A0A096M3N9_POEFO Loading...

Transcription factor COE DNA-binding domain-containing protein

AlphaFold DB , UniProt , Accession A0A096M3N9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 186 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.7	Very low	36.2	Very low	227 Å²	227	161.8 Å²	161.8	100%	1.118	87%	0.869	S	S	*	*				0	101.6	0	-78.8	171.9	166.1	0	0	106.9
2	F	36.5	Very low	36.1	Very low	208 Å²	208	156.3 Å²	156.3	91%	0.912	86%	0.863	S	S	*	*			trans	-141.1	117.8	-178.4	-72.4	-77	0	0	0	108.7
3	S	34.1	Very low	35.8	Very low	133 Å²	133	156.4 Å²	156.4	93%	0.93	86%	0.86	S	S	*	*			trans	-87.8	160.3	-174.7	-78.7	0	0	0	0	112.7
4	I	40.4	Very low	35.9	Very low	139 Å²	139	153.9 Å²	153.9	71%	0.713	85%	0.851	S	S	*	*			trans	-106.5	151.9	-164.9	-68.8	168.5	0	0	0	110.7
5	Q	35.8	Very low	35.9	Very low	181 Å²	181	156.7 Å²	156.7	85%	0.846	86%	0.859	S	S	*	*			trans	81.5	134.7	149.3	-85.1	158.3	-3.1	0	0	124.3
6	D	33.3	Very low	36	Very low	156 Å²	156	159.6 Å²	159.6	83%	0.834	86%	0.861	S	S	*	*			trans	-48.5	150	168.5	-75.8	-85.8	0	0	0	117.7
7	S	33.3	Very low	36.1	Very low	114 Å²	114	161.6 Å²	161.6	80%	0.797	86%	0.863	S	S	*	*			trans	-165.8	123.3	135.8	56.6	0	0	0	0	111.3
8	L	36	Very low	36.1	Very low	167 Å²	167	161.7 Å²	161.7	87%	0.874	86%	0.858	S	S	*	*			trans	-78	150.9	162.7	-87.6	153.2	0	0	0	110.8
9	P	42.5	Very low	36.2	Very low	119 Å²	119	159.2 Å²	159.2	77%	0.773	85%	0.852	S	S	*	*				-138.7	157	129.3	31.2	-14.4	0	0	0	115.1
10	R	36.4	Very low	36.3	Very low	260 Å²	260	158.6 Å²	158.6	98%	0.981	85%	0.848	S	S	*	*			trans	-65.7	142.3	173.1	-84.3	173.7	172.7	169.6	-2.4	112.7
11	G	32	Very low	36.7	Very low	76 Å²	76	156.8 Å²	156.8	78%	0.784	85%	0.845	S	S	*	*			trans	-170.1	125.7	160.3	0	0	0	0	0	110.7
12	A	35	Very low	36.7	Very low	96 Å²	96	152.4 Å²	152.4	79%	0.793	83%	0.831	S	S	*	*			trans	-64.1	159.6	-176.5	0	0	0	0	0	113.6
13	L	32.5	Very low	36.9	Very low	157 Å²	157	145.9 Å²	145.9	82%	0.822	82%	0.822	S	S	*	*				174.3	131.3	124.5	-88	171.6	0	0	0	112.3
14	T	37	Very low	37.2	Very low	121 Å²	121	148.2 Å²	148.2	74%	0.742	82%	0.82	S	S	*	*			trans	57.8	112.1	151	70.2	0	0	0	0	120.6	K16	T14-K16 PolarHBondContact O-N 2.97Å
15	M	35.9	Very low	37.2	Very low	196 Å²	196	147 Å²	147	97%	0.966	82%	0.819	S	S	*	*			trans	-59.5	125.4	161.5	-60.3	-135.9	-150.7	0	0	110.9
16	K	37.9	Very low	37.7	Very low	204 Å²	204	144.6 Å²	144.6	89%	0.887	82%	0.82	S	S	*	*			trans	-105.2	109.8	156.9	-101.3	-174.8	167.5	-174.9	0	107	T14 E18	T14-K16 PolarHBondContact O-N 2.97Å; K16-E18 PolarHBondContact O-N 2.79Å
17	E	37.3	Very low	38.1	Very low	194 Å²	194	142.7 Å²	142.7	91%	0.907	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-67.9	122.5	172.4	-160.2	172.9	121	0	0	108.6
18	E	36	Very low	38.8	Very low	163 Å²	163	147.2 Å²	147.2	76%	0.762	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-91.1	125.7	175.1	-168.5	-178	124.7	0	0	107.8	K16 L20	K16-E18 PolarHBondContact O-N 2.79Å; E18-L20 PolarHBondContact O-N 3.25Å
19	P	38	Very low	39	Very low	114 Å²	114	143.8 Å²	143.8	74%	0.74	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-71.4	126.8	177.2	26.3	-29.5	0	0	0	109.9
20	L	39.4	Very low	39	Very low	147 Å²	147	149 Å²	149	77%	0.77	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-48.9	132.8	174.8	-80.9	85.1	0	0	0	111.3	E18 T22	E18-L20 PolarHBondContact O-N 3.25Å; L20-T22 PolarHBondContact O-N 2.81Å; L20-T22 VanDerWaalsContact O-N 3.08Å
21	P	43.1	Very low	39.3	Very low	121 Å²	121	145.4 Å²	145.4	79%	0.786	80%	0.804	S	S	*	*			trans	-75.6	96.5	161	30	-28.6	0	0	0	108	G23	P21-G23 PolarHBondContact O-N 3.48Å
22	T	38	Very low	40	Very low	135 Å²	135	149.7 Å²	149.7	83%	0.828	80%	0.803	S	S	*	*			trans	-69.1	74.6	165.8	29.7	0	0	0	0	109.7	L20 M24	L20-T22 PolarHBondContact O-N 2.81Å; L20-T22 VanDerWaalsContact O-N 3.08Å; T22-M24 PolarHBondContact O-N 2.9Å
23	G	40.7	Very low	40.5	Very low	70 Å²	70	148.3 Å²	148.3	72%	0.722	80%	0.798	S	S	*	*			trans	-76.4	95.5	166.1	0	0	0	0	0	110.3	P21	P21-G23 PolarHBondContact O-N 3.48Å
24	M	40.7	Very low	41.7	Very low	182 Å²	182	144.1 Å²	144.1	90%	0.897	79%	0.786	S	S	*	*			trans	-135.8	94.9	148.4	-78.6	-174.5	125.7	0	0	108	T22	T22-M24 PolarHBondContact O-N 2.9Å
25	T	41.5	Very low	43.8	Very low	113 Å²	113	140.6 Å²	140.6	69%	0.693	77%	0.774	S	S	*	*			trans	-46.3	133.9	159.3	46.5	0	0	0	0	109.8	V27	T25-V27 PolarHBondContact O-N 3.08Å
26	P	45.5	Very low	46.2	Very low	132 Å²	132	135.2 Å²	135.2	86%	0.857	75%	0.748	S	S	*	*			trans	-73.7	81.1	173.5	30.5	-31.9	0	0	0	108.5	R28	P26-R28 PolarHBondContact O-N 3.39Å
27	V	41.7	Very low	48.7	Very low	115 Å²	115	128.5 Å²	128.5	70%	0.697	72%	0.722	S	S	*	*			trans	-67.9	99.7	169.1	178.4	0	0	0	0	107	T25	T25-V27 PolarHBondContact O-N 3.08Å
28	R	47.2	Very low	51.3	Low	210 Å²	210	122.9 Å²	122.9	79%	0.792	70%	0.698	S	S	*	*			trans	51.2	83.3	152.3	-62.4	-179.3	178.7	-133.7	0.1	115.8	P26 W30	P26-R28 PolarHBondContact O-N 3.39Å; R28-W30 PolarHBondContact O-N 3.43Å
29	S	40.9	Very low	53.8	Low	94 Å²	94	116.1 Å²	116.1	66%	0.657	67%	0.67	S	S	*	*			trans	-68.3	73	153.3	-171.1	0	0	0	0	110.1
30	W	43.1	Very low	56.3	Low	229 Å²	229	116.7 Å²	116.7	87%	0.867	67%	0.667	S	S	*	*			trans	-108.3	16.2	172.5	-99.3	46.4	0	0	0	112.4	R28	R28-W30 PolarHBondContact O-N 3.43Å
31	M	41.4	Very low	58.8	Low	184 Å²	184	112.5 Å²	112.5	91%	0.906	65%	0.647	S	S	*	*			trans	-129	52.7	170.2	-63.7	-175.2	87.3	0	0	110.1	G33	M31-G33 PolarHBondContact O-N 2.87Å; M31-G33 VanDerWaalsContact O-N 3.09Å
32	Q	47.7	Very low	60.9	Low	167 Å²	167	106.8 Å²	106.8	78%	0.78	61%	0.61	S	S	*	*			trans	-69.8	97.4	146.7	-80.8	174.9	-29.2	0	0	105	A34	Q32-A34 PolarHBondContact O-N 3.06Å
33	G	44.5	Very low	63.4	Low	66 Å²	66	102 Å²	102	68%	0.68	59%	0.585	S	S	*	*			trans	-48.2	129.3	163.2	0	0	0	0	0	107.1	M31 G35	M31-G33 PolarHBondContact O-N 2.87Å; M31-G33 VanDerWaalsContact O-N 3.09Å; G33-G35 PolarHBondContact O-N 2.85Å
34	A	58.7	Low	65.7	Low	69 Å²	69	106.6 Å²	106.6	57%	0.57	59%	0.587	S	S	*	*			trans	-61.1	83.8	176.1	0	0	0	0	0	108.5	Q32	Q32-A34 PolarHBondContact O-N 3.06Å
35	G	79.9	Confident	67.8	Low	47 Å²	47	102.3 Å²	102.3	49%	0.485	58%	0.575	S	S	.	*	P	Polyproline II helix	trans	-67.6	141.8	180	0	0	0	0	0	109.4	G33 L37	G33-G35 PolarHBondContact O-N 2.85Å; G35-L37 PolarHBondContact O-N 3.21Å
36	I	87.3	Confident	70	Confident	84 Å²	84	98.3 Å²	98.3	43%	0.431	56%	0.557	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-69.7	119.2	169	-60	168	0	0	0	106.5	Q113 R122 E124	I36-Q113 HydrophobicContact CD1-CG 4.29Å; I36-R122 HydrophobicContact CG1-CB 4.1Å; I36-E124 HydrophobicContact CG2-CB 3.99Å
37	L	90.3	Very high	72.1	Confident	63 Å²	63	92.5 Å²	92.5	33%	0.33	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	150.3	175.9	-57.2	178	0	0	0	109.7	G35 A42 I121 R122 T123 E124	G35-L37 PolarHBondContact O-N 3.21Å; L37-A42 HydrophobicContact CB-CB 4.4Å; L37-I121 HydrophobicContact CD1-CG2 3.89Å; L37-R122 PolarHBondContact N-O 3.41Å; L37-T123 CarbonylContact O-C 3.1Å; L37-T123 WeakPolarHBondContact O-CA 3.49Å; L37-E124 PolarHBondContact O-N 3.05Å
38	D	91.9	Very high	74.6	Confident	75 Å²	75	87.5 Å²	87.5	40%	0.401	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	155.2	163.9	69.5	93	0	0	0	110.4	N40 T41 A42	D38-N40 VanDerWaalsContact C-N 3.27Å; D38-N40 PolarHBondContact O-N 2.68Å; D38-N40 WeakPolarHBondContact OD1-CA 3.3Å; D38-N40 WeakPolarHBondContact OD1-CB 3.32Å; D38-N40 PolarHBondContact OD1-N 3.02Å; D38-T41 VanDerWaalsContact CG-OG1 3.31Å; D38-T41 PolarHBondContact O-N 3.09Å; D38-T41 PolarHBondContact OD1-N 3.46Å; D38-T41 PolarHBondContact OD1-OG1 2.76Å; D38-T41 WeakPolarHBondContact OD2-CB 3.44Å; D38-T41 PolarHBondContact OD2-OG1 2.83Å; D38-A42 PolarHBondContact O-N 3.05Å
39	A	89.3	Confident	76.9	Confident	21 Å²	21	79.6 Å²	79.6	17%	0.174	46%	0.464	C	S	.	.	H	α-helix	trans	-56.8	-35	-178.3	0	0	0	0	0	114.1	A43 E124 Q125	A39-A43 VanDerWaalsContact O-CB 3.27Å; A39-A43 WeakPolarHBondContact O-CB 3.3Å; A39-A43 PolarHBondContact O-N 3.49Å; A39-E124 PolarHBondContact N-O 3.41Å; A39-Q125 VanDerWaalsContact CB-OE1 3.26Å
40	N	90.6	Very high	79.5	Confident	127 Å²	127	78.3 Å²	78.3	68%	0.679	46%	0.458	S	S	*	.	H	α-helix	trans	-72	-43.6	-178.1	-68	-42.1	0	0	0	111.2	D38 A42 A43 Q44	D38-N40 VanDerWaalsContact C-N 3.27Å; D38-N40 PolarHBondContact O-N 2.68Å; D38-N40 WeakPolarHBondContact OD1-CA 3.3Å; D38-N40 WeakPolarHBondContact OD1-CB 3.32Å; D38-N40 PolarHBondContact OD1-N 3.02Å; N40-A42 VanDerWaalsContact C-N 3.35Å; N40-A43 PolarHBondContact O-N 3.09Å; N40-Q44 PolarHBondContact O-N 2.83Å
41	T	90.6	Very high	82.1	Confident	58 Å²	58	74 Å²	74	36%	0.356	44%	0.442	S	S	.	.	H	α-helix	trans	-62.4	-42.8	174.7	-60.9	0	0	0	0	111.2	D38 A43 Q44	D38-T41 VanDerWaalsContact CG-OG1 3.31Å; D38-T41 PolarHBondContact O-N 3.09Å; D38-T41 PolarHBondContact OD1-N 3.46Å; D38-T41 PolarHBondContact OD1-OG1 2.76Å; D38-T41 WeakPolarHBondContact OD2-CB 3.44Å; D38-T41 PolarHBondContact OD2-OG1 2.83Å; T41-A43 VanDerWaalsContact C-N 3.35Å; T41-A43 PolarHBondContact O-N 3.14Å; T41-Q44 PolarHBondContact O-N 2.92Å
42	A	88.4	Confident	84.7	Confident	2 Å²	2	67.8 Å²	67.8	2%	0.017	42%	0.42	C	S	.	.	H	α-helix	trans	-63.4	-40.1	176.3	0	0	0	0	0	112.3	L37 D38 N40 Q44 S45 G46 V47 T123	L37-A42 HydrophobicContact CB-CB 4.4Å; D38-A42 PolarHBondContact O-N 3.05Å; N40-A42 VanDerWaalsContact C-N 3.35Å; A42-Q44 VanDerWaalsContact C-N 3.28Å; A42-Q44 PolarHBondContact O-N 3.33Å; A42-S45 CarbonylContact O-C 3.47Å; A42-S45 WeakPolarHBondContact O-CA 3.37Å; A42-S45 WeakPolarHBondContact O-CB 3.49Å; A42-S45 PolarHBondContact O-N 3.4Å; A42-G46 PolarHBondContact O-N 3.33Å; A42-V47 CarbonylContact C-O 3.54Å; A42-V47 HydrophobicContact CB-CB 4.34Å; A42-V47 PolarHBondContact O-N 3.26Å; A42-V47 VanDerWaalsContact O-N 3.1Å; A42-V47 VanDerWaalsContact O-O 3.12Å; A42-T123 HydrophobicContact CB-CG2 3.47Å; A42-T123 VanDerWaalsContact CB-CG2 3.47Å
43	A	88.9	Confident	87.1	Confident	35 Å²	35	63.7 Å²	63.7	29%	0.289	40%	0.4	S	S	.	.	H	α-helix	trans	-63.1	-31.1	179.7	0	0	0	0	0	113.3	A39 N40 T41 S45 G46 V47	A39-A43 VanDerWaalsContact O-CB 3.27Å; A39-A43 WeakPolarHBondContact O-CB 3.3Å; A39-A43 PolarHBondContact O-N 3.49Å; N40-A43 PolarHBondContact O-N 3.09Å; T41-A43 VanDerWaalsContact C-N 3.35Å; T41-A43 PolarHBondContact O-N 3.14Å; A43-S45 PolarHBondContact O-N 3.31Å; A43-G46 PolarHBondContact O-N 2.99Å; A43-V47 VanDerWaalsContact CA-O 3.26Å; A43-V47 WeakPolarHBondContact CA-O 3.47Å; A43-V47 PolarHBondContact N-O 3.15Å
44	Q	88.9	Confident	89.6	Confident	165 Å²	165	64.4 Å²	64.4	77%	0.771	39%	0.385	S	S	*	.	H	α-helix	trans	-63.7	-29.6	173.2	-67.3	175.2	10.1	0	0	112.2	N40 T41 A42 G46	N40-Q44 PolarHBondContact O-N 2.83Å; T41-Q44 PolarHBondContact O-N 2.92Å; A42-Q44 VanDerWaalsContact C-N 3.28Å; A42-Q44 PolarHBondContact O-N 3.33Å; Q44-G46 VanDerWaalsContact C-N 3.27Å
