A0A077Z0R6_TRITR Loading...

Heat shock protein beta-1

AlphaFold DB , UniProt , Accession A0A077Z0R6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 184 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	51.7	Low	43.1	Very low	250 Å²	250	156.2 Å²	156.2	100%	1.232	86%	0.86	S	S	*	*				0	94.1	0	-80	-177.9	175.5	0	0	107.7
2	E	35.8	Very low	42.2	Very low	182 Å²	182	157.5 Å²	157.5	85%	0.85	87%	0.865	S	S	*	*			trans	-81.8	134.7	178.3	-63	170.4	121.3	0	0	109.7
3	K	48.9	Very low	41.4	Very low	210 Å²	210	150.2 Å²	150.2	91%	0.913	85%	0.848	S	S	*	*			trans	-143.5	94.5	154.9	-77.5	-164.9	177.2	176	0	109.4
4	S	43.7	Very low	41	Very low	114 Å²	114	146.6 Å²	146.6	80%	0.797	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-63.4	138.6	173.9	-49.8	0	0	0	0	111.9
5	A	56	Low	41.3	Very low	93 Å²	93	151.4 Å²	151.4	77%	0.769	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-78.1	138.9	166.9	0	0	0	0	0	110	S7	A5-S7 PolarHBondContact O-N 3.08Å
6	P	46.3	Very low	41.8	Very low	123 Å²	123	153.3 Å²	153.3	80%	0.799	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-76.4	124.9	179.4	30.6	-31.8	0	0	0	110.9
7	S	38.2	Very low	42.3	Very low	113 Å²	113	150.1 Å²	150.1	79%	0.79	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-64.6	125.5	157	161.6	0	0	0	0	109.5	A5	A5-S7 PolarHBondContact O-N 3.08Å
8	E	43	Very low	43.1	Very low	169 Å²	169	144.1 Å²	144.1	79%	0.79	81%	0.813	S	S	*	*			trans	-131.7	95.6	160	-81.7	-169.9	132.9	0	0	110.7
9	Q	38.8	Very low	44.2	Very low	170 Å²	170	138.7 Å²	138.7	79%	0.794	79%	0.793	S	S	*	*				53	104	126	-72.9	176.3	-36.8	0	0	118.6	G11	Q9-G11 PolarHBondContact O-N 2.86Å; Q9-G11 VanDerWaalsContact O-N 3.12Å
10	K	35.2	Very low	44.9	Very low	219 Å²	219	137.6 Å²	137.6	95%	0.952	78%	0.779	S	S	*	*			trans	-54.8	104.8	145.1	-72.9	177.8	175.1	175.3	0	109.3
11	G	36.8	Very low	45.9	Very low	75 Å²	75	136.7 Å²	136.7	77%	0.773	77%	0.772	S	S	*	*			trans	-95.7	107.1	167.2	0	0	0	0	0	110.4	Q9	Q9-G11 PolarHBondContact O-N 2.86Å; Q9-G11 VanDerWaalsContact O-N 3.12Å
12	D	31.7	Very low	46.8	Very low	172 Å²	172	128.8 Å²	128.8	92%	0.92	73%	0.732	S	S	*	*			trans	-59.7	158.7	167.1	-155.1	-8.3	0	0	0	111.7
13	G	32.5	Very low	48.3	Very low	63 Å²	63	121.9 Å²	121.9	65%	0.649	70%	0.701	S	S	*	*			trans	123.4	101.5	160.9	0	0	0	0	0	117.1
14	S	35.9	Very low	49.2	Very low	99 Å²	99	116.6 Å²	116.6	69%	0.692	68%	0.675	S	S	*	*			trans	61.5	89.5	148.7	-164.6	0	0	0	0	117.3	K16	S14-K16 PolarHBondContact O-N 2.9Å
15	K	45.6	Very low	50.6	Low	219 Å²	219	117.2 Å²	117.2	95%	0.952	67%	0.665	S	S	*	*			trans	-67.3	70.2	160.6	-74.9	179.2	179.6	169.4	0	110.4	A17	K15-A17 PolarHBondContact O-N 2.86Å
16	K	48.4	Very low	51.3	Low	181 Å²	181	117.5 Å²	117.5	79%	0.787	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-64.4	127.3	159.1	-89.3	-177.7	175.5	177.8	0	107.2	S14 A18	S14-K16 PolarHBondContact O-N 2.9Å; K16-A18 PolarHBondContact O-N 3.19Å; K16-A18 VanDerWaalsContact O-N 3.09Å
17	A	51.5	Low	52.2	Low	100 Å²	100	112.7 Å²	112.7	83%	0.826	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-53.8	119.9	177.8	0	0	0	0	0	108.9	K15 G19	K15-A17 PolarHBondContact O-N 2.86Å; A17-G19 PolarHBondContact O-N 2.9Å
18	A	56.1	Low	53.7	Low	41 Å²	41	109.7 Å²	109.7	34%	0.339	59%	0.592	S	S	.	*	P	Polyproline II helix	trans	-49.8	116.5	177.1	0	0	0	0	0	109.1	K16 E22 L23	K16-A18 PolarHBondContact O-N 3.19Å; K16-A18 VanDerWaalsContact O-N 3.09Å; A18-E22 VanDerWaalsContact CA-OE2 3.3Å; A18-E22 WeakPolarHBondContact CA-OE2 3.46Å; A18-E22 HydrophobicContact CB-CB 4.26Å; A18-E22 HydrophobicContact CB-CG 4.5Å; A18-E22 WeakPolarHBondContact CB-OE2 3.35Å; A18-L23 HydrophobicContact CB-CG 4.45Å
19	G	63	Low	55	Low	43 Å²	43	106.8 Å²	106.8	44%	0.443	58%	0.579	S	S	.	*	P	Polyproline II helix	trans	-60.6	160.6	177.6	0	0	0	0	0	110.9	A17 D21 E22 L23	A17-G19 PolarHBondContact O-N 2.9Å; G19-D21 PolarHBondContact O-N 2.82Å; G19-D21 VanDerWaalsContact O-N 3.15Å; G19-E22 WeakPolarHBondContact O-CB 3.47Å; G19-E22 PolarHBondContact O-N 3.35Å; G19-L23 PolarHBondContact O-N 2.82Å
20	F	58.3	Low	56.3	Low	116 Å²	116	99.1 Å²	99.1	51%	0.509	54%	0.544	S	S	.	.	H	α-helix	trans	-50.8	-40.4	179.8	177.8	-96.7	0	0	0	112.3	E22 L23 W24	F20-E22 VanDerWaalsContact C-N 3.34Å; F20-E22 PolarHBondContact O-N 3.02Å; F20-L23 PolarHBondContact O-N 3.37Å; F20-W24 WeakPolarHBondContact O-CB 3.26Å; F20-W24 PolarHBondContact O-N 3.32Å
21	D	66.9	Low	57.7	Low	119 Å²	119	93.7 Å²	93.7	64%	0.636	52%	0.522	S	S	*	.	H	α-helix	trans	-61.5	-38.7	178.4	-68.7	-22.7	0	0	0	113.1	G19 W24 Q25	G19-D21 PolarHBondContact O-N 2.82Å; G19-D21 VanDerWaalsContact O-N 3.15Å; D21-W24 PolarHBondContact O-N 2.89Å; D21-Q25 WeakPolarHBondContact O-CG 3.39Å; D21-Q25 PolarHBondContact O-N 2.81Å
22	E	70.9	Confident	59.2	Low	83 Å²	83	98.3 Å²	98.3	39%	0.388	52%	0.521	S	S	.	.	H	α-helix	trans	-70.9	-38.1	179.4	-159.7	-161.7	141.2	0	0	111.3	A18 G19 F20 W24 K26	A18-E22 VanDerWaalsContact CA-OE2 3.3Å; A18-E22 WeakPolarHBondContact CA-OE2 3.46Å; A18-E22 HydrophobicContact CB-CB 4.26Å; A18-E22 HydrophobicContact CB-CG 4.5Å; A18-E22 WeakPolarHBondContact CB-OE2 3.35Å; G19-E22 WeakPolarHBondContact O-CB 3.47Å; G19-E22 PolarHBondContact O-N 3.35Å; F20-E22 VanDerWaalsContact C-N 3.34Å; F20-E22 PolarHBondContact O-N 3.02Å; E22-W24 VanDerWaalsContact C-N 3.34Å; E22-K26 WeakPolarHBondContact O-CG 3.47Å; E22-K26 PolarHBondContact O-N 3.4Å; E22-K26 VanDerWaalsContact O-N 3.09Å; E22-K26 IonicContact OE1-NZ 2.7Å; E22-K26 PolarHBondContact OE1-NZ 3.33Å
23	L	67.5	Low	60.6	Low	38 Å²	38	97.9 Å²	97.9	20%	0.199	51%	0.507	C	S	.	.	H	α-helix	trans	-66.4	-37.7	172.7	-74.3	168.8	0	0	0	111.6	A18 G19 F20 Y27 L45	A18-L23 HydrophobicContact CB-CG 4.45Å; G19-L23 PolarHBondContact O-N 2.82Å; F20-L23 PolarHBondContact O-N 3.37Å; L23-Y27 WeakPolarHBondContact O-CB 3.45Å; L23-Y27 PolarHBondContact O-N 3.49Å; L23-L45 HydrophobicContact CD2-CD2 3.51Å
24	W	67.2	Low	61.8	Low	99 Å²	99	103.9 Å²	103.9	38%	0.375	52%	0.515	S	S	.	.	H	α-helix	trans	-67.4	-44.6	176.9	-173.9	-112.5	0	0	0	111.9	F20 D21 E22 K26 Y27 V28 M96	F20-W24 WeakPolarHBondContact O-CB 3.26Å; F20-W24 PolarHBondContact O-N 3.32Å; D21-W24 PolarHBondContact O-N 2.89Å; E22-W24 VanDerWaalsContact C-N 3.34Å; W24-K26 VanDerWaalsContact C-N 3.34Å; W24-K26 PolarHBondContact O-N 3.07Å; W24-Y27 HydrophobicContact CE3-CD1 4.27Å; W24-Y27 HydrophobicContact CH2-CD1 4.36Å; W24-Y27 HydrophobicContact CH2-CE1 4.42Å; W24-Y27 AromaticContact CZ3-CD1 3.97Å; W24-Y27 HydrophobicContact CZ3-CD1 3.97Å; W24-Y27 HydrophobicContact CZ3-CE1 4.26Å; W24-Y27 WeakPolarHBondContact O-CB 3.49Å; W24-Y27 PolarHBondContact O-N 3.04Å; W24-V28 HydrophobicContact CZ2-CG2 4.43Å; W24-V28 WeakPolarHBondContact O-CG2 2.74Å; W24-V28 PolarHBondContact O-N 2.82Å; W24-M96 HydrophobicContact CH2-CG 4.05Å; W24-M96 HydrophobicContact CH2-SD 4.3Å
25	Q	72.3	Confident	63	Low	126 Å²	126	104.5 Å²	104.5	59%	0.589	51%	0.51	S	S	*	.	H	α-helix	trans	-60.4	-42.8	175	-75.2	-172.6	1.3	0	0	112	D21 Y27 V28 Q29	D21-Q25 WeakPolarHBondContact O-CG 3.39Å; D21-Q25 PolarHBondContact O-N 2.81Å; Q25-Y27 VanDerWaalsContact C-N 3.34Å; Q25-Y27 PolarHBondContact O-N 3.25Å; Q25-V28 PolarHBondContact O-N 3.36Å; Q25-Q29 WeakPolarHBondContact O-CG 3.22Å; Q25-Q29 PolarHBondContact O-N 2.8Å
26	K	70.6	Confident	63.7	Low	99 Å²	99	99.7 Å²	99.7	43%	0.43	50%	0.495	S	S	.	.	H	α-helix	trans	-62.7	-39	174.9	-77.6	171.3	173.7	160.7	0	112.4	E22 W24 Q29 A30 L45	E22-K26 WeakPolarHBondContact O-CG 3.47Å; E22-K26 PolarHBondContact O-N 3.4Å; E22-K26 VanDerWaalsContact O-N 3.09Å; E22-K26 IonicContact OE1-NZ 2.7Å; E22-K26 PolarHBondContact OE1-NZ 3.33Å; W24-K26 VanDerWaalsContact C-N 3.34Å; W24-K26 PolarHBondContact O-N 3.07Å; K26-Q29 PolarHBondContact O-N 2.8Å; K26-A30 WeakPolarHBondContact O-CB 3.26Å; K26-A30 PolarHBondContact O-N 2.99Å; K26-L45 HydrophobicContact CB-CD1 4.31Å
27	Y	66.2	Low	64.2	Low	22 Å²	22	98.3 Å²	98.3	9%	0.086	49%	0.491	C	S	.	.	H	α-helix	trans	-61.8	-50.4	175.2	177.6	-91.9	0	0	0	111.6	L23 W24 Q25 Q29 A30 E31 L42 M96	L23-Y27 WeakPolarHBondContact O-CB 3.45Å; L23-Y27 PolarHBondContact O-N 3.49Å; W24-Y27 HydrophobicContact CE3-CD1 4.27Å; W24-Y27 HydrophobicContact CH2-CD1 4.36Å; W24-Y27 HydrophobicContact CH2-CE1 4.42Å; W24-Y27 AromaticContact CZ3-CD1 3.97Å; W24-Y27 HydrophobicContact CZ3-CD1 3.97Å; W24-Y27 HydrophobicContact CZ3-CE1 4.26Å; W24-Y27 WeakPolarHBondContact O-CB 3.49Å; W24-Y27 PolarHBondContact O-N 3.04Å; Q25-Y27 VanDerWaalsContact C-N 3.34Å; Q25-Y27 PolarHBondContact O-N 3.25Å; Y27-Q29 VanDerWaalsContact C-N 3.3Å; Y27-Q29 PolarHBondContact O-N 3.49Å; Y27-A30 PolarHBondContact O-N 3.04Å; Y27-E31 WeakPolarHBondContact CE1-OE2 3.27Å; Y27-E31 WeakPolarHBondContact O-CB 3.46Å; Y27-E31 PolarHBondContact O-N 3.09Å; Y27-L42 HydrophobicContact CD2-CD1 3.88Å; Y27-L42 HydrophobicContact CD2-CD2 4.35Å; Y27-L42 HydrophobicContact CD2-CG 3.78Å; Y27-L42 HydrophobicContact CE2-CD1 3.84Å; Y27-L42 HydrophobicContact CE2-CD2 3.53Å; Y27-L42 HydrophobicContact CE2-CG 3.46Å; Y27-L42 VanDerWaalsContact CE2-CG 3.46Å; Y27-M96 HydrophobicContact CE1-CE 4.01Å; Y27-M96 HydrophobicContact CE1-SD 4.23Å; Y27-M96 WeakPolarHBondContact OH-CE 3.45Å
28	V	70.1	Confident	64.7	Low	51 Å²	51	94.1 Å²	94.1	31%	0.309	46%	0.456	S	S	.	.	H	α-helix	trans	-60.9	-39.2	179.1	172.7	0	0	0	0	111.4	W24 Q25 K32	W24-V28 HydrophobicContact CZ2-CG2 4.43Å; W24-V28 WeakPolarHBondContact O-CG2 2.74Å; W24-V28 PolarHBondContact O-N 2.82Å; Q25-V28 PolarHBondContact O-N 3.36Å; V28-K32 WeakPolarHBondContact O-CG 3.32Å; V28-K32 PolarHBondContact O-N 3.4Å
29	Q	69.8	Low	65	Low	108 Å²	108	98.3 Å²	98.3	51%	0.505	47%	0.466	S	S	.	.	H	α-helix	trans	-68	-39.5	176.3	-74.5	-178.1	1.7	0	0	112.8	Q25 K26 Y27	Q25-Q29 WeakPolarHBondContact O-CG 3.22Å; Q25-Q29 PolarHBondContact O-N 2.8Å; K26-Q29 PolarHBondContact O-N 2.8Å; Y27-Q29 VanDerWaalsContact C-N 3.3Å; Y27-Q29 PolarHBondContact O-N 3.49Å
30	A	65.4	Low	65.3	Low	8 Å²	8	102 Å²	102	7%	0.066	47%	0.472	C	S	.	.	H	α-helix	trans	-70.2	-37.1	178	0	0	0	0	0	112.3	K26 Y27 K32 R33 S38 L42	K26-A30 WeakPolarHBondContact O-CB 3.26Å; K26-A30 PolarHBondContact O-N 2.99Å; Y27-A30 PolarHBondContact O-N 3.04Å; A30-K32 VanDerWaalsContact C-N 3.28Å; A30-K32 PolarHBondContact O-N 3.35Å; A30-R33 PolarHBondContact O-N 2.85Å; A30-S38 WeakPolarHBondContact O-CB 3.41Å; A30-L42 HydrophobicContact CB-CD1 3.8Å
