.9	115.7	177	-149	175.6	25.7	0	0	108.5	K34	Q32-K34 PolarHBondContact O-N 3.18Å
33	V	90.1	Very high	82.3	Confident	123 Å²	123	143.1 Å²	143.1	75%	0.745	75%	0.749	S	S	*	*			trans	-70.4	111.2	177.6	179.9	0	0	0	0	108.1	W36	V33-W36 HydrophobicContact CG1-CB 4.16Å
34	K	92.1	Very high	83	Confident	205 Å²	205	141.5 Å²	141.5	89%	0.891	73%	0.732	S	S	*	*			trans	-78.1	-41	179.7	-72.3	-174.3	174.2	-179	0	112.8	Q32	Q32-K34 PolarHBondContact O-N 3.18Å
35	K	91.1	Very high	83.9	Confident	166 Å²	166	144.8 Å²	144.8	72%	0.722	74%	0.74	S	S	*	*			trans	-155.5	135.2	-178.3	-173.2	173.2	-177.7	175.8	0	108.4	N37	K35-N37 WeakPolarHBondContact CE-OD1 3.38Å
36	W	93.5	Very high	84.3	Confident	210 Å²	210	140.2 Å²	140.2	80%	0.795	71%	0.711	S	S	*	*			trans	-124.7	125.5	174.5	-176.2	31.4	0	0	0	108.6	V33 A38	V33-W36 HydrophobicContact CG1-CB 4.16Å; W36-A38 HydrophobicContact CD2-CB 4.41Å; W36-A38 HydrophobicContact CH2-CB 4.46Å; W36-A38 HydrophobicContact CZ2-CB 3.86Å
37	N	93.7	Very high	84.2	Confident	127 Å²	127	140.1 Å²	140.1	68%	0.679	72%	0.719	S	S	*	*			trans	-113.9	97.4	170	-56	-52	0	0	0	106.8	K35	K35-N37 WeakPolarHBondContact CE-OD1 3.38Å
38	A	93.4	Very high	84.3	Confident	69 Å²	69	137.3 Å²	137.3	57%	0.57	70%	0.699	S	S	*	*			trans	-79.5	138.7	176.9	0	0	0	0	0	110.1	W36	W36-A38 HydrophobicContact CD2-CB 4.41Å; W36-A38 HydrophobicContact CH2-CB 4.46Å; W36-A38 HydrophobicContact CZ2-CB 3.86Å
39	V	94	Very high	84.6	Confident	143 Å²	143	132.7 Å²	132.7	87%	0.867	68%	0.683	S	S	*	*			trans	-111	126.3	167.1	-179.7	0	0	0	0	106.5
40	A	92.7	Very high	84.9	Confident	93 Å²	93	132.5 Å²	132.5	77%	0.769	68%	0.677	S	S	*	*			trans	-124.8	147.3	177.3	0	0	0	0	0	109.7
41	M	87.9	Confident	85.4	Confident	190 Å²	190	121.7 Å²	121.7	94%	0.936	64%	0.637	S	S	*	*			trans	-102.8	142.7	165.3	-60.9	-177.5	-64.4	0	0	107.3
42	W	85.1	Confident	85.5	Confident	194 Å²	194	115 Å²	115	74%	0.735	61%	0.614	S	S	*	*			trans	-109.3	146.4	174	65.4	-85	0	0	0	108.8	W44	W42-W44 HydrophobicContact CZ3-CD2 4.24Å; W42-W44 AromaticContact CZ3-CE2 3.75Å; W42-W44 HydrophobicContact CZ3-CZ2 4.04Å; W42-W44 AromaticContact CZ3-NE1 3.74Å
43	A	73	Confident	85.6	Confident	86 Å²	86	110.1 Å²	110.1	71%	0.711	60%	0.595	S	S	*	*			trans	-135.9	161.2	166.7	0	0	0	0	0	107.4
44	W	71.8	Confident	85.8	Confident	116 Å²	116	105 Å²	105	44%	0.439	57%	0.565	S	S	.	*			trans	-68.5	133.7	168.2	-71.5	120.1	0	0	0	109.1	W42 I46 W81	W42-W44 HydrophobicContact CZ3-CD2 4.24Å; W42-W44 AromaticContact CZ3-CE2 3.75Å; W42-W44 HydrophobicContact CZ3-CZ2 4.04Å; W42-W44 AromaticContact CZ3-NE1 3.74Å; W44-I46 HydrophobicContact CB-CD1 3.85Å; W44-I46 HydrophobicContact CB-CG1 3.83Å; W44-I46 HydrophobicContact CB-CG2 4.27Å; W44-I46 PolarHBondContact O-N 3.42Å; W44-W81 HydrophobicContact CB-CH2 3.86Å; W44-W81 HydrophobicContact CB-CZ2 4.31Å; W44-W81 AromaticContact CD2-CH2 3.75Å; W44-W81 HydrophobicContact CD2-CH2 3.75Å; W44-W81 AromaticContact CD2-CZ2 3.43Å; W44-W81 HydrophobicContact CD2-CZ2 3.43Å; W44-W81 VanDerWaalsContact CD2-CZ2 3.43Å; W44-W81 AromaticContact CE3-CH2 3.48Å; W44-W81 HydrophobicContact CE3-CH2 3.48Å; W44-W81 VanDerWaalsContact CE3-CH2 3.48Å; W44-W81 AromaticContact CE3-CZ2 3.3Å; W44-W81 HydrophobicContact CE3-CZ2 3.3Å; W44-W81 AromaticContact CG-CH2 3.92Å; W44-W81 HydrophobicContact CG-CH2 3.92Å; W44-W81 AromaticContact CG-CZ2 3.86Å; W44-W81 HydrophobicContact CG-CZ2 3.86Å; W44-W81 HydrophobicContact CH2-CZ2 4.37Å; W44-W81 HydrophobicContact CZ2-CZ2 4.47Å; W44-W81 HydrophobicContact CZ3-CH2 4.28Å; W44-W81 AromaticContact CZ3-CZ2 3.81Å; W44-W81 HydrophobicContact CZ3-CZ2 3.81Å
45	D	75.3	Confident	85.7	Confident	139 Å²	139	105.5 Å²	105.5	74%	0.743	56%	0.561	S	S	*	*			trans	-77.1	65.4	173.7	-174.9	30.6	0	0	0	109.9
46	I	73.6	Confident	85.7	Confident	26 Å²	26	99.1 Å²	99.1	13%	0.133	54%	0.535	C	S	.	.			trans	-121	141	-179.7	58	-177.6	0	0	0	109.5	W44 V48 I58 W81 A87	W44-I46 HydrophobicContact CB-CD1 3.85Å; W44-I46 HydrophobicContact CB-CG1 3.83Å; W44-I46 HydrophobicContact CB-CG2 4.27Å; W44-I46 PolarHBondContact O-N 3.42Å; I46-V48 WeakPolarHBondContact CD1-O 3.3Å; I46-V48 PolarHBondContact O-N 3.04Å; I46-I58 HydrophobicContact CD1-CD1 3.71Å; I46-W81 HydrophobicContact CG2-CE3 4.38Å; I46-W81 HydrophobicContact CG2-CH2 3.31Å; I46-W81 HydrophobicContact CG2-CZ2 4.44Å; I46-W81 HydrophobicContact CG2-CZ3 3.25Å; I46-A87 HydrophobicContact CG2-CB 4.08Å
47	A	70.4	Confident	85.5	Confident	100 Å²	100	92.4 Å²	92.4	83%	0.826	51%	0.512	S	S	*	.	S	Bend	trans	-67.5	-22.4	177.6	0	0	0	0	0	112.6
48	V	75.4	Confident	85.2	Confident	66 Å²	66	86.6 Å²	86.6	40%	0.4	48%	0.481	S	S	.	.			trans	-142.3	118.1	-172	-167.3	0	0	0	0	109.9	I46 N50	I46-V48 WeakPolarHBondContact CD1-O 3.3Å; I46-V48 PolarHBondContact O-N 3.04Å; V48-N50 HydrophobicContact CG1-CB 4.07Å; V48-N50 WeakPolarHBondContact CG1-O 3.38Å; V48-N50 PolarHBondContact O-N 3.01Å
49	D	82.9	Confident	84.8	Confident	88 Å²	88	89.3 Å²	89.3	47%	0.471	48%	0.483	S	S	.	.	S	Bend	trans	-73.8	-6.8	175.6	-69.1	-42	0	0	0	113.6	I58	D49-I58 WeakPolarHBondContact O-CB 3.41Å; D49-I58 PolarHBondContact O-N 3.21Å