45	S	85.6	Confident	91.5	Very high	92 Å²	92	66.3 Å²	66.3	64%	0.643	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	8.3	175.3	-56	0	0	0	0	112.8	A42 A43 V47	A42-S45 CarbonylContact O-C 3.47Å; A42-S45 WeakPolarHBondContact O-CA 3.37Å; A42-S45 WeakPolarHBondContact O-CB 3.49Å; A42-S45 PolarHBondContact O-N 3.4Å; A43-S45 PolarHBondContact O-N 3.31Å; S45-V47 VanDerWaalsContact C-N 3.27Å; S45-V47 PolarHBondContact O-N 3.23Å
46	G	87.4	Confident	92.3	Very high	30 Å²	30	68.9 Å²	68.9	31%	0.309	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.7	6	-179	0	0	0	0	0	114.9	A42 A43 Q44	A42-G46 PolarHBondContact O-N 3.33Å; A43-G46 PolarHBondContact O-N 2.99Å; Q44-G46 VanDerWaalsContact C-N 3.27Å
47	V	91	Very high	92.9	Very high	10 Å²	10	70.9 Å²	70.9	6%	0.061	39%	0.388	C	S	.	.			trans	-94.1	128.2	177.4	179.3	0	0	0	0	109.4	A42 A43 S45 Y116 I121	A42-V47 CarbonylContact C-O 3.54Å; A42-V47 HydrophobicContact CB-CB 4.34Å; A42-V47 PolarHBondContact O-N 3.26Å; A42-V47 VanDerWaalsContact O-N 3.1Å; A42-V47 VanDerWaalsContact O-O 3.12Å; A43-V47 VanDerWaalsContact CA-O 3.26Å; A43-V47 WeakPolarHBondContact CA-O 3.47Å; A43-V47 PolarHBondContact N-O 3.15Å; S45-V47 VanDerWaalsContact C-N 3.27Å; S45-V47 PolarHBondContact O-N 3.23Å; V47-Y116 HydrophobicContact CG1-CD1 3.65Å; V47-Y116 HydrophobicContact CG1-CD2 3.57Å; V47-Y116 HydrophobicContact CG1-CE1 3.89Å; V47-Y116 HydrophobicContact CG1-CE2 3.83Å; V47-Y116 HydrophobicContact CG1-CG 3.48Å; V47-Y116 VanDerWaalsContact CG1-CG 3.48Å; V47-I121 HydrophobicContact CG1-CG2 4.28Å; V47-I121 HydrophobicContact CG2-CD1 3.87Å
48	G	93.3	Very high	93.2	Very high	9 Å²	9	70.2 Å²	70.2	9%	0.093	39%	0.387	C	S	.	.	S	Bend	trans	171.6	161.5	177.8	0	0	0	0	0	112.1	D76 R77 Y116	G48-D76 WeakPolarHBondContact O-CA 3.46Å; G48-R77 PolarHBondContact O-N 2.78Å; G48-Y116 WeakPolarHBondContact CA-OH 3.27Å
49	L	95.4	Very high	93.5	Very high	45 Å²	45	69.7 Å²	69.7	24%	0.236	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	141.6	171.4	-65.1	-176	0	0	0	110.4	L74 V82 L114 Y116 Q125	L49-L74 HydrophobicContact CD1-CD1 4.05Å; L49-L74 HydrophobicContact CD2-CB 3.92Å; L49-L74 HydrophobicContact CD2-CD1 4.33Å; L49-V82 HydrophobicContact CD2-CB 4.16Å; L49-V82 HydrophobicContact CD2-CG1 4.21Å; L49-V82 HydrophobicContact CD2-CG2 3.94Å; L49-L114 HydrophobicContact CD1-CD1 3.83Å; L49-L114 HydrophobicContact CD2-CD1 3.89Å; L49-L114 HydrophobicContact CG-CD1 3.78Å; L49-Y116 PolarHBondContact N-OH 3.22Å; L49-Q125 HydrophobicContact CD1-CG 3.93Å
50	A	95.8	Very high	93.8	Very high	66 Å²	66	75.3 Å²	75.3	55%	0.545	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	-30.9	174.2	0	0	0	0	0	112.9	Y75 D76 R77	A50-Y75 PolarHBondContact N-O 3.29Å; A50-D76 WeakPolarHBondContact CB-O 3.4Å; A50-R77 HydrophobicContact CB-CB 4.31Å; A50-R77 HydrophobicContact CB-CG 3.88Å
51	R	96.3	Very high	94	Very high	139 Å²	139	75.9 Å²	75.9	53%	0.525	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	143.6	-176.3	-173	179.5	67.5	129.8	5.1	110.8	Y75	R51-Y75 PolarHBondContact N-O 3.41Å; R51-Y75 PolarHBondContact O-N 2.85Å
52	A	97.5	Very high	94.2	Very high	54 Å²	54	76.5 Å²	76.5	45%	0.446	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	148.7	163.9	0	0	0	0	0	109.5	A73 L74	A52-A73 CarbonylContact C-O 3.44Å; A52-A73 VanDerWaalsContact CA-O 3.3Å; A52-A73 WeakPolarHBondContact CA-O 3.21Å; A52-L74 HydrophobicContact CB-CD2 3.68Å
53	H	97.6	Very high	94.5	Very high	80 Å²	80	85 Å²	85	37%	0.37	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	135.2	176.6	178.5	-109	0	0	0	109.9	E55 L72 A73 Y75	H53-E55 IonicContact CE1-OE1 2.9Å; H53-E55 IonicContact CG-OE1 3.95Å; H53-E55 IonicContact ND1-OE1 2.55Å; H53-E55 PolarHBondContact ND1-OE1 2.85Å; H53-E55 PolarHBondContact O-N 3.44Å; H53-L72 CarbonylContact O-C 3.51Å; H53-L72 VanDerWaalsContact O-CA 3.26Å; H53-L72 WeakPolarHBondContact O-CA 3.34Å; H53-A73 HydrophobicContact CB-CB 4.46Å; H53-A73 PolarHBondContact N-O 3.18Å; H53-A73 PolarHBondContact O-N 3.11Å; H53-Y75 HydrophobicContact CB-CE2 3.86Å
54	F	97.8	Very high	94.5	Very high	82 Å²	82	92.1 Å²	92.1	36%	0.36	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	93.2	172.6	-77.2	-85.3	0	0	0	109.9	K56 Q57 F70 V71 L72	F54-K56 PolarHBondContact O-N 3.32Å; F54-Q57 HydrophobicContact CB-CG 4.42Å; F54-F70 HydrophobicContact CD1-CB 4.02Å; F54-F70 HydrophobicContact CD1-CD2 4.13Å; F54-F70 HydrophobicContact CD1-CG 4.34Å; F54-F70 HydrophobicContact CE1-CB 3.96Å; F54-F70 AromaticContact CE1-CD2 3.6Å; F54-F70 HydrophobicContact CE1-CD2 3.6Å; F54-F70 HydrophobicContact CE1-CE2 4.26Å; F54-F70 AromaticContact CE1-CG 3.83Å; F54-F70 HydrophobicContact CE1-CG 3.83Å; F54-V71 CarbonylContact C-O 3.59Å; F54-V71 WeakPolarHBondContact CA-O 3.38Å; F54-L72 HydrophobicContact CD1-CD2 3.6Å; F54-L72 HydrophobicContact CD2-CD2 4.14Å; F54-L72 HydrophobicContact CE1-CD2 3.64Å; F54-L72 HydrophobicContact CE2-CD2 4.17Å; F54-L72 HydrophobicContact CG-CD2 3.87Å; F54-L72 HydrophobicContact CZ-CD2 3.93Å
55	E	97.6	Very high	94.4	Very high	109 Å²	109	88.1 Å²	88.1	51%	0.509	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	-37	168.3	-69.7	-56.7	137.2	0	0	111	H53 V71 A73	H53-E55 IonicContact CE1-OE1 2.9Å; H53-E55 IonicContact CG-OE1 3.95Å; H53-E55 IonicContact ND1-OE1 2.55Å; H53-E55 PolarHBondContact ND1-OE1 2.85Å; H53-E55 PolarHBondContact O-N 3.44Å; E55-V71 HydrophobicContact CB-CB 4.16Å; E55-V71 HydrophobicContact CB-CG1 3.96Å; E55-V71 PolarHBondContact N-O 2.74Å; E55-A73 HydrophobicContact CG-CB 3.81Å
56	K	98	Very high	94.8	Very high	100 Å²	100	87.9 Å²	87.9	44%	0.435	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	117.5	170.5	-176.2	172.1	177.4	168.6	0	109.8	F54 H69 F70 V71	F54-K56 PolarHBondContact O-N 3.32Å; K56-H69 PolarHBondContact NZ-NE2 3.46Å; K56-F70 VanDerWaalsContact O-CA 3.32Å; K56-F70 WeakPolarHBondContact O-CA 3.25Å; K56-F70 VanDerWaalsContact O-CB 3.31Å; K56-F70 WeakPolarHBondContact O-CB 3.42Å; K56-V71 HydrophobicContact CB-CB 3.73Å; K56-V71 HydrophobicContact CB-CG2 3.74Å; K56-V71 HydrophobicContact CD-CG2 4.29Å; K56-V71 PolarHBondContact N-O 2.88Å; K56-V71 PolarHBondContact O-N 2.94Å
57	Q	98.1	Very high	95.2	Very high	127 Å²	127	90.8 Å²	90.8	59%	0.593	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-66.5	146.8	174.7	-68.1	-71.5	-9.6	0	0	111.1	F54	F54-Q57 HydrophobicContact CB-CG 4.42Å
58	P	97.5	Very high	95.5	Very high	48 Å²	48	93.7 Å²	93.7	31%	0.312	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-61.3	156.3	165.6	28.8	-34	0	0	0	110.3	F68 F70	P58-F68 HydrophobicContact CB-CD2 4.02Å; P58-F68 HydrophobicContact CB-CE2 4.3Å; P58-F70 HydrophobicContact CB-CB 4.32Å
59	P	97.2	Very high	95.7	Very high	65 Å²	65	98.7 Å²	98.7	42%	0.422	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-61.8	139.1	-179.7	26.7	-34.5	0	0	0	111.3	N61 L62 F68	P59-N61 PolarHBondContact O-N 3.42Å; P59-L62 HydrophobicContact CG-CB 4.46Å; P59-L62 HydrophobicContact CG-CD1 4.19Å; P59-F68 HydrophobicContact CG-CB 3.75Å
60	S	96.1	Very high	95.9	Very high	138 Å²	138	99.5 Å²	99.5	97%	0.965	51%	0.506	S	S	*	.	S	Bend	trans	-68.9	-21.2	-179.8	56	0	0	0	0	113.7
61	N	94.3	Very high	96	Very high	139 Å²	139	98.3 Å²	98.3	74%	0.743	49%	0.492	S	S	*	.	S	Bend	trans	-136.7	133.2	173.2	-168.2	-45.6	0	0	0	108.4	P59	P59-N61 PolarHBondContact O-N 3.42Å
62	L	95.6	Very high	96.1	Very high	72 Å²	72	94.1 Å²	94.1	38%	0.377	48%	0.48	S	S	.	.			trans	-136.2	131.7	-177.3	-177.1	66.1	0	0	0	110.4	P59 N66 F68	P59-L62 HydrophobicContact CG-CB 4.46Å; P59-L62 HydrophobicContact CG-CD1 4.19Å; L62-N66 HydrophobicContact CD1-CB 4.15Å; L62-F68 HydrophobicContact CD1-CB 3.85Å; L62-F68 HydrophobicContact CD2-CB 3.82Å; L62-F68 HydrophobicContact CD2-CD1 3.33Å; L62-F68 HydrophobicContact CD2-CE1 4.07Å; L62-F68 HydrophobicContact CD2-CG 3.75Å; L62-F68 HydrophobicContact CG-CB 4.46Å
63	R	94.6	Very high	96.1	Very high	179 Å²	179	92.7 Å²	92.7	68%	0.675	47%	0.468	S	S	*	.			trans	-77.7	128.6	166.3	-175.4	-179	177.2	176	-0.8	109.1	S65 N66	R63-S65 WeakPolarHBondContact CD-OG 3.39Å; R63-S65 WeakPolarHBondContact CG-OG 3.38Å; R63-S65 PolarHBondContact NE-OG 2.6Å; R63-S65 VanDerWaalsContact NE-OG 3.11Å; R63-S65 PolarHBondContact O-N 2.82Å; R63-N66 WeakPolarHBondContact O-CB 3.37Å; R63-N66 PolarHBondContact O-N 2.9Å
64	K	88.4	Confident	96.1	Very high	185 Å²	185	89.4 Å²	89.4	80%	0.804	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	-31.9	-177.8	-174.4	178.6	178.5	-178.6	0	114.9	N66	K64-N66 VanDerWaalsContact C-N 3.28Å; K64-N66 PolarHBondContact O-N 3.31Å
65	S	88.2	Confident	96	Very high	81 Å²	81	87.8 Å²	87.8	57%	0.566	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-7.1	-180	59.3	0	0	0	0	114.7	R63	R63-S65 WeakPolarHBondContact CD-OG 3.39Å; R63-S65 WeakPolarHBondContact CG-OG 3.38Å; R63-S65 PolarHBondContact NE-OG 2.6Å; R63-S65 VanDerWaalsContact NE-OG 3.11Å; R63-S65 PolarHBondContact O-N 2.82Å
66	N	93.8	Very high	95.9	Very high	87 Å²	87	82.8 Å²	82.8	47%	0.465	42%	0.421	S	S	.	.	S	Bend	trans	-103.6	147.1	-174.5	-63.6	3.5	0	0	0	110.2	L62 R63 K64	L62-N66 HydrophobicContact CD1-CB 4.15Å; R63-N66 WeakPolarHBondContact O-CB 3.37Å; R63-N66 PolarHBondContact O-N 2.9Å; K64-N66 VanDerWaalsContact C-N 3.28Å; K64-N66 PolarHBondContact O-N 3.31Å
67	F	95.9	Very high	95.6	Very high	91 Å²	91	85.2 Å²	85.2	40%	0.399	43%	0.428	S	S	.	.			trans	-71.9	154	165.1	-68.2	-80.3	0	0	0	110.7	H158 M161 T177	F67-H158 HydrophobicContact CE1-CB 3.86Å; F67-H158 HydrophobicContact CZ-CB 3.64Å; F67-H158 AromaticContact CZ-ND1 3.71Å; F67-M161 HydrophobicContact CE1-CE 3.41Å; F67-M161 VanDerWaalsContact CE1-CE 3.41Å; F67-M161 HydrophobicContact CE2-CE 4.39Å; F67-M161 HydrophobicContact CZ-CE 3.32Å; F67-T177 HydrophobicContact CB-CG2 4.17Å; F67-T177 HydrophobicContact CD2-CG2 4.35Å; F67-T177 HydrophobicContact CG-CG2 4.12Å
68	F	97.5	Very high	95.3	Very high	71 Å²	71	84.8 Å²	84.8	31%	0.311	43%	0.426	S	S	.	.			trans	-133.6	161.5	169.3	72.3	-79.6	0	0	0	109.2	P58 P59 L62 F70 L155	P58-F68 HydrophobicContact CB-CD2 4.02Å; P58-F68 HydrophobicContact CB-CE2 4.3Å; P59-F68 HydrophobicContact CG-CB 3.75Å; L62-F68 HydrophobicContact CD1-CB 3.85Å; L62-F68 HydrophobicContact CD2-CB 3.82Å; L62-F68 HydrophobicContact CD2-CD1 3.33Å; L62-F68 HydrophobicContact CD2-CE1 4.07Å; L62-F68 HydrophobicContact CD2-CG 3.75Å; L62-F68 HydrophobicContact CG-CB 4.46Å; F68-F70 HydrophobicContact CD2-CD1 4.45Å; F68-F70 HydrophobicContact CE2-CD1 4.07Å; F68-F70 HydrophobicContact CE2-CE1 4.25Å; F68-L155 HydrophobicContact CE1-CD2 4.17Å; F68-L155 HydrophobicContact CZ-CD2 3.95Å
69	H	97.7	Very high	95.1	Very high	114 Å²	114	84.4 Å²	84.4	53%	0.528	43%	0.431	S	S	.	.			trans	-142.5	160.7	176.8	64.2	-69.7	0	0	0	110.8	K56	K56-H69 PolarHBondContact NZ-NE2 3.46Å
