A0A087X3S7_POEFO Loading...

Alpha-crystallin A chain

AlphaFold DB , UniProt , Accession A0A087X3S7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 176 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	41	Very low	42.3	Very low	232 Å²	232	169.7 Å²	169.7	100%	1.143	83%	0.83	S	S	*	*				0	93.5	0	-77.1	-174.9	176.7	0	0	105.6
2	D	39.3	Very low	42.4	Very low	168 Å²	168	176.6 Å²	176.6	90%	0.898	84%	0.841	S	S	*	*			trans	-92	121.6	-173.2	-57.9	-53.2	0	0	0	109.1
3	I	43.2	Very low	42.1	Very low	159 Å²	159	169.7 Å²	169.7	82%	0.815	83%	0.831	S	S	*	*			trans	-91	108.6	178.3	-59	166.6	0	0	0	107.3	I5	I3-I5 PolarHBondContact O-N 3.25Å
4	A	42.8	Very low	41.9	Very low	95 Å²	95	170.6 Å²	170.6	79%	0.785	84%	0.84	S	S	*	*			trans	-77.4	116	173.6	0	0	0	0	0	110.2	Q6	A4-Q6 PolarHBondContact O-N 2.73Å
5	I	49.2	Very low	41.4	Very low	133 Å²	133	164.5 Å²	164.5	68%	0.682	84%	0.839	S	S	*	*			trans	-83.2	110.3	170.1	-61	171	0	0	0	107.7	I3 H7	I3-I5 PolarHBondContact O-N 3.25Å; I5-H7 PolarHBondContact O-N 2.82Å
6	Q	39.6	Very low	41.3	Very low	182 Å²	182	161.3 Å²	161.3	85%	0.85	84%	0.836	S	S	*	*			trans	-76.8	117.2	166.6	-82.1	-161.9	-35.4	0	0	109.7	A4	A4-Q6 PolarHBondContact O-N 2.73Å
7	H	38.2	Very low	41.4	Very low	142 Å²	142	158.9 Å²	158.9	66%	0.657	82%	0.823	S	S	*	*			trans	-87.5	130	162.3	-63.4	-73.3	0	0	0	108.8	I5 W9	I5-H7 PolarHBondContact O-N 2.82Å; H7-W9 PolarHBondContact O-N 2.69Å
8	P	39.7	Very low	41.3	Very low	125 Å²	125	161.4 Å²	161.4	81%	0.812	82%	0.822	S	S	*	*			trans	-80.1	109	172.7	21.7	-16.9	0	0	0	110.5	F10	P8-F10 VanDerWaalsContact C-N 3.28Å; P8-F10 PolarHBondContact O-N 3.13Å; P8-F10 VanDerWaalsContact O-N 3.08Å
9	W	45.4	Very low	41.2	Very low	212 Å²	212	159.3 Å²	159.3	80%	0.803	82%	0.82	S	S	*	*			trans	-78.8	66.6	175.6	34.7	-77.3	0	0	0	110.4	H7	H7-W9 PolarHBondContact O-N 2.69Å
10	F	45.2	Very low	41.1	Very low	176 Å²	176	157.3 Å²	157.3	77%	0.772	82%	0.815	S	S	*	*			trans	-143.9	85.3	158.7	-82.2	-74.6	0	0	0	110.2	P8 R12	P8-F10 VanDerWaalsContact C-N 3.28Å; P8-F10 PolarHBondContact O-N 3.13Å; P8-F10 VanDerWaalsContact O-N 3.08Å; F10-R12 PolarHBondContact O-N 3.3Å
11	R	42.1	Very low	41.6	Very low	243 Å²	243	159.7 Å²	159.7	92%	0.917	81%	0.814	S	S	*	*			trans	-63.3	114.2	151.7	-71.8	-167.3	-170.3	-93.8	3.5	107.1	A13	R11-A13 PolarHBondContact O-N 2.8Å; R11-A13 VanDerWaalsContact O-N 3.08Å
12	R	43.7	Very low	41.7	Very low	252 Å²	252	154.9 Å²	154.9	95%	0.951	79%	0.792	S	S	*	*			trans	-64.3	104	156.6	-80.7	-174.5	-176.8	-158.7	1.3	107.1	F10	F10-R12 PolarHBondContact O-N 3.3Å
13	A	38.2	Very low	41.7	Very low	87 Å²	87	155.1 Å²	155.1	72%	0.719	79%	0.785	S	S	*	*			trans	-87.8	115.5	165.7	0	0	0	0	0	108.1	R11	R11-A13 PolarHBondContact O-N 2.8Å; R11-A13 VanDerWaalsContact O-N 3.08Å
14	L	39.1	Very low	41.8	Very low	182 Å²	182	153.4 Å²	153.4	95%	0.953	78%	0.778	S	S	*	*			trans	151.3	107.1	146.8	-89.1	144.1	0	0	0	109.9
15	G	34.7	Very low	42.2	Very low	80 Å²	80	152.1 Å²	152.1	83%	0.825	76%	0.756	S	S	*	*			trans	138.1	98.5	175.4	0	0	0	0	0	111.6
16	S	38.9	Very low	42.2	Very low	113 Å²	113	147.8 Å²	147.8	79%	0.79	73%	0.732	S	S	*	*			trans	-71.6	155.1	177.8	-166.4	0	0	0	0	111.7
17	I	43.7	Very low	42.5	Very low	121 Å²	121	148.2 Å²	148.2	62%	0.621	73%	0.731	S	S	*	*	S	Bend	trans	83.3	111.8	160.9	-17	178.7	0	0	0	118.9
18	Y	40.2	Very low	42.8	Very low	204 Å²	204	143.2 Å²	143.2	80%	0.8	72%	0.718	S	S	*	*	S	Bend	trans	89.1	139.3	164.3	-50.9	-67.1	0	0	0	118.9	T20	Y18-T20 PolarHBondContact O-N 3.2Å
19	P	37.9	Very low	43.5	Very low	121 Å²	121	139 Å²	139	79%	0.786	69%	0.688	S	S	*	*			trans	-63.6	132	-176.5	26	-33.3	0	0	0	110.9	R21	P19-R21 PolarHBondContact O-N 2.8Å
20	T	40.6	Very low	43.8	Very low	119 Å²	119	131.4 Å²	131.4	73%	0.73	68%	0.675	S	S	*	*			trans	-54.8	128.3	169.8	38.1	0	0	0	0	109.6	Y18 L22	Y18-T20 PolarHBondContact O-N 3.2Å; T20-L22 PolarHBondContact O-N 2.69Å
21	R	50.8	Low	44.1	Very low	208 Å²	208	130.1 Å²	130.1	79%	0.785	67%	0.674	S	S	*	*			trans	-44	107.6	176.1	-78.5	-179.9	172.6	162.5	-3.5	109.7	P19	P19-R21 PolarHBondContact O-N 2.8Å
22	L	44	Very low	44.6	Very low	131 Å²	131	121.5 Å²	121.5	69%	0.686	64%	0.643	S	S	*	*			trans	-105.7	131.8	177.4	-101	149.8	0	0	0	107.8	T20	T20-L22 PolarHBondContact O-N 2.69Å
23	F	38	Very low	44.7	Very low	172 Å²	172	115.2 Å²	115.2	75%	0.754	63%	0.628	S	S	*	*	S	Bend	trans	85.8	108.2	-176.8	-70.5	-89.3	0	0	0	115.7	Q25	F23-Q25 PolarHBondContact O-N 3.25Å
24	D	45.3	Very low	45.3	Very low	124 Å²	124	116.8 Å²	116.8	66%	0.663	62%	0.616	S	S	*	*			trans	-37.3	115.9	146.1	-174.1	2.8	0	0	0	109.6	F26	D24-F26 VanDerWaalsContact C-N 3.33Å; D24-F26 WeakPolarHBondContact OD1-CB 3.45Å; D24-F26 WeakPolarHBondContact OD1-CD2 3.24Å; D24-F26 PolarHBondContact OD1-N 2.93Å
25	Q	51.5	Low	45.9	Very low	68 Å²	68	111.3 Å²	111.3	32%	0.318	59%	0.588	S	S	.	*	S	Bend	trans	-96.5	12.3	-177.7	-78.1	169.5	76.1	0	0	111.7	F23 G63	F23-Q25 PolarHBondContact O-N 3.25Å; Q25-G63 WeakPolarHBondContact CB-O 3.44Å; Q25-G63 PolarHBondContact NE2-O 3.08Å; Q25-G63 VanDerWaalsContact OE1-C 3.22Å; Q25-G63 PolarHBondContact OE1-O 3.4Å
26	F	50.5	Low	46.9	Very low	41 Å²	41	111.6 Å²	111.6	18%	0.18	57%	0.57	C	S	.	*			trans	-99.1	19.8	-177.7	-60.1	-70	0	0	0	113.9	D24 G28 E29 N61	D24-F26 VanDerWaalsContact C-N 3.33Å; D24-F26 WeakPolarHBondContact OD1-CB 3.45Å; D24-F26 WeakPolarHBondContact OD1-CD2 3.24Å; D24-F26 PolarHBondContact OD1-N 2.93Å; F26-G28 PolarHBondContact O-N 3.14Å; F26-G28 VanDerWaalsContact O-N 3.12Å; F26-E29 VanDerWaalsContact CD1-OE2 3.27Å; F26-E29 WeakPolarHBondContact CD1-OE2 3.12Å; F26-E29 PolarHBondContact O-N 2.8Å; F26-N61 WeakPolarHBondContact CE1-O 3.28Å
27	F	44	Very low	47.4	Very low	191 Å²	191	112.7 Å²	112.7	84%	0.838	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	116.1	-179.8	-173.2	-94.4	0	0	0	111.2
28	G	46.3	Very low	47.6	Very low	37 Å²	37	111.9 Å²	111.9	38%	0.381	56%	0.564	S	S	.	*	T	Hydrogen-bonded Turn	trans	87.4	14.1	177.7	0	0	0	0	0	115.6	F26 R115	F26-G28 PolarHBondContact O-N 3.14Å; F26-G28 VanDerWaalsContact O-N 3.12Å; G28-R115 PolarHBondContact O-NH2 2.72Å
29	E	53.6	Low	47.8	Very low	36 Å²	36	111.2 Å²	111.2	17%	0.168	56%	0.561	C	S	.	*	P	Polyproline II helix	trans	-80.1	134.3	156.7	-72.6	-169.4	160.4	0	0	108.9	F26 F32 R54 N61 K81	F26-E29 VanDerWaalsContact CD1-OE2 3.27Å; F26-E29 WeakPolarHBondContact CD1-OE2 3.12Å; F26-E29 PolarHBondContact O-N 2.8Å; E29-F32 HydrophobicContact CB-CE2 3.99Å; E29-F32 HydrophobicContact CB-CZ 4.09Å; E29-F32 HydrophobicContact CG-CZ 4.48Å; E29-R54 IonicContact OE2-NH1 3.36Å; E29-R54 PolarHBondContact OE2-NH1 2.82Å; E29-N61 PolarHBondContact OE1-ND2 3.06Å; E29-N61 PolarHBondContact OE1-OD1 3.49Å; E29-N61 PolarHBondContact OE2-ND2 2.9Å; E29-K81 WeakPolarHBondContact OE1-CE 3.34Å; E29-K81 IonicContact OE1-NZ 2.71Å; E29-K81 PolarHBondContact OE1-NZ 3.01Å
30	G	51	Low	48.4	Very low	53 Å²	53	111.4 Å²	111.4	55%	0.546	56%	0.56	S	S	.	*	P	Polyproline II helix	trans	-59.5	156.6	178.6	0	0	0	0	0	112.2	F32	G30-F32 VanDerWaalsContact O-CD2 3.26Å; G30-F32 WeakPolarHBondContact O-CD2 3.4Å; G30-F32 WeakPolarHBondContact O-CE2 3.42Å; G30-F32 PolarHBondContact O-N 2.99Å
31	M	52.2	Low	48.8	Very low	149 Å²	149	109.6 Å²	109.6	73%	0.734	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-60.1	122.2	168.1	-65	-157.4	-53.5	0	0	108.1	L36	M31-L36 HydrophobicContact CE-CD2 3.8Å
32	F	52.8	Low	48.6	Very low	62 Å²	62	103.7 Å²	103.7	27%	0.272	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-83	158.7	-178.4	-64.5	-87.6	0	0	0	110.3	E29 G30 Y34 D35 L36	E29-F32 HydrophobicContact CB-CE2 3.99Å; E29-F32 HydrophobicContact CB-CZ 4.09Å; E29-F32 HydrophobicContact CG-CZ 4.48Å; G30-F32 VanDerWaalsContact O-CD2 3.26Å; G30-F32 WeakPolarHBondContact O-CD2 3.4Å; G30-F32 WeakPolarHBondContact O-CE2 3.42Å; G30-F32 PolarHBondContact O-N 2.99Å; F32-Y34 HydrophobicContact CB-CD1 3.54Å; F32-Y34 HydrophobicContact CB-CD2 4.1Å; F32-Y34 HydrophobicContact CB-CE1 3.15Å; F32-Y34 HydrophobicContact CB-CE2 3.74Å; F32-Y34 HydrophobicContact CB-CG 4.02Å; F32-Y34 AromaticContact CD1-CE1 3.99Å; F32-Y34 HydrophobicContact CD1-CE1 3.99Å; F32-Y34 HydrophobicContact CD2-CE1 4.06Å; F32-Y34 HydrophobicContact CD2-CE2 4.13Å; F32-Y34 AromaticContact CD2-CZ 3.47Å; F32-Y34 VanDerWaalsContact CD2-CZ 3.47Å; F32-Y34 WeakPolarHBondContact CD2-OH 3.34Å; F32-Y34 WeakPolarHBondContact CE2-OH 3.01Å; F32-Y34 HydrophobicContact CG-CD1 4.36Å; F32-Y34 AromaticContact CG-CE1 3.49Å; F32-Y34 HydrophobicContact CG-CE1 3.49Å; F32-Y34 VanDerWaalsContact CG-CE1 3.49Å; F32-Y34 HydrophobicContact CG-CE2 4.22Å; F32-Y34 AromaticContact CG-CZ 3.41Å; F32-Y34 VanDerWaalsContact CG-CZ 3.41Å; F32-Y34 VanDerWaalsContact CG-OH 3.3Å; F32-Y34 WeakPolarHBondContact CG-OH 3.33Å; F32-Y34 PolarHBondContact O-N 2.88Å; F32-D35 PolarHBondContact N-OD2 3.04Å; F32-D35 WeakPolarHBondContact O-CA 3.33Å; F32-D35 VanDerWaalsContact O-CB 3.32Å; F32-D35 WeakPolarHBondContact O-CB 3.17Å; F32-D35 PolarHBondContact O-N 3.21Å; F32-L36 PolarHBondContact O-N 3.09Å
33	D	44.8	Very low	48.9	Very low	121 Å²	121	104.7 Å²	104.7	65%	0.647	56%	0.559	S	S	*	*	H	α-helix	trans	-56.3	-28	179.5	-73.6	-35.2	0	0	0	113	D35 L36 F37	D33-D35 VanDerWaalsContact C-N 3.32Å; D33-D35 PolarHBondContact O-N 3.41Å; D33-L36 PolarHBondContact O-N 2.78Å; D33-L36 VanDerWaalsContact O-N 3.14Å; D33-F37 VanDerWaalsContact O-CD2 3.24Å; D33-F37 WeakPolarHBondContact O-CD2 2.8Å; D33-F37 PolarHBondContact O-N 2.91Å