50	N	89.4	Confident	84.4	Confident	80 Å²	80	87.5 Å²	87.5	43%	0.428	47%	0.465	S	S	.	.	B	Isolated β-bridge	trans	-105.4	133.7	-179.2	-58.6	-21.2	0	0	0	110.2	V48 A52 N56	V48-N50 HydrophobicContact CG1-CB 4.07Å; V48-N50 WeakPolarHBondContact CG1-O 3.38Å; V48-N50 PolarHBondContact O-N 3.01Å; N50-A52 PolarHBondContact O-N 2.86Å; N50-A52 VanDerWaalsContact O-N 3.11Å; N50-N56 WeakPolarHBondContact CA-O 3.09Å
51	C	91.6	Very high	84.2	Confident	0 Å²	0	85.4 Å²	85.4	0%	0	44%	0.441	C	S	.	.			trans	-63.3	114.3	173.4	174.5	0	0	0	0	109.3	V53 C54 R55 N56 I58 H89	C51-V53 PolarHBondContact O-N 3.28Å; C51-C54 PolarHBondContact O-N 3.43Å; C51-C54 VanDerWaalsContact SG-SG 3.68Å; C51-R55 WeakPolarHBondContact O-CA 3.37Å; C51-R55 PolarHBondContact O-N 2.88Å; C51-N56 PolarHBondContact N-O 3.03Å; C51-I58 HydrophobicContact CB-CG1 4.25Å; C51-H89 WeakPolarHBondContact CB-ND1 2.91Å
52	A	90.1	Very high	84.4	Confident	39 Å²	39	76.3 Å²	76.3	32%	0.322	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-21.7	-174.4	0	0	0	0	0	114.3	N50 F88 L105	N50-A52 PolarHBondContact O-N 2.86Å; N50-A52 VanDerWaalsContact O-N 3.11Å; A52-F88 HydrophobicContact CB-CD1 4.48Å; A52-F88 HydrophobicContact CB-CE1 3.76Å; A52-L105 HydrophobicContact CB-CD1 4.37Å; A52-L105 HydrophobicContact CB-CD2 3.85Å; A52-L105 HydrophobicContact CB-CG 4.07Å
53	V	91.5	Very high	84.6	Confident	52 Å²	52	71.5 Å²	71.5	32%	0.315	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-47.8	-179.3	179.8	0	0	0	0	111.8	C51 F88 C92 P104	C51-V53 PolarHBondContact O-N 3.28Å; V53-F88 HydrophobicContact CG2-CD1 4.4Å; V53-C92 HydrophobicContact CB-CB 3.83Å; V53-C92 HydrophobicContact CG1-CB 3.83Å; V53-C92 HydrophobicContact CG2-CB 4.46Å; V53-P104 HydrophobicContact CG2-CB 4.48Å; V53-P104 HydrophobicContact CG2-CG 3.79Å
54	C	92.5	Very high	85.3	Confident	16 Å²	16	70.6 Å²	70.6	11%	0.108	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-6.5	-178	71.6	0	0	0	0	114	C51 N56 I63 H89 C92	C51-C54 PolarHBondContact O-N 3.43Å; C51-C54 VanDerWaalsContact SG-SG 3.68Å; C54-N56 PolarHBondContact O-N 3.28Å; C54-I63 HydrophobicContact CB-CB 4.47Å; C54-I63 HydrophobicContact CB-CD1 4.02Å; C54-I63 HydrophobicContact CB-CG1 4.02Å; C54-I63 WeakPolarHBondContact O-CD1 3.25Å; C54-H89 PolarHBondContact SG-ND1 2.8Å; C54-C92 VanDerWaalsContact CB-SG 3.58Å
55	R	91	Very high	86.1	Confident	216 Å²	216	65.5 Å²	65.5	82%	0.815	35%	0.347	S	S	*	.			trans	57.2	13.2	-176.5	-56.7	-174	175	130.3	-1.1	115.7	C51	C51-R55 WeakPolarHBondContact O-CA 3.37Å; C51-R55 PolarHBondContact O-N 2.88Å
56	N	90.2	Very high	86.7	Confident	31 Å²	31	63 Å²	63	17%	0.166	33%	0.331	C	S	.	.	S	Bend	trans	-90.6	156.7	172.5	-134.9	45.7	0	0	0	110.1	N50 C51 C54 E60 L61	N50-N56 WeakPolarHBondContact CA-O 3.09Å; C51-N56 PolarHBondContact N-O 3.03Å; C54-N56 PolarHBondContact O-N 3.28Å; N56-E60 PolarHBondContact ND2-OE2 3.28Å; N56-L61 PolarHBondContact ND2-O 3.15Å
57	H	89.8	Confident	87.3	Confident	70 Å²	70	65.7 Å²	65.7	32%	0.324	36%	0.357	S	S	.	.	B	Isolated β-bridge	trans	-63.1	138.2	179.9	-169.1	-102.4	0	0	0	110.6	M59 E60 H89	H57-M59 WeakPolarHBondContact ND1-CB 3.46Å; H57-M59 PolarHBondContact ND1-N 3.3Å; H57-M59 PolarHBondContact O-N 3.4Å; H57-E60 HydrophobicContact CB-CB 4.31Å; H57-E60 HydrophobicContact CB-CG 4.04Å; H57-E60 WeakPolarHBondContact O-CB 3.16Å; H57-E60 PolarHBondContact O-N 2.84Å; H57-H89 PolarHBondContact O-CE1 3.01Å; H57-H89 VanDerWaalsContact O-CE1 3.29Å; H57-H89 PolarHBondContact O-NE2 2.95Å
58	I	88	Confident	87.9	Confident	5 Å²	5	62.1 Å²	62.1	3%	0.026	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-25.1	-175.1	-81.9	166.9	0	0	0	113	I46 D49 C51 V79 A87 H89	I46-I58 HydrophobicContact CD1-CD1 3.71Å; D49-I58 WeakPolarHBondContact O-CB 3.41Å; D49-I58 PolarHBondContact O-N 3.21Å; C51-I58 HydrophobicContact CB-CG1 4.25Å; I58-V79 HydrophobicContact CG2-CB 4.37Å; I58-V79 HydrophobicContact CG2-CG1 3.73Å; I58-V79 HydrophobicContact CG2-CG2 3.65Å; I58-V79 VanDerWaalsContact O-CG2 3.3Å; I58-V79 WeakPolarHBondContact O-CG2 3.5Å; I58-A87 HydrophobicContact CD1-CB 3.84Å; I58-A87 WeakPolarHBondContact CD1-O 3.48Å; I58-H89 WeakPolarHBondContact CA-NE2 3.26Å; I58-H89 PolarHBondContact O-NE2 3.29Å
59	M	84.1	Confident	87.9	Confident	125 Å²	125	64.5 Å²	64.5	62%	0.616	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-11	176.4	-58.2	-72.2	-69.4	0	0	113.2	H57	H57-M59 WeakPolarHBondContact ND1-CB 3.46Å; H57-M59 PolarHBondContact ND1-N 3.3Å; H57-M59 PolarHBondContact O-N 3.4Å
60	E	87.2	Confident	87.5	Confident	105 Å²	105	65.7 Å²	65.7	49%	0.491	35%	0.35	S	S	.	.	S	Bend	trans	-94.9	175.4	177.8	-70.6	-174.5	-178.2	0	0	111.2	N56 H57 H89	N56-E60 PolarHBondContact ND2-OE2 3.28Å; H57-E60 HydrophobicContact CB-CB 4.31Å; H57-E60 HydrophobicContact CB-CG 4.04Å; H57-E60 WeakPolarHBondContact O-CB 3.16Å; H57-E60 PolarHBondContact O-N 2.84Å; E60-H89 PolarHBondContact O-NE2 3.48Å
61	L	88.2	Confident	86.5	Confident	49 Å²	49	66.1 Å²	66.1	26%	0.257	36%	0.355	S	S	.	.			trans	-67.2	143.5	170.5	-63.7	170	0	0	0	110.1	N56 C65 Q66 Q69 T74 C77	N56-L61 PolarHBondContact ND2-O 3.15Å; L61-C65 HydrophobicContact CB-CB 4.05Å; L61-C65 HydrophobicContact CD2-CB 4.08Å; L61-C65 HydrophobicContact CG-CB 4.48Å; L61-Q66 HydrophobicContact CB-CB 4.3Å; L61-Q69 HydrophobicContact CD1-CG 4.05Å; L61-T74 HydrophobicContact CD1-CG2 3.85Å; L61-T74 WeakPolarHBondContact CD2-O 3.36Å; L61-C77 HydrophobicContact CD2-CB 4.17Å