70	F	98.3	Very high	95	Very high	62 Å²	62	85.7 Å²	85.7	27%	0.272	43%	0.431	S	S	.	.			trans	-144.1	162.8	173.3	56.7	-94.1	0	0	0	108	F54 K56 P58 F68 L72 V129	F54-F70 HydrophobicContact CD1-CB 4.02Å; F54-F70 HydrophobicContact CD1-CD2 4.13Å; F54-F70 HydrophobicContact CD1-CG 4.34Å; F54-F70 HydrophobicContact CE1-CB 3.96Å; F54-F70 AromaticContact CE1-CD2 3.6Å; F54-F70 HydrophobicContact CE1-CD2 3.6Å; F54-F70 HydrophobicContact CE1-CE2 4.26Å; F54-F70 AromaticContact CE1-CG 3.83Å; F54-F70 HydrophobicContact CE1-CG 3.83Å; K56-F70 VanDerWaalsContact O-CA 3.32Å; K56-F70 WeakPolarHBondContact O-CA 3.25Å; K56-F70 VanDerWaalsContact O-CB 3.31Å; K56-F70 WeakPolarHBondContact O-CB 3.42Å; P58-F70 HydrophobicContact CB-CB 4.32Å; F68-F70 HydrophobicContact CD2-CD1 4.45Å; F68-F70 HydrophobicContact CE2-CD1 4.07Å; F68-F70 HydrophobicContact CE2-CE1 4.25Å; F70-L72 HydrophobicContact CD2-CD1 4.35Å; F70-L72 HydrophobicContact CD2-CD2 4.27Å; F70-L72 HydrophobicContact CD2-CG 3.9Å; F70-L72 HydrophobicContact CE2-CD1 3.82Å; F70-L72 HydrophobicContact CE2-CD2 4.49Å; F70-L72 HydrophobicContact CE2-CG 3.89Å; F70-V129 HydrophobicContact CE1-CG1 4.19Å; F70-V129 HydrophobicContact CZ-CG1 3.87Å; F70-V129 HydrophobicContact CZ-CG2 4.07Å
71	V	98.2	Very high	94.9	Very high	42 Å²	42	83.2 Å²	83.2	26%	0.255	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	131.6	179.2	-178.5	0	0	0	0	108.3	F54 E55 K56 I184	F54-V71 CarbonylContact C-O 3.59Å; F54-V71 WeakPolarHBondContact CA-O 3.38Å; E55-V71 HydrophobicContact CB-CB 4.16Å; E55-V71 HydrophobicContact CB-CG1 3.96Å; E55-V71 PolarHBondContact N-O 2.74Å; K56-V71 HydrophobicContact CB-CB 3.73Å; K56-V71 HydrophobicContact CB-CG2 3.74Å; K56-V71 HydrophobicContact CD-CG2 4.29Å; K56-V71 PolarHBondContact N-O 2.88Å; K56-V71 PolarHBondContact O-N 2.94Å; V71-I184 HydrophobicContact CG2-CD1 4.38Å
72	L	98.1	Very high	95	Very high	51 Å²	51	77.2 Å²	77.2	27%	0.267	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	136.5	179.9	-66.8	178.7	0	0	0	111.1	H53 F54 F70	H53-L72 CarbonylContact O-C 3.51Å; H53-L72 VanDerWaalsContact O-CA 3.26Å; H53-L72 WeakPolarHBondContact O-CA 3.34Å; F54-L72 HydrophobicContact CD1-CD2 3.6Å; F54-L72 HydrophobicContact CD2-CD2 4.14Å; F54-L72 HydrophobicContact CE1-CD2 3.64Å; F54-L72 HydrophobicContact CE2-CD2 4.17Å; F54-L72 HydrophobicContact CG-CD2 3.87Å; F54-L72 HydrophobicContact CZ-CD2 3.93Å; F70-L72 HydrophobicContact CD2-CD1 4.35Å; F70-L72 HydrophobicContact CD2-CD2 4.27Å; F70-L72 HydrophobicContact CD2-CG 3.9Å; F70-L72 HydrophobicContact CE2-CD1 3.82Å; F70-L72 HydrophobicContact CE2-CD2 4.49Å; F70-L72 HydrophobicContact CE2-CG 3.89Å
73	A	97.5	Very high	95	Very high	23 Å²	23	76.5 Å²	76.5	19%	0.19	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	135.5	159.9	0	0	0	0	0	109.3	A52 H53 E55 Y75	A52-A73 CarbonylContact C-O 3.44Å; A52-A73 VanDerWaalsContact CA-O 3.3Å; A52-A73 WeakPolarHBondContact CA-O 3.21Å; H53-A73 HydrophobicContact CB-CB 4.46Å; H53-A73 PolarHBondContact N-O 3.18Å; H53-A73 PolarHBondContact O-N 3.11Å; E55-A73 HydrophobicContact CG-CB 3.81Å; A73-Y75 HydrophobicContact CB-CE2 3.91Å
74	L	97.1	Very high	95.1	Very high	12 Å²	12	69.7 Å²	69.7	6%	0.063	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	139	-177.5	-59.4	-177.8	0	0	0	110.6	L49 A52 V82 I84 L112 L114	L49-L74 HydrophobicContact CD1-CD1 4.05Å; L49-L74 HydrophobicContact CD2-CB 3.92Å; L49-L74 HydrophobicContact CD2-CD1 4.33Å; A52-L74 HydrophobicContact CB-CD2 3.68Å; L74-V82 HydrophobicContact CB-CB 4.39Å; L74-V82 PolarHBondContact O-N 3.37Å; L74-I84 HydrophobicContact CD1-CD1 3.83Å; L74-I84 HydrophobicContact CD1-CG1 4.23Å; L74-I84 HydrophobicContact CG-CD1 4.37Å; L74-L112 HydrophobicContact CD1-CD1 3.86Å; L74-L114 HydrophobicContact CD1-CD2 4.15Å
75	Y	96.1	Very high	95.5	Very high	47 Å²	47	62.6 Å²	62.6	18%	0.184	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	142.5	179.9	-58.8	-90	0	0	0	111.3	A50 R51 H53 A73 G79 Q80 P81	A50-Y75 PolarHBondContact N-O 3.29Å; R51-Y75 PolarHBondContact N-O 3.41Å; R51-Y75 PolarHBondContact O-N 2.85Å; H53-Y75 HydrophobicContact CB-CE2 3.86Å; A73-Y75 HydrophobicContact CB-CE2 3.91Å; Y75-G79 WeakPolarHBondContact CD1-O 3.4Å; Y75-Q80 CarbonylContact C-O 3.55Å; Y75-Q80 WeakPolarHBondContact CA-O 3.4Å; Y75-P81 HydrophobicContact CD1-CB 4.43Å; Y75-P81 HydrophobicContact CE1-CB 4.28Å
76	D	95.2	Very high	95.9	Very high	4 Å²	4	66.9 Å²	66.9	2%	0.021	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	-179.7	176.1	79.8	-0.7	0	0	0	112.5	G48 A50 Q78 G79 Q80 V82 Y116	G48-D76 WeakPolarHBondContact O-CA 3.46Å; A50-D76 WeakPolarHBondContact CB-O 3.4Å; D76-Q78 PolarHBondContact O-N 3.25Å; D76-Q78 VanDerWaalsContact OD1-CA 3.31Å; D76-Q78 WeakPolarHBondContact OD1-CA 3.44Å; D76-Q78 WeakPolarHBondContact OD1-CB 3.4Å; D76-Q78 PolarHBondContact OD1-N 3.18Å; D76-G79 PolarHBondContact O-N 2.74Å; D76-G79 PolarHBondContact OD1-N 2.91Å; D76-Q80 PolarHBondContact N-O 2.84Å; D76-Q80 PolarHBondContact OD1-N 2.88Å; D76-V82 HydrophobicContact CB-CG2 3.79Å; D76-Y116 HydrophobicContact CB-CD1 3.77Å; D76-Y116 HydrophobicContact CB-CE1 3.83Å
77	R	92.5	Very high	96.1	Very high	151 Å²	151	64.2 Å²	64.2	57%	0.57	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-19.3	177.9	-69.4	-179.8	177.8	-165.5	2.1	114.8	G48 A50	G48-R77 PolarHBondContact O-N 2.78Å; A50-R77 HydrophobicContact CB-CB 4.31Å; A50-R77 HydrophobicContact CB-CG 3.88Å
78	Q	92	Very high	96.2	Very high	118 Å²	118	62.3 Å²	62.3	55%	0.551	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	2.8	178.1	-63.4	155.7	17.7	0	0	111.3	D76 Q80 N118	D76-Q78 PolarHBondContact O-N 3.25Å; D76-Q78 VanDerWaalsContact OD1-CA 3.31Å; D76-Q78 WeakPolarHBondContact OD1-CA 3.44Å; D76-Q78 WeakPolarHBondContact OD1-CB 3.4Å; D76-Q78 PolarHBondContact OD1-N 3.18Å; Q78-Q80 VanDerWaalsContact C-N 3.28Å; Q78-Q80 HydrophobicContact CB-CG 4.38Å; Q78-N118 PolarHBondContact NE2-ND2 3.19Å; Q78-N118 PolarHBondContact OE1-ND2 3.38Å; Q78-N118 PolarHBondContact OE1-OD1 2.9Å
79	G	93.4	Very high	96.2	Very high	41 Å²	41	61.6 Å²	61.6	42%	0.423	31%	0.306	S	S	.	.	S	Bend	trans	76.7	12.1	-178.1	0	0	0	0	0	113.7	Y75 D76	Y75-G79 WeakPolarHBondContact CD1-O 3.4Å; D76-G79 PolarHBondContact O-N 2.74Å; D76-G79 PolarHBondContact OD1-N 2.91Å
80	Q	94.4	Very high	96.2	Very high	92 Å²	92	59.1 Å²	59.1	43%	0.43	30%	0.295	S	S	.	.			trans	-80.6	143.2	176.2	-61.8	-55.4	-55.3	0	0	110.5	Y75 D76 Q78	Y75-Q80 CarbonylContact C-O 3.55Å; Y75-Q80 WeakPolarHBondContact CA-O 3.4Å; D76-Q80 PolarHBondContact N-O 2.84Å; D76-Q80 PolarHBondContact OD1-N 2.88Å; Q78-Q80 VanDerWaalsContact C-N 3.28Å; Q78-Q80 HydrophobicContact CB-CG 4.38Å
81	P	94.6	Very high	96.1	Very high	86 Å²	86	57.6 Å²	57.6	56%	0.558	29%	0.29	S	S	*	.	B	Isolated β-bridge	trans	-63.2	142.7	174.1	28.3	-34.1	0	0	0	110.5	Y75	Y75-P81 HydrophobicContact CD1-CB 4.43Å; Y75-P81 HydrophobicContact CE1-CB 4.28Å
82	V	95.9	Very high	96.1	Very high	13 Å²	13	56.1 Å²	56.1	8%	0.079	28%	0.28	C	S	.	.			trans	-110	123.4	179.5	-178.9	0	0	0	0	109	L49 L74 D76 L114 Y116	L49-V82 HydrophobicContact CD2-CB 4.16Å; L49-V82 HydrophobicContact CD2-CG1 4.21Å; L49-V82 HydrophobicContact CD2-CG2 3.94Å; L74-V82 HydrophobicContact CB-CB 4.39Å; L74-V82 PolarHBondContact O-N 3.37Å; D76-V82 HydrophobicContact CB-CG2 3.79Å; V82-L114 HydrophobicContact CG1-CB 3.8Å; V82-L114 HydrophobicContact CG1-CD1 4.3Å; V82-L114 HydrophobicContact CG1-CD2 4.2Å; V82-L114 HydrophobicContact CG1-CG 4.32Å; V82-Y116 HydrophobicContact CG1-CD1 4.2Å; V82-Y116 HydrophobicContact CG1-CE1 4.08Å; V82-Y116 HydrophobicContact CG1-CE2 4.36Å; V82-Y116 HydrophobicContact CG1-CG 4.42Å; V82-Y116 HydrophobicContact CG2-CD1 3.78Å; V82-Y116 HydrophobicContact CG2-CE1 3.72Å
83	E	96	Very high	96	Very high	57 Å²	57	54 Å²	54	27%	0.266	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	140	178.5	-176.5	-177.8	167.4	0	0	109.8	L114 L115 R186	E83-L114 CarbonylContact O-C 3.55Å; E83-L114 WeakPolarHBondContact O-CA 3.46Å; E83-L115 HydrophobicContact CB-CB 4.23Å; E83-L115 PolarHBondContact N-O 2.81Å; E83-L115 PolarHBondContact O-N 2.89Å; E83-R186 HydrophobicContact CG-CB 4.29Å; E83-R186 HydrophobicContact CG-CG 4.29Å; E83-R186 VanDerWaalsContact OE1-CD 3.3Å; E83-R186 WeakPolarHBondContact OE1-CD 3.42Å; E83-R186 IonicContact OE1-CZ 3.62Å; E83-R186 IonicContact OE1-NE 3.75Å; E83-R186 IonicContact OE1-NH1 2.87Å; E83-R186 PolarHBondContact OE1-NH1 3.46Å
84	I	96.6	Very high	95.8	Very high	35 Å²	35	54.5 Å²	54.5	18%	0.179	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	116.6	176.2	-52.8	173.6	0	0	0	107.8	L74 T87 L114 I183	L74-I84 HydrophobicContact CD1-CD1 3.83Å; L74-I84 HydrophobicContact CD1-CG1 4.23Å; L74-I84 HydrophobicContact CG-CD1 4.37Å; I84-T87 HydrophobicContact CG2-CG2 3.6Å; I84-L114 HydrophobicContact CB-CD2 4.5Å; I84-L114 HydrophobicContact CG1-CD2 3.89Å; I84-L114 HydrophobicContact CG2-CD2 4.49Å; I84-I183 HydrophobicContact CB-CD1 4.49Å; I84-I183 HydrophobicContact CB-CG1 4.3Å; I84-I183 HydrophobicContact CG2-CD1 4.02Å; I84-I183 HydrophobicContact CG2-CG1 3.96Å; I84-I183 WeakPolarHBondContact O-CD1 3.47Å
85	E	95.9	Very high	95.5	Very high	36 Å²	36	61.3 Å²	61.3	17%	0.168	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-36.3	-179.9	-72.2	-174.5	138.5	0	0	112.3	Q113 L115 R122	E85-Q113 HydrophobicContact CB-CG 4.4Å; E85-Q113 PolarHBondContact N-O 2.83Å; E85-Q113 PolarHBondContact OE2-NE2 3.22Å; E85-L115 HydrophobicContact CG-CB 4.2Å; E85-R122 VanDerWaalsContact CD-NE 3.34Å; E85-R122 IonicContact OE1-CZ 3.95Å; E85-R122 IonicContact OE1-NE 3.71Å; E85-R122 PolarHBondContact OE1-NE 3.23Å; E85-R122 IonicContact OE1-NH2 2.85Å; E85-R122 PolarHBondContact OE1-NH2 3.1Å; E85-R122 VanDerWaalsContact OE2-CD 3.3Å; E85-R122 WeakPolarHBondContact OE2-CD 3.19Å; E85-R122 IonicContact OE2-CZ 3.06Å; E85-R122 IonicContact OE2-NE 3.19Å; E85-R122 PolarHBondContact OE2-NE 2.84Å
86	R	96.8	Very high	95.2	Very high	172 Å²	172	66 Å²	66	65%	0.649	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.7	149.7	179.7	-57.9	-174.7	178.1	178	-2.7	111.5	L112 Q113	R86-L112 WeakPolarHBondContact O-CA 3.35Å; R86-Q113 HydrophobicContact CB-CB 3.83Å; R86-Q113 HydrophobicContact CG-CB 4.31Å; R86-Q113 PolarHBondContact N-O 2.9Å; R86-Q113 PolarHBondContact O-N 2.89Å
87	T	97.8	Very high	94.8	Very high	31 Å²	31	70.8 Å²	70.8	19%	0.19	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	145.8	175	60.7	0	0	0	0	108.7	I84 R111 L112 P181 I183	I84-T87 HydrophobicContact CG2-CG2 3.6Å; T87-R111 CarbonylContact C-O 3.58Å; T87-R111 WeakPolarHBondContact CA-O 3.48Å; T87-L112 HydrophobicContact CG2-CD2 3.73Å; T87-P181 WeakPolarHBondContact CB-O 3.48Å; T87-P181 HydrophobicContact CG2-CB 4.19Å; T87-P181 PolarHBondContact OG1-O 2.82Å; T87-I183 HydrophobicContact CG2-CD1 4.05Å; T87-I183 HydrophobicContact CG2-CG1 3.77Å