31	E	65.1	Low	65.7	Low	105 Å²	105	101.3 Å²	101.3	49%	0.491	47%	0.471	S	S	.	.	H	α-helix	trans	-63.7	-34.1	177.2	-164.3	171.1	-154.2	0	0	112.1	Y27 R33 L42	Y27-E31 WeakPolarHBondContact CE1-OE2 3.27Å; Y27-E31 WeakPolarHBondContact O-CB 3.46Å; Y27-E31 PolarHBondContact O-N 3.09Å; E31-R33 VanDerWaalsContact C-N 3.32Å; E31-R33 PolarHBondContact O-N 2.99Å; E31-L42 HydrophobicContact CB-CD1 4.11Å
32	K	67.5	Low	65.5	Low	172 Å²	172	97.4 Å²	97.4	75%	0.748	45%	0.45	S	S	*	.	H	α-helix	trans	-68	-25.3	175.9	-75.5	-178.6	177.9	-174.6	0	114.3	V28 A30	V28-K32 WeakPolarHBondContact O-CG 3.32Å; V28-K32 PolarHBondContact O-N 3.4Å; A30-K32 VanDerWaalsContact C-N 3.28Å; A30-K32 PolarHBondContact O-N 3.35Å
33	R	62	Low	65.6	Low	164 Å²	164	100.1 Å²	100.1	62%	0.619	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-12.5	-171	-73.5	-179.9	-176.8	171.8	1.9	114.8	A30 E31 D35 S38	A30-R33 PolarHBondContact O-N 2.85Å; E31-R33 VanDerWaalsContact C-N 3.32Å; E31-R33 PolarHBondContact O-N 2.99Å; R33-D35 PolarHBondContact O-N 2.88Å; R33-S38 WeakPolarHBondContact CB-OG 3.37Å
34	K	58.5	Low	66	Low	188 Å²	188	106.8 Å²	106.8	82%	0.817	49%	0.485	S	S	*	.			trans	47.8	0.2	178.6	-76.7	-170.9	179.4	-179.8	0	117.8
35	D	61	Low	66.3	Low	112 Å²	112	103.3 Å²	103.3	60%	0.599	47%	0.473	S	S	*	.			trans	-76.9	149.6	179.8	-85.5	-31.9	0	0	0	112.4	R33 Q37 S38 K39	R33-D35 PolarHBondContact O-N 2.88Å; D35-Q37 PolarHBondContact O-N 2.78Å; D35-S38 WeakPolarHBondContact O-CA 2.99Å; D35-S38 WeakPolarHBondContact O-CB 3.37Å; D35-S38 PolarHBondContact O-N 3.09Å; D35-S38 PolarHBondContact O-OG 3.24Å; D35-K39 PolarHBondContact O-N 2.9Å; D35-K39 VanDerWaalsContact O-N 3.15Å
36	N	59.8	Low	66.3	Low	118 Å²	118	105.8 Å²	105.8	63%	0.631	48%	0.477	S	S	*	.	H	α-helix	trans	-60.9	-29.8	179.6	-81.3	-24.5	0	0	0	112.7	S38 K39 Q40	N36-S38 VanDerWaalsContact C-N 3.31Å; N36-K39 PolarHBondContact O-N 3.27Å; N36-Q40 PolarHBondContact O-N 3.33Å
37	Q	59.2	Low	66.6	Low	152 Å²	152	105.7 Å²	105.7	71%	0.71	48%	0.481	S	S	*	.	H	α-helix	trans	-64.5	-36.1	169.5	-94.1	-170.3	-15.4	0	0	112.2	D35 K39 Q41	D35-Q37 PolarHBondContact O-N 2.78Å; Q37-K39 VanDerWaalsContact C-N 3.34Å; Q37-Q41 WeakPolarHBondContact O-CG 3.16Å; Q37-Q41 PolarHBondContact O-N 2.94Å
38	S	62	Low	67.2	Low	12 Å²	12	111.2 Å²	111.2	8%	0.084	51%	0.506	C	S	.	.	H	α-helix	trans	-67.6	-34.8	177.5	-45.1	0	0	0	0	111.6	A30 R33 D35 N36 Q41 L42	A30-S38 WeakPolarHBondContact O-CB 3.41Å; R33-S38 WeakPolarHBondContact CB-OG 3.37Å; D35-S38 WeakPolarHBondContact O-CA 2.99Å; D35-S38 WeakPolarHBondContact O-CB 3.37Å; D35-S38 PolarHBondContact O-N 3.09Å; D35-S38 PolarHBondContact O-OG 3.24Å; N36-S38 VanDerWaalsContact C-N 3.31Å; S38-Q41 PolarHBondContact O-N 2.69Å; S38-L42 WeakPolarHBondContact O-CB 3.26Å; S38-L42 PolarHBondContact O-N 3.33Å
39	K	61.9	Low	67.2	Low	129 Å²	129	110.6 Å²	110.6	56%	0.561	50%	0.499	S	S	*	.	H	α-helix	trans	-62.5	-47	175	-72.2	-178.4	-178.2	168.4	0	112.9	D35 N36 Q37 Q41 L42 E43	D35-K39 PolarHBondContact O-N 2.9Å; D35-K39 VanDerWaalsContact O-N 3.15Å; N36-K39 PolarHBondContact O-N 3.27Å; Q37-K39 VanDerWaalsContact C-N 3.34Å; K39-Q41 VanDerWaalsContact C-N 3.3Å; K39-Q41 PolarHBondContact O-N 3.48Å; K39-L42 VanDerWaalsContact O-CB 3.31Å; K39-L42 WeakPolarHBondContact O-CB 3.46Å; K39-L42 PolarHBondContact O-N 2.86Å; K39-L42 VanDerWaalsContact O-N 3.12Å; K39-E43 PolarHBondContact O-N 2.85Å
40	Q	68.5	Low	67.4	Low	121 Å²	121	110.9 Å²	110.9	57%	0.565	50%	0.499	S	S	*	.	H	α-helix	trans	-63.4	-37.7	177	-71	-174.1	-5.7	0	0	111.9	N36 L42 E43 R44	N36-Q40 PolarHBondContact O-N 3.33Å; Q40-L42 VanDerWaalsContact C-N 3.35Å; Q40-E43 PolarHBondContact O-N 3.2Å; Q40-R44 WeakPolarHBondContact O-CG 3.46Å; Q40-R44 PolarHBondContact O-N 2.79Å
41	Q	66.4	Low	68	Low	102 Å²	102	118.8 Å²	118.8	48%	0.477	53%	0.527	S	S	.	.	H	α-helix	trans	-65.1	-39.6	173	-71.1	-178	-1.3	0	0	111.8	Q37 S38 K39 R44 L45	Q37-Q41 WeakPolarHBondContact O-CG 3.16Å; Q37-Q41 PolarHBondContact O-N 2.94Å; S38-Q41 PolarHBondContact O-N 2.69Å; K39-Q41 VanDerWaalsContact C-N 3.3Å; K39-Q41 PolarHBondContact O-N 3.48Å; Q41-R44 PolarHBondContact O-N 3.48Å; Q41-L45 WeakPolarHBondContact O-CG 3.26Å; Q41-L45 PolarHBondContact O-N 2.82Å
42	L	64.6	Low	68.5	Low	37 Å²	37	120.5 Å²	120.5	19%	0.194	53%	0.529	C	S	.	.	H	α-helix	trans	-62.2	-44.4	176.8	-143	98.7	0	0	0	111.6	Y27 A30 E31 S38 K39 Q40 L45 R46	Y27-L42 HydrophobicContact CD2-CD1 3.88Å; Y27-L42 HydrophobicContact CD2-CD2 4.35Å; Y27-L42 HydrophobicContact CD2-CG 3.78Å; Y27-L42 HydrophobicContact CE2-CD1 3.84Å; Y27-L42 HydrophobicContact CE2-CD2 3.53Å; Y27-L42 HydrophobicContact CE2-CG 3.46Å; Y27-L42 VanDerWaalsContact CE2-CG 3.46Å; A30-L42 HydrophobicContact CB-CD1 3.8Å; E31-L42 HydrophobicContact CB-CD1 4.11Å; S38-L42 WeakPolarHBondContact O-CB 3.26Å; S38-L42 PolarHBondContact O-N 3.33Å; K39-L42 VanDerWaalsContact O-CB 3.31Å; K39-L42 WeakPolarHBondContact O-CB 3.46Å; K39-L42 PolarHBondContact O-N 2.86Å; K39-L42 VanDerWaalsContact O-N 3.12Å; Q40-L42 VanDerWaalsContact C-N 3.35Å; L42-L45 PolarHBondContact O-N 3.13Å; L42-R46 WeakPolarHBondContact O-CB 3.27Å; L42-R46 PolarHBondContact O-N 3.17Å
43	E	72	Confident	68.7	Low	140 Å²	140	117.4 Å²	117.4	65%	0.654	52%	0.519	S	S	*	.	H	α-helix	trans	-62.8	-43.4	175.3	-75.7	-173.1	160.7	0	0	111.7	K39 Q40 L45 R46 L47	K39-E43 PolarHBondContact O-N 2.85Å; Q40-E43 PolarHBondContact O-N 3.2Å; E43-L45 VanDerWaalsContact C-N 3.34Å; E43-L45 PolarHBondContact O-N 2.96Å; E43-R46 PolarHBondContact O-N 2.69Å; E43-L47 WeakPolarHBondContact O-CB 3.43Å; E43-L47 PolarHBondContact O-N 2.8Å
44	R	76.4	Confident	69.4	Low	178 Å²	178	113.5 Å²	113.5	67%	0.672	51%	0.507	S	S	*	.	H	α-helix	trans	-60.8	-42	175.3	-74.2	176.6	-178.7	-172.8	2.4	112.1	Q40 Q41 K48	Q40-R44 WeakPolarHBondContact O-CG 3.46Å; Q40-R44 PolarHBondContact O-N 2.79Å; Q41-R44 PolarHBondContact O-N 3.48Å; R44-K48 PolarHBondContact O-N 2.77Å
45	L	72.4	Confident	70.4	Confident	25 Å²	25	110.8 Å²	110.8	13%	0.131	50%	0.496	C	S	.	.	H	α-helix	trans	-65.1	-43.8	176.1	-76.2	169.2	0	0	0	111.4	L23 K26 Q41 L42 E43 L47 K48 Q49	L23-L45 HydrophobicContact CD2-CD2 3.51Å; K26-L45 HydrophobicContact CB-CD1 4.31Å; Q41-L45 WeakPolarHBondContact O-CG 3.26Å; Q41-L45 PolarHBondContact O-N 2.82Å; L42-L45 PolarHBondContact O-N 3.13Å; E43-L45 VanDerWaalsContact C-N 3.34Å; E43-L45 PolarHBondContact O-N 2.96Å; L45-L47 VanDerWaalsContact C-N 3.35Å; L45-L47 PolarHBondContact O-N 3.26Å; L45-K48 WeakPolarHBondContact O-CB 3.12Å; L45-K48 PolarHBondContact O-N 2.79Å; L45-Q49 PolarHBondContact O-N 3.03Å
46	R	71.9	Confident	71	Confident	178 Å²	178	110 Å²	110	67%	0.672	49%	0.487	S	S	*	.	H	α-helix	trans	-61.5	-42.3	176.9	-168.8	176.3	-178.2	177.2	-1.5	111.9	L42 E43 Q49 F50	L42-R46 WeakPolarHBondContact O-CB 3.27Å; L42-R46 PolarHBondContact O-N 3.17Å; E43-R46 PolarHBondContact O-N 2.69Å; R46-Q49 PolarHBondContact O-N 2.99Å; R46-F50 WeakPolarHBondContact O-CB 3.4Å; R46-F50 PolarHBondContact O-N 2.79Å
47	L	77.8	Confident	71.4	Confident	98 Å²	98	111.4 Å²	111.4	51%	0.513	48%	0.483	S	S	.	.	H	α-helix	trans	-65.7	-40.1	176.5	-144.7	90.2	0	0	0	111.7	E43 L45 F50 R51	E43-L47 WeakPolarHBondContact O-CB 3.43Å; E43-L47 PolarHBondContact O-N 2.8Å; L45-L47 VanDerWaalsContact C-N 3.35Å; L45-L47 PolarHBondContact O-N 3.26Å; L47-F50 PolarHBondContact O-N 3.31Å; L47-R51 WeakPolarHBondContact O-CG 3.36Å; L47-R51 PolarHBondContact O-N 3.33Å
48	K	79.4	Confident	71.9	Confident	138 Å²	138	105.5 Å²	105.5	60%	0.6	46%	0.461	S	S	*	.	H	α-helix	trans	-61.9	-45.8	174.3	-84.9	-177.2	176.7	-178	0	111.8	R44 L45 F50 R51 W52	R44-K48 PolarHBondContact O-N 2.77Å; L45-K48 WeakPolarHBondContact O-CB 3.12Å; L45-K48 PolarHBondContact O-N 2.79Å; K48-F50 PolarHBondContact O-N 2.81Å; K48-R51 PolarHBondContact O-N 3.2Å; K48-W52 WeakPolarHBondContact O-CB 3.48Å; K48-W52 PolarHBondContact O-N 2.74Å
49	Q	69	Low	72.2	Confident	38 Å²	38	108.3 Å²	108.3	18%	0.178	47%	0.473	C	S	.	.	H	α-helix	trans	-60.2	-45.1	175.6	-77.6	-178.5	-15.5	0	0	111.6	L45 R46 W52 M53	L45-Q49 PolarHBondContact O-N 3.03Å; R46-Q49 PolarHBondContact O-N 2.99Å; Q49-W52 PolarHBondContact O-N 2.95Å; Q49-M53 PolarHBondContact O-N 3.41Å
50	F	74.2	Confident	72.1	Confident	113 Å²	113	106.3 Å²	106.3	50%	0.496	48%	0.475	S	S	.	.	H	α-helix	trans	-60.2	-47.1	177	-178.3	-100.9	0	0	0	112.3	R46 L47 K48 W52 M53 Q54	R46-F50 WeakPolarHBondContact O-CB 3.4Å; R46-F50 PolarHBondContact O-N 2.79Å; L47-F50 PolarHBondContact O-N 3.31Å; K48-F50 PolarHBondContact O-N 2.81Å; F50-W52 PolarHBondContact O-N 3.41Å; F50-M53 PolarHBondContact O-N 2.87Å; F50-Q54 HydrophobicContact CD1-CG 4.31Å; F50-Q54 HydrophobicContact CE1-CG 3.96Å; F50-Q54 HydrophobicContact CE2-CG 4.47Å; F50-Q54 HydrophobicContact CZ-CG 4.06Å; F50-Q54 VanDerWaalsContact CZ-NE2 3.31Å; F50-Q54 WeakPolarHBondContact O-CG 3.41Å; F50-Q54 PolarHBondContact O-N 3.35Å
51	R	78.8	Confident	71.6	Confident	175 Å²	175	106.4 Å²	106.4	66%	0.66	48%	0.475	S	S	*	.	H	α-helix	trans	-62.5	-41	177.2	-73.4	-179.1	-179.5	-166.9	0.4	112.6	L47 K48 Q54 K55	L47-R51 WeakPolarHBondContact O-CG 3.36Å; L47-R51 PolarHBondContact O-N 3.33Å; K48-R51 PolarHBondContact O-N 3.2Å; R51-Q54 PolarHBondContact O-N 3.04Å; R51-K55 WeakPolarHBondContact O-CB 3.47Å; R51-K55 PolarHBondContact O-N 3.06Å
52	W	75.3	Confident	71	Confident	140 Å²	140	110.3 Å²	110.3	53%	0.53	49%	0.486	S	S	.	.	H	α-helix	trans	-63.2	-43.5	176.8	-178.7	88.6	0	0	0	111.8	K48 Q49 F50 Q54 K55 K56	K48-W52 WeakPolarHBondContact O-CB 3.48Å; K48-W52 PolarHBondContact O-N 2.74Å; Q49-W52 PolarHBondContact O-N 2.95Å; F50-W52 PolarHBondContact O-N 3.41Å; W52-Q54 PolarHBondContact O-N 3.01Å; W52-K55 PolarHBondContact O-N 3.29Å; W52-K56 HydrophobicContact CD2-CG 4.05Å; W52-K56 HydrophobicContact CE3-CG 4.29Å; W52-K56 HydrophobicContact CH2-CG 4.07Å; W52-K56 HydrophobicContact CZ2-CD 4.16Å; W52-K56 HydrophobicContact CZ2-CG 3.81Å; W52-K56 HydrophobicContact CZ3-CG 4.3Å; W52-K56 WeakPolarHBondContact O-CG 3.42Å; W52-K56 PolarHBondContact O-N 2.73Å
53	M	72.7	Confident	70.2	Confident	107 Å²	107	111 Å²	111	53%	0.527	50%	0.501	S	S	.	.	H	α-helix	trans	-62.3	-42	175.3	-77.3	-169.9	-69.4	0	0	112.6	Q49 F50 K55 K56 R57	Q49-M53 PolarHBondContact O-N 3.41Å; F50-M53 PolarHBondContact O-N 2.87Å; M53-K55 VanDerWaalsContact C-N 3.35Å; M53-K56 PolarHBondContact O-N 2.83Å; M53-R57 WeakPolarHBondContact O-CB 3.44Å; M53-R57 PolarHBondContact O-N 2.83Å