62	C	91.7	Very high	85.1	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	38%	0.38	C	S	.	.			trans	-57.8	153.6	163.6	44.9	0	0	0	0	111.3	E64 C65 Q66 C77 H89 H91	C62-E64 PolarHBondContact O-N 3.34Å; C62-C65 PolarHBondContact O-N 2.78Å; C62-C65 PolarHBondContact SG-SG 2.9Å; C62-Q66 WeakPolarHBondContact O-CB 3.49Å; C62-Q66 PolarHBondContact O-N 3.01Å; C62-C77 WeakPolarHBondContact CB-SG 3.43Å; C62-C77 PolarHBondContact N-SG 2.8Å; C62-C77 WeakPolarHBondContact SG-CB 3.43Å; C62-C77 CovalentContact SG-SG 2.07Å; C62-C77 PolarHBondContact SG-SG 3.29Å; C62-H89 HydrophobicContact CB-CB 3.94Å; C62-H91 PolarHBondContact SG-ND1 2.96Å
63	I	89.4	Confident	83.8	Confident	92 Å²	92	73.6 Å²	73.6	47%	0.472	40%	0.397	S	S	.	.	H	α-helix	trans	-49.1	-37.4	-176.9	-70.2	177.3	0	0	0	112.7	C54 Q66 A67	C54-I63 HydrophobicContact CB-CB 4.47Å; C54-I63 HydrophobicContact CB-CD1 4.02Å; C54-I63 HydrophobicContact CB-CG1 4.02Å; C54-I63 WeakPolarHBondContact O-CD1 3.25Å; I63-Q66 PolarHBondContact O-N 2.97Å; I63-A67 WeakPolarHBondContact O-CB 3.43Å; I63-A67 PolarHBondContact O-N 2.96Å
64	E	87.3	Confident	82.5	Confident	68 Å²	68	72.6 Å²	72.6	32%	0.318	39%	0.391	S	S	.	.	H	α-helix	trans	-70.6	-45.9	-179.6	-67.7	163.6	-138.4	0	0	112.9	C62 Q66 A67 A68 R95	C62-E64 PolarHBondContact O-N 3.34Å; E64-Q66 VanDerWaalsContact C-N 3.27Å; E64-Q66 PolarHBondContact O-N 3.3Å; E64-A67 PolarHBondContact O-N 2.83Å; E64-A68 VanDerWaalsContact O-CB 3.23Å; E64-A68 WeakPolarHBondContact O-CB 3.47Å; E64-A68 PolarHBondContact O-N 3.38Å; E64-R95 VanDerWaalsContact CD-NH1 3.26Å; E64-R95 IonicContact OE1-CZ 3.95Å; E64-R95 IonicContact OE1-NE 3.77Å; E64-R95 PolarHBondContact OE1-NE 2.87Å; E64-R95 IonicContact OE1-NH1 2.6Å; E64-R95 PolarHBondContact OE1-NH1 2.98Å; E64-R95 IonicContact OE1-NH2 3.22Å; E64-R95 PolarHBondContact OE1-NH2 3.34Å; E64-R95 VanDerWaalsContact OE1-NH2 3.11Å; E64-R95 IonicContact OE2-CZ 3.8Å; E64-R95 IonicContact OE2-NE 3.87Å; E64-R95 IonicContact OE2-NH1 2.77Å; E64-R95 IonicContact OE2-NH2 3.34Å; E64-R95 PolarHBondContact OE2-NH2 2.6Å
65	C	88.9	Confident	81.2	Confident	8 Å²	8	80.2 Å²	80.2	5%	0.054	43%	0.425	C	S	.	.	H	α-helix	trans	-69.3	-31.4	175.7	-69.3	0	0	0	0	111	L61 C62 A68 Q69 T74 C77 H91	L61-C65 HydrophobicContact CB-CB 4.05Å; L61-C65 HydrophobicContact CD2-CB 4.08Å; L61-C65 HydrophobicContact CG-CB 4.48Å; C62-C65 PolarHBondContact O-N 2.78Å; C62-C65 PolarHBondContact SG-SG 2.9Å; C65-A68 CarbonylContact O-C 3.47Å; C65-A68 PolarHBondContact O-N 3.01Å; C65-Q69 PolarHBondContact O-N 2.9Å; C65-Q69 VanDerWaalsContact O-N 3.16Å; C65-T74 WeakPolarHBondContact O-CG2 3.36Å; C65-C77 HydrophobicContact CB-CB 4.05Å; C65-H91 PolarHBondContact SG-CE1 3.11Å; C65-H91 PolarHBondContact SG-ND1 3.02Å
66	Q	87.9	Confident	80.4	Confident	86 Å²	86	76.5 Å²	76.5	40%	0.402	42%	0.417	S	S	.	.	H	α-helix	trans	-64.4	-41.6	173.2	-165	-177.7	10.2	0	0	111.4	L61 C62 I63 E64 Q69	L61-Q66 HydrophobicContact CB-CB 4.3Å; C62-Q66 WeakPolarHBondContact O-CB 3.49Å; C62-Q66 PolarHBondContact O-N 3.01Å; I63-Q66 PolarHBondContact O-N 2.97Å; E64-Q66 VanDerWaalsContact C-N 3.27Å; E64-Q66 PolarHBondContact O-N 3.3Å; Q66-Q69 VanDerWaalsContact CG-NE2 3.34Å; Q66-Q69 VanDerWaalsContact O-CG 3.24Å; Q66-Q69 WeakPolarHBondContact O-CG 3.49Å; Q66-Q69 PolarHBondContact O-NE2 2.86Å
67	A	86.5	Confident	80.1	Confident	83 Å²	83	75.9 Å²	75.9	69%	0.686	42%	0.415	S	S	*	.	H	α-helix	trans	-70.4	-32.7	174.3	0	0	0	0	0	112.5	I63 E64 Q69	I63-A67 WeakPolarHBondContact O-CB 3.43Å; I63-A67 PolarHBondContact O-N 2.96Å; E64-A67 PolarHBondContact O-N 2.83Å; A67-Q69 VanDerWaalsContact C-N 3.32Å; A67-Q69 PolarHBondContact O-N 3.49Å
68	A	83	Confident	80	Confident	26 Å²	26	74.4 Å²	74.4	22%	0.215	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	16.8	-179.1	0	0	0	0	0	114	E64 C65 S70 T71	E64-A68 VanDerWaalsContact O-CB 3.23Å; E64-A68 WeakPolarHBondContact O-CB 3.47Å; E64-A68 PolarHBondContact O-N 3.38Å; C65-A68 CarbonylContact O-C 3.47Å; C65-A68 PolarHBondContact O-N 3.01Å; A68-S70 PolarHBondContact O-N 2.83Å; A68-T71 PolarHBondContact O-N 2.91Å; A68-T71 PolarHBondContact O-OG1 3.16Å
69	Q	75.3	Confident	80.1	Confident	116 Å²	116	75.6 Å²	75.6	54%	0.542	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-54.7	-26.7	179.6	-77.6	177.4	41.9	0	0	113.5	L61 C65 Q66 A67 T71 T74	L61-Q69 HydrophobicContact CD1-CG 4.05Å; C65-Q69 PolarHBondContact O-N 2.9Å; C65-Q69 VanDerWaalsContact O-N 3.16Å; Q66-Q69 VanDerWaalsContact CG-NE2 3.34Å; Q66-Q69 VanDerWaalsContact O-CG 3.24Å; Q66-Q69 WeakPolarHBondContact O-CG 3.49Å; Q66-Q69 PolarHBondContact O-NE2 2.86Å; A67-Q69 VanDerWaalsContact C-N 3.32Å; A67-Q69 PolarHBondContact O-N 3.49Å; Q69-T71 VanDerWaalsContact C-N 3.32Å; Q69-T71 PolarHBondContact O-N 3.06Å; Q69-T74 HydrophobicContact CB-CG2 4.36Å; Q69-T74 HydrophobicContact CG-CG2 3.96Å
70	S	72.9	Confident	80.4	Confident	113 Å²	113	69.7 Å²	69.7	79%	0.79	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-73.7	-17.7	177.1	59.4	0	0	0	0	114.6	A68	A68-S70 PolarHBondContact O-N 2.83Å