34	Y	52.1	Low	49.4	Very low	119 Å²	119	101.1 Å²	101.1	47%	0.467	55%	0.547	S	S	.	.	H	α-helix	trans	-72.5	-21.1	174.2	57.1	-105.5	0	0	0	114	F32 L36 R54	F32-Y34 HydrophobicContact CB-CD1 3.54Å; F32-Y34 HydrophobicContact CB-CD2 4.1Å; F32-Y34 HydrophobicContact CB-CE1 3.15Å; F32-Y34 HydrophobicContact CB-CE2 3.74Å; F32-Y34 HydrophobicContact CB-CG 4.02Å; F32-Y34 AromaticContact CD1-CE1 3.99Å; F32-Y34 HydrophobicContact CD1-CE1 3.99Å; F32-Y34 HydrophobicContact CD2-CE1 4.06Å; F32-Y34 HydrophobicContact CD2-CE2 4.13Å; F32-Y34 AromaticContact CD2-CZ 3.47Å; F32-Y34 VanDerWaalsContact CD2-CZ 3.47Å; F32-Y34 WeakPolarHBondContact CD2-OH 3.34Å; F32-Y34 WeakPolarHBondContact CE2-OH 3.01Å; F32-Y34 HydrophobicContact CG-CD1 4.36Å; F32-Y34 AromaticContact CG-CE1 3.49Å; F32-Y34 HydrophobicContact CG-CE1 3.49Å; F32-Y34 VanDerWaalsContact CG-CE1 3.49Å; F32-Y34 HydrophobicContact CG-CE2 4.22Å; F32-Y34 AromaticContact CG-CZ 3.41Å; F32-Y34 VanDerWaalsContact CG-CZ 3.41Å; F32-Y34 VanDerWaalsContact CG-OH 3.3Å; F32-Y34 WeakPolarHBondContact CG-OH 3.33Å; F32-Y34 PolarHBondContact O-N 2.88Å; Y34-L36 VanDerWaalsContact C-N 3.31Å; Y34-R54 PolarHBondContact OH-NH2 2.79Å
35	D	51.4	Low	49.6	Very low	67 Å²	67	97.9 Å²	97.9	36%	0.358	53%	0.534	S	S	.	.	H	α-helix	trans	-77.6	-20.5	169.4	-63.6	-43	0	0	0	111.3	F32 D33 H50	F32-D35 PolarHBondContact N-OD2 3.04Å; F32-D35 WeakPolarHBondContact O-CA 3.33Å; F32-D35 VanDerWaalsContact O-CB 3.32Å; F32-D35 WeakPolarHBondContact O-CB 3.17Å; F32-D35 PolarHBondContact O-N 3.21Å; D33-D35 VanDerWaalsContact C-N 3.32Å; D33-D35 PolarHBondContact O-N 3.41Å; D35-H50 IonicContact OD1-CE1 3.93Å
36	L	54.8	Low	49.6	Very low	86 Å²	86	99.3 Å²	99.3	45%	0.45	55%	0.55	S	S	.	.	H	α-helix	trans	-90.5	-23.7	-178.8	-65.7	175.3	0	0	0	114.1	M31 F32 D33 Y34 P38	M31-L36 HydrophobicContact CE-CD2 3.8Å; F32-L36 PolarHBondContact O-N 3.09Å; D33-L36 PolarHBondContact O-N 2.78Å; D33-L36 VanDerWaalsContact O-N 3.14Å; Y34-L36 VanDerWaalsContact C-N 3.31Å; L36-P38 WeakPolarHBondContact O-CD 3.45Å
37	F	48.9	Very low	49.5	Very low	136 Å²	136	106.9 Å²	106.9	60%	0.596	58%	0.578	S	S	*	*			trans	-119.1	87.1	-175.4	-65	-70.8	0	0	0	113.5	D33 Y39	D33-F37 VanDerWaalsContact O-CD2 3.24Å; D33-F37 WeakPolarHBondContact O-CD2 2.8Å; D33-F37 PolarHBondContact O-N 2.91Å; F37-Y39 HydrophobicContact CD1-CD2 4.26Å; F37-Y39 PolarHBondContact O-N 2.94Å
38	P	47.8	Very low	49.5	Very low	104 Å²	104	106.1 Å²	106.1	68%	0.675	57%	0.571	S	S	*	*			trans	-76.7	16.3	178.8	32.5	-36	0	0	0	114.4	L36 T40	L36-P38 WeakPolarHBondContact O-CD 3.45Å; P38-T40 PolarHBondContact O-N 3.42Å
39	Y	44.6	Very low	49.6	Very low	191 Å²	191	107.4 Å²	107.4	75%	0.749	56%	0.564	S	S	*	*			trans	-89.5	0.7	-159.9	-67.9	-70.1	0	0	0	116.4	F37	F37-Y39 HydrophobicContact CD1-CD2 4.26Å; F37-Y39 PolarHBondContact O-N 2.94Å
40	T	51.9	Low	49.3	Very low	125 Å²	125	109.9 Å²	109.9	77%	0.767	58%	0.576	S	S	*	*	S	Bend	trans	-128	113.7	177.2	62.2	0	0	0	0	112	P38	P38-T40 PolarHBondContact O-N 3.42Å
41	A	47.5	Very low	49.1	Very low	80 Å²	80	110.9 Å²	110.9	66%	0.661	57%	0.574	S	S	*	*	S	Bend	trans	66	90.4	161	0	0	0	0	0	118.4	R49	A41-R49 VanDerWaalsContact C-NH1 3.34Å; A41-R49 PolarHBondContact O-NH1 3.08Å
42	S	47.2	Very low	48.6	Very low	85 Å²	85	109.7 Å²	109.7	59%	0.594	57%	0.571	S	S	*	*				152.4	166.2	120.9	-63.4	0	0	0	0	111.7	R49	S42-R49 PolarHBondContact O-NH2 3.27Å
43	T	50.1	Low	48.3	Very low	151 Å²	151	112.8 Å²	112.8	93%	0.926	58%	0.584	S	S	*	*	S	Bend	trans	-93.1	9.3	176.2	46.7	0	0	0	0	113.5
44	I	49.2	Very low	48.4	Very low	98 Å²	98	108.2 Å²	108.2	50%	0.503	56%	0.558	S	S	.	*	S	Bend	trans	-81.8	131.2	-179.7	-62.4	168.7	0	0	0	109.2	R49	I44-R49 HydrophobicContact CG2-CG 4.23Å; I44-R49 PolarHBondContact O-NE 3.27Å; I44-R49 PolarHBondContact O-NH2 3.48Å
45	S	50.6	Low	48	Very low	56 Å²	56	106.4 Å²	106.4	39%	0.392	56%	0.556	S	S	.	*			trans	-42.3	132.8	176.4	177.4	0	0	0	0	112.2	Y47 Y48	S45-Y47 PolarHBondContact O-N 2.63Å; S45-Y47 VanDerWaalsContact O-N 3.09Å; S45-Y48 PolarHBondContact O-N 3.47Å
46	P	49.6	Very low	47.7	Very low	98 Å²	98	110.2 Å²	110.2	64%	0.636	58%	0.576	S	S	*	*	H	α-helix	trans	-55.6	-31.7	-176.5	21	-31.9	0	0	0	112.4	Y48 R49 H50	P46-Y48 VanDerWaalsContact C-N 3.31Å; P46-Y48 PolarHBondContact O-N 2.9Å; P46-R49 PolarHBondContact O-N 3.39Å; P46-H50 PolarHBondContact O-N 2.85Å
47	Y	48.4	Very low	47.2	Very low	200 Å²	200	112.9 Å²	112.9	78%	0.784	59%	0.589	S	S	*	*	H	α-helix	trans	-62.4	-32.3	177.5	-62.8	-78	0	0	0	114.1	S45	S45-Y47 PolarHBondContact O-N 2.63Å; S45-Y47 VanDerWaalsContact O-N 3.09Å
48	Y	44.6	Very low	47.1	Very low	174 Å²	174	108 Å²	108	68%	0.682	57%	0.569	S	S	*	*	H	α-helix	trans	-84	-26.6	-178.8	-93.2	-84.5	0	0	0	113.2	S45 P46	S45-Y48 PolarHBondContact O-N 3.47Å; P46-Y48 VanDerWaalsContact C-N 3.31Å; P46-Y48 PolarHBondContact O-N 2.9Å
49	R	48.7	Very low	46.8	Very low	64 Å²	64	107.4 Å²	107.4	24%	0.242	57%	0.568	C	S	.	*	H	α-helix	trans	-75.5	-33.8	177	-65.1	-163.6	-150.8	158.4	20.1	112.7	A41 S42 I44 P46 S51 L52 F53	A41-R49 VanDerWaalsContact C-NH1 3.34Å; A41-R49 PolarHBondContact O-NH1 3.08Å; S42-R49 PolarHBondContact O-NH2 3.27Å; I44-R49 HydrophobicContact CG2-CG 4.23Å; I44-R49 PolarHBondContact O-NE 3.27Å; I44-R49 PolarHBondContact O-NH2 3.48Å; P46-R49 PolarHBondContact O-N 3.39Å; R49-S51 PolarHBondContact O-N 3.45Å; R49-L52 PolarHBondContact O-N 2.76Å; R49-L52 VanDerWaalsContact O-N 3.15Å; R49-F53 HydrophobicContact CB-CD2 4.09Å; R49-F53 HydrophobicContact CG-CD2 4.43Å; R49-F53 HydrophobicContact CG-CE2 4.48Å; R49-F53 PolarHBondContact O-N 2.82Å
50	H	48.2	Very low	46.7	Very low	88 Å²	88	103.3 Å²	103.3	41%	0.407	57%	0.568	S	S	.	*	H	α-helix	trans	-56.7	-35.7	-178.9	-153	83.4	0	0	0	112.1	D35 P46 R54	D35-H50 IonicContact OD1-CE1 3.93Å; P46-H50 PolarHBondContact O-N 2.85Å; H50-R54 PolarHBondContact NE2-NE 3.35Å; H50-R54 VanDerWaalsContact NE2-NE 3.18Å; H50-R54 WeakPolarHBondContact O-CB 3.36Å
51	S	45.8	Very low	46.3	Very low	74 Å²	74	99.1 Å²	99.1	52%	0.517	54%	0.54	S	S	.	.	H	α-helix	trans	-80.3	-27.7	179.7	-177.4	0	0	0	0	114.7	R49 N55	R49-S51 PolarHBondContact O-N 3.45Å; S51-N55 PolarHBondContact O-ND2 3.47Å
52	L	41.4	Very low	46.4	Very low	125 Å²	125	95.9 Å²	95.9	65%	0.654	51%	0.513	S	S	*	.	H	α-helix	trans	-98	-37.6	-171.1	-66.6	177.1	0	0	0	112.5	R49	R49-L52 PolarHBondContact O-N 2.76Å; R49-L52 VanDerWaalsContact O-N 3.15Å
53	F	46.1	Very low	46.7	Very low	126 Å²	126	92.4 Å²	92.4	55%	0.553	49%	0.49	S	S	*	.	H	α-helix	trans	-80.8	-36	178.8	-80	-84.4	0	0	0	112.7	R49 L56 L57	R49-F53 HydrophobicContact CB-CD2 4.09Å; R49-F53 HydrophobicContact CG-CD2 4.43Å; R49-F53 HydrophobicContact CG-CE2 4.48Å; R49-F53 PolarHBondContact O-N 2.82Å; F53-L56 PolarHBondContact O-N 2.67Å; F53-L57 PolarHBondContact O-N 2.81Å; F53-L57 VanDerWaalsContact O-N 3.14Å
54	R	47.3	Very low	47.2	Very low	26 Å²	26	87.7 Å²	87.7	10%	0.098	46%	0.459	C	S	.	.	H	α-helix	trans	-65.8	-40.6	179.6	-152.2	-175.5	-124.4	-97.5	0.5	111.7	E29 Y34 H50 L56 D58	E29-R54 IonicContact OE2-NH1 3.36Å; E29-R54 PolarHBondContact OE2-NH1 2.82Å; Y34-R54 PolarHBondContact OH-NH2 2.79Å; H50-R54 PolarHBondContact NE2-NE 3.35Å; H50-R54 VanDerWaalsContact NE2-NE 3.18Å; H50-R54 WeakPolarHBondContact O-CB 3.36Å; R54-L56 VanDerWaalsContact C-N 3.31Å; R54-L56 PolarHBondContact O-N 2.85Å; R54-D58 WeakPolarHBondContact O-CA 3.3Å; R54-D58 WeakPolarHBondContact O-CB 3.46Å; R54-D58 PolarHBondContact O-N 3.45Å
55	N	43.2	Very low	48.4	Very low	81 Å²	81	83.7 Å²	83.7	43%	0.433	44%	0.44	S	S	.	.	H	α-helix	trans	-67.6	-25.8	175.7	-82.4	-20.8	0	0	0	114.3	S51	S51-N55 PolarHBondContact O-ND2 3.47Å
56	L	45.7	Very low	50	Low	147 Å²	147	84.3 Å²	84.3	77%	0.77	44%	0.436	S	S	*	.	H	α-helix	trans	-89.3	-32.2	-175.7	-154.3	103.6	0	0	0	112.6	F53 R54	F53-L56 PolarHBondContact O-N 2.67Å; R54-L56 VanDerWaalsContact C-N 3.31Å; R54-L56 PolarHBondContact O-N 2.85Å
57	L	44.2	Very low	51.8	Low	141 Å²	141	83 Å²	83	74%	0.738	43%	0.427	S	S	*	.	H	α-helix	trans	-95.6	-26.9	-178.8	-69.5	163.7	0	0	0	112.8	F53	F53-L57 PolarHBondContact O-N 2.81Å; F53-L57 VanDerWaalsContact O-N 3.14Å
58	D	47.4	Very low	53.7	Low	33 Å²	33	78.5 Å²	78.5	18%	0.176	41%	0.408	C	S	.	.			trans	-125.6	39.3	-163.5	-145.6	15.2	0	0	0	112.5	R54 S60 N61 S62	R54-D58 WeakPolarHBondContact O-CA 3.3Å; R54-D58 WeakPolarHBondContact O-CB 3.46Å; R54-D58 PolarHBondContact O-N 3.45Å; D58-S60 PolarHBondContact O-N 3.39Å; D58-N61 HydrophobicContact CB-CB 4.37Å; D58-N61 PolarHBondContact O-N 2.82Å; D58-N61 WeakPolarHBondContact OD1-CB 3.33Å; D58-N61 VanDerWaalsContact OD2-CB 3.25Å; D58-N61 WeakPolarHBondContact OD2-CB 3.48Å; D58-N61 PolarHBondContact OD2-ND2 3.41Å; D58-N61 VanDerWaalsContact OD2-ND2 3.11Å; D58-S62 PolarHBondContact O-N 3.28Å
59	S	42.3	Very low	55.8	Low	93 Å²	93	73.5 Å²	73.5	65%	0.65	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-21.6	-179.6	-144.1	0	0	0	0	112.9
60	S	42.1	Very low	57.8	Low	105 Å²	105	74 Å²	74	73%	0.734	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-13.1	177.1	47.5	0	0	0	0	115	D58	D58-S60 PolarHBondContact O-N 3.39Å
61	N	44.1	Very low	59.7	Low	36 Å²	36	79.1 Å²	79.1	19%	0.193	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.2	-10	-170.2	-157.6	58.6	0	0	0	112.2	F26 E29 D58 G63 K81	F26-N61 WeakPolarHBondContact CE1-O 3.28Å; E29-N61 PolarHBondContact OE1-ND2 3.06Å; E29-N61 PolarHBondContact OE1-OD1 3.49Å; E29-N61 PolarHBondContact OE2-ND2 2.9Å; D58-N61 HydrophobicContact CB-CB 4.37Å; D58-N61 PolarHBondContact O-N 2.82Å; D58-N61 WeakPolarHBondContact OD1-CB 3.33Å; D58-N61 VanDerWaalsContact OD2-CB 3.25Å; D58-N61 WeakPolarHBondContact OD2-CB 3.48Å; D58-N61 PolarHBondContact OD2-ND2 3.41Å; D58-N61 VanDerWaalsContact OD2-ND2 3.11Å; N61-G63 PolarHBondContact O-N 3.08Å; N61-K81 PolarHBondContact O-NZ 2.75Å; N61-K81 WeakPolarHBondContact OD1-CE 3.41Å; N61-K81 PolarHBondContact OD1-NZ 2.81Å
62	S	49.1	Very low	61.8	Low	13 Å²	13	81.8 Å²	81.8	9%	0.091	44%	0.436	C	S	.	.	S	Bend	trans	-61.9	115.3	168.2	-174.5	0	0	0	0	108.2	D58 I64	D58-S62 PolarHBondContact O-N 3.28Å; S62-I64 VanDerWaalsContact CB-CD1 3.44Å; S62-I64 WeakPolarHBondContact O-CG1 3.47Å; S62-I64 PolarHBondContact O-N 3.03Å; S62-I64 WeakPolarHBondContact OG-CD1 3.41Å; S62-I64 WeakPolarHBondContact OG-CG1 3.33Å