54	Q	75.2	Confident	69.1	Low	82 Å²	82	109.7 Å²	109.7	38%	0.383	50%	0.503	S	S	.	.	H	α-helix	trans	-63.5	-41.7	175.6	-68	-66.1	-9.4	0	0	111.4	F50 R51 W52 R57 A58	F50-Q54 HydrophobicContact CD1-CG 4.31Å; F50-Q54 HydrophobicContact CE1-CG 3.96Å; F50-Q54 HydrophobicContact CE2-CG 4.47Å; F50-Q54 HydrophobicContact CZ-CG 4.06Å; F50-Q54 VanDerWaalsContact CZ-NE2 3.31Å; F50-Q54 WeakPolarHBondContact O-CG 3.41Å; F50-Q54 PolarHBondContact O-N 3.35Å; R51-Q54 PolarHBondContact O-N 3.04Å; W52-Q54 PolarHBondContact O-N 3.01Å; Q54-R57 PolarHBondContact O-N 2.8Å; Q54-A58 PolarHBondContact O-N 2.84Å
55	K	80.4	Confident	67.4	Low	131 Å²	131	108.8 Å²	108.8	57%	0.57	51%	0.506	S	S	*	.	H	α-helix	trans	-61.4	-46.9	175.3	-169.4	-174.6	-177	-164.4	0	111.7	R51 W52 M53 R57 A58 E59	R51-K55 WeakPolarHBondContact O-CB 3.47Å; R51-K55 PolarHBondContact O-N 3.06Å; W52-K55 PolarHBondContact O-N 3.29Å; M53-K55 VanDerWaalsContact C-N 3.35Å; K55-R57 VanDerWaalsContact C-N 3.33Å; K55-R57 PolarHBondContact O-N 3.42Å; K55-A58 PolarHBondContact O-N 2.78Å; K55-A58 VanDerWaalsContact O-N 3.17Å; K55-E59 WeakPolarHBondContact CE-OE1 3.37Å; K55-E59 HydrophobicContact CG-CG 4.49Å; K55-E59 IonicContact NZ-OE1 3.66Å; K55-E59 WeakPolarHBondContact O-CG 3.48Å; K55-E59 PolarHBondContact O-N 2.75Å
56	K	72.5	Confident	65.7	Low	95 Å²	95	110.9 Å²	110.9	41%	0.413	53%	0.534	S	S	.	.	H	α-helix	trans	-62.9	-37.6	178.1	-75.1	-73.8	164	-154.6	0	112.8	W52 M53 E59 S60	W52-K56 HydrophobicContact CD2-CG 4.05Å; W52-K56 HydrophobicContact CE3-CG 4.29Å; W52-K56 HydrophobicContact CH2-CG 4.07Å; W52-K56 HydrophobicContact CZ2-CD 4.16Å; W52-K56 HydrophobicContact CZ2-CG 3.81Å; W52-K56 HydrophobicContact CZ3-CG 4.3Å; W52-K56 WeakPolarHBondContact O-CG 3.42Å; W52-K56 PolarHBondContact O-N 2.73Å; M53-K56 PolarHBondContact O-N 2.83Å; K56-E59 WeakPolarHBondContact CD-OE2 2.95Å; K56-E59 WeakPolarHBondContact CE-OE2 3.19Å; K56-E59 IonicContact NZ-OE2 2.69Å; K56-E59 PolarHBondContact NZ-OE2 3.17Å; K56-E59 PolarHBondContact O-N 3.34Å; K56-S60 WeakPolarHBondContact O-CB 3.48Å; K56-S60 PolarHBondContact O-N 2.82Å
57	R	68.9	Low	64.2	Low	148 Å²	148	110.9 Å²	110.9	56%	0.558	54%	0.542	S	S	*	.	H	α-helix	trans	-63.2	-43.6	172.4	-174.6	179.5	-73.3	174.8	-4.1	111.7	M53 Q54 K55 S60 Q61	M53-R57 WeakPolarHBondContact O-CB 3.44Å; M53-R57 PolarHBondContact O-N 2.83Å; Q54-R57 PolarHBondContact O-N 2.8Å; K55-R57 VanDerWaalsContact C-N 3.33Å; K55-R57 PolarHBondContact O-N 3.42Å; R57-S60 PolarHBondContact O-N 2.78Å; R57-Q61 WeakPolarHBondContact O-CG 3.36Å; R57-Q61 PolarHBondContact O-N 2.78Å
58	A	69.2	Low	62.3	Low	29 Å²	29	114.8 Å²	114.8	24%	0.24	56%	0.557	C	S	.	*	H	α-helix	trans	-69.4	-34.2	177.4	0	0	0	0	0	113.1	Q54 K55 R62	Q54-A58 PolarHBondContact O-N 2.84Å; K55-A58 PolarHBondContact O-N 2.78Å; K55-A58 VanDerWaalsContact O-N 3.17Å; A58-R62 WeakPolarHBondContact O-CB 3.32Å; A58-R62 WeakPolarHBondContact O-CG 3.28Å; A58-R62 PolarHBondContact O-N 3.19Å
59	E	69.1	Low	60.2	Low	71 Å²	71	116 Å²	116	33%	0.332	57%	0.567	S	S	.	*	H	α-helix	trans	-65.1	-44.3	172.2	-74.3	170.7	-172.7	0	0	110.7	K55 K56 Q61 R62 G63	K55-E59 WeakPolarHBondContact CE-OE1 3.37Å; K55-E59 HydrophobicContact CG-CG 4.49Å; K55-E59 IonicContact NZ-OE1 3.66Å; K55-E59 WeakPolarHBondContact O-CG 3.48Å; K55-E59 PolarHBondContact O-N 2.75Å; K56-E59 WeakPolarHBondContact CD-OE2 2.95Å; K56-E59 WeakPolarHBondContact CE-OE2 3.19Å; K56-E59 IonicContact NZ-OE2 2.69Å; K56-E59 PolarHBondContact NZ-OE2 3.17Å; K56-E59 PolarHBondContact O-N 3.34Å; E59-Q61 VanDerWaalsContact C-N 3.31Å; E59-Q61 PolarHBondContact O-N 2.83Å; E59-R62 PolarHBondContact O-N 2.8Å; E59-G63 PolarHBondContact O-N 2.78Å
60	S	60	Low	58.5	Low	86 Å²	86	123.8 Å²	123.8	60%	0.601	60%	0.603	S	S	*	*	H	α-helix	trans	-64	-33.8	176.5	178.9	0	0	0	0	113.1	K56 R57 T64	K56-S60 WeakPolarHBondContact O-CB 3.48Å; K56-S60 PolarHBondContact O-N 2.82Å; R57-S60 PolarHBondContact O-N 2.78Å; S60-T64 PolarHBondContact O-OG1 3.17Å
61	Q	57.1	Low	56.7	Low	124 Å²	124	125 Å²	125	58%	0.579	61%	0.614	S	S	*	*	H	α-helix	trans	-75.5	-34.5	176.1	-74.1	177.5	-16.4	0	0	112.5	R57 E59 T64	R57-Q61 WeakPolarHBondContact O-CG 3.36Å; R57-Q61 PolarHBondContact O-N 2.78Å; E59-Q61 VanDerWaalsContact C-N 3.31Å; E59-Q61 PolarHBondContact O-N 2.83Å; Q61-T64 PolarHBondContact O-N 3.34Å; Q61-T64 PolarHBondContact O-OG1 2.85Å
62	R	53.4	Low	54.5	Low	184 Å²	184	120.8 Å²	120.8	69%	0.694	61%	0.611	S	S	*	*	H	α-helix	trans	-73.4	-25.8	175.7	-79.5	-173	-98.3	-159.5	-7.8	113.6	A58 E59 T64	A58-R62 WeakPolarHBondContact O-CB 3.32Å; A58-R62 WeakPolarHBondContact O-CG 3.28Å; A58-R62 PolarHBondContact O-N 3.19Å; E59-R62 PolarHBondContact O-N 2.8Å; R62-T64 VanDerWaalsContact C-N 3.29Å; R62-T64 PolarHBondContact O-N 3.16Å
63	G	47.9	Very low	52.5	Low	50 Å²	50	119.1 Å²	119.1	52%	0.515	63%	0.627	S	S	.	*	H	α-helix	trans	-69.6	-23.3	174.3	0	0	0	0	0	114.2	E59	E59-G63 PolarHBondContact O-N 2.78Å
64	T	48.9	Very low	50.9	Low	113 Å²	113	122.9 Å²	122.9	69%	0.693	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	-6.3	-179.1	32.4	0	0	0	0	115.1	S60 Q61 R62	S60-T64 PolarHBondContact O-OG1 3.17Å; Q61-T64 PolarHBondContact O-N 3.34Å; Q61-T64 PolarHBondContact O-OG1 2.85Å; R62-T64 VanDerWaalsContact C-N 3.29Å; R62-T64 PolarHBondContact O-N 3.16Å
65	E	40.5	Very low	49.1	Very low	160 Å²	160	126 Å²	126	75%	0.748	66%	0.659	S	S	*	*	S	Bend	trans	-102	-5.5	179.8	-70.6	-178.6	160.1	0	0	113.4
66	G	38.5	Very low	46.9	Very low	69 Å²	69	127.6 Å²	127.6	71%	0.711	67%	0.673	S	S	*	*	S	Bend	trans	-101.5	-12.7	-177.9	0	0	0	0	0	116.4
67	E	38.9	Very low	45	Very low	178 Å²	178	131.6 Å²	131.6	83%	0.832	69%	0.694	S	S	*	*			trans	-106	56.9	172.8	-76.9	-176.3	156.2	0	0	110.4	M69	E67-M69 PolarHBondContact O-N 2.62Å
68	Q	39.2	Very low	43.3	Very low	179 Å²	179	134.3 Å²	134.3	84%	0.836	71%	0.71	S	S	*	*			trans	-72.3	85.6	157.2	-84.4	-173.3	3.2	0	0	108	Q70	Q68-Q70 PolarHBondContact O-N 3.49Å
69	M	34.4	Very low	41.6	Very low	165 Å²	165	142 Å²	142	81%	0.813	74%	0.738	S	S	*	*			trans	-56.2	107.6	158.6	-98.7	-176.2	-173.6	0	0	107.9	E67 I71	E67-M69 PolarHBondContact O-N 2.62Å; M69-I71 VanDerWaalsContact C-N 3.29Å; M69-I71 HydrophobicContact CB-CG1 4.3Å; M69-I71 PolarHBondContact O-N 2.7Å
70	Q	34.6	Very low	39.7	Very low	201 Å²	201	146.6 Å²	146.6	94%	0.939	76%	0.764	S	S	*	*			trans	-56.9	93.9	160.2	-82.8	178.9	-19.8	0	0	108.4	Q68	Q68-Q70 PolarHBondContact O-N 3.49Å
71	I	35.6	Very low	38.4	Very low	138 Å²	138	149.4 Å²	149.4	71%	0.708	77%	0.772	S	S	*	*			trans	-105	106.6	162.2	-60.1	175.8	0	0	0	106	M69 A73	M69-I71 VanDerWaalsContact C-N 3.29Å; M69-I71 HydrophobicContact CB-CG1 4.3Å; M69-I71 PolarHBondContact O-N 2.7Å; I71-A73 PolarHBondContact O-N 3.03Å
72	S	33.1	Very low	37.2	Very low	87 Å²	87	148.7 Å²	148.7	61%	0.608	78%	0.776	S	S	*	*			trans	-47.8	123.9	177.1	176.4	0	0	0	0	111.3	K74	S72-K74 PolarHBondContact O-N 3.15Å
73	A	33.4	Very low	36.3	Very low	105 Å²	105	142.9 Å²	142.9	87%	0.868	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	29.1	-174.8	0	0	0	0	0	115	I71	I71-A73 PolarHBondContact O-N 3.03Å
74	K	39	Very low	35.8	Very low	186 Å²	186	147.9 Å²	147.9	81%	0.809	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.8	-1.4	-175.2	-74.4	-169.3	175.8	-178.5	0	117	S72	S72-K74 PolarHBondContact O-N 3.15Å
75	D	36	Very low	35.8	Very low	146 Å²	146	144.5 Å²	144.5	78%	0.781	77%	0.765	S	S	*	*			trans	-110.5	8.7	-174.7	-73.5	-32.7	0	0	0	116.9	Q77	D75-Q77 PolarHBondContact O-N 2.99Å
76	L	35.6	Very low	36.3	Very low	165 Å²	165	145.5 Å²	145.5	86%	0.864	77%	0.767	S	S	*	*			trans	-93.4	62.5	179.3	-76.6	159.8	0	0	0	112.2
77	Q	32.8	Very low	37.4	Very low	179 Å²	179	142.5 Å²	142.5	84%	0.836	74%	0.736	S	S	*	*	S	Bend	trans	-102.9	118.1	158.5	-71.6	-165.5	18.5	0	0	109.9	D75	D75-Q77 PolarHBondContact O-N 2.99Å
78	K	32.4	Very low	39	Very low	206 Å²	206	137.6 Å²	137.6	90%	0.896	71%	0.71	S	S	*	*	S	Bend	trans	38.3	83.1	157.6	-69.9	-179.6	175.9	177.7	0	116.4
79	K	33.5	Very low	40.7	Very low	191 Å²	191	134 Å²	134	83%	0.83	69%	0.693	S	S	*	*			trans	-142	127.4	147.5	-95.4	179.2	-178.4	172.5	0	109	L81	K79-L81 PolarHBondContact O-N 3.17Å
80	D	28.4	Very low	42.7	Very low	166 Å²	166	129.1 Å²	129.1	89%	0.888	67%	0.673	S	S	*	*			trans	-47.6	99.6	170.1	-68.8	-57.7	0	0	0	110.4	V82	D80-V82 PolarHBondContact O-N 3.37Å; D80-V82 VanDerWaalsContact O-N 3.08Å
81	L	32.6	Very low	44.9	Very low	146 Å²	146	123.5 Å²	123.5	76%	0.764	65%	0.646	S	S	*	*			trans	-81.2	93.7	172.3	-83.4	158.8	0	0	0	107.7	K79 C83	K79-L81 PolarHBondContact O-N 3.17Å; L81-C83 PolarHBondContact O-N 3.43Å
82	V	33.3	Very low	46.9	Very low	108 Å²	108	121.4 Å²	121.4	66%	0.655	63%	0.633	S	S	*	*			trans	-46.2	93.9	150.3	178.1	0	0	0	0	107.1	D80 N84	D80-V82 PolarHBondContact O-N 3.37Å; D80-V82 VanDerWaalsContact O-N 3.08Å; V82-N84 WeakPolarHBondContact CG1-OD1 3.39Å; V82-N84 PolarHBondContact O-N 2.98Å
83	C	33.8	Very low	49.1	Very low	62 Å²	62	123.1 Å²	123.1	42%	0.419	63%	0.626	S	S	.	*			trans	-74.9	84.8	176.4	-150.4	0	0	0	0	107.3	L81 G85	L81-C83 PolarHBondContact O-N 3.43Å; C83-G85 PolarHBondContact O-N 3.45Å
84	N	37.8	Very low	51.1	Low	155 Å²	155	121 Å²	121	83%	0.829	61%	0.606	S	S	*	*			trans	-78.2	16	168.1	-87.7	-5.7	0	0	0	112.1	V82	V82-N84 WeakPolarHBondContact CG1-OD1 3.39Å; V82-N84 PolarHBondContact O-N 2.98Å
85	G	47.8	Very low	52.8	Low	42 Å²	42	115.9 Å²	115.9	43%	0.433	59%	0.59	S	S	.	*	S	Bend	trans	-82.6	143.7	170.4	0	0	0	0	0	110.8	C83 C87	C83-G85 PolarHBondContact O-N 3.45Å; G85-C87 PolarHBondContact O-N 3.41Å
86	F	51.1	Low	54.6	Low	182 Å²	182	113.6 Å²	113.6	80%	0.798	58%	0.576	S	S	*	*			trans	-45.6	117	175.3	-72.1	-86.8	0	0	0	110.4	Y88	F86-Y88 PolarHBondContact O-N 3.09Å
87	C	62.5	Low	56.5	Low	6 Å²	6	113.1 Å²	113.1	4%	0.041	57%	0.567	C	S	.	*	S	Bend	trans	-77.4	-1.7	-178	-63.7	0	0	0	0	112.5	G85 H106 R137 Y139	G85-C87 PolarHBondContact O-N 3.41Å; C87-H106 PolarHBondContact O-N 2.9Å; C87-R137 PolarHBondContact SG-NH1 2.92Å; C87-Y139 HydrophobicContact CB-CE2 3.93Å; C87-Y139 PolarHBondContact SG-OH 3.23Å