71	T	69	Low	80.5	Confident	89 Å²	89	66.4 Å²	66.4	55%	0.546	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-103	1.4	-171.4	65.2	0	0	0	0	114.1	A68 Q69 Q73	A68-T71 PolarHBondContact O-N 2.91Å; A68-T71 PolarHBondContact O-OG1 3.16Å; Q69-T71 VanDerWaalsContact C-N 3.32Å; Q69-T71 PolarHBondContact O-N 3.06Å; T71-Q73 PolarHBondContact O-N 3.27Å
72	G	63.4	Low	80.6	Confident	51 Å²	51	64.1 Å²	64.1	53%	0.526	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	71	6.3	176.3	0	0	0	0	0	115.2	T74	G72-T74 PolarHBondContact O-N 2.96Å
73	Q	63	Low	80.5	Confident	145 Å²	145	67.4 Å²	67.4	68%	0.678	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-85.2	18	174.8	-66	-167.2	-31	0	0	113.2	T71 E75	T71-Q73 PolarHBondContact O-N 3.27Å; Q73-E75 VanDerWaalsContact C-N 3.34Å
74	T	64.1	Low	80.6	Confident	31 Å²	31	64 Å²	64	19%	0.19	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-76.4	-21.5	-179.2	46.7	0	0	0	0	113.5	L61 C65 Q69 G72 E76	L61-T74 HydrophobicContact CD1-CG2 3.85Å; L61-T74 WeakPolarHBondContact CD2-O 3.36Å; C65-T74 WeakPolarHBondContact O-CG2 3.36Å; Q69-T74 HydrophobicContact CB-CG2 4.36Å; Q69-T74 HydrophobicContact CG-CG2 3.96Å; G72-T74 PolarHBondContact O-N 2.96Å; T74-E76 PolarHBondContact O-N 3.02Å; T74-E76 VanDerWaalsContact O-N 3.08Å
75	E	64.4	Low	80.6	Confident	176 Å²	176	64.6 Å²	64.6	82%	0.822	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-64	-15.4	-173.2	-55.8	-81.2	138.2	0	0	113.4	Q73	Q73-E75 VanDerWaalsContact C-N 3.34Å
76	E	73.7	Confident	80.6	Confident	137 Å²	137	66.2 Å²	66.2	64%	0.64	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-110.2	0.8	-168	-131.9	167.3	-164.1	0	0	114.5	T74 T78	T74-E76 PolarHBondContact O-N 3.02Å; T74-E76 VanDerWaalsContact O-N 3.08Å; E76-T78 PolarHBondContact O-N 3.28Å
77	C	84.2	Confident	80.7	Confident	19 Å²	19	62.4 Å²	62.4	13%	0.128	36%	0.36	C	S	.	.			trans	-79.3	75.6	176.4	-150.9	0	0	0	0	110.8	L61 C62 C65 H91	L61-C77 HydrophobicContact CD2-CB 4.17Å; C62-C77 WeakPolarHBondContact CB-SG 3.43Å; C62-C77 PolarHBondContact N-SG 2.8Å; C62-C77 WeakPolarHBondContact SG-CB 3.43Å; C62-C77 CovalentContact SG-SG 2.07Å; C62-C77 PolarHBondContact SG-SG 3.29Å; C65-C77 HydrophobicContact CB-CB 4.05Å; C77-H91 PolarHBondContact SG-ND1 3.37Å
78	T	87.9	Confident	80.9	Confident	38 Å²	38	58.5 Å²	58.5	23%	0.233	33%	0.328	C	S	.	.			trans	-86.5	165.2	177.8	65.2	0	0	0	0	111.7	E76 F90 G116	E76-T78 PolarHBondContact O-N 3.28Å; T78-F90 WeakPolarHBondContact O-CB 3.43Å; T78-F90 PolarHBondContact O-N 3.04Å; T78-G116 WeakPolarHBondContact CB-O 3.36Å; T78-G116 VanDerWaalsContact CG2-O 3.3Å; T78-G116 WeakPolarHBondContact CG2-O 3.44Å; T78-G116 PolarHBondContact OG1-O 2.78Å
79	V	89.3	Confident	81.3	Confident	31 Å²	31	57.2 Å²	57.2	19%	0.188	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	134	176.4	-173.6	0	0	0	0	109.8	I58 A87 G116	I58-V79 HydrophobicContact CG2-CB 4.37Å; I58-V79 HydrophobicContact CG2-CG1 3.73Å; I58-V79 HydrophobicContact CG2-CG2 3.65Å; I58-V79 VanDerWaalsContact O-CG2 3.3Å; I58-V79 WeakPolarHBondContact O-CG2 3.5Å; V79-A87 HydrophobicContact CG1-CB 4.1Å; V79-G116 PolarHBondContact O-N 3.04Å
80	A	90.5	Very high	82.1	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	135.7	175.6	0	0	0	0	0	110.6	A87 F88 F90 I93 F112	A80-A87 WeakPolarHBondContact O-CA 3.3Å; A80-F88 PolarHBondContact N-O 3.23Å; A80-F88 PolarHBondContact O-N 2.71Å; A80-F90 HydrophobicContact CB-CB 4.44Å; A80-F90 HydrophobicContact CB-CD2 4.26Å; A80-I93 HydrophobicContact CB-CG2 4.01Å; A80-F112 HydrophobicContact CB-CD1 4.29Å; A80-F112 HydrophobicContact CB-CE1 4.09Å
81	W	89.8	Confident	82.9	Confident	37 Å²	37	51.5 Å²	51.5	14%	0.14	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	128.9	-177.8	-65.4	79.4	0	0	0	109.9	W44 I46 A87 Q113 K114	W44-W81 HydrophobicContact CB-CH2 3.86Å; W44-W81 HydrophobicContact CB-CZ2 4.31Å; W44-W81 AromaticContact CD2-CH2 3.75Å; W44-W81 HydrophobicContact CD2-CH2 3.75Å; W44-W81 AromaticContact CD2-CZ2 3.43Å; W44-W81 HydrophobicContact CD2-CZ2 3.43Å; W44-W81 VanDerWaalsContact CD2-CZ2 3.43Å; W44-W81 AromaticContact CE3-CH2 3.48Å; W44-W81 HydrophobicContact CE3-CH2 3.48Å; W44-W81 VanDerWaalsContact CE3-CH2 3.48Å; W44-W81 AromaticContact CE3-CZ2 3.3Å; W44-W81 HydrophobicContact CE3-CZ2 3.3Å; W44-W81 AromaticContact CG-CH2 3.92Å; W44-W81 HydrophobicContact CG-CH2 3.92Å; W44-W81 AromaticContact CG-CZ2 3.86Å; W44-W81 HydrophobicContact CG-CZ2 3.86Å; W44-W81 HydrophobicContact CH2-CZ2 4.37Å; W44-W81 HydrophobicContact CZ2-CZ2 4.47Å; W44-W81 HydrophobicContact CZ3-CH2 4.28Å; W44-W81 AromaticContact CZ3-CZ2 3.81Å; W44-W81 HydrophobicContact CZ3-CZ2 3.81Å; I46-W81 HydrophobicContact CG2-CE3 4.38Å; I46-W81 HydrophobicContact CG2-CH2 3.31Å; I46-W81 HydrophobicContact CG2-CZ2 4.44Å; I46-W81 HydrophobicContact CG2-CZ3 3.25Å; W81-A87 HydrophobicContact CD2-CB 3.97Å; W81-A87 HydrophobicContact CE3-CB 3.96Å; W81-A87 HydrophobicContact CH2-CB 4.04Å; W81-A87 HydrophobicContact CZ2-CB 4Å; W81-A87 HydrophobicContact CZ3-CB 4.01Å; W81-Q113 PolarHBondContact O-N 3.33Å; W81-K114 WeakPolarHBondContact CB-O 3.23Å; W81-K114 PolarHBondContact N-O 3.47Å; W81-K114 PolarHBondContact O-N 3.29Å