88	S	98.1	Very high	94.7	Very high	50 Å²	50	64.2 Å²	64.2	35%	0.35	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	132.2	174.5	-171.3	0	0	0	0	109	Y110 R111	S88-Y110 CarbonylContact O-C 3.56Å; S88-Y110 VanDerWaalsContact O-CA 3.24Å; S88-Y110 WeakPolarHBondContact O-CA 3.47Å; S88-R111 PolarHBondContact N-O 3.07Å; S88-R111 PolarHBondContact O-N 2.99Å
89	Y	98.1	Very high	94.4	Very high	57 Å²	57	66 Å²	66	22%	0.224	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	136.8	156.1	168.6	-95.3	0	0	0	108.8	D91 F92 I108 Y110 T157 D180	Y89-D91 WeakPolarHBondContact OH-CA 3.12Å; Y89-F92 HydrophobicContact CE2-CE1 4.49Å; Y89-F92 HydrophobicContact CE2-CE2 4.48Å; Y89-F92 HydrophobicContact CE2-CZ 4.32Å; Y89-F92 WeakPolarHBondContact OH-CD2 3.48Å; Y89-F92 WeakPolarHBondContact OH-CE2 3.26Å; Y89-I108 HydrophobicContact CD2-CG2 3.65Å; Y89-I108 HydrophobicContact CE2-CG2 3.69Å; Y89-Y110 HydrophobicContact CD2-CE1 4.24Å; Y89-T157 HydrophobicContact CD2-CG2 4.09Å; Y89-T157 HydrophobicContact CE2-CG2 4.05Å; Y89-D180 WeakPolarHBondContact CB-OD1 3.42Å; Y89-D180 PolarHBondContact N-OD1 3.3Å
90	I	97.5	Very high	94	Very high	61 Å²	61	69.9 Å²	69.9	31%	0.313	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	-61.9	177.1	-55.7	-62.1	0	0	0	109.3	H109 R111	I90-H109 PolarHBondContact N-O 2.92Å; I90-R111 HydrophobicContact CD1-CB 3.65Å; I90-R111 HydrophobicContact CG1-CB 3.69Å
91	D	96.8	Very high	93.3	Very high	30 Å²	30	68.8 Å²	68.8	16%	0.16	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.3	-173.6	-177.6	49.1	50	0	0	0	112.7	Y89 K97 H109	Y89-D91 WeakPolarHBondContact OH-CA 3.12Å; D91-K97 IonicContact OD1-NZ 2.74Å; D91-K97 IonicContact OD2-NZ 2.8Å; D91-K97 PolarHBondContact OD2-NZ 3.28Å; D91-H109 PolarHBondContact N-O 2.98Å; D91-H109 PolarHBondContact O-N 3.37Å; D91-H109 VanDerWaalsContact OD1-CB 3.29Å; D91-H109 WeakPolarHBondContact OD1-CB 3.4Å; D91-H109 IonicContact OD1-CG 3.89Å; D91-H109 IonicContact OD1-ND1 3.35Å; D91-H109 PolarHBondContact OD1-ND1 2.99Å; D91-H109 VanDerWaalsContact OD1-ND1 3.12Å; D91-H109 IonicContact OD2-ND1 3.18Å
92	F	97.3	Very high	93	Very high	12 Å²	12	68.2 Å²	68.2	5%	0.053	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	150.9	170.9	-64.4	-74.9	0	0	0	111.3	Y89 E94 G107 I108 L155 T157 I160	Y89-F92 HydrophobicContact CE2-CE1 4.49Å; Y89-F92 HydrophobicContact CE2-CE2 4.48Å; Y89-F92 HydrophobicContact CE2-CZ 4.32Å; Y89-F92 WeakPolarHBondContact OH-CD2 3.48Å; Y89-F92 WeakPolarHBondContact OH-CE2 3.26Å; F92-E94 HydrophobicContact CB-CG 4.48Å; F92-E94 PolarHBondContact O-N 2.97Å; F92-G107 WeakPolarHBondContact CA-O 3.33Å; F92-I108 HydrophobicContact CD1-CG1 3.95Å; F92-I108 HydrophobicContact CE1-CD1 4.38Å; F92-I108 HydrophobicContact CE1-CG1 3.92Å; F92-L155 WeakPolarHBondContact CE1-O 3.12Å; F92-T157 HydrophobicContact CE1-CG2 4.43Å; F92-T157 HydrophobicContact CZ-CG2 4.37Å; F92-I160 HydrophobicContact CE2-CB 4.31Å; F92-I160 HydrophobicContact CE2-CG1 4.29Å; F92-I160 HydrophobicContact CE2-CG2 4.16Å; F92-I160 HydrophobicContact CZ-CB 4.39Å; F92-I160 HydrophobicContact CZ-CG2 3.81Å
93	V	96	Very high	92.8	Very high	6 Å²	6	75.7 Å²	75.7	4%	0.036	37%	0.37	C	S	.	.	S	Bend	trans	-79	99.1	170.4	-176.7	0	0	0	0	108.4	E98 G107 Y128	V93-E98 HydrophobicContact CG1-CG 4.46Å; V93-G107 PolarHBondContact N-O 2.97Å; V93-Y128 HydrophobicContact CG2-CD1 3.87Å; V93-Y128 HydrophobicContact CG2-CE1 4.36Å
94	E	93.4	Very high	92.7	Very high	34 Å²	34	73.1 Å²	73.1	16%	0.159	36%	0.359	C	S	.	.			trans	-153.2	166.1	179.2	61.8	179.2	-139.8	0	0	110.5	F92 D96 K97 R153	F92-E94 HydrophobicContact CB-CG 4.48Å; F92-E94 PolarHBondContact O-N 2.97Å; E94-D96 PolarHBondContact O-N 2.86Å; E94-K97 WeakPolarHBondContact O-CB 3.37Å; E94-K97 PolarHBondContact O-N 3.42Å; E94-K97 VanDerWaalsContact O-N 3.08Å; E94-R153 IonicContact OE1-NH2 2.89Å; E94-R153 PolarHBondContact OE1-NH2 3.2Å; E94-R153 IonicContact OE2-CZ 3.18Å; E94-R153 IonicContact OE2-NE 3.25Å; E94-R153 PolarHBondContact OE2-NE 2.74Å; E94-R153 IonicContact OE2-NH2 3.52Å; E94-R153 PolarHBondContact OE2-NH2 2.88Å
95	K	90.6	Very high	92.6	Very high	155 Å²	155	72.9 Å²	72.9	67%	0.674	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	55	-121.5	174.9	-57.1	169.5	-175.4	154	0	111.9	K97 E98	K95-K97 PolarHBondContact O-N 3.2Å; K95-E98 WeakPolarHBondContact O-CB 3.44Å; K95-E98 PolarHBondContact O-N 2.81Å
96	D	89.6	Confident	92.7	Very high	145 Å²	145	71.2 Å²	71.2	78%	0.775	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-71	-10.8	-177.8	52.7	-55.7	0	0	0	114.1	E94	E94-D96 PolarHBondContact O-N 2.86Å
97	K	88.2	Confident	92.7	Very high	104 Å²	104	63.1 Å²	63.1	45%	0.452	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-91.9	-5.3	176.6	-62.5	175.7	-175	168.7	0	113.2	D91 E94 K95	D91-K97 IonicContact OD1-NZ 2.74Å; D91-K97 IonicContact OD2-NZ 2.8Å; D91-K97 PolarHBondContact OD2-NZ 3.28Å; E94-K97 WeakPolarHBondContact O-CB 3.37Å; E94-K97 PolarHBondContact O-N 3.42Å; E94-K97 VanDerWaalsContact O-N 3.08Å; K95-K97 PolarHBondContact O-N 3.2Å
98	E	89.4	Confident	92.7	Very high	13 Å²	13	62.1 Å²	62.1	6%	0.061	31%	0.313	C	S	.	.	S	Bend	trans	-74.2	140.7	176.3	-71.6	-87.7	-151.7	0	0	111.1	V93 K95 E102 T104 N105 R130	V93-E98 HydrophobicContact CG1-CG 4.46Å; K95-E98 WeakPolarHBondContact O-CB 3.44Å; K95-E98 PolarHBondContact O-N 2.81Å; E98-E102 WeakPolarHBondContact CB-O 3.3Å; E98-E102 WeakPolarHBondContact CG-O 3.43Å; E98-T104 VanDerWaalsContact CD-OG1 3.23Å; E98-T104 WeakPolarHBondContact OE1-CA 3.49Å; E98-T104 WeakPolarHBondContact OE1-CB 3.31Å; E98-T104 PolarHBondContact OE1-N 3Å; E98-T104 PolarHBondContact OE1-OG1 3Å; E98-T104 PolarHBondContact OE2-OG1 3.42Å; E98-N105 PolarHBondContact OE1-N 3.36Å; E98-R130 IonicContact OE2-CZ 3.54Å; E98-R130 IonicContact OE2-NH2 2.81Å; E98-R130 PolarHBondContact OE2-NH2 3.32Å
99	Y	85.1	Confident	92.7	Very high	155 Å²	155	60.3 Å²	60.3	61%	0.608	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-69.9	136.6	177.1	-174.8	-109.6	0	0	0	110.1	G101 E102	Y99-G101 PolarHBondContact O-N 2.93Å; Y99-E102 WeakPolarHBondContact O-CB 3.25Å; Y99-E102 WeakPolarHBondContact O-CG 3.49Å; Y99-E102 PolarHBondContact O-N 2.81Å; Y99-E102 VanDerWaalsContact O-N 3.07Å
100	N	85.6	Confident	92.7	Very high	124 Å²	124	59 Å²	59	66%	0.663	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	53.2	22.4	178.2	-69.1	-8.4	0	0	0	115.8	E102	N100-E102 PolarHBondContact O-N 2.83Å
101	G	80.9	Confident	92.8	Very high	69 Å²	69	59.9 Å²	59.9	71%	0.711	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	70.1	17.6	-178.6	0	0	0	0	0	114.2	Y99	Y99-G101 PolarHBondContact O-N 2.93Å
102	E	87.8	Confident	92.8	Very high	73 Å²	73	58.7 Å²	58.7	34%	0.341	29%	0.287	S	S	.	.			trans	-61.5	155.4	170.8	-65.8	-179.6	170	0	0	110.8	E98 Y99 N100 T104	E98-E102 WeakPolarHBondContact CB-O 3.3Å; E98-E102 WeakPolarHBondContact CG-O 3.43Å; Y99-E102 WeakPolarHBondContact O-CB 3.25Å; Y99-E102 WeakPolarHBondContact O-CG 3.49Å; Y99-E102 PolarHBondContact O-N 2.81Å; Y99-E102 VanDerWaalsContact O-N 3.07Å; N100-E102 PolarHBondContact O-N 2.83Å; E102-T104 HydrophobicContact CB-CG2 3.93Å
103	K	90.3	Very high	92.8	Very high	171 Å²	171	59.2 Å²	59.2	74%	0.743	29%	0.289	S	S	*	.			trans	-120.9	67.5	177.3	-166.8	-180	179	-178.5	0	110
104	T	94.5	Very high	92.8	Very high	3 Å²	3	58.9 Å²	58.9	2%	0.018	29%	0.288	C	S	.	.			trans	-85.6	-31.7	-175.8	73.2	0	0	0	0	111.9	E98 E102 N106 R130 P139 L141 Y142	E98-T104 VanDerWaalsContact CD-OG1 3.23Å; E98-T104 WeakPolarHBondContact OE1-CA 3.49Å; E98-T104 WeakPolarHBondContact OE1-CB 3.31Å; E98-T104 PolarHBondContact OE1-N 3Å; E98-T104 PolarHBondContact OE1-OG1 3Å; E98-T104 PolarHBondContact OE2-OG1 3.42Å; E102-T104 HydrophobicContact CB-CG2 3.93Å; T104-N106 PolarHBondContact O-N 3.21Å; T104-N106 WeakPolarHBondContact OG1-CB 3.36Å; T104-N106 PolarHBondContact OG1-N 2.92Å; T104-R130 PolarHBondContact OG1-NH2 3.25Å; T104-P139 HydrophobicContact CG2-CB 4.04Å; T104-L141 HydrophobicContact CG2-CG 4.41Å; T104-Y142 PolarHBondContact O-N 2.89Å
105	N	95.6	Very high	92.9	Very high	30 Å²	30	58.6 Å²	58.6	16%	0.16	29%	0.287	C	S	.	.			trans	49.2	41.3	-167.4	-62.8	-19.3	0	0	0	111.3	E98 C152 R153 V154	E98-N105 PolarHBondContact OE1-N 3.36Å; N105-C152 VanDerWaalsContact CB-O 3.29Å; N105-C152 WeakPolarHBondContact CB-O 3.36Å; N105-C152 PolarHBondContact ND2-O 3.02Å; N105-R153 HydrophobicContact CB-CG 4.48Å; N105-R153 WeakPolarHBondContact O-CA 3.47Å; N105-V154 PolarHBondContact O-N 2.91Å
106	N	97	Very high	93.1	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.256	C	S	.	.			trans	-128.6	96.7	-172.1	176.5	6	0	0	0	110.2	T104 R130 L131 I140 V154	T104-N106 PolarHBondContact O-N 3.21Å; T104-N106 WeakPolarHBondContact OG1-CB 3.36Å; T104-N106 PolarHBondContact OG1-N 2.92Å; N106-R130 PolarHBondContact O-NE 3.03Å; N106-R130 PolarHBondContact O-NH2 3.37Å; N106-L131 PolarHBondContact ND2-O 2.82Å; N106-L131 PolarHBondContact OD1-N 3.47Å; N106-I140 VanDerWaalsContact CB-O 3.22Å; N106-I140 WeakPolarHBondContact CB-O 3.44Å; N106-I140 PolarHBondContact ND2-N 3.18Å; N106-I140 VanDerWaalsContact ND2-N 3.14Å; N106-I140 PolarHBondContact ND2-O 3.24Å; N106-V154 HydrophobicContact CB-CB 3.77Å; N106-V154 HydrophobicContact CB-CG1 4.37Å; N106-V154 HydrophobicContact CB-CG2 3.72Å
107	G	97.3	Very high	92.9	Very high	2 Å²	2	47.8 Å²	47.8	2%	0.021	24%	0.242	C	C	.	.			trans	158.9	156.9	163.9	0	0	0	0	0	112.4	F92 V93 V129	F92-G107 WeakPolarHBondContact CA-O 3.33Å; V93-G107 PolarHBondContact N-O 2.97Å; G107-V129 CarbonylContact C-O 3.5Å; G107-V129 WeakPolarHBondContact CA-O 3.45Å
108	I	98.2	Very high	92.2	Very high	10 Å²	10	44.9 Å²	44.9	5%	0.051	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	135.5	168.5	-53.2	171.7	0	0	0	107.8	Y89 F92 Y110 Y128 V129 L155 T157	Y89-I108 HydrophobicContact CD2-CG2 3.65Å; Y89-I108 HydrophobicContact CE2-CG2 3.69Å; F92-I108 HydrophobicContact CD1-CG1 3.95Å; F92-I108 HydrophobicContact CE1-CD1 4.38Å; F92-I108 HydrophobicContact CE1-CG1 3.92Å; I108-Y110 HydrophobicContact CB-CE2 3.69Å; I108-Y110 WeakPolarHBondContact CD1-OH 3.23Å; I108-Y110 HydrophobicContact CG2-CD1 4.37Å; I108-Y110 HydrophobicContact CG2-CD2 4.15Å; I108-Y110 HydrophobicContact CG2-CE1 3.72Å; I108-Y110 HydrophobicContact CG2-CE2 3.48Å; I108-Y110 VanDerWaalsContact CG2-CE2 3.48Å; I108-Y110 WeakPolarHBondContact CG2-OH 3.48Å; I108-Y128 WeakPolarHBondContact O-CA 3.32Å; I108-V129 PolarHBondContact N-O 3.05Å; I108-V129 PolarHBondContact O-N 2.93Å; I108-L155 HydrophobicContact CD1-CB 3.98Å; I108-L155 HydrophobicContact CG1-CB 3.96Å; I108-T157 HydrophobicContact CD1-CG2 3.91Å