88	Y	71.6	Confident	58.8	Low	74 Å²	74	105.8 Å²	105.8	29%	0.29	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	153.8	-176.8	65.4	-91.1	0	0	0	112.9	F86 V90 K104 Y139 W141	F86-Y88 PolarHBondContact O-N 3.09Å; Y88-V90 HydrophobicContact CD2-CG2 3.91Å; Y88-V90 HydrophobicContact CE2-CG2 4.2Å; Y88-K104 CarbonylContact C-O 3.59Å; Y88-K104 WeakPolarHBondContact CA-O 3.47Å; Y88-K104 WeakPolarHBondContact CB-O 3.4Å; Y88-Y139 HydrophobicContact CD1-CD1 4.18Å; Y88-Y139 HydrophobicContact CD1-CE1 4.09Å; Y88-Y139 HydrophobicContact CD1-CG 4.47Å; Y88-Y139 AromaticContact CE1-CD1 3.85Å; Y88-Y139 HydrophobicContact CE1-CD1 3.85Å; Y88-Y139 AromaticContact CE1-CE1 3.75Å; Y88-Y139 HydrophobicContact CE1-CE1 3.75Å; Y88-W141 AromaticContact CD1-CZ2 3.7Å; Y88-W141 HydrophobicContact CD1-CZ2 3.7Å; Y88-W141 AromaticContact CD2-CZ2 3.75Å; Y88-W141 HydrophobicContact CD2-CZ2 3.75Å; Y88-W141 AromaticContact CD2-NE1 3.82Å; Y88-W141 HydrophobicContact CE1-CZ2 4.04Å; Y88-W141 HydrophobicContact CE2-CZ2 4.09Å; Y88-W141 AromaticContact CE2-NE1 3.54Å; Y88-W141 HydrophobicContact CG-CH2 4.43Å; Y88-W141 AromaticContact CG-CZ2 3.54Å; Y88-W141 HydrophobicContact CG-CZ2 3.54Å; Y88-W141 AromaticContact CZ-NE1 4Å
89	E	76.3	Confident	61.3	Low	104 Å²	104	96 Å²	96	49%	0.486	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	133.8	166.7	-65.9	176.7	-173.1	0	0	107.9	I103 K104	E89-I103 CarbonylContact O-C 3.58Å; E89-I103 VanDerWaalsContact O-CA 3.26Å; E89-I103 WeakPolarHBondContact O-CA 3.47Å; E89-K104 HydrophobicContact CB-CB 4.16Å; E89-K104 HydrophobicContact CB-CD 4.32Å; E89-K104 HydrophobicContact CB-CG 4.47Å; E89-K104 PolarHBondContact N-O 3.31Å; E89-K104 VanDerWaalsContact N-O 3.09Å; E89-K104 PolarHBondContact O-N 3.4Å; E89-K104 WeakPolarHBondContact OE2-CD 3.09Å; E89-K104 WeakPolarHBondContact OE2-CE 3.38Å; E89-K104 IonicContact OE2-NZ 2.7Å; E89-K104 PolarHBondContact OE2-NZ 3.42Å
90	V	76.6	Confident	63.9	Low	63 Å²	63	91 Å²	91	38%	0.382	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	128.5	175.4	-173.8	0	0	0	0	108.6	Y88 V101 Q102 I103 F143	Y88-V90 HydrophobicContact CD2-CG2 3.91Å; Y88-V90 HydrophobicContact CE2-CG2 4.2Å; V90-V101 HydrophobicContact CG1-CG1 4.2Å; V90-Q102 CarbonylContact C-O 3.53Å; V90-Q102 WeakPolarHBondContact CA-O 3.43Å; V90-I103 HydrophobicContact CG1-CG1 4.48Å; V90-I103 HydrophobicContact CG2-CG2 4.2Å; V90-F143 HydrophobicContact CG1-CE1 3.61Å; V90-F143 HydrophobicContact CG1-CZ 3.76Å
91	E	78.7	Confident	66.7	Low	82 Å²	82	83 Å²	83	38%	0.383	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	120.2	171.7	-174.6	176.5	-163.5	0	0	109.8	R93 Q102	E91-R93 HydrophobicContact CG-CG 4.17Å; E91-R93 IonicContact OE1-CZ 2.74Å; E91-R93 IonicContact OE1-NE 2.62Å; E91-R93 PolarHBondContact OE1-NE 2.78Å; E91-R93 IonicContact OE1-NH2 3.03Å; E91-R93 PolarHBondContact OE1-NH2 3.47Å; E91-R93 IonicContact OE2-CZ 3.98Å; E91-R93 IonicContact OE2-NE 2.85Å; E91-R93 PolarHBondContact OE2-NE 3.1Å; E91-R93 IonicContact OE2-NH2 3.37Å; E91-R93 PolarHBondContact OE2-NH2 3.33Å; E91-Q102 HydrophobicContact CB-CB 4.39Å; E91-Q102 PolarHBondContact N-O 2.67Å; E91-Q102 PolarHBondContact O-N 2.69Å
92	E	79.3	Confident	69.4	Low	95 Å²	95	77.7 Å²	77.7	44%	0.444	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	131.1	172.6	-174.5	175.9	167.5	0	0	109.9	W99 V101	E92-W99 PolarHBondContact OE1-NE1 2.83Å; E92-V101 HydrophobicContact CB-CG2 4.47Å; E92-V101 HydrophobicContact CG-CG2 4.12Å
93	R	78.6	Confident	72	Confident	122 Å²	122	72.5 Å²	72.5	46%	0.46	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	132	175.6	-66.6	-169.7	-179.5	164.3	10.6	110	E91 R100	E91-R93 HydrophobicContact CG-CG 4.17Å; E91-R93 IonicContact OE1-CZ 2.74Å; E91-R93 IonicContact OE1-NE 2.62Å; E91-R93 PolarHBondContact OE1-NE 2.78Å; E91-R93 IonicContact OE1-NH2 3.03Å; E91-R93 PolarHBondContact OE1-NH2 3.47Å; E91-R93 IonicContact OE2-CZ 3.98Å; E91-R93 IonicContact OE2-NE 2.85Å; E91-R93 PolarHBondContact OE2-NE 3.1Å; E91-R93 IonicContact OE2-NH2 3.37Å; E91-R93 PolarHBondContact OE2-NH2 3.33Å; R93-R100 PolarHBondContact N-O 2.86Å; R93-R100 CarbonylContact O-C 3.5Å; R93-R100 WeakPolarHBondContact O-CA 3.3Å; R93-R100 WeakPolarHBondContact O-CB 3.4Å; R93-R100 PolarHBondContact O-N 2.83Å
94	S	75	Confident	74.7	Confident	62 Å²	62	73.4 Å²	73.4	43%	0.434	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	136.1	168.5	55.2	0	0	0	0	110.8
95	T	75.9	Confident	77	Confident	77 Å²	77	66 Å²	66	47%	0.472	32%	0.322	S	S	.	.			trans	-111.3	172.5	165	68.5	0	0	0	0	109.3	K97 V98 W148	T95-K97 PolarHBondContact O-N 2.86Å; T95-K97 PolarHBondContact OG1-N 3Å; T95-V98 PolarHBondContact N-O 2.81Å; T95-V98 VanDerWaalsContact OG1-CG1 3.27Å; T95-V98 WeakPolarHBondContact OG1-CG1 3.35Å; T95-V98 PolarHBondContact OG1-N 2.78Å; T95-V98 VanDerWaalsContact OG1-N 3.08Å; T95-V98 PolarHBondContact OG1-O 2.78Å; T95-V98 VanDerWaalsContact OG1-O 3.05Å; T95-W148 WeakPolarHBondContact O-CH2 3.48Å
96	M	72	Confident	78.7	Confident	98 Å²	98	67.1 Å²	67.1	48%	0.483	32%	0.316	S	S	.	.	S	Bend	trans	-59.6	-16.8	174.4	-66.2	-179.6	73.8	0	0	114.4	W24 Y27	W24-M96 HydrophobicContact CH2-CG 4.05Å; W24-M96 HydrophobicContact CH2-SD 4.3Å; Y27-M96 HydrophobicContact CE1-CE 4.01Å; Y27-M96 HydrophobicContact CE1-SD 4.23Å; Y27-M96 WeakPolarHBondContact OH-CE 3.45Å
97	K	76.7	Confident	80.2	Confident	155 Å²	155	62.8 Å²	62.8	67%	0.674	30%	0.298	S	S	*	.	S	Bend	trans	-112.5	-31.2	-173.7	-65.8	-172.9	176.4	-171.1	0	114	T95 K171	T95-K97 PolarHBondContact O-N 2.86Å; T95-K97 PolarHBondContact OG1-N 3Å; K97-K171 PolarHBondContact O-N 2.84Å
98	V	81.4	Confident	81.4	Confident	25 Å²	25	62.6 Å²	62.6	15%	0.152	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	136.2	-170.5	66	0	0	0	0	110.2	T95 E168 A169	T95-V98 PolarHBondContact N-O 2.81Å; T95-V98 VanDerWaalsContact OG1-CG1 3.27Å; T95-V98 WeakPolarHBondContact OG1-CG1 3.35Å; T95-V98 PolarHBondContact OG1-N 2.78Å; T95-V98 VanDerWaalsContact OG1-N 3.08Å; T95-V98 PolarHBondContact OG1-O 2.78Å; T95-V98 VanDerWaalsContact OG1-O 3.05Å; V98-E168 HydrophobicContact CG2-CB 3.79Å; V98-E168 HydrophobicContact CG2-CG 4.19Å; V98-A169 WeakPolarHBondContact CA-O 3.4Å; V98-A169 WeakPolarHBondContact CG2-O 3.2Å
99	W	84.8	Confident	82.1	Confident	0 Å²	0	64 Å²	64	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	131.4	164.7	171	79	0	0	0	108.1	E92 V101 F143 P145 Y146 W148 A149 I167 E168 A169	E92-W99 PolarHBondContact OE1-NE1 2.83Å; W99-V101 HydrophobicContact CD2-CG2 4.49Å; W99-V101 HydrophobicContact CH2-CB 4.49Å; W99-V101 HydrophobicContact CH2-CG2 3.51Å; W99-V101 HydrophobicContact CZ2-CG2 3.23Å; W99-V101 HydrophobicContact CZ3-CG2 4.21Å; W99-F143 HydrophobicContact CH2-CB 3.53Å; W99-F143 HydrophobicContact CH2-CG 4.45Å; W99-F143 HydrophobicContact CZ2-CB 3.75Å; W99-P145 HydrophobicContact CD2-CB 3.85Å; W99-P145 HydrophobicContact CD2-CG 4.35Å; W99-P145 HydrophobicContact CE3-CB 3.89Å; W99-P145 HydrophobicContact CE3-CG 3.97Å; W99-P145 HydrophobicContact CG-CB 4.33Å; W99-P145 HydrophobicContact CH2-CB 4.37Å; W99-P145 HydrophobicContact CH2-CG 3.9Å; W99-P145 HydrophobicContact CZ2-CB 4.36Å; W99-P145 HydrophobicContact CZ2-CG 4.31Å; W99-P145 HydrophobicContact CZ3-CB 4.16Å; W99-P145 HydrophobicContact CZ3-CG 3.74Å; W99-Y146 AromaticContact CD1-CD2 3.55Å; W99-Y146 AromaticContact CD1-CE2 3.82Å; W99-Y146 HydrophobicContact CG-CD2 4.39Å; W99-W148 HydrophobicContact CB-CH2 3.69Å; W99-W148 HydrophobicContact CB-CZ2 4.39Å; W99-W148 HydrophobicContact CB-CZ3 4.12Å; W99-A149 HydrophobicContact CB-CB 3.89Å; W99-I167 HydrophobicContact CZ3-CG2 4.06Å; W99-E168 CarbonylContact O-C 3.51Å; W99-E168 VanDerWaalsContact O-CA 3.26Å; W99-E168 WeakPolarHBondContact O-CA 3.22Å; W99-A169 HydrophobicContact CB-CB 4.49Å; W99-A169 HydrophobicContact CE3-CB 3.64Å; W99-A169 HydrophobicContact CZ3-CB 4.3Å; W99-A169 PolarHBondContact N-O 2.82Å; W99-A169 PolarHBondContact O-N 2.88Å
100	R	87.7	Confident	82.7	Confident	86 Å²	86	63.9 Å²	63.9	33%	0.325	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	132.2	-174.3	178.2	-179.7	-69.3	170.7	-1.2	110.4	R93 Q102 I166 I167 E168	R93-R100 PolarHBondContact N-O 2.86Å; R93-R100 CarbonylContact O-C 3.5Å; R93-R100 WeakPolarHBondContact O-CA 3.3Å; R93-R100 WeakPolarHBondContact O-CB 3.4Å; R93-R100 PolarHBondContact O-N 2.83Å; R100-Q102 HydrophobicContact CG-CG 4.01Å; R100-I166 HydrophobicContact CG-CG2 4.06Å; R100-I167 CarbonylContact C-O 3.57Å; R100-I167 VanDerWaalsContact CA-O 3.25Å; R100-I167 WeakPolarHBondContact CA-O 3.33Å; R100-E168 HydrophobicContact CB-CG 4.12Å; R100-E168 HydrophobicContact CG-CG 3.93Å; R100-E168 IonicContact CZ-OE1 2.97Å; R100-E168 IonicContact CZ-OE2 3.98Å; R100-E168 VanDerWaalsContact NE-CD 3.3Å; R100-E168 IonicContact NE-OE1 2.69Å; R100-E168 PolarHBondContact NE-OE1 3.42Å; R100-E168 IonicContact NE-OE2 3.88Å; R100-E168 VanDerWaalsContact NH2-CD 3.25Å; R100-E168 IonicContact NH2-OE1 2.67Å; R100-E168 PolarHBondContact NH2-OE1 2.71Å; R100-E168 IonicContact NH2-OE2 3.2Å; R100-E168 PolarHBondContact NH2-OE2 3.21Å
101	V	86.5	Confident	83.4	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	136.5	167.2	176.1	0	0	0	0	108.5	V90 E92 W99 I103 F143 I166 I167	V90-V101 HydrophobicContact CG1-CG1 4.2Å; E92-V101 HydrophobicContact CB-CG2 4.47Å; E92-V101 HydrophobicContact CG-CG2 4.12Å; W99-V101 HydrophobicContact CD2-CG2 4.49Å; W99-V101 HydrophobicContact CH2-CB 4.49Å; W99-V101 HydrophobicContact CH2-CG2 3.51Å; W99-V101 HydrophobicContact CZ2-CG2 3.23Å; W99-V101 HydrophobicContact CZ3-CG2 4.21Å; V101-I103 HydrophobicContact CG1-CD1 4.34Å; V101-I103 HydrophobicContact CG1-CG1 3.91Å; V101-F143 HydrophobicContact CG1-CD1 3.87Å; V101-F143 HydrophobicContact CG1-CD2 4.19Å; V101-F143 HydrophobicContact CG1-CE1 3.6Å; V101-F143 HydrophobicContact CG1-CE2 3.93Å; V101-F143 HydrophobicContact CG1-CG 4.16Å; V101-F143 HydrophobicContact CG1-CZ 3.63Å; V101-F143 HydrophobicContact CG2-CB 4.34Å; V101-F143 HydrophobicContact CG2-CD1 3.9Å; V101-F143 HydrophobicContact CG2-CE1 4.42Å; V101-F143 HydrophobicContact CG2-CG 4.07Å; V101-I166 CarbonylContact O-C 3.46Å; V101-I166 WeakPolarHBondContact O-CA 3.39Å; V101-I167 HydrophobicContact CB-CB 4.36Å; V101-I167 PolarHBondContact N-O 3.05Å; V101-I167 PolarHBondContact O-N 3.16Å
102	Q	89.9	Confident	83.9	Confident	33 Å²	33	65.6 Å²	65.6	15%	0.154	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	126.4	177.3	-64.3	-161.3	-46.8	0	0	108.4	V90 E91 R100 L164 L165 I166	V90-Q102 CarbonylContact C-O 3.53Å; V90-Q102 WeakPolarHBondContact CA-O 3.43Å; E91-Q102 HydrophobicContact CB-CB 4.39Å; E91-Q102 PolarHBondContact N-O 2.67Å; E91-Q102 PolarHBondContact O-N 2.69Å; R100-Q102 HydrophobicContact CG-CG 4.01Å; Q102-L164 HydrophobicContact CB-CD1 4.14Å; Q102-L165 CarbonylContact C-O 3.48Å; Q102-L165 WeakPolarHBondContact CA-O 3.31Å; Q102-I166 HydrophobicContact CG-CG1 4.32Å; Q102-I166 HydrophobicContact CG-CG2 4.5Å