63	G	52.8	Low	64.2	Low	11 Å²	11	80 Å²	80	11%	0.113	42%	0.423	C	S	.	.			trans	-58.2	80.2	169.7	0	0	0	0	0	109	Q25 N61	Q25-G63 WeakPolarHBondContact CB-O 3.44Å; Q25-G63 PolarHBondContact NE2-O 3.08Å; Q25-G63 VanDerWaalsContact OE1-C 3.22Å; Q25-G63 PolarHBondContact OE1-O 3.4Å; N61-G63 PolarHBondContact O-N 3.08Å
64	I	61	Low	66.4	Low	52 Å²	52	74.6 Å²	74.6	27%	0.267	40%	0.399	S	S	.	.			trans	-100.4	121.2	-173.1	-70.3	164.1	0	0	0	104.9	S62 E66 D79	S62-I64 VanDerWaalsContact CB-CD1 3.44Å; S62-I64 WeakPolarHBondContact O-CG1 3.47Å; S62-I64 PolarHBondContact O-N 3.03Å; S62-I64 WeakPolarHBondContact OG-CD1 3.41Å; S62-I64 WeakPolarHBondContact OG-CG1 3.33Å; I64-E66 HydrophobicContact CG2-CB 4.24Å; I64-D79 PolarHBondContact O-N 2.8Å
65	S	73.8	Confident	68.6	Low	15 Å²	15	73.4 Å²	73.4	11%	0.105	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	123.2	156.7	165.3	0	0	0	0	107.8	Y77 R119 Y121	S65-Y77 CarbonylContact C-O 3.59Å; S65-Y77 VanDerWaalsContact CA-O 3.22Å; S65-Y77 WeakPolarHBondContact CA-O 3.42Å; S65-R119 PolarHBondContact OG-NH2 3.13Å; S65-Y121 WeakPolarHBondContact OG-CE1 3.44Å; S65-Y121 PolarHBondContact OG-OH 2.81Å
66	E	85.1	Confident	71	Confident	68 Å²	68	69.6 Å²	69.6	32%	0.318	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	130	174.4	-170.5	-177.7	175.9	0	0	108.9	I64 R68 V76 Y77	I64-E66 HydrophobicContact CG2-CB 4.24Å; E66-R68 VanDerWaalsContact CD-NE 3.28Å; E66-R68 VanDerWaalsContact CD-NH2 3.27Å; E66-R68 HydrophobicContact CG-CG 4.26Å; E66-R68 IonicContact OE1-CZ 3.43Å; E66-R68 VanDerWaalsContact OE1-CZ 3.28Å; E66-R68 IonicContact OE1-NE 3.32Å; E66-R68 PolarHBondContact OE1-NE 2.78Å; E66-R68 IonicContact OE1-NH2 3.76Å; E66-R68 PolarHBondContact OE1-NH2 2.83Å; E66-R68 IonicContact OE2-CZ 2.73Å; E66-R68 IonicContact OE2-NE 2.76Å; E66-R68 IonicContact OE2-NH2 2.72Å; E66-R68 PolarHBondContact OE2-NH2 2.9Å; E66-V76 CarbonylContact O-C 3.56Å; E66-V76 WeakPolarHBondContact O-CA 3.46Å; E66-Y77 HydrophobicContact CB-CD2 4.23Å; E66-Y77 PolarHBondContact N-O 2.79Å; E66-Y77 PolarHBondContact O-N 2.86Å
67	V	87.4	Confident	73.2	Confident	71 Å²	71	65.1 Å²	65.1	43%	0.43	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	121.2	175	-178.1	0	0	0	0	107.8	F74 T75 V76 Y121	V67-F74 HydrophobicContact CG1-CD2 4.38Å; V67-F74 HydrophobicContact CG1-CE2 3.38Å; V67-F74 HydrophobicContact CG1-CZ 3.51Å; V67-T75 WeakPolarHBondContact CA-O 3.39Å; V67-V76 HydrophobicContact CG1-CG2 4.4Å; V67-V76 HydrophobicContact CG2-CG1 4.46Å; V67-V76 HydrophobicContact CG2-CG2 4.28Å; V67-Y121 HydrophobicContact CG2-CD1 3.77Å; V67-Y121 HydrophobicContact CG2-CE1 3.7Å
68	R	88.6	Confident	75.4	Confident	106 Å²	106	58.6 Å²	58.6	40%	0.4	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	138.7	176.5	-61.8	-167.4	-177.8	160.2	7.3	110.3	E66 T75 Y77	E66-R68 VanDerWaalsContact CD-NE 3.28Å; E66-R68 VanDerWaalsContact CD-NH2 3.27Å; E66-R68 HydrophobicContact CG-CG 4.26Å; E66-R68 IonicContact OE1-CZ 3.43Å; E66-R68 VanDerWaalsContact OE1-CZ 3.28Å; E66-R68 IonicContact OE1-NE 3.32Å; E66-R68 PolarHBondContact OE1-NE 2.78Å; E66-R68 IonicContact OE1-NH2 3.76Å; E66-R68 PolarHBondContact OE1-NH2 2.83Å; E66-R68 IonicContact OE2-CZ 2.73Å; E66-R68 IonicContact OE2-NE 2.76Å; E66-R68 IonicContact OE2-NH2 2.72Å; E66-R68 PolarHBondContact OE2-NH2 2.9Å; R68-T75 PolarHBondContact N-O 2.84Å; R68-T75 PolarHBondContact O-N 2.9Å; R68-Y77 HydrophobicContact CG-CE2 4.22Å
69	S	88.4	Confident	77.4	Confident	69 Å²	69	58.4 Å²	58.4	48%	0.483	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	93.6	174.6	-159.5	0	0	0	0	108.5	K148	S69-K148 WeakPolarHBondContact OG-CE 3.31Å; S69-K148 PolarHBondContact OG-NZ 2.87Å
70	D	89.3	Confident	79.7	Confident	75 Å²	75	54.2 Å²	54.2	40%	0.401	28%	0.283	S	S	.	.			trans	-82.7	176.7	177.3	-61.7	-37	0	0	0	110.2	D72 K73 K148	D70-D72 VanDerWaalsContact C-N 3.26Å; D70-D72 PolarHBondContact O-N 2.81Å; D70-K73 HydrophobicContact CB-CG 4.08Å; D70-K73 PolarHBondContact N-O 2.86Å; D70-K73 VanDerWaalsContact OD2-CE 3.28Å; D70-K73 WeakPolarHBondContact OD2-CE 3.38Å; D70-K148 WeakPolarHBondContact O-CD 3.41Å; D70-K148 WeakPolarHBondContact O-CE 2.92Å; D70-K148 PolarHBondContact O-NZ 3.11Å
71	K	87.9	Confident	81.9	Confident	194 Å²	194	51.9 Å²	51.9	84%	0.843	26%	0.259	S	S	*	.	S	Bend	trans	-61.6	-37.4	177.3	-68.5	-177.8	-178.8	178.3	0	112.5	K148	K71-K148 WeakPolarHBondContact O-CD 3.25Å
72	D	89.8	Confident	84	Confident	131 Å²	131	53.5 Å²	53.5	70%	0.701	27%	0.266	S	S	*	.	S	Bend	trans	-107.4	-16.9	-169.8	-49.5	-50.9	0	0	0	113.4	D70 K148	D70-D72 VanDerWaalsContact C-N 3.26Å; D70-D72 PolarHBondContact O-N 2.81Å; D72-K148 PolarHBondContact O-N 2.95Å
73	K	92.5	Very high	85.9	Confident	87 Å²	87	54.2 Å²	54.2	38%	0.378	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	158.9	-175.2	66	177.6	179.2	180	0	113.7	D70 G146	D70-K73 HydrophobicContact CB-CG 4.08Å; D70-K73 PolarHBondContact N-O 2.86Å; D70-K73 VanDerWaalsContact OD2-CE 3.28Å; D70-K73 WeakPolarHBondContact OD2-CE 3.38Å; K73-G146 CarbonylContact C-O 3.58Å; K73-G146 WeakPolarHBondContact CA-O 3.45Å
74	F	93.1	Very high	87.7	Confident	12 Å²	12	55.4 Å²	55.4	5%	0.053	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	130.4	169.3	175.3	-95.9	0	0	0	108.6	V67 V76 L123 P124 V127 S145 G146	V67-F74 HydrophobicContact CG1-CD2 4.38Å; V67-F74 HydrophobicContact CG1-CE2 3.38Å; V67-F74 HydrophobicContact CG1-CZ 3.51Å; F74-V76 HydrophobicContact CD1-CG2 4.4Å; F74-V76 HydrophobicContact CE1-CG2 3.5Å; F74-V76 HydrophobicContact CZ-CG2 3.82Å; F74-L123 HydrophobicContact CD1-CD2 4Å; F74-L123 HydrophobicContact CE1-CD2 3.65Å; F74-L123 HydrophobicContact CZ-CD2 4.39Å; F74-P124 HydrophobicContact CD2-CG 4.05Å; F74-P124 HydrophobicContact CE2-CG 4.21Å; F74-V127 HydrophobicContact CB-CG1 4.44Å; F74-V127 HydrophobicContact CB-CG2 3.5Å; F74-V127 VanDerWaalsContact CB-CG2 3.5Å; F74-V127 HydrophobicContact CG-CG2 4.01Å; F74-S145 WeakPolarHBondContact O-CA 3.33Å; F74-G146 PolarHBondContact N-O 3.37Å; F74-G146 PolarHBondContact O-N 3.43Å
75	T	93.6	Very high	89.1	Confident	2 Å²	2	53.7 Å²	53.7	1%	0.012	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	137.6	-175.4	-44	0	0	0	0	110.7	V67 R68 Y77 T143 L144	V67-T75 WeakPolarHBondContact CA-O 3.39Å; R68-T75 PolarHBondContact N-O 2.84Å; R68-T75 PolarHBondContact O-N 2.9Å; T75-Y77 HydrophobicContact CG2-CD2 4.28Å; T75-Y77 HydrophobicContact CG2-CE1 4.11Å; T75-Y77 HydrophobicContact CG2-CE2 3.64Å; T75-T143 HydrophobicContact CG2-CG2 3.96Å; T75-L144 CarbonylContact C-O 3.6Å; T75-L144 WeakPolarHBondContact CA-O 3.27Å; T75-L144 WeakPolarHBondContact CG2-O 3.13Å
76	V	92.8	Very high	90.1	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	128.7	171.1	-179.4	0	0	0	0	108.4	E66 V67 F74 L97 Y121 T143 L144	E66-V76 CarbonylContact O-C 3.56Å; E66-V76 WeakPolarHBondContact O-CA 3.46Å; V67-V76 HydrophobicContact CG1-CG2 4.4Å; V67-V76 HydrophobicContact CG2-CG1 4.46Å; V67-V76 HydrophobicContact CG2-CG2 4.28Å; F74-V76 HydrophobicContact CD1-CG2 4.4Å; F74-V76 HydrophobicContact CE1-CG2 3.5Å; F74-V76 HydrophobicContact CZ-CG2 3.82Å; V76-L97 HydrophobicContact CG2-CD2 4.17Å; V76-Y121 HydrophobicContact CG1-CD2 4.25Å; V76-Y121 HydrophobicContact CG1-CE1 4.03Å; V76-Y121 HydrophobicContact CG1-CE2 3.72Å; V76-Y121 HydrophobicContact CG2-CG 4.5Å; V76-T143 CarbonylContact O-C 3.57Å; V76-T143 WeakPolarHBondContact O-CA 3.44Å; V76-L144 HydrophobicContact CB-CB 4.3Å; V76-L144 HydrophobicContact CB-CD1 4.2Å; V76-L144 HydrophobicContact CG1-CD1 4.33Å; V76-L144 PolarHBondContact N-O 2.99Å; V76-L144 PolarHBondContact O-N 3.26Å
77	Y	90.9	Very high	90.5	Very high	54 Å²	54	58 Å²	58	21%	0.212	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	134.4	169.2	-59.1	-79.9	0	0	0	108.4	S65 E66 R68 T75 L141 L142 T143	S65-Y77 CarbonylContact C-O 3.59Å; S65-Y77 VanDerWaalsContact CA-O 3.22Å; S65-Y77 WeakPolarHBondContact CA-O 3.42Å; E66-Y77 HydrophobicContact CB-CD2 4.23Å; E66-Y77 PolarHBondContact N-O 2.79Å; E66-Y77 PolarHBondContact O-N 2.86Å; R68-Y77 HydrophobicContact CG-CE2 4.22Å; T75-Y77 HydrophobicContact CG2-CD2 4.28Å; T75-Y77 HydrophobicContact CG2-CE1 4.11Å; T75-Y77 HydrophobicContact CG2-CE2 3.64Å; Y77-L141 HydrophobicContact CD1-CD2 4.07Å; Y77-L142 CarbonylContact C-O 3.54Å; Y77-L142 WeakPolarHBondContact CA-O 3.45Å; Y77-T143 HydrophobicContact CD1-CG2 4.03Å; Y77-T143 HydrophobicContact CE1-CG2 3.71Å
78	L	91.8	Very high	90.9	Very high	4 Å²	4	55.4 Å²	55.4	2%	0.021	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	120.4	178.8	179.7	67.5	0	0	0	110.2	V80 I99 F117 L142	L78-V80 HydrophobicContact CD2-CG1 3.81Å; L78-V80 HydrophobicContact CG-CG1 3.82Å; L78-V80 PolarHBondContact O-N 3.36Å; L78-I99 HydrophobicContact CD2-CD1 3.98Å; L78-I99 HydrophobicContact CD2-CG2 4.08Å; L78-F117 HydrophobicContact CD2-CE2 3.82Å; L78-F117 HydrophobicContact CD2-CZ 4.08Å; L78-L142 HydrophobicContact CB-CB 4.35Å; L78-L142 PolarHBondContact N-O 2.99Å; L78-L142 WeakPolarHBondContact O-CB 3.49Å; L78-L142 PolarHBondContact O-N 2.95Å
79	D	88.1	Confident	91.4	Very high	29 Å²	29	53.2 Å²	53.2	16%	0.155	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	121.7	169.2	-178.8	3	0	0	0	110.3	I64 K81	I64-D79 PolarHBondContact O-N 2.8Å; D79-K81 WeakPolarHBondContact OD1-CB 3.42Å; D79-K81 WeakPolarHBondContact OD1-CG 3.44Å; D79-K81 PolarHBondContact OD1-N 2.9Å; D79-K81 IonicContact OD2-NZ 3.93Å; D79-K81 PolarHBondContact OD2-NZ 2.79Å