82	G	90.4	Very high	84	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	158.2	172.2	0	0	0	0	0	111.6	C84 N85 H86 E111	G82-C84 PolarHBondContact O-N 3.29Å; G82-C84 VanDerWaalsContact O-N 3.15Å; G82-N85 WeakPolarHBondContact O-CA 3.25Å; G82-N85 PolarHBondContact O-N 3.17Å; G82-H86 PolarHBondContact N-O 2.84Å; G82-E111 CarbonylContact C-O 3.56Å; G82-E111 VanDerWaalsContact CA-O 3.26Å; G82-E111 WeakPolarHBondContact CA-O 3.24Å
83	V	90.8	Very high	85.4	Confident	69 Å²	69	45 Å²	45	42%	0.418	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-20.3	169	-62.6	0	0	0	0	113.1	N85 E111 Q113	V83-N85 PolarHBondContact O-N 2.94Å; V83-E111 HydrophobicContact CG1-CB 4.07Å; V83-E111 HydrophobicContact CG1-CG 4.24Å; V83-E111 HydrophobicContact CG2-CB 3.8Å; V83-E111 PolarHBondContact N-O 2.98Å; V83-Q113 HydrophobicContact CG1-CB 3.96Å
84	C	90.1	Very high	86.7	Confident	22 Å²	22	39.6 Å²	39.6	15%	0.149	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	2.8	170.5	53.2	0	0	0	0	114	G82 H86 C103 D106	G82-C84 PolarHBondContact O-N 3.29Å; G82-C84 VanDerWaalsContact O-N 3.15Å; C84-H86 PolarHBondContact O-N 3.23Å; C84-C103 VanDerWaalsContact SG-SG 3.7Å; C84-D106 WeakPolarHBondContact CB-OD2 3.35Å
85	N	86.8	Confident	88.1	Confident	80 Å²	80	44.9 Å²	44.9	43%	0.428	22%	0.222	S	C	.	.	S	Bend	trans	60.2	24.4	-175.6	-147.4	25.9	0	0	0	114.1	G82 V83	G82-N85 WeakPolarHBondContact O-CA 3.25Å; G82-N85 PolarHBondContact O-N 3.17Å; V83-N85 PolarHBondContact O-N 2.94Å
86	H	89	Confident	89.4	Confident	41 Å²	41	40.1 Å²	40.1	19%	0.19	20%	0.197	C	C	.	.			trans	-96.4	138.3	170.2	-67.3	121.1	0	0	0	110.7	G82 C84 F88 C103 L105 D106 W110	G82-H86 PolarHBondContact N-O 2.84Å; C84-H86 PolarHBondContact O-N 3.23Å; H86-F88 HydrophobicContact CB-CE2 3.88Å; H86-F88 HydrophobicContact CB-CZ 3.92Å; H86-C103 PolarHBondContact ND1-SG 3.05Å; H86-C103 VanDerWaalsContact ND1-SG 3.43Å; H86-L105 HydrophobicContact CB-CD1 4.12Å; H86-L105 WeakPolarHBondContact CD2-CD1 3.49Å; H86-D106 IonicContact CE1-OD2 3.69Å; H86-D106 IonicContact ND1-OD2 2.7Å; H86-W110 HydrophobicContact CB-CZ3 4.47Å
87	A	90.2	Very high	90.3	Very high	7 Å²	7	34.4 Å²	34.4	6%	0.058	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	137.2	-179.4	0	0	0	0	0	111.1	I46 I58 V79 A80 W81	I46-A87 HydrophobicContact CG2-CB 4.08Å; I58-A87 HydrophobicContact CD1-CB 3.84Å; I58-A87 WeakPolarHBondContact CD1-O 3.48Å; V79-A87 HydrophobicContact CG1-CB 4.1Å; A80-A87 WeakPolarHBondContact O-CA 3.3Å; W81-A87 HydrophobicContact CD2-CB 3.97Å; W81-A87 HydrophobicContact CE3-CB 3.96Å; W81-A87 HydrophobicContact CH2-CB 4.04Å; W81-A87 HydrophobicContact CZ2-CB 4Å; W81-A87 HydrophobicContact CZ3-CB 4.01Å
88	F	92	Very high	90.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	161.8	176.6	-56	-65.7	0	0	0	110.1	A52 V53 A80 H86 I93 P104 L105 W110	A52-F88 HydrophobicContact CB-CD1 4.48Å; A52-F88 HydrophobicContact CB-CE1 3.76Å; V53-F88 HydrophobicContact CG2-CD1 4.4Å; A80-F88 PolarHBondContact N-O 3.23Å; A80-F88 PolarHBondContact O-N 2.71Å; H86-F88 HydrophobicContact CB-CE2 3.88Å; H86-F88 HydrophobicContact CB-CZ 3.92Å; F88-I93 HydrophobicContact CB-CB 3.96Å; F88-I93 HydrophobicContact CB-CG2 4.48Å; F88-I93 HydrophobicContact CD2-CB 4.27Å; F88-I93 HydrophobicContact CD2-CD1 3.74Å; F88-I93 HydrophobicContact CD2-CG1 4.07Å; F88-I93 HydrophobicContact CE2-CD1 4.11Å; F88-I93 HydrophobicContact CG-CB 4.44Å; F88-I93 HydrophobicContact CG-CD1 4.45Å; F88-P104 HydrophobicContact CE1-CG 4.39Å; F88-P104 HydrophobicContact CE2-CG 4.32Å; F88-P104 HydrophobicContact CZ-CB 4.36Å; F88-P104 HydrophobicContact CZ-CG 4.01Å; F88-L105 HydrophobicContact CE1-CD1 3.9Å; F88-L105 HydrophobicContact CE1-CG 4.25Å; F88-L105 HydrophobicContact CZ-CD1 3.78Å; F88-L105 HydrophobicContact CZ-CG 4.02Å; F88-W110 AromaticContact CD2-CH2 3.47Å; F88-W110 HydrophobicContact CD2-CH2 3.47Å; F88-W110 VanDerWaalsContact CD2-CH2 3.47Å; F88-W110 HydrophobicContact CD2-CZ2 4.34Å; F88-W110 AromaticContact CD2-CZ3 3.61Å; F88-W110 HydrophobicContact CD2-CZ3 3.61Å; F88-W110 HydrophobicContact CE2-CE3 4.17Å; F88-W110 AromaticContact CE2-CH2 3.77Å; F88-W110 HydrophobicContact CE2-CH2 3.77Å; F88-W110 AromaticContact CE2-CZ3 3.37Å; F88-W110 HydrophobicContact CE2-CZ3 3.37Å
89	H	91.5	Very high	90.9	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	139.3	164.8	-61.8	123.1	0	0	0	110.4	C51 C54 H57 I58 E60 C62 H91 C92 I93	C51-H89 WeakPolarHBondContact CB-ND1 2.91Å; C54-H89 PolarHBondContact SG-ND1 2.8Å; H57-H89 PolarHBondContact O-CE1 3.01Å; H57-H89 VanDerWaalsContact O-CE1 3.29Å; H57-H89 PolarHBondContact O-NE2 2.95Å; I58-H89 WeakPolarHBondContact CA-NE2 3.26Å; I58-H89 PolarHBondContact O-NE2 3.29Å; E60-H89 PolarHBondContact O-NE2 3.48Å; C62-H89 HydrophobicContact CB-CB 3.94Å; H89-H91 VanDerWaalsContact C-N 3.29Å; H89-H91 PolarHBondContact O-N 3.33Å; H89-C92 HydrophobicContact CB-CB 4.05Å; H89-C92 WeakPolarHBondContact O-CB 3.47Å; H89-C92 PolarHBondContact O-N 3.07Å; H89-I93 PolarHBondContact O-N 3.48Å
90	F	91.1	Very high	91	Very high	63 Å²	63	51.3 Å²	51.3	28%	0.276	24%	0.241	S	C	.	.	H	α-helix	trans	-55.3	-43.4	-179.3	-179.8	-105.5	0	0	0	111.9	T78 A80 C92 I93 S94 Y115	T78-F90 WeakPolarHBondContact O-CB 3.43Å; T78-F90 PolarHBondContact O-N 3.04Å; A80-F90 HydrophobicContact CB-CB 4.44Å; A80-F90 HydrophobicContact CB-CD2 4.26Å; F90-C92 PolarHBondContact O-N 2.07Å; F90-I93 WeakPolarHBondContact O-CG2 3.3Å; F90-S94 WeakPolarHBondContact O-CB 3.22Å; F90-S94 PolarHBondContact O-N 2.72Å; F90-S94 PolarHBondContact O-OG 2.9Å; F90-Y115 HydrophobicContact CE2-CD2 4.5Å