103	I	88.2	Confident	84.5	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	112.5	179.8	-44.4	177.7	0	0	0	108	E89 V90 V101 L105 V124 F143 L165	E89-I103 CarbonylContact O-C 3.58Å; E89-I103 VanDerWaalsContact O-CA 3.26Å; E89-I103 WeakPolarHBondContact O-CA 3.47Å; V90-I103 HydrophobicContact CG1-CG1 4.48Å; V90-I103 HydrophobicContact CG2-CG2 4.2Å; V101-I103 HydrophobicContact CG1-CD1 4.34Å; V101-I103 HydrophobicContact CG1-CG1 3.91Å; I103-L105 HydrophobicContact CB-CG 4.43Å; I103-L105 HydrophobicContact CG2-CD1 4.43Å; I103-L105 HydrophobicContact CG2-CD2 3.56Å; I103-L105 HydrophobicContact CG2-CG 3.77Å; I103-V124 HydrophobicContact CD1-CB 4.39Å; I103-V124 HydrophobicContact CD1-CG1 4.2Å; I103-V124 HydrophobicContact CD1-CG2 4.11Å; I103-F143 HydrophobicContact CD1-CE2 3.42Å; I103-F143 VanDerWaalsContact CD1-CE2 3.42Å; I103-F143 HydrophobicContact CD1-CZ 3.61Å; I103-F143 HydrophobicContact CG1-CE2 4.36Å; I103-F143 HydrophobicContact CG1-CZ 4.17Å; I103-L165 HydrophobicContact CB-CB 4.29Å; I103-L165 HydrophobicContact CD1-CD2 4.19Å; I103-L165 PolarHBondContact N-O 2.87Å; I103-L165 PolarHBondContact O-N 2.98Å
104	K	90.2	Very high	85.2	Confident	81 Å²	81	60.6 Å²	60.6	35%	0.352	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	128.2	165.2	-65	-177.9	-165.8	159.6	0	107.7	Y88 E89 H163 L164	Y88-K104 CarbonylContact C-O 3.59Å; Y88-K104 WeakPolarHBondContact CA-O 3.47Å; Y88-K104 WeakPolarHBondContact CB-O 3.4Å; E89-K104 HydrophobicContact CB-CB 4.16Å; E89-K104 HydrophobicContact CB-CD 4.32Å; E89-K104 HydrophobicContact CB-CG 4.47Å; E89-K104 PolarHBondContact N-O 3.31Å; E89-K104 VanDerWaalsContact N-O 3.09Å; E89-K104 PolarHBondContact O-N 3.4Å; E89-K104 WeakPolarHBondContact OE2-CD 3.09Å; E89-K104 WeakPolarHBondContact OE2-CE 3.38Å; E89-K104 IonicContact OE2-NZ 2.7Å; E89-K104 PolarHBondContact OE2-NZ 3.42Å; K104-H163 CarbonylContact C-O 3.5Å; K104-H163 VanDerWaalsContact CA-O 3.27Å; K104-H163 WeakPolarHBondContact CA-O 3.49Å; K104-L164 HydrophobicContact CG-CD1 3.6Å
105	L	86.8	Confident	86	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	78.8	-178.3	-66.7	175.1	0	0	0	109.1	I103 H107 F108 I113 A126 W141 W158 H163 L165	I103-L105 HydrophobicContact CB-CG 4.43Å; I103-L105 HydrophobicContact CG2-CD1 4.43Å; I103-L105 HydrophobicContact CG2-CD2 3.56Å; I103-L105 HydrophobicContact CG2-CG 3.77Å; L105-H107 PolarHBondContact O-N 2.87Å; L105-F108 HydrophobicContact CB-CB 4.06Å; L105-F108 HydrophobicContact CB-CD2 4.05Å; L105-F108 HydrophobicContact CB-CG 4.39Å; L105-F108 PolarHBondContact O-N 3.27Å; L105-I113 HydrophobicContact CD1-CD1 3.56Å; L105-I113 HydrophobicContact CD1-CG1 3.89Å; L105-A126 HydrophobicContact CD1-CB 4.29Å; L105-W141 HydrophobicContact CD2-CH2 3.23Å; L105-W141 HydrophobicContact CD2-CZ2 3.98Å; L105-W141 HydrophobicContact CD2-CZ3 3.78Å; L105-W158 HydrophobicContact CB-CH2 4.4Å; L105-W158 HydrophobicContact CB-CZ3 4.38Å; L105-W158 HydrophobicContact CD1-CZ3 4.5Å; L105-H163 PolarHBondContact N-O 3.28Å; L105-L165 HydrophobicContact CD1-CB 4.43Å
106	H	82.8	Confident	86.7	Confident	65 Å²	65	58.6 Å²	58.6	30%	0.301	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	130.7	177.9	-61.8	-77.2	0	0	0	108.8	C87	C87-H106 PolarHBondContact O-N 2.9Å
107	H	83.5	Confident	87.4	Confident	91 Å²	91	57.3 Å²	57.3	42%	0.421	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.5	6	-177.9	-42.7	-71.4	0	0	0	117.8	L105 K128	L105-H107 PolarHBondContact O-N 2.87Å; H107-K128 WeakPolarHBondContact O-CD 3.44Å; H107-K128 PolarHBondContact O-NZ 3.04Å
108	F	86.6	Confident	87.8	Confident	2 Å²	2	53.8 Å²	53.8	1%	0.009	27%	0.266	C	S	.	.			trans	-103.9	145.5	171.6	-69.5	-90.5	0	0	0	111.8	L105 D112 I113 A126 K128 R137 Y139	L105-F108 HydrophobicContact CB-CB 4.06Å; L105-F108 HydrophobicContact CB-CD2 4.05Å; L105-F108 HydrophobicContact CB-CG 4.39Å; L105-F108 PolarHBondContact O-N 3.27Å; F108-D112 HydrophobicContact CB-CB 4.5Å; F108-D112 HydrophobicContact CD1-CB 3.77Å; F108-I113 HydrophobicContact CB-CD1 4.19Å; F108-I113 HydrophobicContact CB-CG1 4.25Å; F108-A126 HydrophobicContact CD1-CB 3.75Å; F108-A126 HydrophobicContact CE1-CB 3.7Å; F108-A126 WeakPolarHBondContact CE1-O 3.5Å; F108-A126 HydrophobicContact CG-CB 4.19Å; F108-A126 HydrophobicContact CZ-CB 4.11Å; F108-K128 HydrophobicContact CD1-CB 4.25Å; F108-K128 HydrophobicContact CE1-CB 3.84Å; F108-R137 HydrophobicContact CZ-CB 4.07Å; F108-Y139 AromaticContact CE2-CD2 3.61Å; F108-Y139 HydrophobicContact CE2-CD2 3.61Å; F108-Y139 AromaticContact CE2-CE2 3.72Å; F108-Y139 HydrophobicContact CE2-CE2 3.72Å; F108-Y139 AromaticContact CZ-CD2 3.52Å; F108-Y139 HydrophobicContact CZ-CD2 3.52Å; F108-Y139 AromaticContact CZ-CE2 3.83Å; F108-Y139 HydrophobicContact CZ-CE2 3.83Å
109	E	86.7	Confident	87.8	Confident	102 Å²	102	55 Å²	55	48%	0.477	28%	0.284	S	S	.	.			trans	-102	164.4	167.4	-68.7	175.8	-163.1	0	0	110.3	K111 D112	E109-K111 HydrophobicContact CB-CG 4.16Å; E109-K111 PolarHBondContact O-N 2.7Å; E109-K111 VanDerWaalsContact O-N 3.17Å; E109-K111 IonicContact OE1-NZ 3.33Å; E109-K111 WeakPolarHBondContact OE2-CE 3.37Å; E109-K111 IonicContact OE2-NZ 2.69Å; E109-K111 PolarHBondContact OE2-NZ 3.22Å; E109-D112 PolarHBondContact N-OD2 3.26Å; E109-D112 WeakPolarHBondContact O-CB 3.35Å; E109-D112 PolarHBondContact O-N 2.98Å
110	L	88.8	Confident	87.9	Confident	103 Å²	103	63 Å²	63	54%	0.539	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-55.3	-36.6	179.2	-179.7	58.8	0	0	0	112.6	D112 I113 W158	L110-D112 PolarHBondContact O-N 3.32Å; L110-I113 PolarHBondContact O-N 3.49Å; L110-I113 VanDerWaalsContact O-N 3.13Å; L110-W158 HydrophobicContact CB-CG 4.28Å; L110-W158 HydrophobicContact CD1-CB 3.76Å; L110-W158 HydrophobicContact CD1-CG 3.91Å
111	K	90.7	Very high	88.1	Confident	157 Å²	157	62.3 Å²	62.3	68%	0.683	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-64.5	-22.9	178.7	75.4	-167.5	-174	-155.9	0	113.6	E109 I113	E109-K111 HydrophobicContact CB-CG 4.16Å; E109-K111 PolarHBondContact O-N 2.7Å; E109-K111 VanDerWaalsContact O-N 3.17Å; E109-K111 IonicContact OE1-NZ 3.33Å; E109-K111 WeakPolarHBondContact OE2-CE 3.37Å; E109-K111 IonicContact OE2-NZ 2.69Å; E109-K111 PolarHBondContact OE2-NZ 3.22Å; K111-I113 VanDerWaalsContact C-N 3.31Å
112	D	90.7	Very high	88.2	Confident	24 Å²	24	62.3 Å²	62.3	13%	0.128	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-87.4	-7.8	-179.2	-54.5	-37	0	0	0	110.9	F108 E109 L110 A126 E127	F108-D112 HydrophobicContact CB-CB 4.5Å; F108-D112 HydrophobicContact CD1-CB 3.77Å; E109-D112 PolarHBondContact N-OD2 3.26Å; E109-D112 WeakPolarHBondContact O-CB 3.35Å; E109-D112 PolarHBondContact O-N 2.98Å; L110-D112 PolarHBondContact O-N 3.32Å; D112-A126 CarbonylContact O-C 3.59Å; D112-A126 VanDerWaalsContact O-CA 3.27Å; D112-A126 WeakPolarHBondContact O-CA 3.43Å; D112-E127 WeakPolarHBondContact CB-O 3.43Å; D112-E127 PolarHBondContact O-N 2.84Å
113	I	91.8	Very high	88.3	Confident	21 Å²	21	62 Å²	62	11%	0.108	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	126.8	-171.1	-58.6	162.2	0	0	0	109.7	L105 F108 L110 K111 V115 V124 T125 A126 W158 L165	L105-I113 HydrophobicContact CD1-CD1 3.56Å; L105-I113 HydrophobicContact CD1-CG1 3.89Å; F108-I113 HydrophobicContact CB-CD1 4.19Å; F108-I113 HydrophobicContact CB-CG1 4.25Å; L110-I113 PolarHBondContact O-N 3.49Å; L110-I113 VanDerWaalsContact O-N 3.13Å; K111-I113 VanDerWaalsContact C-N 3.31Å; I113-V115 HydrophobicContact CG2-CG2 4.24Å; I113-V124 HydrophobicContact CG2-CG1 4.4Å; I113-T125 CarbonylContact C-O 3.56Å; I113-T125 WeakPolarHBondContact CA-O 3.38Å; I113-A126 HydrophobicContact CG1-CB 4.21Å; I113-W158 HydrophobicContact CD1-CD2 4.41Å; I113-W158 HydrophobicContact CD1-CE3 3.85Å; I113-W158 HydrophobicContact CD1-CH2 3.84Å; I113-W158 HydrophobicContact CD1-CZ2 4.39Å; I113-W158 HydrophobicContact CD1-CZ3 3.55Å; I113-L165 HydrophobicContact CG2-CD1 4.33Å; I113-L165 HydrophobicContact CG2-CD2 4.04Å
114	N	92.9	Very high	88.4	Confident	91 Å²	91	62 Å²	62	49%	0.487	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	131.6	172.5	178.2	36.5	0	0	0	110	T125	N114-T125 WeakPolarHBondContact CB-OG1 3.41Å; N114-T125 PolarHBondContact N-O 2.73Å; N114-T125 PolarHBondContact O-N 3.33Å; N114-T125 PolarHBondContact O-OG1 3.36Å
115	V	90.9	Very high	88.5	Confident	34 Å²	34	60.3 Å²	60.3	21%	0.206	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	121.3	177.7	-174.8	0	0	0	0	108.3	I113 V123 V124 L154 V156 L165 I167	I113-V115 HydrophobicContact CG2-CG2 4.24Å; V115-V123 CarbonylContact C-O 3.59Å; V115-V123 WeakPolarHBondContact CA-O 3.46Å; V115-V124 HydrophobicContact CG1-CG2 4.3Å; V115-V124 HydrophobicContact CG2-CG1 4.29Å; V115-V124 HydrophobicContact CG2-CG2 4.27Å; V115-L154 HydrophobicContact CG1-CD2 4.43Å; V115-V156 HydrophobicContact CB-CG1 4.41Å; V115-V156 HydrophobicContact CB-CG2 4.07Å; V115-V156 HydrophobicContact CG1-CG2 3.75Å; V115-V156 HydrophobicContact CG2-CG1 3.98Å; V115-V156 HydrophobicContact CG2-CG2 4.47Å; V115-L165 HydrophobicContact CG2-CD1 4.34Å; V115-L165 HydrophobicContact CG2-CD2 3.94Å; V115-I167 HydrophobicContact CG1-CD1 4.05Å
116	T	90.6	Very high	88.7	Confident	63 Å²	63	60.3 Å²	60.3	39%	0.387	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	169.8	-179.7	57.1	0	0	0	0	110.2	A122 V123	T116-A122 CarbonylContact O-C 3.56Å; T116-V123 PolarHBondContact N-O 3.23Å; T116-V123 PolarHBondContact O-N 3.42Å
117	T	87.6	Confident	89.1	Confident	71 Å²	71	60.6 Å²	60.6	44%	0.436	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	141	175.1	174.1	0	0	0	0	109.4	G119 K121 I151	T117-G119 PolarHBondContact OG1-N 3.01Å; T117-G119 VanDerWaalsContact OG1-N 3.1Å; T117-K121 WeakPolarHBondContact CA-O 3.4Å; T117-K121 PolarHBondContact OG1-O 3.38Å; T117-I151 VanDerWaalsContact OG1-CG1 3.29Å; T117-I151 WeakPolarHBondContact OG1-CG1 3.46Å
118	D	85.1	Confident	89.4	Confident	81 Å²	81	59.7 Å²	59.7	43%	0.433	31%	0.311	S	S	.	.			trans	-97.7	12.5	171.1	72.6	0.4	0	0	0	112.4	K120 K121	D118-K120 PolarHBondContact O-N 3.47Å; D118-K120 WeakPolarHBondContact OD1-CA 3.29Å; D118-K120 WeakPolarHBondContact OD1-CB 3.2Å; D118-K120 PolarHBondContact OD1-N 2.94Å; D118-K121 PolarHBondContact N-O 3.35Å; D118-K121 WeakPolarHBondContact OD1-CG 3.41Å; D118-K121 PolarHBondContact OD1-N 2.94Å; D118-K121 WeakPolarHBondContact OD2-CD 3.32Å; D118-K121 WeakPolarHBondContact OD2-CE 3.37Å; D118-K121 WeakPolarHBondContact OD2-CG 3.48Å; D118-K121 IonicContact OD2-NZ 3.4Å; D118-K121 PolarHBondContact OD2-NZ 3.12Å