80	V	90.6	Very high	91.8	Very high	5 Å²	5	50 Å²	50	3%	0.03	25%	0.252	C	S	.	.			trans	-133.4	26.2	177.5	-59.7	0	0	0	0	111.7	L78 H82 F83 L88 F117 L136 G140 L142	L78-V80 HydrophobicContact CD2-CG1 3.81Å; L78-V80 HydrophobicContact CG-CG1 3.82Å; L78-V80 PolarHBondContact O-N 3.36Å; V80-H82 PolarHBondContact O-N 2.98Å; V80-F83 HydrophobicContact CB-CD2 4.32Å; V80-F83 PolarHBondContact O-N 2.91Å; V80-L88 HydrophobicContact CB-CD1 4.37Å; V80-L88 HydrophobicContact CB-CD2 4.21Å; V80-L88 HydrophobicContact CG1-CD2 4.23Å; V80-L88 HydrophobicContact CG2-CD1 3.76Å; V80-L88 HydrophobicContact CG2-CD2 4.46Å; V80-F117 HydrophobicContact CG1-CE1 3.96Å; V80-F117 HydrophobicContact CG1-CZ 3.69Å; V80-L136 HydrophobicContact CG2-CD1 3.41Å; V80-L136 VanDerWaalsContact CG2-CD1 3.41Å; V80-G140 CarbonylContact C-O 3.56Å; V80-G140 VanDerWaalsContact CG2-O 3.32Å; V80-G140 WeakPolarHBondContact CG2-O 3.45Å; V80-G140 PolarHBondContact N-O 3.32Å; V80-L142 HydrophobicContact CG1-CB 4.22Å; V80-L142 HydrophobicContact CG1-CD2 4.41Å; V80-L142 HydrophobicContact CG2-CB 3.8Å
81	K	88.6	Confident	92.1	Very high	56 Å²	56	49.4 Å²	49.4	24%	0.243	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51	-22.5	-176	70.7	-164.7	176.7	-158.1	0	116.1	E29 N61 D79 F83 G140	E29-K81 WeakPolarHBondContact OE1-CE 3.34Å; E29-K81 IonicContact OE1-NZ 2.71Å; E29-K81 PolarHBondContact OE1-NZ 3.01Å; N61-K81 PolarHBondContact O-NZ 2.75Å; N61-K81 WeakPolarHBondContact OD1-CE 3.41Å; N61-K81 PolarHBondContact OD1-NZ 2.81Å; D79-K81 WeakPolarHBondContact OD1-CB 3.42Å; D79-K81 WeakPolarHBondContact OD1-CG 3.44Å; D79-K81 PolarHBondContact OD1-N 2.9Å; D79-K81 IonicContact OD2-NZ 3.93Å; D79-K81 PolarHBondContact OD2-NZ 2.79Å; K81-F83 VanDerWaalsContact C-N 3.32Å; K81-G140 PolarHBondContact N-O 3.46Å
82	H	88	Confident	92.5	Very high	70 Å²	70	40.2 Å²	40.2	32%	0.324	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	1.6	177.6	-59.2	-57.1	0	0	0	114.4	V80	V80-H82 PolarHBondContact O-N 2.98Å
83	F	90.4	Very high	92.7	Very high	27 Å²	27	35.3 Å²	35.3	12%	0.118	18%	0.18	C	C	.	.	S	Bend	trans	-123	138.9	-176.8	-61.3	-91	0	0	0	110.7	V80 K81 E87 L88 G101 H103 R115 F117	V80-F83 HydrophobicContact CB-CD2 4.32Å; V80-F83 PolarHBondContact O-N 2.91Å; K81-F83 VanDerWaalsContact C-N 3.32Å; F83-E87 WeakPolarHBondContact CA-OE2 3.21Å; F83-E87 HydrophobicContact CB-CB 4.41Å; F83-E87 HydrophobicContact CD1-CB 4.3Å; F83-L88 HydrophobicContact CB-CD2 3.79Å; F83-L88 HydrophobicContact CB-CG 4.04Å; F83-L88 HydrophobicContact CG-CD2 4.19Å; F83-G101 WeakPolarHBondContact CE1-O 3.42Å; F83-H103 HydrophobicContact CD1-CB 4Å; F83-H103 HydrophobicContact CE1-CB 3.77Å; F83-R115 HydrophobicContact CE1-CB 4.15Å; F83-R115 WeakPolarHBondContact CE1-O 3.31Å; F83-R115 HydrophobicContact CZ-CB 3.71Å; F83-F117 HydrophobicContact CD1-CE1 4.46Å; F83-F117 HydrophobicContact CD2-CD1 4.06Å; F83-F117 AromaticContact CD2-CE1 3.75Å; F83-F117 HydrophobicContact CD2-CE1 3.75Å; F83-F117 HydrophobicContact CE1-CD1 4.11Å; F83-F117 HydrophobicContact CE1-CE1 4.36Å; F83-F117 AromaticContact CE2-CD1 3.46Å; F83-F117 HydrophobicContact CE2-CD1 3.46Å; F83-F117 VanDerWaalsContact CE2-CD1 3.46Å; F83-F117 AromaticContact CE2-CE1 3.65Å; F83-F117 HydrophobicContact CE2-CE1 3.65Å; F83-F117 HydrophobicContact CG-CE1 4.17Å; F83-F117 AromaticContact CZ-CD1 3.49Å; F83-F117 HydrophobicContact CZ-CD1 3.49Å; F83-F117 VanDerWaalsContact CZ-CD1 3.49Å; F83-F117 AromaticContact CZ-CE1 3.98Å; F83-F117 HydrophobicContact CZ-CE1 3.98Å
84	S	90	Very high	92.5	Very high	37 Å²	37	36.6 Å²	36.6	26%	0.259	19%	0.191	S	C	.	.			trans	-79.5	158.9	167.1	73.5	0	0	0	0	110.6	D86 E87 L88	S84-D86 PolarHBondContact O-N 2.87Å; S84-D86 VanDerWaalsContact O-N 3.16Å; S84-E87 PolarHBondContact N-OE2 3.42Å; S84-E87 VanDerWaalsContact N-OE2 3.08Å; S84-E87 WeakPolarHBondContact O-CB 3.38Å; S84-E87 PolarHBondContact O-N 2.84Å; S84-E87 WeakPolarHBondContact OG-CG 3.45Å; S84-L88 WeakPolarHBondContact O-CG 3.28Å; S84-L88 PolarHBondContact O-N 3.15Å
85	P	91.4	Very high	92.4	Very high	16 Å²	16	37.9 Å²	37.9	10%	0.104	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-54.2	-33.8	175	-17.2	22.6	0	0	0	113.7	E87 L88 L136 V164 R166	P85-E87 PolarHBondContact O-N 2.83Å; P85-L88 PolarHBondContact O-N 2.97Å; P85-L88 VanDerWaalsContact O-N 3.15Å; P85-L136 HydrophobicContact CB-CD2 4.36Å; P85-L136 HydrophobicContact CG-CD2 3.77Å; P85-V164 HydrophobicContact CB-CG1 4.26Å; P85-R166 HydrophobicContact CG-CG 3.85Å; P85-R166 VanDerWaalsContact CG-CZ 3.49Å
86	D	93.4	Very high	92.4	Very high	149 Å²	149	41.3 Å²	41.3	80%	0.797	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-72.2	-19.2	-179.4	-56.3	-39.9	0	0	0	112.2	S84	S84-D86 PolarHBondContact O-N 2.87Å; S84-D86 VanDerWaalsContact O-N 3.16Å
87	E	94.5	Very high	92.5	Very high	24 Å²	24	41.4 Å²	41.4	11%	0.112	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-89.1	-6.1	174.8	-68.2	165.5	-173.4	0	0	112.4	F83 S84 P85 G101 K102 H103 R106	F83-E87 WeakPolarHBondContact CA-OE2 3.21Å; F83-E87 HydrophobicContact CB-CB 4.41Å; F83-E87 HydrophobicContact CD1-CB 4.3Å; S84-E87 PolarHBondContact N-OE2 3.42Å; S84-E87 VanDerWaalsContact N-OE2 3.08Å; S84-E87 WeakPolarHBondContact O-CB 3.38Å; S84-E87 PolarHBondContact O-N 2.84Å; S84-E87 WeakPolarHBondContact OG-CG 3.45Å; P85-E87 PolarHBondContact O-N 2.83Å; E87-G101 CarbonylContact O-C 3.5Å; E87-G101 WeakPolarHBondContact O-CA 3.37Å; E87-K102 WeakPolarHBondContact CB-O 3.48Å; E87-K102 WeakPolarHBondContact CG-O 3.47Å; E87-K102 PolarHBondContact O-N 3.31Å; E87-H103 IonicContact OE1-CE1 4Å; E87-H103 IonicContact OE1-ND1 2.76Å; E87-H103 PolarHBondContact OE1-ND1 2.61Å; E87-H103 IonicContact OE2-CE1 3.72Å; E87-H103 IonicContact OE2-CG 2.83Å; E87-H103 IonicContact OE2-ND1 3.57Å; E87-H103 PolarHBondContact OE2-ND1 2.98Å; E87-R106 IonicContact OE1-CZ 3.56Å; E87-R106 IonicContact OE1-NH1 3Å; E87-R106 PolarHBondContact OE1-NH1 2.71Å; E87-R106 IonicContact OE1-NH2 3.28Å; E87-R106 PolarHBondContact OE1-NH2 3.2Å
88	L	96.2	Very high	92.7	Very high	16 Å²	16	39.8 Å²	39.8	8%	0.084	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	131.2	-178.1	-65.1	171.5	0	0	0	111	V80 F83 S84 P85 Q100 F117 L136 L142 V164	V80-L88 HydrophobicContact CB-CD1 4.37Å; V80-L88 HydrophobicContact CB-CD2 4.21Å; V80-L88 HydrophobicContact CG1-CD2 4.23Å; V80-L88 HydrophobicContact CG2-CD1 3.76Å; V80-L88 HydrophobicContact CG2-CD2 4.46Å; F83-L88 HydrophobicContact CB-CD2 3.79Å; F83-L88 HydrophobicContact CB-CG 4.04Å; F83-L88 HydrophobicContact CG-CD2 4.19Å; S84-L88 WeakPolarHBondContact O-CG 3.28Å; S84-L88 PolarHBondContact O-N 3.15Å; P85-L88 PolarHBondContact O-N 2.97Å; P85-L88 VanDerWaalsContact O-N 3.15Å; L88-Q100 CarbonylContact C-O 3.57Å; L88-Q100 WeakPolarHBondContact CA-O 3.22Å; L88-F117 HydrophobicContact CD2-CE1 3.89Å; L88-F117 HydrophobicContact CD2-CZ 3.85Å; L88-L136 HydrophobicContact CD1-CD2 4.14Å; L88-L142 HydrophobicContact CD1-CD1 4.22Å; L88-V164 HydrophobicContact CB-CG2 4.25Å
89	S	97.3	Very high	92.9	Very high	60 Å²	60	39.6 Å²	39.6	42%	0.42	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	123.9	171.4	-172.3	0	0	0	0	109.4	I99 Q100	S89-I99 CarbonylContact O-C 3.55Å; S89-I99 WeakPolarHBondContact O-CA 3.23Å; S89-Q100 PolarHBondContact N-O 3.05Å; S89-Q100 PolarHBondContact O-N 2.76Å
90	V	97.6	Very high	93.3	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.018	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	127.7	176	-179.4	0	0	0	0	108.2	L97 E98 I99 L142 L144 I162 V164	V90-L97 HydrophobicContact CG1-CD1 3.92Å; V90-E98 WeakPolarHBondContact CA-O 3.49Å; V90-I99 HydrophobicContact CG2-CG2 4.26Å; V90-L142 HydrophobicContact CG2-CD2 4.34Å; V90-L144 HydrophobicContact CB-CD2 4.49Å; V90-L144 HydrophobicContact CG1-CD2 3.38Å; V90-L144 HydrophobicContact CG2-CD2 4.3Å; V90-I162 HydrophobicContact CB-CB 4.26Å; V90-I162 HydrophobicContact CG1-CB 3.92Å; V90-I162 HydrophobicContact CG1-CD1 4.1Å; V90-I162 HydrophobicContact CG1-CG1 4.38Å; V90-I162 PolarHBondContact O-N 3.37Å; V90-V164 HydrophobicContact CG2-CG2 3.91Å
91	K	96.6	Very high	93.5	Very high	62 Å²	62	41.2 Å²	41.2	27%	0.27	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	151.2	177.5	64.4	-176.4	179.9	157.2	0	111.2	E98 R160	K91-E98 HydrophobicContact CD-CB 4.46Å; K91-E98 WeakPolarHBondContact CE-OE2 3.43Å; K91-E98 HydrophobicContact CG-CB 3.81Å; K91-E98 PolarHBondContact N-O 2.74Å; K91-E98 IonicContact NZ-OE2 3.11Å; K91-E98 PolarHBondContact NZ-OE2 2.79Å; K91-E98 PolarHBondContact O-N 2.94Å; K91-R160 CarbonylContact C-O 3.59Å; K91-R160 VanDerWaalsContact CA-O 3.3Å; K91-R160 WeakPolarHBondContact CA-O 3.41Å
92	V	95.3	Very high	93.8	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.006	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	130.2	166.1	-178.3	0	0	0	0	106.8	Y96 L97 L123 Q129 I132 E159 R160 I162	V92-Y96 CarbonylContact C-O 3.56Å; V92-Y96 WeakPolarHBondContact CA-O 3.48Å; V92-L97 HydrophobicContact CG2-CD1 4.05Å; V92-L123 HydrophobicContact CG1-CD1 3.86Å; V92-L123 HydrophobicContact CG2-CD1 4.4Å; V92-Q129 HydrophobicContact CG1-CB 4.2Å; V92-Q129 HydrophobicContact CG1-CG 4.29Å; V92-I132 HydrophobicContact CG2-CD1 4.01Å; V92-E159 CarbonylContact O-C 3.59Å; V92-E159 VanDerWaalsContact O-CA 3.28Å; V92-E159 WeakPolarHBondContact O-CA 3.42Å; V92-R160 PolarHBondContact N-O 3.14Å; V92-R160 PolarHBondContact O-N 3.01Å; V92-I162 HydrophobicContact CG2-CD1 3.7Å; V92-I162 HydrophobicContact CG2-CG1 4.44Å
93	T	93.3	Very high	94	Very high	27 Å²	27	42.1 Å²	42.1	17%	0.166	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	121.3	175.6	-52.6	0	0	0	0	107.3	D95 Y96	T93-D95 PolarHBondContact O-N 2.87Å; T93-D95 VanDerWaalsContact O-N 3.14Å; T93-Y96 PolarHBondContact N-O 2.79Å; T93-Y96 PolarHBondContact O-N 3.21Å
94	D	89.6	Confident	93.9	Very high	115 Å²	115	42.6 Å²	42.6	62%	0.615	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	55	-110.4	-175	-54.5	-42.3	0	0	0	113.2	Q129	D94-Q129 PolarHBondContact O-NE2 3.36Å; D94-Q129 PolarHBondContact O-OE1 3.33Å