109	H	98.1	Very high	91.4	Very high	13 Å²	13	49.4 Å²	49.4	6%	0.06	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	126.8	178.1	174.3	-145.6	0	0	0	109.5	I90 D91 D126 Y128	I90-H109 PolarHBondContact N-O 2.92Å; D91-H109 PolarHBondContact N-O 2.98Å; D91-H109 PolarHBondContact O-N 3.37Å; D91-H109 VanDerWaalsContact OD1-CB 3.29Å; D91-H109 WeakPolarHBondContact OD1-CB 3.4Å; D91-H109 IonicContact OD1-CG 3.89Å; D91-H109 IonicContact OD1-ND1 3.35Å; D91-H109 PolarHBondContact OD1-ND1 2.99Å; D91-H109 VanDerWaalsContact OD1-ND1 3.12Å; D91-H109 IonicContact OD2-ND1 3.18Å; H109-D126 IonicContact CE1-OD1 3.12Å; H109-D126 WeakPolarHBondContact NE2-CB 3.31Å; H109-D126 IonicContact NE2-OD1 3.71Å; H109-D126 PolarHBondContact NE2-OD1 3.31Å; H109-Y128 HydrophobicContact CB-CD1 3.97Å; H109-Y128 HydrophobicContact CB-CE1 3.82Å; H109-Y128 AromaticContact CD2-CD1 3.97Å; H109-Y128 AromaticContact CD2-CE1 3.43Å; H109-Y128 VanDerWaalsContact CD2-CE1 3.43Å; H109-Y128 WeakPolarHBondContact CD2-CE1 3.42Å; H109-Y128 AromaticContact CD2-CZ 3.51Å; H109-Y128 AromaticContact CG-CE1 3.59Å; H109-Y128 AromaticContact NE2-CZ 3.77Å
110	Y	98.4	Very high	91.4	Very high	28 Å²	28	43.4 Å²	43.4	11%	0.11	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	159.5	179.1	-57.1	-81.2	0	0	0	110.1	S88 Y89 I108 D126 L127 V129 S179 P181	S88-Y110 CarbonylContact O-C 3.56Å; S88-Y110 VanDerWaalsContact O-CA 3.24Å; S88-Y110 WeakPolarHBondContact O-CA 3.47Å; Y89-Y110 HydrophobicContact CD2-CE1 4.24Å; I108-Y110 HydrophobicContact CB-CE2 3.69Å; I108-Y110 WeakPolarHBondContact CD1-OH 3.23Å; I108-Y110 HydrophobicContact CG2-CD1 4.37Å; I108-Y110 HydrophobicContact CG2-CD2 4.15Å; I108-Y110 HydrophobicContact CG2-CE1 3.72Å; I108-Y110 HydrophobicContact CG2-CE2 3.48Å; I108-Y110 VanDerWaalsContact CG2-CE2 3.48Å; I108-Y110 WeakPolarHBondContact CG2-OH 3.48Å; Y110-D126 CarbonylContact O-C 3.53Å; Y110-D126 WeakPolarHBondContact O-CA 3.44Å; Y110-L127 PolarHBondContact N-O 3.31Å; Y110-L127 PolarHBondContact O-N 3.15Å; Y110-V129 HydrophobicContact CD2-CG2 4.11Å; Y110-V129 HydrophobicContact CE2-CB 4.17Å; Y110-V129 HydrophobicContact CE2-CG2 3.71Å; Y110-S179 WeakPolarHBondContact CE1-O 3.39Å; Y110-P181 HydrophobicContact CD1-CG 3.58Å; Y110-P181 HydrophobicContact CE1-CG 3.78Å; Y110-P181 HydrophobicContact CG-CG 4.05Å
111	R	98.3	Very high	91.6	Very high	81 Å²	81	39.9 Å²	39.9	31%	0.306	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	130.9	171.5	-176.2	159.7	-77.3	-163.8	10.6	110	T87 S88 I90 E124 D126	T87-R111 CarbonylContact C-O 3.58Å; T87-R111 WeakPolarHBondContact CA-O 3.48Å; S88-R111 PolarHBondContact N-O 3.07Å; S88-R111 PolarHBondContact O-N 2.99Å; I90-R111 HydrophobicContact CD1-CB 3.65Å; I90-R111 HydrophobicContact CG1-CB 3.69Å; R111-E124 WeakPolarHBondContact CD-OE1 3.31Å; R111-E124 HydrophobicContact CG-CG 3.59Å; R111-E124 IonicContact CZ-OE2 3.86Å; R111-E124 IonicContact NE-OE2 3.41Å; R111-E124 IonicContact NH1-OE2 3.41Å; R111-E124 PolarHBondContact NH1-OE2 3.38Å; R111-D126 IonicContact CZ-OD1 3.61Å; R111-D126 IonicContact NE-OD1 2.78Å; R111-D126 PolarHBondContact NE-OD1 3.35Å; R111-D126 IonicContact NH2-OD1 3.89Å; R111-D126 PolarHBondContact NH2-OD1 2.61Å; R111-D126 IonicContact NH2-OD2 2.84Å
112	L	97.9	Very high	92.3	Very high	4 Å²	4	40 Å²	40	2%	0.021	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	134.3	-179.3	-49.7	-178.7	0	0	0	109.5	L74 R86 T87 L114 E124 Q125 L127	L74-L112 HydrophobicContact CD1-CD1 3.86Å; R86-L112 WeakPolarHBondContact O-CA 3.35Å; T87-L112 HydrophobicContact CG2-CD2 3.73Å; L112-L114 HydrophobicContact CB-CD2 3.78Å; L112-L114 HydrophobicContact CB-CG 4.15Å; L112-L114 HydrophobicContact CD1-CD2 4.16Å; L112-E124 WeakPolarHBondContact O-CA 3.37Å; L112-Q125 PolarHBondContact N-O 2.98Å; L112-Q125 PolarHBondContact O-N 3.43Å; L112-L127 HydrophobicContact CD1-CB 3.98Å; L112-L127 HydrophobicContact CD1-CD2 3.93Å; L112-L127 HydrophobicContact CD1-CG 4.43Å; L112-L127 HydrophobicContact CG-CB 4.13Å
113	Q	97.1	Very high	92.7	Very high	23 Å²	23	36.6 Å²	36.6	11%	0.107	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	115.6	162.6	-173	178.7	-41.8	0	0	107.8	I36 E85 R86 T123	I36-Q113 HydrophobicContact CD1-CG 4.29Å; E85-Q113 HydrophobicContact CB-CG 4.4Å; E85-Q113 PolarHBondContact N-O 2.83Å; E85-Q113 PolarHBondContact OE2-NE2 3.22Å; R86-Q113 HydrophobicContact CB-CB 3.83Å; R86-Q113 HydrophobicContact CG-CB 4.31Å; R86-Q113 PolarHBondContact N-O 2.9Å; R86-Q113 PolarHBondContact O-N 2.89Å; Q113-T123 CarbonylContact C-O 3.53Å; Q113-T123 WeakPolarHBondContact CA-O 3.42Å
114	L	96	Very high	93	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	145.4	-173.9	-56.9	178.1	0	0	0	110.4	L49 L74 V82 E83 I84 L112 Y116 R122 T123 Q125	L49-L114 HydrophobicContact CD1-CD1 3.83Å; L49-L114 HydrophobicContact CD2-CD1 3.89Å; L49-L114 HydrophobicContact CG-CD1 3.78Å; L74-L114 HydrophobicContact CD1-CD2 4.15Å; V82-L114 HydrophobicContact CG1-CB 3.8Å; V82-L114 HydrophobicContact CG1-CD1 4.3Å; V82-L114 HydrophobicContact CG1-CD2 4.2Å; V82-L114 HydrophobicContact CG1-CG 4.32Å; E83-L114 CarbonylContact O-C 3.55Å; E83-L114 WeakPolarHBondContact O-CA 3.46Å; I84-L114 HydrophobicContact CB-CD2 4.5Å; I84-L114 HydrophobicContact CG1-CD2 3.89Å; I84-L114 HydrophobicContact CG2-CD2 4.49Å; L112-L114 HydrophobicContact CB-CD2 3.78Å; L112-L114 HydrophobicContact CB-CG 4.15Å; L112-L114 HydrophobicContact CD1-CD2 4.16Å; L114-Y116 HydrophobicContact CB-CE2 3.92Å; L114-Y116 HydrophobicContact CD1-CE2 4.41Å; L114-R122 CarbonylContact O-C 3.55Å; L114-R122 WeakPolarHBondContact O-CA 3.24Å; L114-T123 PolarHBondContact N-O 3.33Å; L114-T123 PolarHBondContact O-N 2.85Å; L114-Q125 HydrophobicContact CD1-CB 3.57Å; L114-Q125 HydrophobicContact CD1-CG 3.95Å; L114-Q125 HydrophobicContact CG-CB 4.2Å
115	L	95.5	Very high	93.1	Very high	28 Å²	28	34.5 Å²	34.5	15%	0.147	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	117.6	172.2	177.3	68.6	0	0	0	108.8	E83 E85 G120 R122	E83-L115 HydrophobicContact CB-CB 4.23Å; E83-L115 PolarHBondContact N-O 2.81Å; E83-L115 PolarHBondContact O-N 2.89Å; E85-L115 HydrophobicContact CG-CB 4.2Å; L115-G120 WeakPolarHBondContact CD1-O 3.39Å; L115-R122 HydrophobicContact CD1-CG 3.69Å
116	Y	93.5	Very high	93.1	Very high	3 Å²	3	35.7 Å²	35.7	1%	0.012	20%	0.199	C	C	.	.			trans	-91.1	146.5	178.8	-65.8	-98.6	0	0	0	110.6	V47 G48 L49 D76 V82 L114 N118 G120 I121 T123	V47-Y116 HydrophobicContact CG1-CD1 3.65Å; V47-Y116 HydrophobicContact CG1-CD2 3.57Å; V47-Y116 HydrophobicContact CG1-CE1 3.89Å; V47-Y116 HydrophobicContact CG1-CE2 3.83Å; V47-Y116 HydrophobicContact CG1-CG 3.48Å; V47-Y116 VanDerWaalsContact CG1-CG 3.48Å; G48-Y116 WeakPolarHBondContact CA-OH 3.27Å; L49-Y116 PolarHBondContact N-OH 3.22Å; D76-Y116 HydrophobicContact CB-CD1 3.77Å; D76-Y116 HydrophobicContact CB-CE1 3.83Å; V82-Y116 HydrophobicContact CG1-CD1 4.2Å; V82-Y116 HydrophobicContact CG1-CE1 4.08Å; V82-Y116 HydrophobicContact CG1-CE2 4.36Å; V82-Y116 HydrophobicContact CG1-CG 4.42Å; V82-Y116 HydrophobicContact CG2-CD1 3.78Å; V82-Y116 HydrophobicContact CG2-CE1 3.72Å; L114-Y116 HydrophobicContact CB-CE2 3.92Å; L114-Y116 HydrophobicContact CD1-CE2 4.41Å; Y116-N118 PolarHBondContact O-N 2.82Å; Y116-N118 VanDerWaalsContact O-N 3.14Å; Y116-G120 WeakPolarHBondContact O-CA 3.36Å; Y116-G120 PolarHBondContact O-N 3.19Å; Y116-I121 PolarHBondContact N-O 3.47Å; Y116-T123 HydrophobicContact CD2-CG2 4.04Å; Y116-T123 HydrophobicContact CE2-CG2 3.55Å; Y116-T123 WeakPolarHBondContact CE2-OG1 3.26Å
117	S	86.7	Confident	93.1	Very high	69 Å²	69	37.7 Å²	37.7	48%	0.483	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-26.6	174.6	51.4	0	0	0	0	113.2	A119	S117-A119 PolarHBondContact O-N 3.06Å
118	N	72.6	Confident	93.2	Very high	44 Å²	44	43.7 Å²	43.7	24%	0.235	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	95	-175.3	-58.9	-15.7	0	0	0	109.9	Q78 Y116 G120 I121	Q78-N118 PolarHBondContact NE2-ND2 3.19Å; Q78-N118 PolarHBondContact OE1-ND2 3.38Å; Q78-N118 PolarHBondContact OE1-OD1 2.9Å; Y116-N118 PolarHBondContact O-N 2.82Å; Y116-N118 VanDerWaalsContact O-N 3.14Å; N118-G120 PolarHBondContact O-N 3.17Å; N118-G120 VanDerWaalsContact O-N 3.09Å; N118-I121 WeakPolarHBondContact O-CD1 3.19Å; N118-I121 WeakPolarHBondContact O-CG1 3.46Å; N118-I121 PolarHBondContact O-N 2.94Å
119	A	72.1	Confident	93.2	Very high	107 Å²	107	44.5 Å²	44.5	88%	0.884	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.3	18.8	178.2	0	0	0	0	0	115.6	S117 I121	S117-A119 PolarHBondContact O-N 3.06Å; A119-I121 VanDerWaalsContact C-N 3.34Å
120	G	85.1	Confident	93.1	Very high	30 Å²	30	47.5 Å²	47.5	31%	0.309	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	29.8	179	0	0	0	0	0	113.7	L115 Y116 N118 R122	L115-G120 WeakPolarHBondContact CD1-O 3.39Å; Y116-G120 WeakPolarHBondContact O-CA 3.36Å; Y116-G120 PolarHBondContact O-N 3.19Å; N118-G120 PolarHBondContact O-N 3.17Å; N118-G120 VanDerWaalsContact O-N 3.09Å; G120-R122 PolarHBondContact O-N 3.32Å
121	I	91.4	Very high	93.1	Very high	50 Å²	50	49.2 Å²	49.2	26%	0.256	26%	0.259	S	S	.	.			trans	-64.4	128.5	176.1	-68.2	167.7	0	0	0	109.3	L37 V47 Y116 N118 A119 T123	L37-I121 HydrophobicContact CD1-CG2 3.89Å; V47-I121 HydrophobicContact CG1-CG2 4.28Å; V47-I121 HydrophobicContact CG2-CD1 3.87Å; Y116-I121 PolarHBondContact N-O 3.47Å; N118-I121 WeakPolarHBondContact O-CD1 3.19Å; N118-I121 WeakPolarHBondContact O-CG1 3.46Å; N118-I121 PolarHBondContact O-N 2.94Å; A119-I121 VanDerWaalsContact C-N 3.34Å; I121-T123 HydrophobicContact CG2-CG2 4.17Å
122	R	95.4	Very high	93	Very high	72 Å²	72	49.7 Å²	49.7	27%	0.272	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	138.7	173.5	-71	-178.9	174.2	84.4	7.9	110.6	I36 L37 E85 L114 L115 G120	I36-R122 HydrophobicContact CG1-CB 4.1Å; L37-R122 PolarHBondContact N-O 3.41Å; E85-R122 VanDerWaalsContact CD-NE 3.34Å; E85-R122 IonicContact OE1-CZ 3.95Å; E85-R122 IonicContact OE1-NE 3.71Å; E85-R122 PolarHBondContact OE1-NE 3.23Å; E85-R122 IonicContact OE1-NH2 2.85Å; E85-R122 PolarHBondContact OE1-NH2 3.1Å; E85-R122 VanDerWaalsContact OE2-CD 3.3Å; E85-R122 WeakPolarHBondContact OE2-CD 3.19Å; E85-R122 IonicContact OE2-CZ 3.06Å; E85-R122 IonicContact OE2-NE 3.19Å; E85-R122 PolarHBondContact OE2-NE 2.84Å; L114-R122 CarbonylContact O-C 3.55Å; L114-R122 WeakPolarHBondContact O-CA 3.24Å; L115-R122 HydrophobicContact CD1-CG 3.69Å; G120-R122 PolarHBondContact O-N 3.32Å
123	T	95.1	Very high	93	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.006	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	152.3	172.9	76	0	0	0	0	112.6	L37 A42 Q113 L114 Y116 I121	L37-T123 CarbonylContact O-C 3.1Å; L37-T123 WeakPolarHBondContact O-CA 3.49Å; A42-T123 HydrophobicContact CB-CG2 3.47Å; A42-T123 VanDerWaalsContact CB-CG2 3.47Å; Q113-T123 CarbonylContact C-O 3.53Å; Q113-T123 WeakPolarHBondContact CA-O 3.42Å; L114-T123 PolarHBondContact N-O 3.33Å; L114-T123 PolarHBondContact O-N 2.85Å; Y116-T123 HydrophobicContact CD2-CG2 4.04Å; Y116-T123 HydrophobicContact CE2-CG2 3.55Å; Y116-T123 WeakPolarHBondContact CE2-OG1 3.26Å; I121-T123 HydrophobicContact CG2-CG2 4.17Å