119	G	82.1	Confident	89.6	Confident	50 Å²	50	65.2 Å²	65.2	52%	0.515	34%	0.335	S	S	.	.	S	Bend	trans	80	-8.8	-174	0	0	0	0	0	114.4	T117 I151	T117-G119 PolarHBondContact OG1-N 3.01Å; T117-G119 VanDerWaalsContact OG1-N 3.1Å; G119-I151 WeakPolarHBondContact O-CG2 3.43Å
120	K	86.4	Confident	89.6	Confident	168 Å²	168	63 Å²	63	73%	0.73	33%	0.326	S	S	*	.	S	Bend	trans	-122.4	-26.7	176.3	-64.8	179.9	-178	174.2	0	112.8	D118	D118-K120 PolarHBondContact O-N 3.47Å; D118-K120 WeakPolarHBondContact OD1-CA 3.29Å; D118-K120 WeakPolarHBondContact OD1-CB 3.2Å; D118-K120 PolarHBondContact OD1-N 2.94Å
121	K	90.5	Very high	89.7	Confident	72 Å²	72	68.3 Å²	68.3	31%	0.313	35%	0.345	S	S	.	.	S	Bend	trans	-145.7	153.4	-177.1	82.8	-154.5	-179.5	-166.2	0	110.7	T117 D118 V123 N142 F143	T117-K121 WeakPolarHBondContact CA-O 3.4Å; T117-K121 PolarHBondContact OG1-O 3.38Å; D118-K121 PolarHBondContact N-O 3.35Å; D118-K121 WeakPolarHBondContact OD1-CG 3.41Å; D118-K121 PolarHBondContact OD1-N 2.94Å; D118-K121 WeakPolarHBondContact OD2-CD 3.32Å; D118-K121 WeakPolarHBondContact OD2-CE 3.37Å; D118-K121 WeakPolarHBondContact OD2-CG 3.48Å; D118-K121 IonicContact OD2-NZ 3.4Å; D118-K121 PolarHBondContact OD2-NZ 3.12Å; K121-V123 HydrophobicContact CD-CG2 4.48Å; K121-V123 HydrophobicContact CG-CG2 3.95Å; K121-N142 HydrophobicContact CD-CB 4.33Å; K121-N142 VanDerWaalsContact CE-OD1 3.26Å; K121-N142 WeakPolarHBondContact CE-OD1 3.4Å; K121-F143 CarbonylContact C-O 3.52Å; K121-F143 VanDerWaalsContact CA-O 3.28Å; K121-F143 WeakPolarHBondContact CA-O 3.26Å; K121-F143 VanDerWaalsContact CB-O 3.32Å; K121-F143 WeakPolarHBondContact CB-O 3.25Å
122	A	88.9	Confident	89.8	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	130.8	166.7	0	0	0	0	0	109.1	T116 N142 F143 I151 L154 I167	T116-A122 CarbonylContact O-C 3.56Å; A122-N142 WeakPolarHBondContact O-CA 3.43Å; A122-F143 HydrophobicContact CB-CB 4.42Å; A122-F143 PolarHBondContact N-O 3.3Å; A122-F143 PolarHBondContact O-N 3.32Å; A122-I151 HydrophobicContact CB-CD1 4.14Å; A122-L154 HydrophobicContact CB-CD1 3.58Å; A122-I167 HydrophobicContact CB-CG2 4.44Å
123	V	91.7	Very high	89.7	Confident	25 Å²	25	67.8 Å²	67.8	15%	0.152	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	117.7	177.7	-175.1	0	0	0	0	108.2	V115 T116 K121 T125 N142	V115-V123 CarbonylContact C-O 3.59Å; V115-V123 WeakPolarHBondContact CA-O 3.46Å; T116-V123 PolarHBondContact N-O 3.23Å; T116-V123 PolarHBondContact O-N 3.42Å; K121-V123 HydrophobicContact CD-CG2 4.48Å; K121-V123 HydrophobicContact CG-CG2 3.95Å; V123-T125 HydrophobicContact CG1-CG2 4.42Å; V123-N142 WeakPolarHBondContact CG2-OD1 3.46Å
124	V	91.1	Very high	89.6	Confident	0 Å²	0	73.9 Å²	73.9	0%	0	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	129.6	176.3	-175.3	0	0	0	0	108	I103 I113 V115 S140 W141 F143 L165 I167	I103-V124 HydrophobicContact CD1-CB 4.39Å; I103-V124 HydrophobicContact CD1-CG1 4.2Å; I103-V124 HydrophobicContact CD1-CG2 4.11Å; I113-V124 HydrophobicContact CG2-CG1 4.4Å; V115-V124 HydrophobicContact CG1-CG2 4.3Å; V115-V124 HydrophobicContact CG2-CG1 4.29Å; V115-V124 HydrophobicContact CG2-CG2 4.27Å; V124-S140 CarbonylContact O-C 3.46Å; V124-S140 VanDerWaalsContact O-CA 3.22Å; V124-S140 WeakPolarHBondContact O-CA 3.37Å; V124-S140 PolarHBondContact O-OG 3.01Å; V124-W141 HydrophobicContact CB-CB 4.4Å; V124-W141 HydrophobicContact CB-CE3 4.07Å; V124-W141 HydrophobicContact CG1-CE3 3.88Å; V124-W141 HydrophobicContact CG1-CZ3 4.27Å; V124-W141 PolarHBondContact N-O 2.96Å; V124-W141 PolarHBondContact O-N 3.47Å; V124-F143 HydrophobicContact CB-CE2 4.5Å; V124-F143 HydrophobicContact CG2-CD2 4.06Å; V124-F143 HydrophobicContact CG2-CE2 3.9Å; V124-L165 HydrophobicContact CG1-CD2 3.65Å; V124-L165 HydrophobicContact CG2-CD2 4.33Å; V124-I167 HydrophobicContact CG2-CD1 3.23Å
125	T	92.2	Very high	89.4	Confident	46 Å²	46	73 Å²	73	28%	0.282	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	130.2	173.9	48.3	0	0	0	0	108.4	I113 N114 V123 Y139	I113-T125 CarbonylContact C-O 3.56Å; I113-T125 WeakPolarHBondContact CA-O 3.38Å; N114-T125 WeakPolarHBondContact CB-OG1 3.41Å; N114-T125 PolarHBondContact N-O 2.73Å; N114-T125 PolarHBondContact O-N 3.33Å; N114-T125 PolarHBondContact O-OG1 3.36Å; V123-T125 HydrophobicContact CG1-CG2 4.42Å; T125-Y139 CarbonylContact C-O 3.53Å; T125-Y139 WeakPolarHBondContact CA-O 3.37Å
126	A	91.5	Very high	89.2	Confident	0 Å²	0	75.7 Å²	75.7	0%	0	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	112.8	176.4	0	0	0	0	0	108.4	L105 F108 D112 I113 S138 Y139 W141	L105-A126 HydrophobicContact CD1-CB 4.29Å; F108-A126 HydrophobicContact CD1-CB 3.75Å; F108-A126 HydrophobicContact CE1-CB 3.7Å; F108-A126 WeakPolarHBondContact CE1-O 3.5Å; F108-A126 HydrophobicContact CG-CB 4.19Å; F108-A126 HydrophobicContact CZ-CB 4.11Å; D112-A126 CarbonylContact O-C 3.59Å; D112-A126 VanDerWaalsContact O-CA 3.27Å; D112-A126 WeakPolarHBondContact O-CA 3.43Å; I113-A126 HydrophobicContact CG1-CB 4.21Å; A126-S138 CarbonylContact O-C 3.6Å; A126-S138 VanDerWaalsContact O-CA 3.26Å; A126-S138 WeakPolarHBondContact O-CA 3.38Å; A126-Y139 PolarHBondContact N-O 3.5Å; A126-Y139 PolarHBondContact O-N 3.37Å; A126-W141 HydrophobicContact CB-CH2 4.41Å; A126-W141 HydrophobicContact CB-CZ3 3.94Å
127	E	90.9	Very high	89	Confident	72 Å²	72	76.3 Å²	76.3	34%	0.336	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	117.9	-175.2	-174.4	176	108.6	0	0	110.9	D112 K129 V135 R137	D112-E127 WeakPolarHBondContact CB-O 3.43Å; D112-E127 PolarHBondContact O-N 2.84Å; E127-K129 WeakPolarHBondContact OE1-CE 3.47Å; E127-K129 IonicContact OE1-NZ 3.49Å; E127-K129 PolarHBondContact OE1-NZ 3.2Å; E127-V135 HydrophobicContact CG-CB 4.37Å; E127-V135 HydrophobicContact CG-CG1 3.73Å; E127-V135 HydrophobicContact CG-CG2 3.79Å; E127-V135 WeakPolarHBondContact OE1-CG2 3.48Å; E127-R137 WeakPolarHBondContact CA-O 3.27Å
128	K	90.2	Very high	89.1	Confident	72 Å²	72	76.2 Å²	76.2	31%	0.313	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	122.1	177.4	-171.4	170.8	-168.8	166.1	0	110.2	H107 F108 V136 R137	H107-K128 WeakPolarHBondContact O-CD 3.44Å; H107-K128 PolarHBondContact O-NZ 3.04Å; F108-K128 HydrophobicContact CD1-CB 4.25Å; F108-K128 HydrophobicContact CE1-CB 3.84Å; K128-V136 PolarHBondContact O-N 3.42Å; K128-R137 HydrophobicContact CB-CB 4.47Å; K128-R137 PolarHBondContact N-O 3.4Å; K128-R137 PolarHBondContact O-N 3.09Å
129	K	89.7	Confident	89.3	Confident	118 Å²	118	75.5 Å²	75.5	51%	0.513	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	149.2	176.3	-64.3	178.8	-176.8	-178	0	111.6	E127 G133 K134 V135	E127-K129 WeakPolarHBondContact OE1-CE 3.47Å; E127-K129 IonicContact OE1-NZ 3.49Å; E127-K129 PolarHBondContact OE1-NZ 3.2Å; K129-G133 WeakPolarHBondContact CD-O 3.4Å; K129-K134 CarbonylContact C-O 3.5Å; K129-K134 VanDerWaalsContact CA-O 3.26Å; K129-K134 WeakPolarHBondContact CA-O 3.49Å; K129-V135 HydrophobicContact CG-CG2 4.25Å
130	N	88.6	Confident	89.7	Confident	55 Å²	55	76.4 Å²	76.4	29%	0.294	39%	0.388	S	S	.	.			trans	-78.4	-179.2	169	75.2	-6.6	0	0	0	110.6	D132 G133 K134 V136	N130-D132 PolarHBondContact ND2-OD2 2.99Å; N130-D132 PolarHBondContact O-N 3.48Å; N130-D132 WeakPolarHBondContact OD1-CA 3.09Å; N130-D132 WeakPolarHBondContact OD1-CB 3.27Å; N130-D132 PolarHBondContact OD1-N 3.08Å; N130-G133 PolarHBondContact O-N 3.36Å; N130-G133 PolarHBondContact OD1-N 3.35Å; N130-G133 VanDerWaalsContact OD1-N 3.07Å; N130-K134 PolarHBondContact N-O 3.17Å; N130-K134 WeakPolarHBondContact OD1-CB 3.43Å; N130-K134 PolarHBondContact OD1-N 2.96Å; N130-K134 PolarHBondContact OD1-O 2.99Å; N130-V136 HydrophobicContact CB-CG2 3.55Å
131	K	89.9	Confident	89.9	Confident	214 Å²	214	69.6 Å²	69.6	93%	0.93	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-26.2	177.6	-64.5	-177.2	-179.6	179.6	0	113.4	G133	K131-G133 VanDerWaalsContact C-N 3.27Å; K131-G133 PolarHBondContact O-N 3.39Å
132	D	92.6	Very high	89.9	Confident	127 Å²	127	70.6 Å²	70.6	68%	0.679	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	3.2	177.4	-42	-55.6	0	0	0	112.9	N130 K134	N130-D132 PolarHBondContact ND2-OD2 2.99Å; N130-D132 PolarHBondContact O-N 3.48Å; N130-D132 WeakPolarHBondContact OD1-CA 3.09Å; N130-D132 WeakPolarHBondContact OD1-CB 3.27Å; N130-D132 PolarHBondContact OD1-N 3.08Å; D132-K134 VanDerWaalsContact C-N 3.28Å; D132-K134 PolarHBondContact O-N 3.47Å
133	G	89	Confident	89.8	Confident	44 Å²	44	71.6 Å²	71.6	45%	0.454	37%	0.37	S	S	.	.	S	Bend	trans	78.1	3.5	-176.9	0	0	0	0	0	115.2	K129 N130 K131	K129-G133 WeakPolarHBondContact CD-O 3.4Å; N130-G133 PolarHBondContact O-N 3.36Å; N130-G133 PolarHBondContact OD1-N 3.35Å; N130-G133 VanDerWaalsContact OD1-N 3.07Å; K131-G133 VanDerWaalsContact C-N 3.27Å; K131-G133 PolarHBondContact O-N 3.39Å
134	K	89.3	Confident	89.6	Confident	148 Å²	148	78.5 Å²	78.5	64%	0.643	40%	0.399	S	S	*	.			trans	-76.9	136.1	175.6	-63.3	-177.4	179.7	177.9	0	110.7	K129 N130 D132 V136	K129-K134 CarbonylContact C-O 3.5Å; K129-K134 VanDerWaalsContact CA-O 3.26Å; K129-K134 WeakPolarHBondContact CA-O 3.49Å; N130-K134 PolarHBondContact N-O 3.17Å; N130-K134 WeakPolarHBondContact OD1-CB 3.43Å; N130-K134 PolarHBondContact OD1-N 2.96Å; N130-K134 PolarHBondContact OD1-O 2.99Å; D132-K134 VanDerWaalsContact C-N 3.28Å; D132-K134 PolarHBondContact O-N 3.47Å; K134-V136 PolarHBondContact O-N 2.98Å
135	V	88.4	Confident	89.2	Confident	73 Å²	73	79.2 Å²	79.2	44%	0.442	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	121.3	176.3	179.4	0	0	0	0	109.8	E127 K129	E127-V135 HydrophobicContact CG-CB 4.37Å; E127-V135 HydrophobicContact CG-CG1 3.73Å; E127-V135 HydrophobicContact CG-CG2 3.79Å; E127-V135 WeakPolarHBondContact OE1-CG2 3.48Å; K129-V135 HydrophobicContact CG-CG2 4.25Å
136	V	87.8	Confident	88.7	Confident	91 Å²	91	82.4 Å²	82.4	55%	0.552	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.9	-36.9	177.8	-173.1	0	0	0	0	110.7	K128 N130 K134	K128-V136 PolarHBondContact O-N 3.42Å; N130-V136 HydrophobicContact CB-CG2 3.55Å; K134-V136 PolarHBondContact O-N 2.98Å
137	R	86.3	Confident	88.2	Confident	76 Å²	76	87.6 Å²	87.6	29%	0.287	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	134.4	178.9	-64.8	-174.8	178.7	-166.7	-7.8	109.2	C87 F108 E127 K128	C87-R137 PolarHBondContact SG-NH1 2.92Å; F108-R137 HydrophobicContact CZ-CB 4.07Å; E127-R137 WeakPolarHBondContact CA-O 3.27Å; K128-R137 HydrophobicContact CB-CB 4.47Å; K128-R137 PolarHBondContact N-O 3.4Å; K128-R137 PolarHBondContact O-N 3.09Å