95	D	90.9	Very high	94	Very high	39 Å²	39	47.9 Å²	47.9	21%	0.209	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	19.6	177.7	-67.8	-23	0	0	0	111.6	T93 L123 R157	T93-D95 PolarHBondContact O-N 2.87Å; T93-D95 VanDerWaalsContact O-N 3.14Å; D95-L123 PolarHBondContact O-N 2.84Å; D95-R157 IonicContact OD1-CZ 3.81Å; D95-R157 IonicContact OD1-NE 2.92Å; D95-R157 IonicContact OD1-NH1 2.82Å; D95-R157 PolarHBondContact OD1-NH1 2.98Å; D95-R157 IonicContact OD2-NH1 3.25Å; D95-R157 PolarHBondContact OD2-NH1 2.85Å
96	Y	93.3	Very high	93.7	Very high	74 Å²	74	53.3 Å²	53.3	29%	0.29	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	136.5	-174.7	-67.9	-80.9	0	0	0	112.7	V92 T93 R120 Y121 R122	V92-Y96 CarbonylContact C-O 3.56Å; V92-Y96 WeakPolarHBondContact CA-O 3.48Å; T93-Y96 PolarHBondContact N-O 2.79Å; T93-Y96 PolarHBondContact O-N 3.21Å; Y96-R120 HydrophobicContact CD1-CG 3.57Å; Y96-R120 HydrophobicContact CE1-CG 4.45Å; Y96-R120 HydrophobicContact CG-CG 3.91Å; Y96-Y121 CarbonylContact C-O 3.42Å; Y96-Y121 WeakPolarHBondContact CA-O 3.38Å; Y96-R122 HydrophobicContact CD1-CB 4.12Å; Y96-R122 HydrophobicContact CE1-CB 3.85Å; Y96-R122 HydrophobicContact CE1-CG 4.16Å
97	L	94.6	Very high	93.2	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	113.4	165.4	176	64.6	0	0	0	108.3	V76 V90 V92 R120 Y121 L123 L144 I162	V76-L97 HydrophobicContact CG2-CD2 4.17Å; V90-L97 HydrophobicContact CG1-CD1 3.92Å; V92-L97 HydrophobicContact CG2-CD1 4.05Å; L97-R120 CarbonylContact O-C 3.57Å; L97-R120 WeakPolarHBondContact O-CA 3.46Å; L97-Y121 HydrophobicContact CD2-CD2 4.43Å; L97-Y121 PolarHBondContact N-O 3.29Å; L97-Y121 PolarHBondContact O-N 3.27Å; L97-L123 HydrophobicContact CB-CD1 4.19Å; L97-L123 HydrophobicContact CB-CD2 3.96Å; L97-L123 HydrophobicContact CB-CG 4.03Å; L97-L123 HydrophobicContact CD2-CD2 4.43Å; L97-L144 HydrophobicContact CD1-CD2 3.8Å; L97-L144 HydrophobicContact CD2-CB 4.2Å; L97-L144 HydrophobicContact CD2-CD2 3.89Å; L97-L144 HydrophobicContact CG-CD2 4.2Å; L97-I162 HydrophobicContact CD1-CD1 4.31Å
98	E	95.6	Very high	92.5	Very high	20 Å²	20	54.8 Å²	54.8	9%	0.093	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	130	179.9	-67.6	-173.1	178.7	0	0	110	V90 K91 H118 R120	V90-E98 WeakPolarHBondContact CA-O 3.49Å; K91-E98 HydrophobicContact CD-CB 4.46Å; K91-E98 WeakPolarHBondContact CE-OE2 3.43Å; K91-E98 HydrophobicContact CG-CB 3.81Å; K91-E98 PolarHBondContact N-O 2.74Å; K91-E98 IonicContact NZ-OE2 3.11Å; K91-E98 PolarHBondContact NZ-OE2 2.79Å; K91-E98 PolarHBondContact O-N 2.94Å; E98-H118 IonicContact OE2-NE2 3.25Å; E98-R120 HydrophobicContact CG-CB 4.21Å; E98-R120 HydrophobicContact CG-CG 3.66Å; E98-R120 WeakPolarHBondContact OE1-CD 3.37Å; E98-R120 IonicContact OE1-NE 3.13Å; E98-R120 IonicContact OE1-NH1 2.69Å; E98-R120 PolarHBondContact OE1-NH1 3.19Å
99	I	95.8	Very high	91.6	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	121	178.3	-50	179.6	0	0	0	107.2	L78 S89 V90 F117 H118 R119 Y121 L142 L144	L78-I99 HydrophobicContact CD2-CD1 3.98Å; L78-I99 HydrophobicContact CD2-CG2 4.08Å; S89-I99 CarbonylContact O-C 3.55Å; S89-I99 WeakPolarHBondContact O-CA 3.23Å; V90-I99 HydrophobicContact CG2-CG2 4.26Å; I99-F117 HydrophobicContact CB-CE2 4.18Å; I99-F117 HydrophobicContact CG2-CE2 3.64Å; I99-F117 HydrophobicContact CG2-CZ 3.81Å; I99-H118 WeakPolarHBondContact O-CA 3.14Å; I99-R119 PolarHBondContact N-O 2.9Å; I99-R119 PolarHBondContact O-N 3.18Å; I99-Y121 HydrophobicContact CD1-CD2 4.31Å; I99-Y121 HydrophobicContact CD1-CE2 3.76Å; I99-Y121 HydrophobicContact CG1-CE2 4.46Å; I99-L142 HydrophobicContact CD1-CD2 4.15Å; I99-L142 HydrophobicContact CG2-CD2 3.81Å; I99-L144 HydrophobicContact CD1-CD1 3.52Å; I99-L144 HydrophobicContact CD1-CD2 4.03Å; I99-L144 HydrophobicContact CD1-CG 4.47Å; I99-L144 HydrophobicContact CG1-CD2 4.39Å
100	Q	95.9	Very high	90.6	Very high	69 Å²	69	67.3 Å²	67.3	32%	0.322	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	133.9	174.8	-172.8	178.1	10.2	0	0	109	L88 S89 E116 F117	L88-Q100 CarbonylContact C-O 3.57Å; L88-Q100 WeakPolarHBondContact CA-O 3.22Å; S89-Q100 PolarHBondContact N-O 3.05Å; S89-Q100 PolarHBondContact O-N 2.76Å; Q100-E116 PolarHBondContact NE2-OE1 3.08Å; Q100-F117 WeakPolarHBondContact CA-O 3.43Å
101	G	95.4	Very high	90	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	127.8	167.2	0	0	0	0	0	109.1	F83 E87 E116 F117	F83-G101 WeakPolarHBondContact CE1-O 3.42Å; E87-G101 CarbonylContact O-C 3.5Å; E87-G101 WeakPolarHBondContact O-CA 3.37Å; G101-E116 CarbonylContact O-C 3.48Å; G101-E116 VanDerWaalsContact O-CA 3.27Å; G101-E116 WeakPolarHBondContact O-CA 3.27Å; G101-F117 VanDerWaalsContact CA-CE1 3.42Å; G101-F117 PolarHBondContact N-O 2.97Å; G101-F117 PolarHBondContact O-N 3.16Å
102	K	95.4	Very high	89.3	Confident	126 Å²	126	73.2 Å²	73.2	55%	0.548	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	106	179.5	-172.9	173.5	-177.6	171.3	0	111	E87 E116	E87-K102 WeakPolarHBondContact CB-O 3.48Å; E87-K102 WeakPolarHBondContact CG-O 3.47Å; E87-K102 PolarHBondContact O-N 3.31Å; K102-E116 HydrophobicContact CG-CG 4.49Å
103	H	91.3	Very high	88.8	Confident	19 Å²	19	74.6 Å²	74.6	9%	0.088	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	110.6	173	-167.9	90.2	0	0	0	108.8	F83 E87 R106 S114 R115	F83-H103 HydrophobicContact CD1-CB 4Å; F83-H103 HydrophobicContact CE1-CB 3.77Å; E87-H103 IonicContact OE1-CE1 4Å; E87-H103 IonicContact OE1-ND1 2.76Å; E87-H103 PolarHBondContact OE1-ND1 2.61Å; E87-H103 IonicContact OE2-CE1 3.72Å; E87-H103 IonicContact OE2-CG 2.83Å; E87-H103 IonicContact OE2-ND1 3.57Å; E87-H103 PolarHBondContact OE2-ND1 2.98Å; H103-R106 PolarHBondContact CE1-NH1 2.83Å; H103-S114 WeakPolarHBondContact O-CA 3.39Å; H103-S114 PolarHBondContact O-OG 3.37Å; H103-R115 WeakPolarHBondContact CA-O 3.21Å; H103-R115 HydrophobicContact CB-CB 4.06Å; H103-R115 WeakPolarHBondContact CB-O 3.39Å; H103-R115 PolarHBondContact N-O 2.73Å; H103-R115 PolarHBondContact O-N 2.79Å
104	G	89.3	Confident	88.5	Confident	36 Å²	36	76.6 Å²	76.6	37%	0.371	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	170.4	175.2	0	0	0	0	0	112.3	R106	G104-R106 PolarHBondContact O-N 3Å
105	E	90.6	Very high	88.4	Confident	149 Å²	149	73.3 Å²	73.3	70%	0.696	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.1	119.5	175.1	-170.3	176.8	82.8	0	0	110.3	Y112 I113	E105-Y112 HydrophobicContact CG-CD1 4.09Å; E105-Y112 HydrophobicContact CG-CG 4.33Å; E105-I113 CarbonylContact C-O 3.53Å; E105-I113 WeakPolarHBondContact CA-O 3.22Å
106	R	85.5	Confident	88.5	Confident	130 Å²	130	76.9 Å²	76.9	49%	0.491	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	148.4	173.3	-68.8	-170.4	-177.9	137.9	11.2	109.8	E87 H103 G104 Y112 I113	E87-R106 IonicContact OE1-CZ 3.56Å; E87-R106 IonicContact OE1-NH1 3Å; E87-R106 PolarHBondContact OE1-NH1 2.71Å; E87-R106 IonicContact OE1-NH2 3.28Å; E87-R106 PolarHBondContact OE1-NH2 3.2Å; H103-R106 PolarHBondContact CE1-NH1 2.83Å; G104-R106 PolarHBondContact O-N 3Å; R106-Y112 CarbonylContact O-C 3.49Å; R106-Y112 WeakPolarHBondContact O-CA 3.45Å; R106-I113 PolarHBondContact N-O 3.36Å; R106-I113 PolarHBondContact O-N 2.83Å
107	Q	84.4	Confident	88.3	Confident	150 Å²	150	75.4 Å²	75.4	70%	0.701	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.2	130	172.5	-167.6	176.3	-8.2	0	0	109.4	G111 Y112	Q107-G111 CarbonylContact C-O 3.57Å; Q107-G111 WeakPolarHBondContact CA-O 3.34Å; Q107-G111 WeakPolarHBondContact CG-O 3.32Å; Q107-Y112 HydrophobicContact CB-CD1 4.21Å; Q107-Y112 HydrophobicContact CB-CE1 4.08Å; Q107-Y112 HydrophobicContact CG-CE1 4.43Å
108	D	78.2	Confident	88.2	Confident	53 Å²	53	80.7 Å²	80.7	28%	0.283	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	-175.4	170.6	71.5	9.2	0	0	0	110.6	H110 G111 I113	D108-H110 PolarHBondContact O-N 3.36Å; D108-H110 VanDerWaalsContact O-N 3.08Å; D108-H110 WeakPolarHBondContact OD1-CA 3.34Å; D108-H110 PolarHBondContact OD1-N 3.16Å; D108-G111 PolarHBondContact N-O 2.89Å; D108-G111 PolarHBondContact O-N 2.92Å; D108-G111 PolarHBondContact OD1-N 2.86Å; D108-I113 HydrophobicContact CB-CG2 3.97Å; D108-I113 WeakPolarHBondContact OD2-CB 3.34Å; D108-I113 WeakPolarHBondContact OD2-CG2 3.38Å
109	D	77.4	Confident	88	Confident	162 Å²	162	82.7 Å²	82.7	87%	0.866	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-16	-178.4	-65.6	-27.5	0	0	0	113.5
110	H	76.9	Confident	87.8	Confident	178 Å²	178	89.2 Å²	89.2	82%	0.824	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.9	0.4	-172.7	-60.6	-54.3	0	0	0	114.1	D108	D108-H110 PolarHBondContact O-N 3.36Å; D108-H110 VanDerWaalsContact O-N 3.08Å; D108-H110 WeakPolarHBondContact OD1-CA 3.34Å; D108-H110 PolarHBondContact OD1-N 3.16Å
111	G	84.1	Confident	87.6	Confident	29 Å²	29	87 Å²	87	30%	0.299	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	143.7	-129.8	-180	0	0	0	0	0	111.5	Q107 D108	Q107-G111 CarbonylContact C-O 3.57Å; Q107-G111 WeakPolarHBondContact CA-O 3.34Å; Q107-G111 WeakPolarHBondContact CG-O 3.32Å; D108-G111 PolarHBondContact N-O 2.89Å; D108-G111 PolarHBondContact O-N 2.92Å; D108-G111 PolarHBondContact OD1-N 2.86Å
112	Y	83.4	Confident	87.4	Confident	160 Å²	160	95.2 Å²	95.2	63%	0.627	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.3	138.2	177.3	-65.5	-87.9	0	0	0	109.5	E105 R106 Q107	E105-Y112 HydrophobicContact CG-CD1 4.09Å; E105-Y112 HydrophobicContact CG-CG 4.33Å; R106-Y112 CarbonylContact O-C 3.49Å; R106-Y112 WeakPolarHBondContact O-CA 3.45Å; Q107-Y112 HydrophobicContact CB-CD1 4.21Å; Q107-Y112 HydrophobicContact CB-CE1 4.08Å; Q107-Y112 HydrophobicContact CG-CE1 4.43Å