124	E	96.6	Very high	93	Very high	83 Å²	83	55.6 Å²	55.6	39%	0.388	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	122.9	162.4	-168.7	168.6	-101.7	0	0	109.4	I36 L37 A39 R111 L112	I36-E124 HydrophobicContact CG2-CB 3.99Å; L37-E124 PolarHBondContact O-N 3.05Å; A39-E124 PolarHBondContact N-O 3.41Å; R111-E124 WeakPolarHBondContact CD-OE1 3.31Å; R111-E124 HydrophobicContact CG-CG 3.59Å; R111-E124 IonicContact CZ-OE2 3.86Å; R111-E124 IonicContact NE-OE2 3.41Å; R111-E124 IonicContact NH1-OE2 3.41Å; R111-E124 PolarHBondContact NH1-OE2 3.38Å; L112-E124 WeakPolarHBondContact O-CA 3.37Å
125	Q	96.3	Very high	93.1	Very high	46 Å²	46	63.2 Å²	63.2	22%	0.215	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	126.7	-173.9	178.2	63.4	70.2	0	0	110.4	A39 L49 L112 L114	A39-Q125 VanDerWaalsContact CB-OE1 3.26Å; L49-Q125 HydrophobicContact CD1-CG 3.93Å; L112-Q125 PolarHBondContact N-O 2.98Å; L112-Q125 PolarHBondContact O-N 3.43Å; L114-Q125 HydrophobicContact CD1-CB 3.57Å; L114-Q125 HydrophobicContact CD1-CG 3.95Å; L114-Q125 HydrophobicContact CG-CB 4.2Å
126	D	97	Very high	93.2	Very high	56 Å²	56	65.8 Å²	65.8	30%	0.299	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	134.9	169.5	-61.6	-45.1	0	0	0	109.9	H109 Y110 R111 Y128	H109-D126 IonicContact CE1-OD1 3.12Å; H109-D126 WeakPolarHBondContact NE2-CB 3.31Å; H109-D126 IonicContact NE2-OD1 3.71Å; H109-D126 PolarHBondContact NE2-OD1 3.31Å; Y110-D126 CarbonylContact O-C 3.53Å; Y110-D126 WeakPolarHBondContact O-CA 3.44Å; R111-D126 IonicContact CZ-OD1 3.61Å; R111-D126 IonicContact NE-OD1 2.78Å; R111-D126 PolarHBondContact NE-OD1 3.35Å; R111-D126 IonicContact NH2-OD1 3.89Å; R111-D126 PolarHBondContact NH2-OD1 2.61Å; R111-D126 IonicContact NH2-OD2 2.84Å; D126-Y128 HydrophobicContact CB-CE2 3.93Å
127	L	97.4	Very high	93.3	Very high	41 Å²	41	72 Å²	72	22%	0.215	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	132.3	177.5	176.6	73.1	0	0	0	109.4	Y110 L112	Y110-L127 PolarHBondContact N-O 3.31Å; Y110-L127 PolarHBondContact O-N 3.15Å; L112-L127 HydrophobicContact CD1-CB 3.98Å; L112-L127 HydrophobicContact CD1-CD2 3.93Å; L112-L127 HydrophobicContact CD1-CG 4.43Å; L112-L127 HydrophobicContact CG-CB 4.13Å
128	Y	97.6	Very high	93.7	Very high	129 Å²	129	73.9 Å²	73.9	51%	0.506	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	133.4	179.3	-61.4	-91.1	0	0	0	110.9	V93 I108 H109 D126	V93-Y128 HydrophobicContact CG2-CD1 3.87Å; V93-Y128 HydrophobicContact CG2-CE1 4.36Å; I108-Y128 WeakPolarHBondContact O-CA 3.32Å; H109-Y128 HydrophobicContact CB-CD1 3.97Å; H109-Y128 HydrophobicContact CB-CE1 3.82Å; H109-Y128 AromaticContact CD2-CD1 3.97Å; H109-Y128 AromaticContact CD2-CE1 3.43Å; H109-Y128 VanDerWaalsContact CD2-CE1 3.43Å; H109-Y128 WeakPolarHBondContact CD2-CE1 3.42Å; H109-Y128 AromaticContact CD2-CZ 3.51Å; H109-Y128 AromaticContact CG-CE1 3.59Å; H109-Y128 AromaticContact NE2-CZ 3.77Å; D126-Y128 HydrophobicContact CB-CE2 3.93Å
129	V	98.1	Very high	94.8	Very high	26 Å²	26	73 Å²	73	16%	0.158	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	118.2	172.9	179.2	0	0	0	0	108	F70 G107 I108 Y110 L155	F70-V129 HydrophobicContact CE1-CG1 4.19Å; F70-V129 HydrophobicContact CZ-CG1 3.87Å; F70-V129 HydrophobicContact CZ-CG2 4.07Å; G107-V129 CarbonylContact C-O 3.5Å; G107-V129 WeakPolarHBondContact CA-O 3.45Å; I108-V129 PolarHBondContact N-O 3.05Å; I108-V129 PolarHBondContact O-N 2.93Å; Y110-V129 HydrophobicContact CD2-CG2 4.11Å; Y110-V129 HydrophobicContact CE2-CB 4.17Å; Y110-V129 HydrophobicContact CE2-CG2 3.71Å; V129-L155 HydrophobicContact CG1-CD1 4.17Å; V129-L155 WeakPolarHBondContact O-CD1 3.41Å
130	R	97.4	Very high	96	Very high	77 Å²	77	71.2 Å²	71.2	29%	0.291	36%	0.36	S	S	.	.			trans	-134	153.3	179.7	-52.6	-175.1	75.3	177.3	6.4	109.9	E98 T104 N106	E98-R130 IonicContact OE2-CZ 3.54Å; E98-R130 IonicContact OE2-NH2 2.81Å; E98-R130 PolarHBondContact OE2-NH2 3.32Å; T104-R130 PolarHBondContact OG1-NH2 3.25Å; N106-R130 PolarHBondContact O-NE 3.03Å; N106-R130 PolarHBondContact O-NH2 3.37Å
131	L	97.6	Very high	96.4	Very high	63 Å²	63	74.7 Å²	74.7	33%	0.33	37%	0.371	S	S	.	.			trans	-94.8	139.9	171.1	-60.9	-172.3	0	0	0	111.1	N106 I140 V154 L155	N106-L131 PolarHBondContact ND2-O 2.82Å; N106-L131 PolarHBondContact OD1-N 3.47Å; L131-I140 HydrophobicContact CB-CB 4.49Å; L131-I140 HydrophobicContact CB-CD1 3.84Å; L131-I140 HydrophobicContact CB-CG1 4.26Å; L131-I140 PolarHBondContact O-N 3.28Å; L131-I140 VanDerWaalsContact O-N 3.07Å; L131-V154 HydrophobicContact CB-CG1 4.17Å; L131-V154 HydrophobicContact CD1-CG1 3.77Å; L131-V154 HydrophobicContact CG-CG1 4.19Å; L131-L155 HydrophobicContact CD1-CD2 3.85Å; L131-L155 HydrophobicContact CD1-CG 4.39Å; L131-L155 HydrophobicContact CD2-CD2 4.23Å; L131-L155 HydrophobicContact CG-CD1 4.19Å; L131-L155 HydrophobicContact CG-CD2 3.83Å; L131-L155 HydrophobicContact CG-CG 4.07Å
132	I	97.6	Very high	96.6	Very high	92 Å²	92	74.6 Å²	74.6	47%	0.472	37%	0.368	S	S	.	.	B	Isolated β-bridge	trans	-123.3	152.4	175.8	62.4	171.7	0	0	0	110.4	S134 K137 Q138	I132-S134 PolarHBondContact O-N 3.35Å; I132-K137 HydrophobicContact CD1-CD 4.22Å; I132-Q138 CarbonylContact C-O 3.52Å; I132-Q138 VanDerWaalsContact CA-O 3.24Å; I132-Q138 WeakPolarHBondContact CA-O 3.34Å; I132-Q138 WeakPolarHBondContact CB-O 3.32Å
133	D	97.4	Very high	96.4	Very high	66 Å²	66	79.7 Å²	79.7	35%	0.353	40%	0.395	S	S	.	.			trans	-66.2	129.7	167.3	-179.4	-79.9	0	0	0	109.9	M135 T136 K137 Q138	D133-M135 PolarHBondContact O-N 3.36Å; D133-M135 WeakPolarHBondContact OD1-CA 3.02Å; D133-M135 WeakPolarHBondContact OD1-CB 3.18Å; D133-M135 PolarHBondContact OD1-N 2.95Å; D133-T136 VanDerWaalsContact CB-OG1 3.31Å; D133-T136 WeakPolarHBondContact CB-OG1 3.49Å; D133-T136 PolarHBondContact OD1-N 3.01Å; D133-T136 PolarHBondContact OD1-OG1 3.1Å; D133-K137 VanDerWaalsContact O-CA 3.25Å; D133-K137 WeakPolarHBondContact O-CA 3.47Å; D133-K137 PolarHBondContact O-N 2.8Å; D133-Q138 PolarHBondContact N-O 3.47Å
134	S	96.8	Very high	96.1	Very high	85 Å²	85	81.2 Å²	81.2	59%	0.594	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-24	-173.4	67.3	0	0	0	0	113.9	I132 K137	I132-S134 PolarHBondContact O-N 3.35Å; S134-K137 WeakPolarHBondContact O-CE 3.37Å; S134-K137 PolarHBondContact O-NZ 2.55Å
135	M	97.6	Very high	95.6	Very high	160 Å²	160	86.9 Å²	86.9	79%	0.788	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-51.1	-177.4	-61.9	-58.9	-67.1	0	0	111.2	D133	D133-M135 PolarHBondContact O-N 3.36Å; D133-M135 WeakPolarHBondContact OD1-CA 3.02Å; D133-M135 WeakPolarHBondContact OD1-CB 3.18Å; D133-M135 PolarHBondContact OD1-N 2.95Å
136	T	97.4	Very high	95.3	Very high	81 Å²	81	88.2 Å²	88.2	50%	0.497	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-15.2	-174.4	69.4	0	0	0	0	113.5	D133 Q138	D133-T136 VanDerWaalsContact CB-OG1 3.31Å; D133-T136 WeakPolarHBondContact CB-OG1 3.49Å; D133-T136 PolarHBondContact OD1-N 3.01Å; D133-T136 PolarHBondContact OD1-OG1 3.1Å; T136-Q138 PolarHBondContact O-N 3.12Å; T136-Q138 VanDerWaalsContact O-N 3.12Å; T136-Q138 PolarHBondContact O-NE2 3.11Å; T136-Q138 PolarHBondContact OG1-N 2.87Å
137	K	96.9	Very high	95.1	Very high	134 Å²	134	95.6 Å²	95.6	58%	0.583	48%	0.475	S	S	*	.			trans	59.3	14.3	-174.4	-47.2	-55.2	-176	-173.8	0	114	I132 D133 S134	I132-K137 HydrophobicContact CD1-CD 4.22Å; D133-K137 VanDerWaalsContact O-CA 3.25Å; D133-K137 WeakPolarHBondContact O-CA 3.47Å; D133-K137 PolarHBondContact O-N 2.8Å; S134-K137 WeakPolarHBondContact O-CE 3.37Å; S134-K137 PolarHBondContact O-NZ 2.55Å
138	Q	95.3	Very high	94.6	Very high	108 Å²	108	96.8 Å²	96.8	51%	0.505	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-80.8	150.1	176.1	-61.9	-55.3	-55.4	0	0	111	I132 D133 T136 I140	I132-Q138 CarbonylContact C-O 3.52Å; I132-Q138 VanDerWaalsContact CA-O 3.24Å; I132-Q138 WeakPolarHBondContact CA-O 3.34Å; I132-Q138 WeakPolarHBondContact CB-O 3.32Å; D133-Q138 PolarHBondContact N-O 3.47Å; T136-Q138 PolarHBondContact O-N 3.12Å; T136-Q138 VanDerWaalsContact O-N 3.12Å; T136-Q138 PolarHBondContact O-NE2 3.11Å; T136-Q138 PolarHBondContact OG1-N 2.87Å; Q138-I140 PolarHBondContact O-N 3.32Å
139	P	95.4	Very high	94.2	Very high	27 Å²	27	95.3 Å²	95.3	18%	0.175	49%	0.488	C	S	.	.	B	Isolated β-bridge	trans	-57.6	137.1	170.6	-21	32.7	0	0	0	111.1	T104	T104-P139 HydrophobicContact CG2-CB 4.04Å
140	I	95.8	Very high	93.7	Very high	69 Å²	69	98.3 Å²	98.3	35%	0.354	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-70.3	133.3	173.3	-59.6	-176.9	0	0	0	109.1	N106 L131 Q138 V154	N106-I140 VanDerWaalsContact CB-O 3.22Å; N106-I140 WeakPolarHBondContact CB-O 3.44Å; N106-I140 PolarHBondContact ND2-N 3.18Å; N106-I140 VanDerWaalsContact ND2-N 3.14Å; N106-I140 PolarHBondContact ND2-O 3.24Å; L131-I140 HydrophobicContact CB-CB 4.49Å; L131-I140 HydrophobicContact CB-CD1 3.84Å; L131-I140 HydrophobicContact CB-CG1 4.26Å; L131-I140 PolarHBondContact O-N 3.28Å; L131-I140 VanDerWaalsContact O-N 3.07Å; Q138-I140 PolarHBondContact O-N 3.32Å; I140-V154 HydrophobicContact CB-CG1 4.4Å; I140-V154 HydrophobicContact CG2-CG1 4.3Å; I140-V154 HydrophobicContact CG2-CG2 4.32Å
141	L	94.9	Very high	93.2	Very high	103 Å²	103	96.8 Å²	96.8	54%	0.539	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-89	143.5	174	-70.2	83	0	0	0	110.2	T104 E143	T104-L141 HydrophobicContact CG2-CG 4.41Å; L141-E143 PolarHBondContact O-N 3.46Å
142	Y	94.8	Very high	93.1	Very high	47 Å²	47	95 Å²	95	18%	0.184	49%	0.489	C	S	.	.			trans	-73.4	114.4	168.3	179.5	-99.2	0	0	0	110.9	T104 G144 C152 R153	T104-Y142 PolarHBondContact O-N 2.89Å; Y142-G144 WeakPolarHBondContact CE1-O 3.43Å; Y142-G144 VanDerWaalsContact CZ-CA 3.41Å; Y142-G144 WeakPolarHBondContact OH-CA 3.43Å; Y142-C152 HydrophobicContact CD1-CB 4Å; Y142-C152 HydrophobicContact CE1-CB 3.55Å; Y142-C152 VanDerWaalsContact CZ-CA 3.45Å; Y142-R153 WeakPolarHBondContact CD2-O 3.44Å; Y142-R153 WeakPolarHBondContact CE2-O 3.29Å
143	E	91	Very high	93	Very high	180 Å²	180	91.9 Å²	91.9	84%	0.841	47%	0.472	S	S	*	.			trans	-106.3	5.1	-179.7	-61.5	-177	153.4	0	0	113.7	L141	L141-E143 PolarHBondContact O-N 3.46Å
144	G	88.8	Confident	93	Very high	32 Å²	32	90.6 Å²	90.6	33%	0.33	47%	0.466	S	S	.	.			trans	-73.8	156	-177.2	0	0	0	0	0	113.5	Y142	Y142-G144 WeakPolarHBondContact CE1-O 3.43Å; Y142-G144 VanDerWaalsContact CZ-CA 3.41Å; Y142-G144 WeakPolarHBondContact OH-CA 3.43Å
145	Q	86.6	Confident	93	Very high	202 Å²	202	87 Å²	87	94%	0.944	44%	0.44	S	S	*	.			trans	-113	84	171.9	-64.4	-179.3	1.8	0	0	108.5
146	D	90.5	Very high	92.9	Very high	75 Å²	75	81.6 Å²	81.6	40%	0.401	41%	0.414	S	S	.	.			trans	-99.8	142.9	173	-156.4	-59.2	0	0	0	109.6	N148 M151	D146-N148 VanDerWaalsContact C-N 3.3Å; D146-N148 PolarHBondContact OD1-N 2.99Å; D146-M151 HydrophobicContact CB-CB 4.15Å
147	K	91.9	Very high	92.9	Very high	211 Å²	211	78.2 Å²	78.2	92%	0.917	39%	0.393	S	S	*	.	S	Bend	trans	-73.8	-27.7	176	-67.1	-175.8	179.4	-179.2	0	111.3	P149	K147-P149 WeakPolarHBondContact O-CD 3.43Å