138	S	88.9	Confident	87.7	Confident	68 Å²	68	87.7 Å²	87.7	48%	0.476	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	135.1	172.6	-173.2	0	0	0	0	109.3	A126	A126-S138 CarbonylContact O-C 3.6Å; A126-S138 VanDerWaalsContact O-CA 3.26Å; A126-S138 WeakPolarHBondContact O-CA 3.38Å
139	Y	89.3	Confident	87.5	Confident	66 Å²	66	84.8 Å²	84.8	26%	0.259	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	146.4	173.3	-63.6	-73	0	0	0	109.6	C87 Y88 F108 T125 A126 W141	C87-Y139 HydrophobicContact CB-CE2 3.93Å; C87-Y139 PolarHBondContact SG-OH 3.23Å; Y88-Y139 HydrophobicContact CD1-CD1 4.18Å; Y88-Y139 HydrophobicContact CD1-CE1 4.09Å; Y88-Y139 HydrophobicContact CD1-CG 4.47Å; Y88-Y139 AromaticContact CE1-CD1 3.85Å; Y88-Y139 HydrophobicContact CE1-CD1 3.85Å; Y88-Y139 AromaticContact CE1-CE1 3.75Å; Y88-Y139 HydrophobicContact CE1-CE1 3.75Å; F108-Y139 AromaticContact CE2-CD2 3.61Å; F108-Y139 HydrophobicContact CE2-CD2 3.61Å; F108-Y139 AromaticContact CE2-CE2 3.72Å; F108-Y139 HydrophobicContact CE2-CE2 3.72Å; F108-Y139 AromaticContact CZ-CD2 3.52Å; F108-Y139 HydrophobicContact CZ-CD2 3.52Å; F108-Y139 AromaticContact CZ-CE2 3.83Å; F108-Y139 HydrophobicContact CZ-CE2 3.83Å; T125-Y139 CarbonylContact C-O 3.53Å; T125-Y139 WeakPolarHBondContact CA-O 3.37Å; A126-Y139 PolarHBondContact N-O 3.5Å; A126-Y139 PolarHBondContact O-N 3.37Å; Y139-W141 HydrophobicContact CD1-CZ2 4.47Å; Y139-W141 HydrophobicContact CD2-CH2 4.16Å; Y139-W141 AromaticContact CG-CH2 3.77Å; Y139-W141 HydrophobicContact CG-CH2 3.77Å; Y139-W141 HydrophobicContact CG-CZ2 4.02Å
140	S	90.4	Very high	87.3	Confident	69 Å²	69	79.6 Å²	79.6	48%	0.483	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	138.4	174.6	-175.6	0	0	0	0	111	V124	V124-S140 CarbonylContact O-C 3.46Å; V124-S140 VanDerWaalsContact O-CA 3.22Å; V124-S140 WeakPolarHBondContact O-CA 3.37Å; V124-S140 PolarHBondContact O-OG 3.01Å
141	W	90.3	Very high	87.1	Confident	26 Å²	26	77.9 Å²	77.9	10%	0.098	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	142.9	176.1	-57.3	-91.9	0	0	0	110.1	Y88 L105 V124 A126 Y139 F143	Y88-W141 AromaticContact CD1-CZ2 3.7Å; Y88-W141 HydrophobicContact CD1-CZ2 3.7Å; Y88-W141 AromaticContact CD2-CZ2 3.75Å; Y88-W141 HydrophobicContact CD2-CZ2 3.75Å; Y88-W141 AromaticContact CD2-NE1 3.82Å; Y88-W141 HydrophobicContact CE1-CZ2 4.04Å; Y88-W141 HydrophobicContact CE2-CZ2 4.09Å; Y88-W141 AromaticContact CE2-NE1 3.54Å; Y88-W141 HydrophobicContact CG-CH2 4.43Å; Y88-W141 AromaticContact CG-CZ2 3.54Å; Y88-W141 HydrophobicContact CG-CZ2 3.54Å; Y88-W141 AromaticContact CZ-NE1 4Å; L105-W141 HydrophobicContact CD2-CH2 3.23Å; L105-W141 HydrophobicContact CD2-CZ2 3.98Å; L105-W141 HydrophobicContact CD2-CZ3 3.78Å; V124-W141 HydrophobicContact CB-CB 4.4Å; V124-W141 HydrophobicContact CB-CE3 4.07Å; V124-W141 HydrophobicContact CG1-CE3 3.88Å; V124-W141 HydrophobicContact CG1-CZ3 4.27Å; V124-W141 PolarHBondContact N-O 2.96Å; V124-W141 PolarHBondContact O-N 3.47Å; A126-W141 HydrophobicContact CB-CH2 4.41Å; A126-W141 HydrophobicContact CB-CZ3 3.94Å; Y139-W141 HydrophobicContact CD1-CZ2 4.47Å; Y139-W141 HydrophobicContact CD2-CH2 4.16Å; Y139-W141 AromaticContact CG-CH2 3.77Å; Y139-W141 HydrophobicContact CG-CH2 3.77Å; Y139-W141 HydrophobicContact CG-CZ2 4.02Å; W141-F143 HydrophobicContact CB-CD2 4.19Å; W141-F143 HydrophobicContact CB-CE2 3.34Å; W141-F143 HydrophobicContact CB-CZ 3.54Å; W141-F143 HydrophobicContact CG-CE2 4.16Å; W141-F143 HydrophobicContact CG-CZ 4.01Å
142	N	90.8	Very high	86.7	Confident	93 Å²	93	76.2 Å²	76.2	50%	0.497	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	118.1	175.2	-66	-79.2	0	0	0	108.1	K121 A122 V123	K121-N142 HydrophobicContact CD-CB 4.33Å; K121-N142 VanDerWaalsContact CE-OD1 3.26Å; K121-N142 WeakPolarHBondContact CE-OD1 3.4Å; A122-N142 WeakPolarHBondContact O-CA 3.43Å; V123-N142 WeakPolarHBondContact CG2-OD1 3.46Å
143	F	87.2	Confident	86.3	Confident	20 Å²	20	75 Å²	75	9%	0.088	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	122	179.8	-60.6	-75.6	0	0	0	110	V90 W99 V101 I103 K121 A122 V124 W141 P145	V90-F143 HydrophobicContact CG1-CE1 3.61Å; V90-F143 HydrophobicContact CG1-CZ 3.76Å; W99-F143 HydrophobicContact CH2-CB 3.53Å; W99-F143 HydrophobicContact CH2-CG 4.45Å; W99-F143 HydrophobicContact CZ2-CB 3.75Å; V101-F143 HydrophobicContact CG1-CD1 3.87Å; V101-F143 HydrophobicContact CG1-CD2 4.19Å; V101-F143 HydrophobicContact CG1-CE1 3.6Å; V101-F143 HydrophobicContact CG1-CE2 3.93Å; V101-F143 HydrophobicContact CG1-CG 4.16Å; V101-F143 HydrophobicContact CG1-CZ 3.63Å; V101-F143 HydrophobicContact CG2-CB 4.34Å; V101-F143 HydrophobicContact CG2-CD1 3.9Å; V101-F143 HydrophobicContact CG2-CE1 4.42Å; V101-F143 HydrophobicContact CG2-CG 4.07Å; I103-F143 HydrophobicContact CD1-CE2 3.42Å; I103-F143 VanDerWaalsContact CD1-CE2 3.42Å; I103-F143 HydrophobicContact CD1-CZ 3.61Å; I103-F143 HydrophobicContact CG1-CE2 4.36Å; I103-F143 HydrophobicContact CG1-CZ 4.17Å; K121-F143 CarbonylContact C-O 3.52Å; K121-F143 VanDerWaalsContact CA-O 3.28Å; K121-F143 WeakPolarHBondContact CA-O 3.26Å; K121-F143 VanDerWaalsContact CB-O 3.32Å; K121-F143 WeakPolarHBondContact CB-O 3.25Å; A122-F143 HydrophobicContact CB-CB 4.42Å; A122-F143 PolarHBondContact N-O 3.3Å; A122-F143 PolarHBondContact O-N 3.32Å; V124-F143 HydrophobicContact CB-CE2 4.5Å; V124-F143 HydrophobicContact CG2-CD2 4.06Å; V124-F143 HydrophobicContact CG2-CE2 3.9Å; W141-F143 HydrophobicContact CB-CD2 4.19Å; W141-F143 HydrophobicContact CB-CE2 3.34Å; W141-F143 HydrophobicContact CB-CZ 3.54Å; W141-F143 HydrophobicContact CG-CE2 4.16Å; W141-F143 HydrophobicContact CG-CZ 4.01Å; F143-P145 WeakPolarHBondContact O-CD 3.4Å
144	K	87.7	Confident	86.2	Confident	171 Å²	171	74.9 Å²	74.9	74%	0.743	39%	0.387	S	S	*	.			trans	-97.9	108.9	175.8	-172.4	177.5	-179.3	-179.1	0	108.5
145	P	82.2	Confident	86.1	Confident	15 Å²	15	70.5 Å²	70.5	10%	0.097	38%	0.379	C	S	.	.			trans	-60.9	158.5	175	-16.2	27.9	0	0	0	111.3	W99 F143 A149 I151	W99-P145 HydrophobicContact CD2-CB 3.85Å; W99-P145 HydrophobicContact CD2-CG 4.35Å; W99-P145 HydrophobicContact CE3-CB 3.89Å; W99-P145 HydrophobicContact CE3-CG 3.97Å; W99-P145 HydrophobicContact CG-CB 4.33Å; W99-P145 HydrophobicContact CH2-CB 4.37Å; W99-P145 HydrophobicContact CH2-CG 3.9Å; W99-P145 HydrophobicContact CZ2-CB 4.36Å; W99-P145 HydrophobicContact CZ2-CG 4.31Å; W99-P145 HydrophobicContact CZ3-CB 4.16Å; W99-P145 HydrophobicContact CZ3-CG 3.74Å; F143-P145 WeakPolarHBondContact O-CD 3.4Å; P145-A149 HydrophobicContact CB-CB 3.83Å; P145-I151 HydrophobicContact CG-CB 4.36Å; P145-I151 HydrophobicContact CG-CD1 3.47Å; P145-I151 VanDerWaalsContact CG-CD1 3.47Å; P145-I151 HydrophobicContact CG-CG1 4.41Å
146	Y	81.6	Confident	86.1	Confident	112 Å²	112	70.4 Å²	70.4	44%	0.439	38%	0.378	S	S	.	.			trans	-59	151.6	167.8	-69.4	-82.9	0	0	0	111.1	W99 W148 A149	W99-Y146 AromaticContact CD1-CD2 3.55Å; W99-Y146 AromaticContact CD1-CE2 3.82Å; W99-Y146 HydrophobicContact CG-CD2 4.39Å; Y146-W148 VanDerWaalsContact CB-CE2 3.47Å; Y146-W148 AromaticContact CD2-CZ2 3.7Å; Y146-W148 HydrophobicContact CD2-CZ2 3.7Å; Y146-W148 AromaticContact CG-CE2 3.87Å; Y146-W148 HydrophobicContact CG-CZ2 4.02Å; Y146-W148 AromaticContact CG-NE1 3.49Å; Y146-W148 PolarHBondContact O-N 3.46Å; Y146-A149 WeakPolarHBondContact O-CB 3.38Å; Y146-A149 PolarHBondContact O-N 2.95Å
147	A	81.2	Confident	86.3	Confident	109 Å²	109	68.6 Å²	68.6	90%	0.901	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-22.8	-179.1	0	0	0	0	0	114.5
148	W	81.1	Confident	86.5	Confident	75 Å²	75	67.5 Å²	67.5	28%	0.284	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-11.2	176.6	56.7	-103.9	0	0	0	113.7	T95 W99 Y146 K171 T172	T95-W148 WeakPolarHBondContact O-CH2 3.48Å; W99-W148 HydrophobicContact CB-CH2 3.69Å; W99-W148 HydrophobicContact CB-CZ2 4.39Å; W99-W148 HydrophobicContact CB-CZ3 4.12Å; Y146-W148 VanDerWaalsContact CB-CE2 3.47Å; Y146-W148 AromaticContact CD2-CZ2 3.7Å; Y146-W148 HydrophobicContact CD2-CZ2 3.7Å; Y146-W148 AromaticContact CG-CE2 3.87Å; Y146-W148 HydrophobicContact CG-CZ2 4.02Å; Y146-W148 AromaticContact CG-NE1 3.49Å; Y146-W148 PolarHBondContact O-N 3.46Å; W148-K171 HydrophobicContact CB-CG 4.48Å; W148-K171 HydrophobicContact CE3-CB 4.03Å; W148-K171 HydrophobicContact CE3-CG 4.02Å; W148-K171 HydrophobicContact CZ3-CB 4.41Å; W148-K171 CarbonylContact O-C 3.59Å; W148-K171 VanDerWaalsContact O-CA 3.27Å; W148-K171 WeakPolarHBondContact O-CA 3.42Å; W148-K171 WeakPolarHBondContact O-CG 3.49Å; W148-T172 PolarHBondContact O-N 3.21Å; W148-T172 PolarHBondContact O-OG1 3.42Å
149	A	85.1	Confident	86.6	Confident	10 Å²	10	67.1 Å²	67.1	8%	0.083	36%	0.361	C	S	.	.	B	Isolated β-bridge	trans	-91.7	135.2	-178.8	0	0	0	0	0	110.5	W99 P145 Y146 I151 A169 P170	W99-A149 HydrophobicContact CB-CB 3.89Å; P145-A149 HydrophobicContact CB-CB 3.83Å; Y146-A149 WeakPolarHBondContact O-CB 3.38Å; Y146-A149 PolarHBondContact O-N 2.95Å; A149-I151 PolarHBondContact O-N 3.39Å; A149-A169 HydrophobicContact CB-CB 3.92Å; A149-P170 CarbonylContact C-O 3.51Å; A149-P170 WeakPolarHBondContact CA-O 3.36Å
150	S	85.3	Confident	86.6	Confident	10 Å²	10	66.9 Å²	66.9	7%	0.07	37%	0.373	C	S	.	.			trans	-82.8	101.8	176	177.3	0	0	0	0	109.6	E152 N153 A169 P170	S150-E152 PolarHBondContact O-N 2.85Å; S150-N153 PolarHBondContact O-N 3.35Å; S150-N153 PolarHBondContact OG-N 3.39Å; S150-N153 PolarHBondContact OG-ND2 3.44Å; S150-A169 WeakPolarHBondContact O-CB 3.42Å; S150-P170 PolarHBondContact N-O 3.49Å
151	I	84.7	Confident	86.5	Confident	19 Å²	19	73.2 Å²	73.2	10%	0.097	39%	0.392	C	S	.	.	S	Bend	trans	-65.2	-25.4	171.8	-169.4	71.7	0	0	0	111.9	T117 G119 A122 P145 A149 N153 L154	T117-I151 VanDerWaalsContact OG1-CG1 3.29Å; T117-I151 WeakPolarHBondContact OG1-CG1 3.46Å; G119-I151 WeakPolarHBondContact O-CG2 3.43Å; A122-I151 HydrophobicContact CB-CD1 4.14Å; P145-I151 HydrophobicContact CG-CB 4.36Å; P145-I151 HydrophobicContact CG-CD1 3.47Å; P145-I151 VanDerWaalsContact CG-CD1 3.47Å; P145-I151 HydrophobicContact CG-CG1 4.41Å; A149-I151 PolarHBondContact O-N 3.39Å; I151-N153 VanDerWaalsContact C-N 3.28Å; I151-N153 PolarHBondContact O-N 3.02Å; I151-L154 HydrophobicContact CD1-CD1 3.56Å; I151-L154 WeakPolarHBondContact O-CB 3.32Å; I151-L154 PolarHBondContact O-N 3.28Å