113	I	83.1	Confident	87.2	Confident	30 Å²	30	89.4 Å²	89.4	15%	0.154	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	134.8	-179.9	-163.8	142.1	0	0	0	111.8	E105 R106 D108 R115	E105-I113 CarbonylContact C-O 3.53Å; E105-I113 WeakPolarHBondContact CA-O 3.22Å; R106-I113 PolarHBondContact N-O 3.36Å; R106-I113 PolarHBondContact O-N 2.83Å; D108-I113 HydrophobicContact CB-CG2 3.97Å; D108-I113 WeakPolarHBondContact OD2-CB 3.34Å; D108-I113 WeakPolarHBondContact OD2-CG2 3.38Å; I113-R115 HydrophobicContact CG1-CG 4.22Å
114	S	87.9	Confident	87.2	Confident	69 Å²	69	90.5 Å²	90.5	48%	0.483	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	141	168.1	179.9	0	0	0	0	108.2	H103	H103-S114 WeakPolarHBondContact O-CA 3.39Å; H103-S114 PolarHBondContact O-OG 3.37Å
115	R	87.9	Confident	87.1	Confident	45 Å²	45	93 Å²	93	17%	0.17	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	133.9	-179.5	-59.9	179.1	174.5	90.2	-5.3	108.6	G28 F83 H103 I113	G28-R115 PolarHBondContact O-NH2 2.72Å; F83-R115 HydrophobicContact CE1-CB 4.15Å; F83-R115 WeakPolarHBondContact CE1-O 3.31Å; F83-R115 HydrophobicContact CZ-CB 3.71Å; H103-R115 WeakPolarHBondContact CA-O 3.21Å; H103-R115 HydrophobicContact CB-CB 4.06Å; H103-R115 WeakPolarHBondContact CB-O 3.39Å; H103-R115 PolarHBondContact N-O 2.73Å; H103-R115 PolarHBondContact O-N 2.79Å; I113-R115 HydrophobicContact CG1-CG 4.22Å
116	E	91.7	Very high	87	Confident	114 Å²	114	88.1 Å²	88.1	53%	0.533	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	134.4	172.5	-177	164.9	-168.7	0	0	109.1	Q100 G101 K102	Q100-E116 PolarHBondContact NE2-OE1 3.08Å; G101-E116 CarbonylContact O-C 3.48Å; G101-E116 VanDerWaalsContact O-CA 3.27Å; G101-E116 WeakPolarHBondContact O-CA 3.27Å; K102-E116 HydrophobicContact CG-CG 4.49Å
117	F	90.9	Very high	87.3	Confident	44 Å²	44	82.2 Å²	82.2	19%	0.193	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	150	169.9	79.7	-93.2	0	0	0	110.6	L78 V80 F83 L88 I99 Q100 G101 R119	L78-F117 HydrophobicContact CD2-CE2 3.82Å; L78-F117 HydrophobicContact CD2-CZ 4.08Å; V80-F117 HydrophobicContact CG1-CE1 3.96Å; V80-F117 HydrophobicContact CG1-CZ 3.69Å; F83-F117 HydrophobicContact CD1-CE1 4.46Å; F83-F117 HydrophobicContact CD2-CD1 4.06Å; F83-F117 AromaticContact CD2-CE1 3.75Å; F83-F117 HydrophobicContact CD2-CE1 3.75Å; F83-F117 HydrophobicContact CE1-CD1 4.11Å; F83-F117 HydrophobicContact CE1-CE1 4.36Å; F83-F117 AromaticContact CE2-CD1 3.46Å; F83-F117 HydrophobicContact CE2-CD1 3.46Å; F83-F117 VanDerWaalsContact CE2-CD1 3.46Å; F83-F117 AromaticContact CE2-CE1 3.65Å; F83-F117 HydrophobicContact CE2-CE1 3.65Å; F83-F117 HydrophobicContact CG-CE1 4.17Å; F83-F117 AromaticContact CZ-CD1 3.49Å; F83-F117 HydrophobicContact CZ-CD1 3.49Å; F83-F117 VanDerWaalsContact CZ-CD1 3.49Å; F83-F117 AromaticContact CZ-CE1 3.98Å; F83-F117 HydrophobicContact CZ-CE1 3.98Å; L88-F117 HydrophobicContact CD2-CE1 3.89Å; L88-F117 HydrophobicContact CD2-CZ 3.85Å; I99-F117 HydrophobicContact CB-CE2 4.18Å; I99-F117 HydrophobicContact CG2-CE2 3.64Å; I99-F117 HydrophobicContact CG2-CZ 3.81Å; Q100-F117 WeakPolarHBondContact CA-O 3.43Å; G101-F117 VanDerWaalsContact CA-CE1 3.42Å; G101-F117 PolarHBondContact N-O 2.97Å; G101-F117 PolarHBondContact O-N 3.16Å; F117-R119 HydrophobicContact CD2-CB 4.21Å; F117-R119 HydrophobicContact CE2-CB 4.41Å
118	H	91.9	Very high	87.6	Confident	111 Å²	111	76.5 Å²	76.5	51%	0.514	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	120	169.3	179.9	-129.6	0	0	0	108.7	E98 I99	E98-H118 IonicContact OE2-NE2 3.25Å; I99-H118 WeakPolarHBondContact O-CA 3.14Å
119	R	91.7	Very high	88.2	Confident	63 Å²	63	74.5 Å²	74.5	24%	0.238	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	131.8	-176.4	-162.6	162.7	-170.5	151.9	10.5	110.7	S65 I99 F117 Y121	S65-R119 PolarHBondContact OG-NH2 3.13Å; I99-R119 PolarHBondContact N-O 2.9Å; I99-R119 PolarHBondContact O-N 3.18Å; F117-R119 HydrophobicContact CD2-CB 4.21Å; F117-R119 HydrophobicContact CE2-CB 4.41Å; R119-Y121 HydrophobicContact CB-CE2 4.42Å; R119-Y121 WeakPolarHBondContact CD-OH 3.48Å; R119-Y121 HydrophobicContact CG-CE1 4.44Å; R119-Y121 HydrophobicContact CG-CE2 3.79Å; R119-Y121 PolarHBondContact NE-OH 3.26Å
120	R	91.6	Very high	88.9	Confident	136 Å²	136	69.6 Å²	69.6	51%	0.513	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	127.8	-176.4	-171	165.2	74.6	-177.6	2.6	111.3	Y96 L97 E98	Y96-R120 HydrophobicContact CD1-CG 3.57Å; Y96-R120 HydrophobicContact CE1-CG 4.45Å; Y96-R120 HydrophobicContact CG-CG 3.91Å; L97-R120 CarbonylContact O-C 3.57Å; L97-R120 WeakPolarHBondContact O-CA 3.46Å; E98-R120 HydrophobicContact CG-CB 4.21Å; E98-R120 HydrophobicContact CG-CG 3.66Å; E98-R120 WeakPolarHBondContact OE1-CD 3.37Å; E98-R120 IonicContact OE1-NE 3.13Å; E98-R120 IonicContact OE1-NH1 2.69Å; E98-R120 PolarHBondContact OE1-NH1 3.19Å
121	Y	91	Very high	89.6	Confident	23 Å²	23	62.8 Å²	62.8	9%	0.09	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	133.2	177.3	-56.3	-87.1	0	0	0	109.8	S65 V67 V76 Y96 L97 I99 R119 L123	S65-Y121 WeakPolarHBondContact OG-CE1 3.44Å; S65-Y121 PolarHBondContact OG-OH 2.81Å; V67-Y121 HydrophobicContact CG2-CD1 3.77Å; V67-Y121 HydrophobicContact CG2-CE1 3.7Å; V76-Y121 HydrophobicContact CG1-CD2 4.25Å; V76-Y121 HydrophobicContact CG1-CE1 4.03Å; V76-Y121 HydrophobicContact CG1-CE2 3.72Å; V76-Y121 HydrophobicContact CG2-CG 4.5Å; Y96-Y121 CarbonylContact C-O 3.42Å; Y96-Y121 WeakPolarHBondContact CA-O 3.38Å; L97-Y121 HydrophobicContact CD2-CD2 4.43Å; L97-Y121 PolarHBondContact N-O 3.29Å; L97-Y121 PolarHBondContact O-N 3.27Å; I99-Y121 HydrophobicContact CD1-CD2 4.31Å; I99-Y121 HydrophobicContact CD1-CE2 3.76Å; I99-Y121 HydrophobicContact CG1-CE2 4.46Å; R119-Y121 HydrophobicContact CB-CE2 4.42Å; R119-Y121 WeakPolarHBondContact CD-OH 3.48Å; R119-Y121 HydrophobicContact CG-CE1 4.44Å; R119-Y121 HydrophobicContact CG-CE2 3.79Å; R119-Y121 PolarHBondContact NE-OH 3.26Å; Y121-L123 PolarHBondContact O-N 3.12Å
122	R	91.3	Very high	90.1	Very high	172 Å²	172	61.6 Å²	61.6	65%	0.649	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.9	123.5	172.1	-172.8	175.7	-177.8	149.1	4.6	109.1	Y96	Y96-R122 HydrophobicContact CD1-CB 4.12Å; Y96-R122 HydrophobicContact CE1-CB 3.85Å; Y96-R122 HydrophobicContact CE1-CG 4.16Å
123	L	91.2	Very high	90.7	Very high	4 Å²	4	57.7 Å²	57.7	2%	0.021	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-80	133.8	175.3	-66.6	173.4	0	0	0	109.7	F74 V92 D95 L97 Y121 Q129 I132	F74-L123 HydrophobicContact CD1-CD2 4Å; F74-L123 HydrophobicContact CE1-CD2 3.65Å; F74-L123 HydrophobicContact CZ-CD2 4.39Å; V92-L123 HydrophobicContact CG1-CD1 3.86Å; V92-L123 HydrophobicContact CG2-CD1 4.4Å; D95-L123 PolarHBondContact O-N 2.84Å; L97-L123 HydrophobicContact CB-CD1 4.19Å; L97-L123 HydrophobicContact CB-CD2 3.96Å; L97-L123 HydrophobicContact CB-CG 4.03Å; L97-L123 HydrophobicContact CD2-CD2 4.43Å; Y121-L123 PolarHBondContact O-N 3.12Å; L123-Q129 HydrophobicContact CD1-CG 4.07Å; L123-I132 HydrophobicContact CD1-CD1 3.68Å; L123-I132 HydrophobicContact CD2-CD1 4.06Å
124	P	90.2	Very high	91.3	Very high	43 Å²	43	56.4 Å²	56.4	28%	0.279	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-62.1	145.9	167.4	-19.3	30.8	0	0	0	110.7	F74 S126 V127	F74-P124 HydrophobicContact CD2-CG 4.05Å; F74-P124 HydrophobicContact CE2-CG 4.21Å; P124-S126 PolarHBondContact O-N 2.66Å; P124-S126 VanDerWaalsContact O-N 3.09Å; P124-V127 HydrophobicContact CB-CG2 4.18Å; P124-V127 HydrophobicContact CG-CG2 4.13Å; P124-V127 PolarHBondContact O-N 3.43Å
125	T	87.3	Confident	91.6	Very high	89 Å²	89	55.3 Å²	55.3	55%	0.546	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-19.4	175.8	54.4	0	0	0	0	113.1	V127	T125-V127 VanDerWaalsContact C-N 3.25Å; T125-V127 PolarHBondContact O-N 2.93Å
126	S	89.1	Confident	91.9	Very high	46 Å²	46	53.7 Å²	53.7	32%	0.322	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-3.9	176.7	67.7	0	0	0	0	113.9	P124 K148 L149	P124-S126 PolarHBondContact O-N 2.66Å; P124-S126 VanDerWaalsContact O-N 3.09Å; S126-K148 CarbonylContact O-C 3.6Å; S126-K148 WeakPolarHBondContact O-CA 3.47Å; S126-K148 WeakPolarHBondContact O-CB 3.33Å; S126-L149 PolarHBondContact O-N 2.76Å
127	V	91.2	Very high	91.9	Very high	5 Å²	5	49.1 Å²	49.1	3%	0.03	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-95.8	133	-177.1	177.2	0	0	0	0	110	F74 P124 T125 Q129 I132 K148	F74-V127 HydrophobicContact CB-CG1 4.44Å; F74-V127 HydrophobicContact CB-CG2 3.5Å; F74-V127 VanDerWaalsContact CB-CG2 3.5Å; F74-V127 HydrophobicContact CG-CG2 4.01Å; P124-V127 HydrophobicContact CB-CG2 4.18Å; P124-V127 HydrophobicContact CG-CG2 4.13Å; P124-V127 PolarHBondContact O-N 3.43Å; T125-V127 VanDerWaalsContact C-N 3.25Å; T125-V127 PolarHBondContact O-N 2.93Å; V127-Q129 PolarHBondContact O-N 3.18Å; V127-I132 HydrophobicContact CG1-CD1 4.27Å; V127-I132 HydrophobicContact CG1-CG1 4.33Å; V127-K148 HydrophobicContact CG2-CG 4.36Å
128	D	91.6	Very high	91.8	Very high	31 Å²	31	52 Å²	52	17%	0.166	27%	0.273	C	S	.	.			trans	-74.9	105	169.9	-177.1	-7.4	0	0	0	109.7	S130 A131 I132 P147 L149	D128-S130 VanDerWaalsContact C-N 3.27Å; D128-S130 PolarHBondContact O-N 2.75Å; D128-S130 WeakPolarHBondContact OD1-CB 3.22Å; D128-S130 PolarHBondContact OD1-N 3.09Å; D128-S130 PolarHBondContact OD1-OG 3.39Å; D128-A131 HydrophobicContact CB-CB 4.15Å; D128-A131 PolarHBondContact O-N 2.99Å; D128-A131 PolarHBondContact OD1-N 3.3Å; D128-A131 WeakPolarHBondContact OD2-CB 3.38Å; D128-I132 WeakPolarHBondContact O-CG1 3.14Å; D128-P147 HydrophobicContact CB-CG 4.22Å; D128-P147 PolarHBondContact N-O 2.9Å; D128-L149 HydrophobicContact CB-CD2 3.66Å; D128-L149 HydrophobicContact CB-CG 4.09Å