148	N	88.4	Confident	92.8	Very high	65 Å²	65	72.4 Å²	72.4	35%	0.348	37%	0.368	S	S	.	.	S	Bend	trans	-88.7	113.5	176.2	-176	-0.5	0	0	0	109.8	D146 E150 M151 C152	D146-N148 VanDerWaalsContact C-N 3.3Å; D146-N148 PolarHBondContact OD1-N 2.99Å; N148-E150 PolarHBondContact O-N 2.86Å; N148-E150 VanDerWaalsContact O-N 3.16Å; N148-E150 PolarHBondContact OD1-N 2.65Å; N148-M151 HydrophobicContact CB-CB 4.33Å; N148-M151 HydrophobicContact CB-CG 3.84Å; N148-M151 WeakPolarHBondContact O-CB 3.34Å; N148-M151 PolarHBondContact O-N 3.38Å; N148-C152 PolarHBondContact O-SG 2.92Å
149	P	88	Confident	92.7	Very high	99 Å²	99	69.1 Å²	69.1	64%	0.643	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-61.3	-23.7	178.5	24.4	-32.9	0	0	0	113.5	K147 M151 C152	K147-P149 WeakPolarHBondContact O-CD 3.43Å; P149-M151 PolarHBondContact O-N 2.97Å; P149-C152 WeakPolarHBondContact O-CB 3.48Å; P149-C152 PolarHBondContact O-N 2.94Å
150	E	87.4	Confident	92.6	Very high	88 Å²	88	69.5 Å²	69.5	41%	0.411	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-72	-17.3	175.1	-60.8	-168.9	146.4	0	0	113.2	N148 R153 L156 I160	N148-E150 PolarHBondContact O-N 2.86Å; N148-E150 VanDerWaalsContact O-N 3.16Å; N148-E150 PolarHBondContact OD1-N 2.65Å; E150-R153 VanDerWaalsContact C-NH1 3.35Å; E150-R153 PolarHBondContact O-NH1 3.35Å; E150-L156 WeakPolarHBondContact O-CD2 3.49Å; E150-I160 HydrophobicContact CB-CD1 4.33Å; E150-I160 HydrophobicContact CB-CG1 4.2Å; E150-I160 HydrophobicContact CG-CD1 4.46Å
151	M	88.2	Confident	92.3	Very high	46 Å²	46	69.9 Å²	69.9	23%	0.227	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-92.1	-7	176.1	-58.6	-58.9	-65.6	0	0	112.1	D146 N148 P149 R153 L156 M161	D146-M151 HydrophobicContact CB-CB 4.15Å; N148-M151 HydrophobicContact CB-CB 4.33Å; N148-M151 HydrophobicContact CB-CG 3.84Å; N148-M151 WeakPolarHBondContact O-CB 3.34Å; N148-M151 PolarHBondContact O-N 3.38Å; P149-M151 PolarHBondContact O-N 2.97Å; M151-R153 PolarHBondContact O-N 2.8Å; M151-L156 HydrophobicContact CE-CD1 3.77Å; M151-L156 HydrophobicContact SD-CD1 4.39Å; M151-M161 HydrophobicContact CE-CG 3.77Å; M151-M161 HydrophobicContact CE-SD 3.77Å; M151-M161 HydrophobicContact SD-CG 3.91Å
152	C	94.3	Very high	92.3	Very high	24 Å²	24	65.9 Å²	65.9	16%	0.162	33%	0.334	C	S	.	.			trans	-80.4	54.4	-174.5	-69.1	0	0	0	0	113.6	N105 Y142 N148 P149	N105-C152 VanDerWaalsContact CB-O 3.29Å; N105-C152 WeakPolarHBondContact CB-O 3.36Å; N105-C152 PolarHBondContact ND2-O 3.02Å; Y142-C152 HydrophobicContact CD1-CB 4Å; Y142-C152 HydrophobicContact CE1-CB 3.55Å; Y142-C152 VanDerWaalsContact CZ-CA 3.45Å; N148-C152 PolarHBondContact O-SG 2.92Å; P149-C152 WeakPolarHBondContact O-CB 3.48Å; P149-C152 PolarHBondContact O-N 2.94Å
153	R	95.8	Very high	92.2	Very high	28 Å²	28	67.9 Å²	67.9	11%	0.106	36%	0.355	C	S	.	.	S	Bend	trans	-136.6	152.3	-174.7	-56.8	-175.7	175.5	106.5	-1.8	112.1	E94 N105 Y142 E150 M151 L155 L156	E94-R153 IonicContact OE1-NH2 2.89Å; E94-R153 PolarHBondContact OE1-NH2 3.2Å; E94-R153 IonicContact OE2-CZ 3.18Å; E94-R153 IonicContact OE2-NE 3.25Å; E94-R153 PolarHBondContact OE2-NE 2.74Å; E94-R153 IonicContact OE2-NH2 3.52Å; E94-R153 PolarHBondContact OE2-NH2 2.88Å; N105-R153 HydrophobicContact CB-CG 4.48Å; N105-R153 WeakPolarHBondContact O-CA 3.47Å; Y142-R153 WeakPolarHBondContact CD2-O 3.44Å; Y142-R153 WeakPolarHBondContact CE2-O 3.29Å; E150-R153 VanDerWaalsContact C-NH1 3.35Å; E150-R153 PolarHBondContact O-NH1 3.35Å; M151-R153 PolarHBondContact O-N 2.8Å; R153-L155 WeakPolarHBondContact CB-O 3.49Å; R153-L156 HydrophobicContact CB-CD2 3.89Å; R153-L156 HydrophobicContact CB-CG 4.32Å; R153-L156 HydrophobicContact CG-CD2 4.24Å
154	V	96.4	Very high	92.4	Very high	38 Å²	38	66.4 Å²	66.4	23%	0.23	34%	0.342	C	S	.	.	S	Bend	trans	-72.8	-39.3	173.5	176.2	0	0	0	0	111.3	N105 N106 L131 I140	N105-V154 PolarHBondContact O-N 2.91Å; N106-V154 HydrophobicContact CB-CB 3.77Å; N106-V154 HydrophobicContact CB-CG1 4.37Å; N106-V154 HydrophobicContact CB-CG2 3.72Å; L131-V154 HydrophobicContact CB-CG1 4.17Å; L131-V154 HydrophobicContact CD1-CG1 3.77Å; L131-V154 HydrophobicContact CG-CG1 4.19Å; I140-V154 HydrophobicContact CB-CG1 4.4Å; I140-V154 HydrophobicContact CG2-CG1 4.3Å; I140-V154 HydrophobicContact CG2-CG2 4.32Å
155	L	97.3	Very high	92.6	Very high	10 Å²	10	65.4 Å²	65.4	5%	0.052	33%	0.33	C	S	.	.	S	Bend	trans	-118.2	139.5	177.3	-68.8	175	0	0	0	110	F68 F92 I108 V129 L131 R153	F68-L155 HydrophobicContact CE1-CD2 4.17Å; F68-L155 HydrophobicContact CZ-CD2 3.95Å; F92-L155 WeakPolarHBondContact CE1-O 3.12Å; I108-L155 HydrophobicContact CD1-CB 3.98Å; I108-L155 HydrophobicContact CG1-CB 3.96Å; V129-L155 HydrophobicContact CG1-CD1 4.17Å; V129-L155 WeakPolarHBondContact O-CD1 3.41Å; L131-L155 HydrophobicContact CD1-CD2 3.85Å; L131-L155 HydrophobicContact CD1-CG 4.39Å; L131-L155 HydrophobicContact CD2-CD2 4.23Å; L131-L155 HydrophobicContact CG-CD1 4.19Å; L131-L155 HydrophobicContact CG-CD2 3.83Å; L131-L155 HydrophobicContact CG-CG 4.07Å; R153-L155 WeakPolarHBondContact CB-O 3.49Å
156	L	96.2	Very high	92.8	Very high	47 Å²	47	59 Å²	59	25%	0.246	31%	0.307	C	S	.	.			trans	-135.4	150.1	-179.8	-69.7	168.6	0	0	0	110	E150 M151 R153 I160 M161	E150-L156 WeakPolarHBondContact O-CD2 3.49Å; M151-L156 HydrophobicContact CE-CD1 3.77Å; M151-L156 HydrophobicContact SD-CD1 4.39Å; R153-L156 HydrophobicContact CB-CD2 3.89Å; R153-L156 HydrophobicContact CB-CG 4.32Å; R153-L156 HydrophobicContact CG-CD2 4.24Å; L156-I160 HydrophobicContact CD2-CG2 3.97Å; L156-M161 HydrophobicContact CB-CE 4.15Å; L156-M161 HydrophobicContact CB-CG 4.25Å; L156-M161 HydrophobicContact CB-SD 3.88Å; L156-M161 HydrophobicContact CD1-CG 4.2Å; L156-M161 HydrophobicContact CD1-SD 3.65Å; L156-M161 HydrophobicContact CG-SD 4.36Å
157	T	96.9	Very high	93	Very high	9 Å²	9	60.1 Å²	60.1	6%	0.055	31%	0.313	C	S	.	.			trans	-99.1	161.9	169.6	60.8	0	0	0	0	110.3	Y89 F92 I108 E159 I160 M161 S179	Y89-T157 HydrophobicContact CD2-CG2 4.09Å; Y89-T157 HydrophobicContact CE2-CG2 4.05Å; F92-T157 HydrophobicContact CE1-CG2 4.43Å; F92-T157 HydrophobicContact CZ-CG2 4.37Å; I108-T157 HydrophobicContact CD1-CG2 3.91Å; T157-E159 VanDerWaalsContact C-N 3.29Å; T157-E159 PolarHBondContact O-N 3.14Å; T157-I160 WeakPolarHBondContact O-CG2 3.49Å; T157-M161 WeakPolarHBondContact O-CE 3.35Å; T157-S179 VanDerWaalsContact CB-OG 3.32Å; T157-S179 WeakPolarHBondContact CB-OG 3.49Å; T157-S179 PolarHBondContact OG1-OG 3Å
158	H	95.1	Very high	93.1	Very high	13 Å²	13	59.3 Å²	59.3	6%	0.06	31%	0.309	C	S	.	.	H	α-helix	trans	-62	-40.4	177.4	174.4	61.6	0	0	0	112.1	F67 I160 M161 C162 C171 N173 T177	F67-H158 HydrophobicContact CE1-CB 3.86Å; F67-H158 HydrophobicContact CZ-CB 3.64Å; F67-H158 AromaticContact CZ-ND1 3.71Å; H158-I160 VanDerWaalsContact C-N 3.34Å; H158-I160 PolarHBondContact O-N 2.97Å; H158-M161 PolarHBondContact O-N 2.82Å; H158-M161 VanDerWaalsContact O-N 3.1Å; H158-C162 VanDerWaalsContact CE1-CB 3.49Å; H158-C162 WeakPolarHBondContact CE1-CB 3.41Å; H158-C162 WeakPolarHBondContact NE2-CB 3.41Å; H158-C162 VanDerWaalsContact O-CB 3.25Å; H158-C162 WeakPolarHBondContact O-CB 3.29Å; H158-C162 PolarHBondContact O-N 3.16Å; H158-C171 PolarHBondContact NE2-SG 3.22Å; H158-N173 VanDerWaalsContact CE1-CB 3.44Å; H158-N173 WeakPolarHBondContact CE1-CB 3.31Å; H158-N173 WeakPolarHBondContact NE2-CB 3.24Å; H158-T177 VanDerWaalsContact CB-O 3.31Å; H158-T177 WeakPolarHBondContact CB-O 3.21Å
159	E	93.9	Very high	93.4	Very high	38 Å²	38	61.8 Å²	61.8	18%	0.178	32%	0.317	C	S	.	.	H	α-helix	trans	-65.4	-35.2	-170.6	-63.9	-176.6	-148.8	0	0	113.1	T157 M161 C162 C165 C166 R174 S179	T157-E159 VanDerWaalsContact C-N 3.29Å; T157-E159 PolarHBondContact O-N 3.14Å; E159-M161 VanDerWaalsContact C-N 3.32Å; E159-C162 PolarHBondContact O-N 3.5Å; E159-C165 HydrophobicContact CB-CB 3.89Å; E159-C165 HydrophobicContact CG-CB 4.07Å; E159-C165 WeakPolarHBondContact O-CB 3.19Å; E159-C166 PolarHBondContact O-SG 2.73Å; E159-R174 HydrophobicContact CG-CG 4.2Å; E159-R174 IonicContact OE1-CZ 3.89Å; E159-R174 IonicContact OE1-NE 2.74Å; E159-R174 PolarHBondContact OE1-NE 3.49Å; E159-R174 IonicContact OE1-NH2 3.38Å; E159-R174 PolarHBondContact OE1-NH2 2.69Å; E159-R174 IonicContact OE2-CZ 3.06Å; E159-R174 IonicContact OE2-NE 2.83Å; E159-R174 PolarHBondContact OE2-NE 3.12Å; E159-R174 IonicContact OE2-NH2 3.39Å; E159-R174 PolarHBondContact OE2-NH2 2.99Å; E159-S179 WeakPolarHBondContact CB-OG 3.49Å; E159-S179 VanDerWaalsContact CD-OG 3.29Å; E159-S179 VanDerWaalsContact CG-OG 3.23Å; E159-S179 WeakPolarHBondContact CG-OG 3.46Å; E159-S179 PolarHBondContact OE1-N 3.38Å; E159-S179 PolarHBondContact OE1-OG 3.07Å
160	I	92.3	Very high	93.6	Very high	36 Å²	36	62.2 Å²	62.2	19%	0.185	32%	0.322	C	S	.	.	H	α-helix	trans	-72.3	-27.6	176.2	-166.5	62.7	0	0	0	112.5	F92 E150 L156 T157 H158	F92-I160 HydrophobicContact CE2-CB 4.31Å; F92-I160 HydrophobicContact CE2-CG1 4.29Å; F92-I160 HydrophobicContact CE2-CG2 4.16Å; F92-I160 HydrophobicContact CZ-CB 4.39Å; F92-I160 HydrophobicContact CZ-CG2 3.81Å; E150-I160 HydrophobicContact CB-CD1 4.33Å; E150-I160 HydrophobicContact CB-CG1 4.2Å; E150-I160 HydrophobicContact CG-CD1 4.46Å; L156-I160 HydrophobicContact CD2-CG2 3.97Å; T157-I160 WeakPolarHBondContact O-CG2 3.49Å; H158-I160 VanDerWaalsContact C-N 3.34Å; H158-I160 PolarHBondContact O-N 2.97Å
161	M	90.8	Very high	94	Very high	76 Å²	76	58.7 Å²	58.7	37%	0.374	31%	0.307	S	S	.	.	H	α-helix	trans	-87.3	-14	179.5	-60.4	-168	-71.3	0	0	112.7	F67 M151 L156 T157 H158 E159	F67-M161 HydrophobicContact CE1-CE 3.41Å; F67-M161 VanDerWaalsContact CE1-CE 3.41Å; F67-M161 HydrophobicContact CE2-CE 4.39Å; F67-M161 HydrophobicContact CZ-CE 3.32Å; M151-M161 HydrophobicContact CE-CG 3.77Å; M151-M161 HydrophobicContact CE-SD 3.77Å; M151-M161 HydrophobicContact SD-CG 3.91Å; L156-M161 HydrophobicContact CB-CE 4.15Å; L156-M161 HydrophobicContact CB-CG 4.25Å; L156-M161 HydrophobicContact CB-SD 3.88Å; L156-M161 HydrophobicContact CD1-CG 4.2Å; L156-M161 HydrophobicContact CD1-SD 3.65Å; L156-M161 HydrophobicContact CG-SD 4.36Å; T157-M161 WeakPolarHBondContact O-CE 3.35Å; H158-M161 PolarHBondContact O-N 2.82Å; H158-M161 VanDerWaalsContact O-N 3.1Å; E159-M161 VanDerWaalsContact C-N 3.32Å
162	C	93.2	Very high	94.2	Very high	19 Å²	19	58.8 Å²	58.8	13%	0.128	32%	0.32	C	S	.	.			trans	-103.9	112.8	-171.1	-174	0	0	0	0	111.4	H158 E159 R164 C165 C166	H158-C162 VanDerWaalsContact CE1-CB 3.49Å; H158-C162 WeakPolarHBondContact CE1-CB 3.41Å; H158-C162 WeakPolarHBondContact NE2-CB 3.41Å; H158-C162 VanDerWaalsContact O-CB 3.25Å; H158-C162 WeakPolarHBondContact O-CB 3.29Å; H158-C162 PolarHBondContact O-N 3.16Å; E159-C162 PolarHBondContact O-N 3.5Å; C162-R164 PolarHBondContact O-N 2.97Å; C162-R164 VanDerWaalsContact O-N 3.15Å; C162-C165 HydrophobicContact CB-CB 3.92Å; C162-C165 PolarHBondContact O-N 2.78Å; C162-C166 PolarHBondContact O-N 2.99Å; C162-C166 PolarHBondContact O-SG 2.8Å; C162-C166 VanDerWaalsContact O-SG 3.35Å