91	H	90.4	Very high	91	Very high	45 Å²	45	57.6 Å²	57.6	21%	0.208	27%	0.27	C	S	.	.	H	α-helix	trans	-64.1	-40.4	176.4	-64.6	149.5	0	0	0	113.1	C62 C65 C77 H89 R95	C62-H91 PolarHBondContact SG-ND1 2.96Å; C65-H91 PolarHBondContact SG-CE1 3.11Å; C65-H91 PolarHBondContact SG-ND1 3.02Å; C77-H91 PolarHBondContact SG-ND1 3.37Å; H89-H91 VanDerWaalsContact C-N 3.29Å; H89-H91 PolarHBondContact O-N 3.33Å; H91-R95 VanDerWaalsContact O-CB 3.3Å; H91-R95 WeakPolarHBondContact O-CB 2.98Å; H91-R95 PolarHBondContact O-N 3.33Å
92	C	92.4	Very high	91.3	Very high	3 Å²	3	57.2 Å²	57.2	2%	0.02	27%	0.272	C	S	.	.	H	α-helix	trans	-68.7	-47	-177.8	-62.3	0	0	0	0	111.5	V53 C54 H89 F90 W96	V53-C92 HydrophobicContact CB-CB 3.83Å; V53-C92 HydrophobicContact CG1-CB 3.83Å; V53-C92 HydrophobicContact CG2-CB 4.46Å; C54-C92 VanDerWaalsContact CB-SG 3.58Å; H89-C92 HydrophobicContact CB-CB 4.05Å; H89-C92 WeakPolarHBondContact O-CB 3.47Å; H89-C92 PolarHBondContact O-N 3.07Å; F90-C92 PolarHBondContact O-N 2.07Å; C92-W96 WeakPolarHBondContact O-CB 3.45Å; C92-W96 PolarHBondContact O-N 3.11Å; C92-W96 VanDerWaalsContact O-N 3.07Å
93	I	92.3	Very high	91.4	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-70.6	-40.8	178.1	-166	59.4	0	0	0	111.5	A80 F88 H89 F90 R95 W96 L97 P104 W110 F112	A80-I93 HydrophobicContact CB-CG2 4.01Å; F88-I93 HydrophobicContact CB-CB 3.96Å; F88-I93 HydrophobicContact CB-CG2 4.48Å; F88-I93 HydrophobicContact CD2-CB 4.27Å; F88-I93 HydrophobicContact CD2-CD1 3.74Å; F88-I93 HydrophobicContact CD2-CG1 4.07Å; F88-I93 HydrophobicContact CE2-CD1 4.11Å; F88-I93 HydrophobicContact CG-CB 4.44Å; F88-I93 HydrophobicContact CG-CD1 4.45Å; H89-I93 PolarHBondContact O-N 3.48Å; F90-I93 WeakPolarHBondContact O-CG2 3.3Å; I93-R95 VanDerWaalsContact C-N 3.26Å; I93-R95 PolarHBondContact O-N 3.5Å; I93-W96 HydrophobicContact CD1-CB 4.42Å; I93-W96 WeakPolarHBondContact O-CB 3.3Å; I93-W96 PolarHBondContact O-N 2.99Å; I93-L97 HydrophobicContact CD1-CG 4.37Å; I93-L97 HydrophobicContact CG1-CD1 4.1Å; I93-L97 HydrophobicContact CG1-CG 4.21Å; I93-L97 VanDerWaalsContact O-CG 3.25Å; I93-L97 WeakPolarHBondContact O-CG 3.34Å; I93-L97 PolarHBondContact O-N 2.98Å; I93-P104 HydrophobicContact CD1-CG 4.35Å; I93-W110 HydrophobicContact CD1-CD2 3.98Å; I93-W110 HydrophobicContact CD1-CE3 4.15Å; I93-W110 HydrophobicContact CD1-CH2 4.44Å; I93-W110 HydrophobicContact CD1-CZ2 4.3Å; I93-W110 HydrophobicContact CD1-CZ3 4.39Å; I93-W110 HydrophobicContact CG1-CD2 3.97Å; I93-W110 HydrophobicContact CG1-CE3 4.45Å; I93-W110 HydrophobicContact CG1-CH2 4.14Å; I93-W110 HydrophobicContact CG1-CZ2 3.62Å; I93-W110 HydrophobicContact CG2-CZ2 4.46Å; I93-F112 HydrophobicContact CG2-CE1 4.05Å; I93-F112 HydrophobicContact CG2-CZ 4.43Å
94	S	90.9	Very high	91.3	Very high	33 Å²	33	55.9 Å²	55.9	23%	0.231	27%	0.265	C	S	.	.	H	α-helix	trans	-60.8	-36.3	177.4	-63.6	0	0	0	0	112.2	F90	F90-S94 WeakPolarHBondContact O-CB 3.22Å; F90-S94 PolarHBondContact O-N 2.72Å; F90-S94 PolarHBondContact O-OG 2.9Å
95	R	91.7	Very high	91.3	Very high	141 Å²	141	58.7 Å²	58.7	53%	0.532	28%	0.278	S	S	.	.	H	α-helix	trans	-67.7	-44.7	172.6	178.5	175.1	-64.8	-166.8	-6.7	112.1	E64 H91 I93 L97 K98	E64-R95 VanDerWaalsContact CD-NH1 3.26Å; E64-R95 IonicContact OE1-CZ 3.95Å; E64-R95 IonicContact OE1-NE 3.77Å; E64-R95 PolarHBondContact OE1-NE 2.87Å; E64-R95 IonicContact OE1-NH1 2.6Å; E64-R95 PolarHBondContact OE1-NH1 2.98Å; E64-R95 IonicContact OE1-NH2 3.22Å; E64-R95 PolarHBondContact OE1-NH2 3.34Å; E64-R95 VanDerWaalsContact OE1-NH2 3.11Å; E64-R95 IonicContact OE2-CZ 3.8Å; E64-R95 IonicContact OE2-NE 3.87Å; E64-R95 IonicContact OE2-NH1 2.77Å; E64-R95 IonicContact OE2-NH2 3.34Å; E64-R95 PolarHBondContact OE2-NH2 2.6Å; H91-R95 VanDerWaalsContact O-CB 3.3Å; H91-R95 WeakPolarHBondContact O-CB 2.98Å; H91-R95 PolarHBondContact O-N 3.33Å; I93-R95 VanDerWaalsContact C-N 3.26Å; I93-R95 PolarHBondContact O-N 3.5Å; R95-L97 VanDerWaalsContact C-N 3.35Å; R95-L97 PolarHBondContact O-N 3.45Å; R95-K98 WeakPolarHBondContact O-CB 3.5Å; R95-K98 PolarHBondContact O-N 2.83Å
96	W	92.4	Very high	91.4	Very high	76 Å²	76	56.9 Å²	56.9	29%	0.288	27%	0.268	S	S	.	.	H	α-helix	trans	-59.5	-46	179.4	-177.7	-94.1	0	0	0	111.8	C92 I93 K98 T99 R100 V102 P104	C92-W96 WeakPolarHBondContact O-CB 3.45Å; C92-W96 PolarHBondContact O-N 3.11Å; C92-W96 VanDerWaalsContact O-N 3.07Å; I93-W96 HydrophobicContact CD1-CB 4.42Å; I93-W96 WeakPolarHBondContact O-CB 3.3Å; I93-W96 PolarHBondContact O-N 2.99Å; W96-K98 PolarHBondContact O-N 2.7Å; W96-K98 VanDerWaalsContact O-N 3.16Å; W96-T99 PolarHBondContact O-N 3.4Å; W96-T99 PolarHBondContact O-OG1 3.48Å; W96-R100 PolarHBondContact O-N 3.08Å; W96-V102 PolarHBondContact NE1-O 3.24Å; W96-P104 HydrophobicContact CD2-CG 4.07Å; W96-P104 HydrophobicContact CG-CG 4.12Å; W96-P104 HydrophobicContact CZ2-CB 4.33Å; W96-P104 HydrophobicContact CZ2-CG 4.39Å