129	Q	91.7	Very high	91.5	Very high	10 Å²	10	50.9 Å²	50.9	5%	0.047	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-66.6	-29.5	-179.2	-61.1	-172.7	9.7	0	0	112.9	V92 D94 L123 V127 A131 I132 R160	V92-Q129 HydrophobicContact CG1-CB 4.2Å; V92-Q129 HydrophobicContact CG1-CG 4.29Å; D94-Q129 PolarHBondContact O-NE2 3.36Å; D94-Q129 PolarHBondContact O-OE1 3.33Å; L123-Q129 HydrophobicContact CD1-CG 4.07Å; V127-Q129 PolarHBondContact O-N 3.18Å; Q129-A131 VanDerWaalsContact C-N 3.29Å; Q129-A131 PolarHBondContact O-N 3.07Å; Q129-I132 PolarHBondContact O-N 2.47Å; Q129-R160 PolarHBondContact O-NH1 3.28Å
130	S	90.5	Very high	91.4	Very high	59 Å²	59	48.3 Å²	48.3	41%	0.413	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-74.5	-23.4	-178.3	75.9	0	0	0	0	112.6	D128 R160	D128-S130 VanDerWaalsContact C-N 3.27Å; D128-S130 PolarHBondContact O-N 2.75Å; D128-S130 WeakPolarHBondContact OD1-CB 3.22Å; D128-S130 PolarHBondContact OD1-N 3.09Å; D128-S130 PolarHBondContact OD1-OG 3.39Å; S130-R160 PolarHBondContact O-NH1 3.34Å; S130-R160 PolarHBondContact O-NH2 3.33Å
131	A	92.1	Very high	91.4	Very high	36 Å²	36	43.7 Å²	43.7	30%	0.298	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-99.5	6.4	179.6	0	0	0	0	0	113.6	D128 Q129 T133 P147	D128-A131 HydrophobicContact CB-CB 4.15Å; D128-A131 PolarHBondContact O-N 2.99Å; D128-A131 PolarHBondContact OD1-N 3.3Å; D128-A131 WeakPolarHBondContact OD2-CB 3.38Å; Q129-A131 VanDerWaalsContact C-N 3.29Å; Q129-A131 PolarHBondContact O-N 3.07Å; A131-T133 PolarHBondContact O-N 3.18Å; A131-P147 HydrophobicContact CB-CG 3.47Å; A131-P147 VanDerWaalsContact CB-CG 3.47Å
132	I	94.4	Very high	91.5	Very high	3 Å²	3	42.6 Å²	42.6	2%	0.015	25%	0.246	C	C	.	.			trans	-65.8	131.8	174.1	-57.7	177.5	0	0	0	109.5	V92 L123 V127 D128 Q129 S145 R160 I162	V92-I132 HydrophobicContact CG2-CD1 4.01Å; L123-I132 HydrophobicContact CD1-CD1 3.68Å; L123-I132 HydrophobicContact CD2-CD1 4.06Å; V127-I132 HydrophobicContact CG1-CD1 4.27Å; V127-I132 HydrophobicContact CG1-CG1 4.33Å; D128-I132 WeakPolarHBondContact O-CG1 3.14Å; Q129-I132 PolarHBondContact O-N 2.47Å; I132-S145 WeakPolarHBondContact CA-O 3.37Å; I132-R160 PolarHBondContact O-NH1 3.08Å; I132-I162 HydrophobicContact CB-CD1 3.78Å; I132-I162 HydrophobicContact CG2-CD1 3.51Å
133	T	95.4	Very high	91.6	Very high	79 Å²	79	35.9 Å²	35.9	49%	0.485	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	157.5	174.5	60.3	0	0	0	0	110.9	A131 L144 S145	A131-T133 PolarHBondContact O-N 3.18Å; T133-L144 VanDerWaalsContact O-CA 3.31Å; T133-L144 WeakPolarHBondContact O-CA 3.16Å; T133-S145 PolarHBondContact N-O 2.91Å; T133-S145 PolarHBondContact O-N 3.44Å; T133-S145 PolarHBondContact OG1-O 3.43Å
134	C	95.9	Very high	91.8	Very high	3 Å²	3	35.8 Å²	35.8	2%	0.02	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	128.6	179.5	-175	0	0	0	0	110	L142 T143 L144 I162 T165	C134-L142 WeakPolarHBondContact SG-CD1 3.42Å; C134-T143 WeakPolarHBondContact CA-O 3.42Å; C134-L144 HydrophobicContact CB-CD2 4.25Å; C134-L144 HydrophobicContact CB-CG 4.3Å; C134-I162 HydrophobicContact CB-CG2 3.6Å; C134-T165 PolarHBondContact O-N 2.62Å
135	T	95.6	Very high	92.1	Very high	46 Å²	46	35.4 Å²	35.4	28%	0.282	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	144.3	174.3	57.2	0	0	0	0	110.6	L142 T143 T165	T135-L142 WeakPolarHBondContact O-CA 3.22Å; T135-T143 PolarHBondContact N-O 2.87Å; T135-T143 PolarHBondContact O-N 3.15Å; T135-T165 CarbonylContact C-O 3.59Å; T135-T165 VanDerWaalsContact CA-O 3.23Å; T135-T165 WeakPolarHBondContact CA-O 2.95Å
136	L	94.6	Very high	92.4	Very high	11 Å²	11	31.2 Å²	31.2	6%	0.058	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	120.2	171.9	-179	67.3	0	0	0	108.5	V80 P85 L88 L142 V164 T165 R166 D167	V80-L136 HydrophobicContact CG2-CD1 3.41Å; V80-L136 VanDerWaalsContact CG2-CD1 3.41Å; P85-L136 HydrophobicContact CB-CD2 4.36Å; P85-L136 HydrophobicContact CG-CD2 3.77Å; L88-L136 HydrophobicContact CD1-CD2 4.14Å; L136-L142 HydrophobicContact CB-CD1 4.06Å; L136-L142 HydrophobicContact CD1-CB 4.24Å; L136-L142 HydrophobicContact CD1-CD1 4.07Å; L136-V164 HydrophobicContact CB-CG1 3.77Å; L136-T165 PolarHBondContact N-O 2.74Å; L136-R166 WeakPolarHBondContact O-CA 3.3Å; L136-D167 PolarHBondContact O-N 3.4Å
137	S	91.6	Very high	92.6	Very high	17 Å²	17	31.5 Å²	31.5	12%	0.119	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	163.7	173.9	48.7	0	0	0	0	112	D139 G140 L141	S137-D139 WeakPolarHBondContact CB-OD1 3.08Å; S137-D139 PolarHBondContact O-N 3.17Å; S137-D139 PolarHBondContact OG-OD1 3.21Å; S137-G140 PolarHBondContact O-N 3.18Å; S137-L141 PolarHBondContact N-O 3.38Å; S137-L141 WeakPolarHBondContact OG-CB 3.26Å; S137-L141 PolarHBondContact OG-N 3.32Å; S137-L141 PolarHBondContact OG-O 3.26Å
138	T	88.9	Confident	92.6	Very high	104 Å²	104	33.8 Å²	33.8	64%	0.638	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-21.9	-178.1	52.1	0	0	0	0	114.3	G140	T138-G140 VanDerWaalsContact C-N 3.3Å
139	D	85.1	Confident	92.3	Very high	89 Å²	89	34.5 Å²	34.5	48%	0.476	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	0.1	174.6	62	-8.1	0	0	0	113.4	S137 L141	S137-D139 WeakPolarHBondContact CB-OD1 3.08Å; S137-D139 PolarHBondContact O-N 3.17Å; S137-D139 PolarHBondContact OG-OD1 3.21Å; D139-L141 PolarHBondContact OD1-N 3.42Å
140	G	88.8	Confident	91.4	Very high	9 Å²	9	40.4 Å²	40.4	9%	0.093	25%	0.252	C	S	.	.	S	Bend	trans	89.2	12.8	177	0	0	0	0	0	114.9	V80 K81 S137 T138	V80-G140 CarbonylContact C-O 3.56Å; V80-G140 VanDerWaalsContact CG2-O 3.32Å; V80-G140 WeakPolarHBondContact CG2-O 3.45Å; V80-G140 PolarHBondContact N-O 3.32Å; K81-G140 PolarHBondContact N-O 3.46Å; S137-G140 PolarHBondContact O-N 3.18Å; T138-G140 VanDerWaalsContact C-N 3.3Å
141	L	91.5	Very high	90.1	Very high	39 Å²	39	40.6 Å²	40.6	20%	0.204	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	112.1	176	-171.5	69.3	0	0	0	111.6	Y77 S137 D139	Y77-L141 HydrophobicContact CD1-CD2 4.07Å; S137-L141 PolarHBondContact N-O 3.38Å; S137-L141 WeakPolarHBondContact OG-CB 3.26Å; S137-L141 PolarHBondContact OG-N 3.32Å; S137-L141 PolarHBondContact OG-O 3.26Å; D139-L141 PolarHBondContact OD1-N 3.42Å
142	L	93.5	Very high	88.5	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	122	172.4	-165	72.4	0	0	0	109.7	Y77 L78 V80 L88 V90 I99 C134 T135 L136 L144 V164	Y77-L142 CarbonylContact C-O 3.54Å; Y77-L142 WeakPolarHBondContact CA-O 3.45Å; L78-L142 HydrophobicContact CB-CB 4.35Å; L78-L142 PolarHBondContact N-O 2.99Å; L78-L142 WeakPolarHBondContact O-CB 3.49Å; L78-L142 PolarHBondContact O-N 2.95Å; V80-L142 HydrophobicContact CG1-CB 4.22Å; V80-L142 HydrophobicContact CG1-CD2 4.41Å; V80-L142 HydrophobicContact CG2-CB 3.8Å; L88-L142 HydrophobicContact CD1-CD1 4.22Å; V90-L142 HydrophobicContact CG2-CD2 4.34Å; I99-L142 HydrophobicContact CD1-CD2 4.15Å; I99-L142 HydrophobicContact CG2-CD2 3.81Å; C134-L142 WeakPolarHBondContact SG-CD1 3.42Å; T135-L142 WeakPolarHBondContact O-CA 3.22Å; L136-L142 HydrophobicContact CB-CD1 4.06Å; L136-L142 HydrophobicContact CD1-CB 4.24Å; L136-L142 HydrophobicContact CD1-CD1 4.07Å; L142-L144 HydrophobicContact CD2-CD1 3.93Å; L142-L144 HydrophobicContact CG-CD1 3.97Å; L142-V164 HydrophobicContact CD1-CG1 3.91Å
143	T	94.4	Very high	86.7	Confident	30 Å²	30	45.6 Å²	45.6	18%	0.184	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	121.8	177.2	-57.6	0	0	0	0	110.2	T75 V76 Y77 C134 T135	T75-T143 HydrophobicContact CG2-CG2 3.96Å; V76-T143 CarbonylContact O-C 3.57Å; V76-T143 WeakPolarHBondContact O-CA 3.44Å; Y77-T143 HydrophobicContact CD1-CG2 4.03Å; Y77-T143 HydrophobicContact CE1-CG2 3.71Å; C134-T143 WeakPolarHBondContact CA-O 3.42Å; T135-T143 PolarHBondContact N-O 2.87Å; T135-T143 PolarHBondContact O-N 3.15Å
144	L	95.3	Very high	85	Confident	3 Å²	3	47.3 Å²	47.3	2%	0.016	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	131.6	173.9	-56.2	95.9	0	0	0	109.1	T75 V76 V90 L97 I99 T133 C134 L142	T75-L144 CarbonylContact C-O 3.6Å; T75-L144 WeakPolarHBondContact CA-O 3.27Å; T75-L144 WeakPolarHBondContact CG2-O 3.13Å; V76-L144 HydrophobicContact CB-CB 4.3Å; V76-L144 HydrophobicContact CB-CD1 4.2Å; V76-L144 HydrophobicContact CG1-CD1 4.33Å; V76-L144 PolarHBondContact N-O 2.99Å; V76-L144 PolarHBondContact O-N 3.26Å; V90-L144 HydrophobicContact CB-CD2 4.49Å; V90-L144 HydrophobicContact CG1-CD2 3.38Å; V90-L144 HydrophobicContact CG2-CD2 4.3Å; L97-L144 HydrophobicContact CD1-CD2 3.8Å; L97-L144 HydrophobicContact CD2-CB 4.2Å; L97-L144 HydrophobicContact CD2-CD2 3.89Å; L97-L144 HydrophobicContact CG-CD2 4.2Å; I99-L144 HydrophobicContact CD1-CD1 3.52Å; I99-L144 HydrophobicContact CD1-CD2 4.03Å; I99-L144 HydrophobicContact CD1-CG 4.47Å; I99-L144 HydrophobicContact CG1-CD2 4.39Å; T133-L144 VanDerWaalsContact O-CA 3.31Å; T133-L144 WeakPolarHBondContact O-CA 3.16Å; C134-L144 HydrophobicContact CB-CD2 4.25Å; C134-L144 HydrophobicContact CB-CG 4.3Å; L142-L144 HydrophobicContact CD2-CD1 3.93Å; L142-L144 HydrophobicContact CG-CD1 3.97Å
145	S	94.9	Very high	83.1	Confident	35 Å²	35	50 Å²	50	25%	0.245	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	129.6	-176.9	177.8	0	0	0	0	110.6	F74 I132 T133	F74-S145 WeakPolarHBondContact O-CA 3.33Å; I132-S145 WeakPolarHBondContact CA-O 3.37Å; T133-S145 PolarHBondContact N-O 2.91Å; T133-S145 PolarHBondContact O-N 3.44Å; T133-S145 PolarHBondContact OG1-O 3.43Å
146	G	93.7	Very high	81.6	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.01	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	130.2	174.5	0	0	0	0	0	111.2	K73 F74	K73-G146 CarbonylContact C-O 3.58Å; K73-G146 WeakPolarHBondContact CA-O 3.45Å; F74-G146 PolarHBondContact N-O 3.37Å; F74-G146 PolarHBondContact O-N 3.43Å
147	P	93.9	Very high	80.3	Confident	52 Å²	52	54.6 Å²	54.6	34%	0.338	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	151.9	175	29.2	-31.5	0	0	0	110.7	D128 A131	D128-P147 HydrophobicContact CB-CG 4.22Å; D128-P147 PolarHBondContact N-O 2.9Å; A131-P147 HydrophobicContact CB-CG 3.47Å; A131-P147 VanDerWaalsContact CB-CG 3.47Å