163	S	92.8	Very high	94.1	Very high	89 Å²	89	61.9 Å²	61.9	62%	0.622	34%	0.335	S	S	*	.	H	α-helix	trans	-54.1	-36.7	176.7	57.1	0	0	0	0	113.6	C166 D167	S163-C166 PolarHBondContact O-N 2.77Å; S163-D167 WeakPolarHBondContact O-CB 3.45Å; S163-D167 PolarHBondContact O-N 3.26Å
164	R	95	Very high	94	Very high	149 Å²	149	65.4 Å²	65.4	56%	0.562	35%	0.348	S	S	*	.	H	α-helix	trans	-65.1	-42.2	176.1	-68.5	-177.4	175.8	-115.9	0.3	112.2	C162 D167 K168 K169 C171	C162-R164 PolarHBondContact O-N 2.97Å; C162-R164 VanDerWaalsContact O-N 3.15Å; R164-D167 PolarHBondContact O-N 3.2Å; R164-K168 PolarHBondContact O-N 3.33Å; R164-K169 HydrophobicContact CB-CB 4.38Å; R164-K169 WeakPolarHBondContact O-CB 3.37Å; R164-K169 PolarHBondContact O-N 3.25Å; R164-C171 HydrophobicContact CB-CB 4.28Å
165	C	94.3	Very high	93.6	Very high	12 Å²	12	70.3 Å²	70.3	8%	0.081	37%	0.373	C	S	.	.	H	α-helix	trans	-67.3	-42.2	177.8	-63.6	0	0	0	0	110.9	E159 C162 D167 K168 C171	E159-C165 HydrophobicContact CB-CB 3.89Å; E159-C165 HydrophobicContact CG-CB 4.07Å; E159-C165 WeakPolarHBondContact O-CB 3.19Å; C162-C165 HydrophobicContact CB-CB 3.92Å; C162-C165 PolarHBondContact O-N 2.78Å; C165-D167 VanDerWaalsContact C-N 3.28Å; C165-D167 PolarHBondContact O-N 3.33Å; C165-K168 WeakPolarHBondContact O-CA 2.98Å; C165-K168 PolarHBondContact O-N 2.84Å; C165-C171 VanDerWaalsContact SG-CB 3.52Å
166	C	91.3	Very high	93.3	Very high	68 Å²	68	77.3 Å²	77.3	46%	0.459	41%	0.406	S	S	.	.	H	α-helix	trans	-58.3	-40.2	173.9	-61.6	0	0	0	0	112.1	E159 C162 S163 K168	E159-C166 PolarHBondContact O-SG 2.73Å; C162-C166 PolarHBondContact O-N 2.99Å; C162-C166 PolarHBondContact O-SG 2.8Å; C162-C166 VanDerWaalsContact O-SG 3.35Å; S163-C166 PolarHBondContact O-N 2.77Å; C166-K168 PolarHBondContact O-N 3.33Å
167	D	94.3	Very high	93.2	Very high	97 Å²	97	77.2 Å²	77.2	52%	0.519	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	2.1	175	-75.8	-3.9	0	0	0	113.8	S163 R164 C165 K169	S163-D167 WeakPolarHBondContact O-CB 3.45Å; S163-D167 PolarHBondContact O-N 3.26Å; R164-D167 PolarHBondContact O-N 3.2Å; C165-D167 VanDerWaalsContact C-N 3.28Å; C165-D167 PolarHBondContact O-N 3.33Å; D167-K169 HydrophobicContact CB-CD 3.79Å; D167-K169 HydrophobicContact CB-CG 3.94Å; D167-K169 PolarHBondContact O-N 3.32Å; D167-K169 IonicContact OD2-NZ 3.41Å; D167-K169 PolarHBondContact OD2-NZ 3.08Å
168	K	93.4	Very high	93.2	Very high	194 Å²	194	78.9 Å²	78.9	84%	0.843	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	30.1	-174.3	-55.7	-178.3	179.8	-179.5	0	113.4	R164 C165 C166	R164-K168 PolarHBondContact O-N 3.33Å; C165-K168 WeakPolarHBondContact O-CA 2.98Å; C165-K168 PolarHBondContact O-N 2.84Å; C166-K168 PolarHBondContact O-N 3.33Å
169	K	94.8	Very high	93.3	Very high	117 Å²	117	78.6 Å²	78.6	51%	0.509	42%	0.417	S	S	.	.			trans	-88.1	158.7	173.6	-66.7	168.6	-176.5	156.4	0	110	R164 D167 C171	R164-K169 HydrophobicContact CB-CB 4.38Å; R164-K169 WeakPolarHBondContact O-CB 3.37Å; R164-K169 PolarHBondContact O-N 3.25Å; D167-K169 HydrophobicContact CB-CD 3.79Å; D167-K169 HydrophobicContact CB-CG 3.94Å; D167-K169 PolarHBondContact O-N 3.32Å; D167-K169 IonicContact OD2-NZ 3.41Å; D167-K169 PolarHBondContact OD2-NZ 3.08Å; K169-C171 PolarHBondContact O-N 2.72Å
170	S	92.6	Very high	93.5	Very high	108 Å²	108	79.6 Å²	79.6	76%	0.755	42%	0.424	S	S	*	.			trans	-61.2	136.4	171.5	56	0	0	0	0	110.8
171	C	95.4	Very high	93.7	Very high	15 Å²	15	80 Å²	80	10%	0.101	43%	0.429	C	S	.	.			trans	-136.9	120.1	-179.3	-175.8	0	0	0	0	109.3	H158 R164 C165 K169 N173 R174	H158-C171 PolarHBondContact NE2-SG 3.22Å; R164-C171 HydrophobicContact CB-CB 4.28Å; C165-C171 VanDerWaalsContact SG-CB 3.52Å; K169-C171 PolarHBondContact O-N 2.72Å; C171-N173 VanDerWaalsContact C-N 3.31Å; C171-N173 PolarHBondContact O-N 2.83Å; C171-R174 HydrophobicContact CB-CB 3.99Å; C171-R174 WeakPolarHBondContact O-CB 3.25Å; C171-R174 PolarHBondContact O-N 3.33Å
172	G	93	Very high	94.1	Very high	48 Å²	48	81.2 Å²	81.2	50%	0.495	44%	0.44	S	S	.	.	H	α-helix	trans	-61.6	-40	178.6	0	0	0	0	0	112.4	R174 N175	G172-R174 PolarHBondContact O-N 2.97Å; G172-N175 WeakPolarHBondContact O-CB 3.46Å; G172-N175 PolarHBondContact O-N 2.87Å
173	N	92.1	Very high	94.2	Very high	88 Å²	88	83.2 Å²	83.2	47%	0.471	45%	0.449	S	S	.	.	H	α-helix	trans	-64.8	-27.6	179.2	-63.5	13.5	0	0	0	112.4	H158 C171 N175 E176 T177	H158-N173 VanDerWaalsContact CE1-CB 3.44Å; H158-N173 WeakPolarHBondContact CE1-CB 3.31Å; H158-N173 WeakPolarHBondContact NE2-CB 3.24Å; C171-N173 VanDerWaalsContact C-N 3.31Å; C171-N173 PolarHBondContact O-N 2.83Å; N173-N175 PolarHBondContact O-N 3.07Å; N173-E176 PolarHBondContact O-N 3.46Å; N173-E176 VanDerWaalsContact O-N 3.11Å; N173-T177 PolarHBondContact O-N 2.84Å; N173-T177 PolarHBondContact O-OG1 2.95Å
174	R	92.9	Very high	94.2	Very high	103 Å²	103	83.8 Å²	83.8	39%	0.389	44%	0.444	S	S	.	.	H	α-helix	trans	-63.4	-28.9	173.6	-172.6	-179.3	-175.9	-170.8	1.8	112.1	E159 C171 G172 E176 P178	E159-R174 HydrophobicContact CG-CG 4.2Å; E159-R174 IonicContact OE1-CZ 3.89Å; E159-R174 IonicContact OE1-NE 2.74Å; E159-R174 PolarHBondContact OE1-NE 3.49Å; E159-R174 IonicContact OE1-NH2 3.38Å; E159-R174 PolarHBondContact OE1-NH2 2.69Å; E159-R174 IonicContact OE2-CZ 3.06Å; E159-R174 IonicContact OE2-NE 2.83Å; E159-R174 PolarHBondContact OE2-NE 3.12Å; E159-R174 IonicContact OE2-NH2 3.39Å; E159-R174 PolarHBondContact OE2-NH2 2.99Å; C171-R174 HydrophobicContact CB-CB 3.99Å; C171-R174 WeakPolarHBondContact O-CB 3.25Å; C171-R174 PolarHBondContact O-N 3.33Å; G172-R174 PolarHBondContact O-N 2.97Å; R174-E176 VanDerWaalsContact C-N 3.32Å; R174-P178 VanDerWaalsContact O-CA 3.25Å; R174-P178 WeakPolarHBondContact O-CA 3.22Å; R174-P178 WeakPolarHBondContact O-CB 3.04Å; R174-P178 WeakPolarHBondContact O-CD 3.48Å; R174-P178 VanDerWaalsContact O-N 3.12Å
175	N	89.1	Confident	93.5	Very high	140 Å²	140	84.2 Å²	84.2	75%	0.749	46%	0.457	S	S	*	.	H	α-helix	trans	-73.9	-27.6	176.3	-58.7	-23.9	0	0	0	111.9	G172 N173	G172-N175 WeakPolarHBondContact O-CB 3.46Å; G172-N175 PolarHBondContact O-N 2.87Å; N173-N175 PolarHBondContact O-N 3.07Å
176	E	91.1	Very high	92.4	Very high	158 Å²	158	93.2 Å²	93.2	74%	0.738	49%	0.49	S	S	*	.	H	α-helix	trans	-87.8	-39.4	179.1	-63.4	-176.3	177.6	0	0	112.2	N173 R174 P178	N173-E176 PolarHBondContact O-N 3.46Å; N173-E176 VanDerWaalsContact O-N 3.11Å; R174-E176 VanDerWaalsContact C-N 3.32Å; E176-P178 VanDerWaalsContact C-CD 3.5Å
177	T	93.9	Very high	92.4	Very high	44 Å²	44	94.5 Å²	94.5	27%	0.27	49%	0.491	S	S	.	.	S	Bend	trans	-131	65	-178.1	54.6	0	0	0	0	111.3	F67 H158 N173	F67-T177 HydrophobicContact CB-CG2 4.17Å; F67-T177 HydrophobicContact CD2-CG2 4.35Å; F67-T177 HydrophobicContact CG-CG2 4.12Å; H158-T177 VanDerWaalsContact CB-O 3.31Å; H158-T177 WeakPolarHBondContact CB-O 3.21Å; N173-T177 PolarHBondContact O-N 2.84Å; N173-T177 PolarHBondContact O-OG1 2.95Å
178	P	95.9	Very high	92.3	Very high	45 Å²	45	94.4 Å²	94.4	29%	0.292	49%	0.49	S	S	.	.			trans	-62.6	151.7	177.4	27.5	-34.4	0	0	0	111.1	R174 E176 D180 V182	R174-P178 VanDerWaalsContact O-CA 3.25Å; R174-P178 WeakPolarHBondContact O-CA 3.22Å; R174-P178 WeakPolarHBondContact O-CB 3.04Å; R174-P178 WeakPolarHBondContact O-CD 3.48Å; R174-P178 VanDerWaalsContact O-N 3.12Å; E176-P178 VanDerWaalsContact C-CD 3.5Å; P178-D180 VanDerWaalsContact C-N 3.33Å; P178-V182 HydrophobicContact CG-CG2 3.58Å
179	S	97.1	Very high	92.3	Very high	6 Å²	6	88.8 Å²	88.8	4%	0.042	47%	0.47	C	S	.	.	S	Bend	trans	-67.1	-38.7	170.6	-65.7	0	0	0	0	111.4	Y110 T157 E159	Y110-S179 WeakPolarHBondContact CE1-O 3.39Å; T157-S179 VanDerWaalsContact CB-OG 3.32Å; T157-S179 WeakPolarHBondContact CB-OG 3.49Å; T157-S179 PolarHBondContact OG1-OG 3Å; E159-S179 WeakPolarHBondContact CB-OG 3.49Å; E159-S179 VanDerWaalsContact CD-OG 3.29Å; E159-S179 VanDerWaalsContact CG-OG 3.23Å; E159-S179 WeakPolarHBondContact CG-OG 3.46Å; E159-S179 PolarHBondContact OE1-N 3.38Å; E159-S179 PolarHBondContact OE1-OG 3.07Å
180	D	97.5	Very high	92.1	Very high	60 Å²	60	87.2 Å²	87.2	32%	0.321	47%	0.468	S	S	.	.	S	Bend	trans	-71.5	129.7	177.7	-60.7	-30.1	0	0	0	110.2	Y89 P178 V182	Y89-D180 WeakPolarHBondContact CB-OD1 3.42Å; Y89-D180 PolarHBondContact N-OD1 3.3Å; P178-D180 VanDerWaalsContact C-N 3.33Å; D180-V182 PolarHBondContact O-N 3.35Å
181	P	97.9	Very high	92.1	Very high	43 Å²	43	85.9 Å²	85.9	28%	0.279	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-57.8	134.3	177	-25.2	32.6	0	0	0	112.1	T87 Y110	T87-P181 WeakPolarHBondContact CB-O 3.48Å; T87-P181 HydrophobicContact CG2-CB 4.19Å; T87-P181 PolarHBondContact OG1-O 2.82Å; Y110-P181 HydrophobicContact CD1-CG 3.58Å; Y110-P181 HydrophobicContact CE1-CG 3.78Å; Y110-P181 HydrophobicContact CG-CG 4.05Å
182	V	97.6	Very high	91.9	Very high	102 Å²	102	90.6 Å²	90.6	62%	0.618	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-83.6	127.9	179	-177.9	0	0	0	0	110.1	P178 D180 I184	P178-V182 HydrophobicContact CG-CG2 3.58Å; D180-V182 PolarHBondContact O-N 3.35Å; V182-I184 HydrophobicContact CG1-CG1 4.4Å
183	I	96.8	Very high	91.8	Very high	62 Å²	62	93.6 Å²	93.6	32%	0.318	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-82.4	127.2	173.6	-56.8	159.3	0	0	0	108.3	I84 T87 R186	I84-I183 HydrophobicContact CB-CD1 4.49Å; I84-I183 HydrophobicContact CB-CG1 4.3Å; I84-I183 HydrophobicContact CG2-CD1 4.02Å; I84-I183 HydrophobicContact CG2-CG1 3.96Å; I84-I183 WeakPolarHBondContact O-CD1 3.47Å; T87-I183 HydrophobicContact CG2-CD1 4.05Å; T87-I183 HydrophobicContact CG2-CG1 3.77Å; I183-R186 HydrophobicContact CG2-CG 4.19Å
184	I	93.3	Very high	91.8	Very high	101 Å²	101	94.1 Å²	94.1	52%	0.518	47%	0.472	S	S	.	.			trans	-120.6	134.6	179.8	-54.3	172.6	0	0	0	107.2	V71 V182	V71-I184 HydrophobicContact CG2-CD1 4.38Å; V182-I184 HydrophobicContact CG1-CG1 4.4Å
185	D	78.4	Confident	91.7	Very high	157 Å²	157	93.3 Å²	93.3	84%	0.84	48%	0.479	S	S	*	.			trans	40.2	78.6	169.2	-57.8	-29.9	0	0	0	114.5
186	R	71.6	Confident	91.9	Very high	202 Å²	202	89.1 Å²	89.1	76%	0.762	45%	0.454	S	S	*	.			trans	-52.6	0	179.6	-71.8	171.1	173.1	-141.4	6.9	113.9	E83 I183	E83-R186 HydrophobicContact CG-CB 4.29Å; E83-R186 HydrophobicContact CG-CG 4.29Å; E83-R186 VanDerWaalsContact OE1-CD 3.3Å; E83-R186 WeakPolarHBondContact OE1-CD 3.42Å; E83-R186 IonicContact OE1-CZ 3.62Å; E83-R186 IonicContact OE1-NE 3.75Å; E83-R186 IonicContact OE1-NH1 2.87Å; E83-R186 PolarHBondContact OE1-NH1 3.46Å; I183-R186 HydrophobicContact CG2-CG 4.19Å

Retrieved 186 of 186 residues in 51.9 ms (Link to these results)

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