97	L	92.5	Very high	91.5	Very high	17 Å²	17	60.5 Å²	60.5	9%	0.089	29%	0.289	C	S	.	.	H	α-helix	trans	-61.2	-25	-179	-66.5	172	0	0	0	114.1	I93 R95 T99 R100 H101 W110 F112	I93-L97 HydrophobicContact CD1-CG 4.37Å; I93-L97 HydrophobicContact CG1-CD1 4.1Å; I93-L97 HydrophobicContact CG1-CG 4.21Å; I93-L97 VanDerWaalsContact O-CG 3.25Å; I93-L97 WeakPolarHBondContact O-CG 3.34Å; I93-L97 PolarHBondContact O-N 2.98Å; R95-L97 VanDerWaalsContact C-N 3.35Å; R95-L97 PolarHBondContact O-N 3.45Å; L97-T99 PolarHBondContact O-N 3.49Å; L97-R100 WeakPolarHBondContact CA-O 3.09Å; L97-H101 PolarHBondContact O-CD2 2.95Å; L97-W110 HydrophobicContact CD1-CG 4.18Å; L97-W110 HydrophobicContact CD2-CB 3.54Å; L97-W110 HydrophobicContact CD2-CG 3.62Å; L97-W110 HydrophobicContact CG-CG 4.43Å; L97-F112 HydrophobicContact CD1-CE2 3.74Å; L97-F112 HydrophobicContact CD1-CZ 3.55Å
98	K	93.1	Very high	91.5	Very high	184 Å²	184	68.1 Å²	68.1	80%	0.8	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-25.3	172.2	-68.7	178	-177.6	-178.1	0	112.9	R95 W96	R95-K98 WeakPolarHBondContact O-CB 3.5Å; R95-K98 PolarHBondContact O-N 2.83Å; W96-K98 PolarHBondContact O-N 2.7Å; W96-K98 VanDerWaalsContact O-N 3.16Å
99	T	91.9	Very high	91.5	Very high	110 Å²	110	74.5 Å²	74.5	68%	0.675	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	-40.1	-179.7	60.4	0	0	0	0	112.8	W96 L97	W96-T99 PolarHBondContact O-N 3.4Å; W96-T99 PolarHBondContact O-OG1 3.48Å; L97-T99 PolarHBondContact O-N 3.49Å
100	R	91.5	Very high	91.5	Very high	150 Å²	150	75.2 Å²	75.2	57%	0.566	35%	0.353	S	S	*	.			trans	-142.4	123.7	-178.4	-61.7	-172.4	-178.4	-178.4	1.5	110	W96 L97 V102	W96-R100 PolarHBondContact O-N 3.08Å; L97-R100 WeakPolarHBondContact CA-O 3.09Å; R100-V102 HydrophobicContact CB-CG2 4.15Å; R100-V102 PolarHBondContact O-N 3.3Å
101	H	91.1	Very high	91.6	Very high	131 Å²	131	78.3 Å²	78.3	61%	0.606	37%	0.368	S	S	*	.	S	Bend	trans	-79.8	28.9	178.8	-110.6	-99.7	0	0	0	113.7	L97 W110	L97-H101 PolarHBondContact O-CD2 2.95Å; H101-W110 PolarHBondContact O-N 3.5Å
102	V	94.3	Very high	91.6	Very high	29 Å²	29	80 Å²	80	18%	0.176	38%	0.375	C	S	.	.	B	Isolated β-bridge	trans	-122.2	149	-179.4	-57.1	0	0	0	0	110.9	W96 R100 R108	W96-V102 PolarHBondContact NE1-O 3.24Å; R100-V102 HydrophobicContact CB-CG2 4.15Å; R100-V102 PolarHBondContact O-N 3.3Å; V102-R108 CarbonylContact C-O 3.47Å; V102-R108 WeakPolarHBondContact CA-O 3.43Å; V102-R108 WeakPolarHBondContact CB-O 3.44Å
103	C	92.5	Very high	91.3	Very high	1 Å²	1	86 Å²	86	1%	0.007	40%	0.403	C	S	.	.			trans	-63	133.1	173.9	175.3	0	0	0	0	111	C84 H86 L105 D106 N107 R108 W110	C84-C103 VanDerWaalsContact SG-SG 3.7Å; H86-C103 PolarHBondContact ND1-SG 3.05Å; H86-C103 VanDerWaalsContact ND1-SG 3.43Å; C103-L105 PolarHBondContact O-N 3.18Å; C103-D106 WeakPolarHBondContact CB-OD1 3.09Å; C103-D106 PolarHBondContact SG-OD1 2.89Å; C103-N107 VanDerWaalsContact O-CA 3.3Å; C103-N107 WeakPolarHBondContact O-CA 3.29Å; C103-N107 PolarHBondContact O-N 3.31Å; C103-R108 PolarHBondContact N-O 3Å; C103-W110 HydrophobicContact CB-CE3 3.87Å
104	P	89.9	Confident	90.6	Very high	41 Å²	41	93.5 Å²	93.5	27%	0.266	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-23	179.1	-22.5	30	0	0	0	115.6	V53 F88 I93 W96	V53-P104 HydrophobicContact CG2-CB 4.48Å; V53-P104 HydrophobicContact CG2-CG 3.79Å; F88-P104 HydrophobicContact CE1-CG 4.39Å; F88-P104 HydrophobicContact CE2-CG 4.32Å; F88-P104 HydrophobicContact CZ-CB 4.36Å; F88-P104 HydrophobicContact CZ-CG 4.01Å; I93-P104 HydrophobicContact CD1-CG 4.35Å; W96-P104 HydrophobicContact CD2-CG 4.07Å; W96-P104 HydrophobicContact CG-CG 4.12Å; W96-P104 HydrophobicContact CZ2-CB 4.33Å; W96-P104 HydrophobicContact CZ2-CG 4.39Å
105	L	88.8	Confident	90	Very high	80 Å²	80	98.9 Å²	98.9	42%	0.419	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-42.9	-172.3	-73.3	171.3	0	0	0	113.4	A52 H86 F88 C103	A52-L105 HydrophobicContact CB-CD1 4.37Å; A52-L105 HydrophobicContact CB-CD2 3.85Å; A52-L105 HydrophobicContact CB-CG 4.07Å; H86-L105 HydrophobicContact CB-CD1 4.12Å; H86-L105 WeakPolarHBondContact CD2-CD1 3.49Å; F88-L105 HydrophobicContact CE1-CD1 3.9Å; F88-L105 HydrophobicContact CE1-CG 4.25Å; F88-L105 HydrophobicContact CZ-CD1 3.78Å; F88-L105 HydrophobicContact CZ-CG 4.02Å; C103-L105 PolarHBondContact O-N 3.18Å
106	D	90.2	Very high	88.7	Confident	42 Å²	42	93.8 Å²	93.8	23%	0.225	44%	0.443	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115	-0.4	-176.5	64.6	-5.1	0	0	0	114.1	C84 H86 C103 R108	C84-D106 WeakPolarHBondContact CB-OD2 3.35Å; H86-D106 IonicContact CE1-OD2 3.69Å; H86-D106 IonicContact ND1-OD2 2.7Å; C103-D106 WeakPolarHBondContact CB-OD1 3.09Å; C103-D106 PolarHBondContact SG-OD1 2.89Å; D106-R108 HydrophobicContact CB-CG 4.37Å; D106-R108 PolarHBondContact O-N 3.16Å; D106-R108 PolarHBondContact OD1-N 3.46Å; D106-R108 WeakPolarHBondContact OD2-CD 3.49Å; D106-R108 IonicContact OD2-NE 3.87Å; D106-R108 IonicContact OD2-NH1 3.11Å
107	N	90.3	Very high	86.5	Confident	117 Å²	117	103.4 Å²	103.4	63%	0.626	49%	0.487	S	S	*	.			trans	55.4	22.7	177.8	-157.6	73.8	0	0	0	114	C103	C103-N107 VanDerWaalsContact O-CA 3.3Å; C103-N107 WeakPolarHBondContact O-CA 3.29Å; C103-N107 PolarHBondContact O-N 3.31Å