148	K	91.3	Very high	79.6	Confident	52 Å²	52	55.3 Å²	55.3	23%	0.226	37%	0.365	C	S	.	.	B	Isolated β-bridge	trans	-86.3	140.6	171.5	-71.6	-178.1	174.2	-177.6	0	110.5	S69 D70 K71 D72 S126 V127 S150	S69-K148 WeakPolarHBondContact OG-CE 3.31Å; S69-K148 PolarHBondContact OG-NZ 2.87Å; D70-K148 WeakPolarHBondContact O-CD 3.41Å; D70-K148 WeakPolarHBondContact O-CE 2.92Å; D70-K148 PolarHBondContact O-NZ 3.11Å; K71-K148 WeakPolarHBondContact O-CD 3.25Å; D72-K148 PolarHBondContact O-N 2.95Å; S126-K148 CarbonylContact O-C 3.6Å; S126-K148 WeakPolarHBondContact O-CA 3.47Å; S126-K148 WeakPolarHBondContact O-CB 3.33Å; V127-K148 HydrophobicContact CG2-CG 4.36Å; K148-S150 PolarHBondContact O-N 2.99Å
149	L	85.1	Confident	79.7	Confident	47 Å²	47	57.7 Å²	57.7	25%	0.246	37%	0.369	C	S	.	.			trans	-66.5	116	-179.3	-66.9	162.3	0	0	0	110.2	S126 D128 G151 S153	S126-L149 PolarHBondContact O-N 2.76Å; D128-L149 HydrophobicContact CB-CD2 3.66Å; D128-L149 HydrophobicContact CB-CG 4.09Å; L149-G151 VanDerWaalsContact C-N 3.29Å; L149-G151 PolarHBondContact O-N 3Å; L149-G151 VanDerWaalsContact O-N 3.08Å; L149-S153 VanDerWaalsContact CD1-O 3.24Å; L149-S153 WeakPolarHBondContact CD1-O 3.35Å; L149-S153 WeakPolarHBondContact CD2-O 3.32Å
150	S	72.3	Confident	80	Confident	133 Å²	133	57.8 Å²	57.8	93%	0.93	36%	0.363	S	S	*	.	S	Bend	trans	-83	74.2	172.1	47.7	0	0	0	0	110.2	K148	K148-S150 PolarHBondContact O-N 2.99Å
151	G	64.5	Low	80.3	Confident	64 Å²	64	61.9 Å²	61.9	66%	0.66	39%	0.39	S	S	*	.	S	Bend	trans	114	78.5	169.7	0	0	0	0	0	114.4	L149 S153	L149-G151 VanDerWaalsContact C-N 3.29Å; L149-G151 PolarHBondContact O-N 3Å; L149-G151 VanDerWaalsContact O-N 3.08Å; G151-S153 PolarHBondContact O-N 3.07Å
152	G	58	Low	80.5	Confident	81 Å²	81	60.4 Å²	60.4	84%	0.835	38%	0.382	S	S	*	.	S	Bend	trans	56.8	-2	153.8	0	0	0	0	0	119.2	E154	G152-E154 PolarHBondContact O-N 2.88Å
153	S	57.1	Low	80.6	Confident	62 Å²	62	64.9 Å²	64.9	43%	0.434	41%	0.411	S	S	.	.			trans	-81.3	102.3	-177.5	-170.4	0	0	0	0	109.2	L149 G151 S155	L149-S153 VanDerWaalsContact CD1-O 3.24Å; L149-S153 WeakPolarHBondContact CD1-O 3.35Å; L149-S153 WeakPolarHBondContact CD2-O 3.32Å; G151-S153 PolarHBondContact O-N 3.07Å; S153-S155 PolarHBondContact O-N 2.84Å; S153-S155 PolarHBondContact OG-OG 2.83Å
154	E	59	Low	80.6	Confident	116 Å²	116	64.9 Å²	64.9	54%	0.542	41%	0.411	S	S	.	.			trans	-65.8	68.2	169.1	-70.2	-83.6	166.8	0	0	109.8	G152 R157	G152-E154 PolarHBondContact O-N 2.88Å; E154-R157 VanDerWaalsContact CD-NH2 3.29Å; E154-R157 IonicContact OE1-NH2 3.09Å; E154-R157 PolarHBondContact OE1-NH2 3.35Å; E154-R157 VanDerWaalsContact OE1-NH2 3.13Å; E154-R157 IonicContact OE2-CZ 3.59Å; E154-R157 IonicContact OE2-NE 3.89Å; E154-R157 PolarHBondContact OE2-NE 3.03Å; E154-R157 IonicContact OE2-NH2 2.73Å; E154-R157 PolarHBondContact OE2-NH2 3.37Å
155	S	57.1	Low	80.5	Confident	59 Å²	59	68.7 Å²	68.7	41%	0.413	43%	0.434	S	S	.	.			trans	-101	125.1	-179.7	-63.6	0	0	0	0	110.2	S153	S153-S155 PolarHBondContact O-N 2.84Å; S153-S155 PolarHBondContact OG-OG 2.83Å
156	G	62.1	Low	80.3	Confident	41 Å²	41	74.4 Å²	74.4	42%	0.423	45%	0.451	S	S	.	.			trans	99.8	17.1	162.4	0	0	0	0	0	117.5	G158	G156-G158 PolarHBondContact O-N 3.24Å
157	R	69.3	Low	79.9	Confident	113 Å²	113	77.9 Å²	77.9	43%	0.426	47%	0.469	S	S	.	.			trans	-68.2	119.1	170.3	-62.5	-166.7	-170.4	-152.3	13.1	110.1	D95 E154	D95-R157 IonicContact OD1-CZ 3.81Å; D95-R157 IonicContact OD1-NE 2.92Å; D95-R157 IonicContact OD1-NH1 2.82Å; D95-R157 PolarHBondContact OD1-NH1 2.98Å; D95-R157 IonicContact OD2-NH1 3.25Å; D95-R157 PolarHBondContact OD2-NH1 2.85Å; E154-R157 VanDerWaalsContact CD-NH2 3.29Å; E154-R157 IonicContact OE1-NH2 3.09Å; E154-R157 PolarHBondContact OE1-NH2 3.35Å; E154-R157 VanDerWaalsContact OE1-NH2 3.13Å; E154-R157 IonicContact OE2-CZ 3.59Å; E154-R157 IonicContact OE2-NE 3.89Å; E154-R157 PolarHBondContact OE2-NE 3.03Å; E154-R157 IonicContact OE2-NH2 2.73Å; E154-R157 PolarHBondContact OE2-NH2 3.37Å
158	G	76.6	Confident	79.1	Confident	32 Å²	32	81.9 Å²	81.9	33%	0.33	49%	0.488	S	S	.	.	S	Bend	trans	172.3	175	-179.3	0	0	0	0	0	112.3	G156	G156-G158 PolarHBondContact O-N 3.24Å
159	E	89.3	Confident	77.9	Confident	154 Å²	154	86.6 Å²	86.6	72%	0.72	51%	0.508	S	S	*	.			trans	-79.8	126.4	175.3	-170.3	173.8	-175.7	0	0	110.6	V92	V92-E159 CarbonylContact O-C 3.59Å; V92-E159 VanDerWaalsContact O-CA 3.28Å; V92-E159 WeakPolarHBondContact O-CA 3.42Å
160	R	93.3	Very high	76.5	Confident	91 Å²	91	88.8 Å²	88.8	34%	0.343	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	125.4	180	178.2	-179.7	175.6	-124.9	0.4	111.3	K91 V92 Q129 S130 I132	K91-R160 CarbonylContact C-O 3.59Å; K91-R160 VanDerWaalsContact CA-O 3.3Å; K91-R160 WeakPolarHBondContact CA-O 3.41Å; V92-R160 PolarHBondContact N-O 3.14Å; V92-R160 PolarHBondContact O-N 3.01Å; Q129-R160 PolarHBondContact O-NH1 3.28Å; S130-R160 PolarHBondContact O-NH1 3.34Å; S130-R160 PolarHBondContact O-NH2 3.33Å; I132-R160 PolarHBondContact O-NH1 3.08Å
161	S	95.1	Very high	75.6	Confident	95 Å²	95	87.7 Å²	87.7	66%	0.664	51%	0.509	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.5	135.7	166.6	59.6	0	0	0	0	110.9
162	I	95.4	Very high	74.7	Confident	8 Å²	8	88.7 Å²	88.7	4%	0.041	51%	0.51	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	122.1	177.8	-56.1	175.7	0	0	0	108.3	V90 V92 L97 I132 C134	V90-I162 HydrophobicContact CB-CB 4.26Å; V90-I162 HydrophobicContact CG1-CB 3.92Å; V90-I162 HydrophobicContact CG1-CD1 4.1Å; V90-I162 HydrophobicContact CG1-CG1 4.38Å; V90-I162 PolarHBondContact O-N 3.37Å; V92-I162 HydrophobicContact CG2-CD1 3.7Å; V92-I162 HydrophobicContact CG2-CG1 4.44Å; L97-I162 HydrophobicContact CD1-CD1 4.31Å; I132-I162 HydrophobicContact CB-CD1 3.78Å; I132-I162 HydrophobicContact CG2-CD1 3.51Å; C134-I162 HydrophobicContact CB-CG2 3.6Å
163	P	94.8	Very high	73.9	Confident	94 Å²	94	88.6 Å²	88.6	61%	0.61	50%	0.502	S	S	*	.			trans	-67	139.8	176.2	28.4	-33.8	0	0	0	110.6
164	V	95.1	Very high	73	Confident	30 Å²	30	91.3 Å²	91.3	18%	0.182	52%	0.518	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	107.1	174.9	-177.1	0	0	0	0	108.5	P85 L88 V90 L136 L142	P85-V164 HydrophobicContact CB-CG1 4.26Å; L88-V164 HydrophobicContact CB-CG2 4.25Å; V90-V164 HydrophobicContact CG2-CG2 3.91Å; L136-V164 HydrophobicContact CB-CG1 3.77Å; L142-V164 HydrophobicContact CD1-CG1 3.91Å
165	T	93.3	Very high	71.9	Confident	82 Å²	82	91.4 Å²	91.4	50%	0.503	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	129.8	178.1	-55.6	0	0	0	0	110.2	C134 T135 L136	C134-T165 PolarHBondContact O-N 2.62Å; T135-T165 CarbonylContact C-O 3.59Å; T135-T165 VanDerWaalsContact CA-O 3.23Å; T135-T165 WeakPolarHBondContact CA-O 2.95Å; L136-T165 PolarHBondContact N-O 2.74Å
166	R	90.1	Very high	70.9	Confident	156 Å²	156	97.7 Å²	97.7	59%	0.589	58%	0.575	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-72.1	128.8	170.2	-76	-173.9	173.8	131.1	2.1	109.9	P85 L136	P85-R166 HydrophobicContact CG-CG 3.85Å; P85-R166 VanDerWaalsContact CG-CZ 3.49Å; L136-R166 WeakPolarHBondContact O-CA 3.3Å
167	D	86.1	Confident	71.3	Confident	73 Å²	73	100.5 Å²	100.5	39%	0.39	58%	0.583	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-101.3	117.2	170.2	-164.9	-4.5	0	0	0	108.7	L136 K169	L136-D167 PolarHBondContact O-N 3.4Å; D167-K169 PolarHBondContact O-N 3.14Å; D167-K169 VanDerWaalsContact OD1-CB 3.31Å; D167-K169 WeakPolarHBondContact OD1-CB 3.32Å; D167-K169 PolarHBondContact OD1-N 3.21Å; D167-K169 VanDerWaalsContact OD1-N 3.13Å
168	D	75.7	Confident	71.4	Confident	137 Å²	137	99.8 Å²	99.8	73%	0.733	59%	0.591	S	S	*	*			trans	-77.2	-4.5	178.1	-67.1	-37.7	0	0	0	112	P170	D168-P170 VanDerWaalsContact O-CD 3.22Å; D168-P170 WeakPolarHBondContact O-CD 3.24Å
169	K	67.6	Low	71.1	Confident	151 Å²	151	103.6 Å²	103.6	66%	0.657	61%	0.606	S	S	*	*	S	Bend	trans	-77.5	113.7	178.2	-166.7	173.6	-177.7	178.1	0	110	D167 N171	D167-K169 PolarHBondContact O-N 3.14Å; D167-K169 VanDerWaalsContact OD1-CB 3.31Å; D167-K169 WeakPolarHBondContact OD1-CB 3.32Å; D167-K169 PolarHBondContact OD1-N 3.21Å; D167-K169 VanDerWaalsContact OD1-N 3.13Å; K169-N171 PolarHBondContact O-N 2.8Å
170	P	55.3	Low	70.1	Confident	92 Å²	92	100.6 Å²	100.6	60%	0.597	60%	0.599	S	S	*	*			trans	-61.2	134	170.7	25.9	-32	0	0	0	108.3	D168 A172	D168-P170 VanDerWaalsContact O-CD 3.22Å; D168-P170 WeakPolarHBondContact O-CD 3.24Å; P170-A172 PolarHBondContact O-N 3.48Å
171	N	52.9	Low	68.6	Low	111 Å²	111	101.3 Å²	101.3	59%	0.594	62%	0.615	S	S	*	*			trans	-63.5	90.2	174.3	-169.4	18.8	0	0	0	107.9	K169 A173	K169-N171 PolarHBondContact O-N 2.8Å; N171-A173 VanDerWaalsContact C-N 3.31Å; N171-A173 PolarHBondContact O-N 3.04Å
172	A	44.7	Very low	66.9	Low	84 Å²	84	101.7 Å²	101.7	69%	0.694	61%	0.612	S	S	*	*			trans	-63.9	99.9	172.1	0	0	0	0	0	106.2	P170	P170-A172 PolarHBondContact O-N 3.48Å
173	A	42	Very low	64.8	Low	79 Å²	79	108.4 Å²	108.4	65%	0.653	65%	0.652	S	S	*	*			trans	-47.4	133.9	165.3	0	0	0	0	0	107.4	N171 S175	N171-A173 VanDerWaalsContact C-N 3.31Å; N171-A173 PolarHBondContact O-N 3.04Å; A173-S175 PolarHBondContact O-N 3.46Å
174	P	39.4	Very low	62.5	Low	120 Å²	120	109.5 Å²	109.5	78%	0.779	66%	0.656	S	S	*	*			trans	-58.8	107.9	172.9	24.1	-31	0	0	0	107.1	S176	P174-S176 PolarHBondContact O-N 3.04Å
175	S	35.8	Very low	59.8	Low	117 Å²	117	116.1 Å²	116.1	82%	0.818	70%	0.695	S	S	*	*			trans	-54.6	113.2	167.5	49.7	0	0	0	0	106.7	A173	A173-S175 PolarHBondContact O-N 3.46Å
176	S	34.8	Very low	56.7	Low	191 Å²	191	119.2 Å²	119.2	100%	1.336	71%	0.713	S	S	*	*			trans	-67	0	169.2	-60.2	0	0	0	0	110.5	P174	P174-S176 PolarHBondContact O-N 3.04Å

Retrieved 176 of 176 residues in 213.5 ms (Link to these results)

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