108	R	90.4	Very high	86.2	Confident	168 Å²	168	107.8 Å²	107.8	63%	0.634	51%	0.507	S	S	*	.	S	Bend	trans	-87.1	159.1	171.3	-63.7	-178.9	-174.8	161.4	-1.1	110.3	V102 C103 D106 W110	V102-R108 CarbonylContact C-O 3.47Å; V102-R108 WeakPolarHBondContact CA-O 3.43Å; V102-R108 WeakPolarHBondContact CB-O 3.44Å; C103-R108 PolarHBondContact N-O 3Å; D106-R108 HydrophobicContact CB-CG 4.37Å; D106-R108 PolarHBondContact O-N 3.16Å; D106-R108 PolarHBondContact OD1-N 3.46Å; D106-R108 WeakPolarHBondContact OD2-CD 3.49Å; D106-R108 IonicContact OD2-NE 3.87Å; D106-R108 IonicContact OD2-NH1 3.11Å; R108-W110 PolarHBondContact O-N 2.9Å
109	D	93	Very high	85.8	Confident	133 Å²	133	103.7 Å²	103.7	71%	0.711	49%	0.491	S	S	*	.	B	Isolated β-bridge	trans	-55.5	129.1	173.9	-67.2	-38.8	0	0	0	110.3
110	W	91.8	Very high	85.5	Confident	15 Å²	15	103.4 Å²	103.4	6%	0.057	48%	0.481	C	S	.	.	P	Polyproline II helix	trans	-84	123.8	-177.9	176.4	-88.4	0	0	0	110.6	H86 F88 I93 L97 H101 C103 R108 F112	H86-W110 HydrophobicContact CB-CZ3 4.47Å; F88-W110 AromaticContact CD2-CH2 3.47Å; F88-W110 HydrophobicContact CD2-CH2 3.47Å; F88-W110 VanDerWaalsContact CD2-CH2 3.47Å; F88-W110 HydrophobicContact CD2-CZ2 4.34Å; F88-W110 AromaticContact CD2-CZ3 3.61Å; F88-W110 HydrophobicContact CD2-CZ3 3.61Å; F88-W110 HydrophobicContact CE2-CE3 4.17Å; F88-W110 AromaticContact CE2-CH2 3.77Å; F88-W110 HydrophobicContact CE2-CH2 3.77Å; F88-W110 AromaticContact CE2-CZ3 3.37Å; F88-W110 HydrophobicContact CE2-CZ3 3.37Å; I93-W110 HydrophobicContact CD1-CD2 3.98Å; I93-W110 HydrophobicContact CD1-CE3 4.15Å; I93-W110 HydrophobicContact CD1-CH2 4.44Å; I93-W110 HydrophobicContact CD1-CZ2 4.3Å; I93-W110 HydrophobicContact CD1-CZ3 4.39Å; I93-W110 HydrophobicContact CG1-CD2 3.97Å; I93-W110 HydrophobicContact CG1-CE3 4.45Å; I93-W110 HydrophobicContact CG1-CH2 4.14Å; I93-W110 HydrophobicContact CG1-CZ2 3.62Å; I93-W110 HydrophobicContact CG2-CZ2 4.46Å; L97-W110 HydrophobicContact CD1-CG 4.18Å; L97-W110 HydrophobicContact CD2-CB 3.54Å; L97-W110 HydrophobicContact CD2-CG 3.62Å; L97-W110 HydrophobicContact CG-CG 4.43Å; H101-W110 PolarHBondContact O-N 3.5Å; C103-W110 HydrophobicContact CB-CE3 3.87Å; R108-W110 PolarHBondContact O-N 2.9Å; W110-F112 HydrophobicContact CZ2-CD1 4.14Å; W110-F112 HydrophobicContact CZ2-CE1 4.14Å; W110-F112 AromaticContact NE1-CD1 3.56Å; W110-F112 AromaticContact NE1-CD2 3.78Å; W110-F112 AromaticContact NE1-CE1 3.39Å; W110-F112 AromaticContact NE1-CE2 3.62Å; W110-F112 AromaticContact NE1-CG 3.76Å; W110-F112 AromaticContact NE1-CZ 3.42Å
111	E	92.4	Very high	85.1	Confident	129 Å²	129	100.6 Å²	100.6	60%	0.603	48%	0.476	S	S	*	.			trans	-130.2	133	172.3	-169.5	177.3	-172.7	0	0	109.5	G82 V83 Q113	G82-E111 CarbonylContact C-O 3.56Å; G82-E111 VanDerWaalsContact CA-O 3.26Å; G82-E111 WeakPolarHBondContact CA-O 3.24Å; V83-E111 HydrophobicContact CG1-CB 4.07Å; V83-E111 HydrophobicContact CG1-CG 4.24Å; V83-E111 HydrophobicContact CG2-CB 3.8Å; V83-E111 PolarHBondContact N-O 2.98Å; E111-Q113 PolarHBondContact O-N 3.21Å
112	F	89.8	Confident	84.8	Confident	79 Å²	79	98.8 Å²	98.8	35%	0.346	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	120.1	-179.5	-69.1	-81.5	0	0	0	110.3	A80 I93 L97 W110	A80-F112 HydrophobicContact CB-CD1 4.29Å; A80-F112 HydrophobicContact CB-CE1 4.09Å; I93-F112 HydrophobicContact CG2-CE1 4.05Å; I93-F112 HydrophobicContact CG2-CZ 4.43Å; L97-F112 HydrophobicContact CD1-CE2 3.74Å; L97-F112 HydrophobicContact CD1-CZ 3.55Å; W110-F112 HydrophobicContact CZ2-CD1 4.14Å; W110-F112 HydrophobicContact CZ2-CE1 4.14Å; W110-F112 AromaticContact NE1-CD1 3.56Å; W110-F112 AromaticContact NE1-CD2 3.78Å; W110-F112 AromaticContact NE1-CE1 3.39Å; W110-F112 AromaticContact NE1-CE2 3.62Å; W110-F112 AromaticContact NE1-CG 3.76Å; W110-F112 AromaticContact NE1-CZ 3.42Å
113	Q	86.9	Confident	84.1	Confident	129 Å²	129	103.4 Å²	103.4	60%	0.603	49%	0.488	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.3	-42.8	171.6	-173	155	15	0	0	111.6	W81 V83 E111	W81-Q113 PolarHBondContact O-N 3.33Å; V83-Q113 HydrophobicContact CG1-CB 3.96Å; E111-Q113 PolarHBondContact O-N 3.21Å
114	K	77.1	Confident	83.5	Confident	158 Å²	158	110.7 Å²	110.7	69%	0.687	52%	0.522	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-158.8	134.7	178.7	-135.2	178.4	-177.8	-175.6	0	109.6	W81	W81-K114 WeakPolarHBondContact CB-O 3.23Å; W81-K114 PolarHBondContact N-O 3.47Å; W81-K114 PolarHBondContact O-N 3.29Å
115	Y	78.1	Confident	83	Confident	147 Å²	147	116.1 Å²	116.1	58%	0.576	54%	0.542	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.8	135.8	168.6	59.6	-85.7	0	0	0	108.4	F90	F90-Y115 HydrophobicContact CE2-CD2 4.5Å
116	G	65.4	Low	82.6	Confident	33 Å²	33	119.1 Å²	119.1	34%	0.34	55%	0.552	S	S	.	*			trans	-70.4	130.9	-167.3	0	0	0	0	0	114	T78 V79	T78-G116 WeakPolarHBondContact CB-O 3.36Å; T78-G116 VanDerWaalsContact CG2-O 3.3Å; T78-G116 WeakPolarHBondContact CG2-O 3.44Å; T78-G116 PolarHBondContact OG1-O 2.78Å; V79-G116 PolarHBondContact O-N 3.04Å
117	K	45.5	Very low	81.9	Confident	279 Å²	279	126.1 Å²	126.1	100%	1.213	58%	0.581	S	S	*	*			trans	-122.1	0	134.8	-90.9	-166.4	177.3	-173.6	0	107.2

Retrieved 117 of 117 residues in 115.3 ms (Link to these results)

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