152	E	82.6	Confident	86.5	Confident	178 Å²	178	78.7 Å²	78.7	83%	0.832	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-32.5	176.9	-63.6	176.9	175.5	0	0	111.7	S150 L154	S150-E152 PolarHBondContact O-N 2.85Å; E152-L154 VanDerWaalsContact C-N 3.31Å; E152-L154 PolarHBondContact O-N 2.92Å
153	N	83.4	Confident	86.5	Confident	102 Å²	102	77.7 Å²	77.7	55%	0.545	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	30.5	177.8	-65.5	-38.9	0	0	0	112.3	S150 I151 A155 P170	S150-N153 PolarHBondContact O-N 3.35Å; S150-N153 PolarHBondContact OG-N 3.39Å; S150-N153 PolarHBondContact OG-ND2 3.44Å; I151-N153 VanDerWaalsContact C-N 3.28Å; I151-N153 PolarHBondContact O-N 3.02Å; N153-A155 PolarHBondContact O-N 2.92Å; N153-P170 HydrophobicContact CB-CG 3.52Å; N153-P170 WeakPolarHBondContact O-CD 3.35Å
154	L	86.2	Confident	86.7	Confident	41 Å²	41	77.8 Å²	77.8	22%	0.215	41%	0.41	C	S	.	.			trans	-67.5	124.4	-178.2	-179.1	145.3	0	0	0	111.1	V115 A122 I151 E152 V156 I167 E168	V115-L154 HydrophobicContact CG1-CD2 4.43Å; A122-L154 HydrophobicContact CB-CD1 3.58Å; I151-L154 HydrophobicContact CD1-CD1 3.56Å; I151-L154 WeakPolarHBondContact O-CB 3.32Å; I151-L154 PolarHBondContact O-N 3.28Å; E152-L154 VanDerWaalsContact C-N 3.31Å; E152-L154 PolarHBondContact O-N 2.92Å; L154-V156 HydrophobicContact CD2-CG2 3.4Å; L154-V156 VanDerWaalsContact CD2-CG2 3.4Å; L154-I167 HydrophobicContact CD1-CG2 3.54Å; L154-I167 HydrophobicContact CD2-CG2 4.03Å; L154-I167 HydrophobicContact CG-CG2 3.8Å; L154-E168 CarbonylContact C-O 3.55Å; L154-E168 VanDerWaalsContact CA-O 3.32Å; L154-E168 WeakPolarHBondContact CA-O 3.44Å
155	A	87.4	Confident	86.8	Confident	57 Å²	57	69.7 Å²	69.7	47%	0.471	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	136	175.1	0	0	0	0	0	110.2	N153 I167 E168	N153-A155 PolarHBondContact O-N 2.92Å; A155-I167 CarbonylContact O-C 3.6Å; A155-I167 WeakPolarHBondContact O-CA 3.5Å; A155-E168 HydrophobicContact CB-CB 4.46Å; A155-E168 PolarHBondContact N-O 3.14Å; A155-E168 PolarHBondContact O-N 3.18Å
156	V	89.6	Confident	87.2	Confident	70 Å²	70	70.4 Å²	70.4	42%	0.424	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	132.4	176.6	-173.6	0	0	0	0	109.1	V115 L154 L165 I166 I167	V115-V156 HydrophobicContact CB-CG1 4.41Å; V115-V156 HydrophobicContact CB-CG2 4.07Å; V115-V156 HydrophobicContact CG1-CG2 3.75Å; V115-V156 HydrophobicContact CG2-CG1 3.98Å; V115-V156 HydrophobicContact CG2-CG2 4.47Å; L154-V156 HydrophobicContact CD2-CG2 3.4Å; L154-V156 VanDerWaalsContact CD2-CG2 3.4Å; V156-L165 HydrophobicContact CG1-CD1 3.6Å; V156-L165 HydrophobicContact CG1-CG 4.49Å; V156-I166 CarbonylContact C-O 3.54Å; V156-I166 WeakPolarHBondContact CA-O 3.46Å; V156-I167 HydrophobicContact CG2-CG1 4.5Å
157	A	90.3	Very high	87.5	Confident	53 Å²	53	65.1 Å²	65.1	44%	0.438	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	139.5	174.7	0	0	0	0	0	110.5	I166	A157-I166 HydrophobicContact CB-CB 4.39Å; A157-I166 PolarHBondContact N-O 2.83Å; A157-I166 PolarHBondContact O-N 2.93Å
158	W	92	Very high	87.9	Confident	54 Å²	54	62.4 Å²	62.4	21%	0.205	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	132.1	175.5	171.9	-109	0	0	0	110.8	L105 L110 I113 H163 L164 L165	L105-W158 HydrophobicContact CB-CH2 4.4Å; L105-W158 HydrophobicContact CB-CZ3 4.38Å; L105-W158 HydrophobicContact CD1-CZ3 4.5Å; L110-W158 HydrophobicContact CB-CG 4.28Å; L110-W158 HydrophobicContact CD1-CB 3.76Å; L110-W158 HydrophobicContact CD1-CG 3.91Å; I113-W158 HydrophobicContact CD1-CD2 4.41Å; I113-W158 HydrophobicContact CD1-CE3 3.85Å; I113-W158 HydrophobicContact CD1-CH2 3.84Å; I113-W158 HydrophobicContact CD1-CZ2 4.39Å; I113-W158 HydrophobicContact CD1-CZ3 3.55Å; W158-H163 HydrophobicContact CH2-CB 4.15Å; W158-H163 VanDerWaalsContact CZ3-C 3.48Å; W158-L164 VanDerWaalsContact CE3-C 3.47Å; W158-L165 HydrophobicContact CE3-CB 3.99Å; W158-L165 HydrophobicContact CE3-CD1 4.34Å; W158-L165 HydrophobicContact CZ3-CB 4.2Å
159	N	90.5	Very high	88.1	Confident	59 Å²	59	58.9 Å²	58.9	32%	0.316	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	99	171.9	-173.1	-37.2	0	0	0	109.8	K161 K162 H163 L164	N159-K161 VanDerWaalsContact C-N 3.31Å; N159-K161 PolarHBondContact O-N 2.92Å; N159-K161 PolarHBondContact OD1-N 3.12Å; N159-K161 VanDerWaalsContact OD1-N 3.17Å; N159-K162 HydrophobicContact CB-CB 4.41Å; N159-K162 CarbonylContact O-C 3.53Å; N159-K162 PolarHBondContact O-N 3.45Å; N159-K162 PolarHBondContact OD1-N 2.85Å; N159-K162 VanDerWaalsContact OD1-N 3.16Å; N159-H163 PolarHBondContact O-N 3.31Å; N159-L164 HydrophobicContact CB-CB 4.29Å; N159-L164 PolarHBondContact N-O 3.5Å; N159-L164 PolarHBondContact O-N 2.88Å
160	A	88.9	Confident	88.2	Confident	62 Å²	62	60.1 Å²	60.1	51%	0.512	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-59.2	-38.5	-178.5	0	0	0	0	0	113.2	K162 H163	A160-K162 VanDerWaalsContact C-N 3.26Å; A160-K162 PolarHBondContact O-N 3.33Å; A160-H163 PolarHBondContact O-N 2.87Å
161	K	89.6	Confident	88	Confident	202 Å²	202	63.9 Å²	63.9	88%	0.878	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-65.5	-30.3	-179.3	-66.4	-175.2	178.1	-177.7	0	112.7	N159	N159-K161 VanDerWaalsContact C-N 3.31Å; N159-K161 PolarHBondContact O-N 2.92Å; N159-K161 PolarHBondContact OD1-N 3.12Å; N159-K161 VanDerWaalsContact OD1-N 3.17Å
162	K	90.2	Very high	87.5	Confident	140 Å²	140	66.7 Å²	66.7	61%	0.609	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-103.7	1.5	-178.9	-64.1	-174.7	177.4	-177.4	0	113.1	N159 A160 L164	N159-K162 HydrophobicContact CB-CB 4.41Å; N159-K162 CarbonylContact O-C 3.53Å; N159-K162 PolarHBondContact O-N 3.45Å; N159-K162 PolarHBondContact OD1-N 2.85Å; N159-K162 VanDerWaalsContact OD1-N 3.16Å; A160-K162 VanDerWaalsContact C-N 3.26Å; A160-K162 PolarHBondContact O-N 3.33Å; K162-L164 HydrophobicContact CB-CB 3.9Å; K162-L164 PolarHBondContact O-N 3.05Å
163	H	89.7	Confident	86.5	Confident	73 Å²	73	64.3 Å²	64.3	34%	0.338	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.7	40.2	-168.2	-64.1	-76.7	0	0	0	112.7	K104 L105 W158 N159 A160	K104-H163 CarbonylContact C-O 3.5Å; K104-H163 VanDerWaalsContact CA-O 3.27Å; K104-H163 WeakPolarHBondContact CA-O 3.49Å; L105-H163 PolarHBondContact N-O 3.28Å; W158-H163 HydrophobicContact CH2-CB 4.15Å; W158-H163 VanDerWaalsContact CZ3-C 3.48Å; N159-H163 PolarHBondContact O-N 3.31Å; A160-H163 PolarHBondContact O-N 2.87Å
164	L	91.3	Very high	84.9	Confident	21 Å²	21	62.5 Å²	62.5	11%	0.11	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	116.2	-167	-176.4	72.4	0	0	0	111.1	Q102 K104 W158 N159 K162 I166	Q102-L164 HydrophobicContact CB-CD1 4.14Å; K104-L164 HydrophobicContact CG-CD1 3.6Å; W158-L164 VanDerWaalsContact CE3-C 3.47Å; N159-L164 HydrophobicContact CB-CB 4.29Å; N159-L164 PolarHBondContact N-O 3.5Å; N159-L164 PolarHBondContact O-N 2.88Å; K162-L164 HydrophobicContact CB-CB 3.9Å; K162-L164 PolarHBondContact O-N 3.05Å; L164-I166 HydrophobicContact CD2-CD1 3.99Å; L164-I166 HydrophobicContact CD2-CG1 4.01Å; L164-I166 HydrophobicContact CG-CD1 4.48Å; L164-I166 HydrophobicContact CG-CG1 4Å
165	L	90.4	Very high	82.6	Confident	1 Å²	1	66.7 Å²	66.7	1%	0.005	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	134	166.1	-173.3	70.6	0	0	0	109.2	Q102 I103 L105 I113 V115 V124 V156 W158 I167	Q102-L165 CarbonylContact C-O 3.48Å; Q102-L165 WeakPolarHBondContact CA-O 3.31Å; I103-L165 HydrophobicContact CB-CB 4.29Å; I103-L165 HydrophobicContact CD1-CD2 4.19Å; I103-L165 PolarHBondContact N-O 2.87Å; I103-L165 PolarHBondContact O-N 2.98Å; L105-L165 HydrophobicContact CD1-CB 4.43Å; I113-L165 HydrophobicContact CG2-CD1 4.33Å; I113-L165 HydrophobicContact CG2-CD2 4.04Å; V115-L165 HydrophobicContact CG2-CD1 4.34Å; V115-L165 HydrophobicContact CG2-CD2 3.94Å; V124-L165 HydrophobicContact CG1-CD2 3.65Å; V124-L165 HydrophobicContact CG2-CD2 4.33Å; V156-L165 HydrophobicContact CG1-CD1 3.6Å; V156-L165 HydrophobicContact CG1-CG 4.49Å; W158-L165 HydrophobicContact CE3-CB 3.99Å; W158-L165 HydrophobicContact CE3-CD1 4.34Å; W158-L165 HydrophobicContact CZ3-CB 4.2Å; L165-I167 HydrophobicContact CD2-CD1 4.13Å; L165-I167 HydrophobicContact CD2-CG1 4.38Å; L165-I167 HydrophobicContact CG-CG1 4.35Å
166	I	89.7	Confident	80.2	Confident	31 Å²	31	67.4 Å²	67.4	16%	0.159	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	127	176.7	-56.8	174.1	0	0	0	107.2	R100 V101 Q102 V156 A157 L164 E168	R100-I166 HydrophobicContact CG-CG2 4.06Å; V101-I166 CarbonylContact O-C 3.46Å; V101-I166 WeakPolarHBondContact O-CA 3.39Å; Q102-I166 HydrophobicContact CG-CG1 4.32Å; Q102-I166 HydrophobicContact CG-CG2 4.5Å; V156-I166 CarbonylContact C-O 3.54Å; V156-I166 WeakPolarHBondContact CA-O 3.46Å; A157-I166 HydrophobicContact CB-CB 4.39Å; A157-I166 PolarHBondContact N-O 2.83Å; A157-I166 PolarHBondContact O-N 2.93Å; L164-I166 HydrophobicContact CD2-CD1 3.99Å; L164-I166 HydrophobicContact CD2-CG1 4.01Å; L164-I166 HydrophobicContact CG-CD1 4.48Å; L164-I166 HydrophobicContact CG-CG1 4Å; I166-E168 HydrophobicContact CG2-CG 3.94Å; I166-E168 WeakPolarHBondContact CG2-OE1 3.38Å
167	I	89.1	Confident	77.6	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	128.5	176	-60.7	172	0	0	0	106.9	W99 R100 V101 V115 A122 V124 L154 A155 V156 L165	W99-I167 HydrophobicContact CZ3-CG2 4.06Å; R100-I167 CarbonylContact C-O 3.57Å; R100-I167 VanDerWaalsContact CA-O 3.25Å; R100-I167 WeakPolarHBondContact CA-O 3.33Å; V101-I167 HydrophobicContact CB-CB 4.36Å; V101-I167 PolarHBondContact N-O 3.05Å; V101-I167 PolarHBondContact O-N 3.16Å; V115-I167 HydrophobicContact CG1-CD1 4.05Å; A122-I167 HydrophobicContact CB-CG2 4.44Å; V124-I167 HydrophobicContact CG2-CD1 3.23Å; L154-I167 HydrophobicContact CD1-CG2 3.54Å; L154-I167 HydrophobicContact CD2-CG2 4.03Å; L154-I167 HydrophobicContact CG-CG2 3.8Å; A155-I167 CarbonylContact O-C 3.6Å; A155-I167 WeakPolarHBondContact O-CA 3.5Å; V156-I167 HydrophobicContact CG2-CG1 4.5Å; L165-I167 HydrophobicContact CD2-CD1 4.13Å; L165-I167 HydrophobicContact CD2-CG1 4.38Å; L165-I167 HydrophobicContact CG-CG1 4.35Å
168	E	88.5	Confident	74.9	Confident	53 Å²	53	77.2 Å²	77.2	25%	0.248	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	134	-177.9	-69.1	-175.5	-162.7	0	0	110.5	V98 W99 R100 L154 A155 I166	V98-E168 HydrophobicContact CG2-CB 3.79Å; V98-E168 HydrophobicContact CG2-CG 4.19Å; W99-E168 CarbonylContact O-C 3.51Å; W99-E168 VanDerWaalsContact O-CA 3.26Å; W99-E168 WeakPolarHBondContact O-CA 3.22Å; R100-E168 HydrophobicContact CB-CG 4.12Å; R100-E168 HydrophobicContact CG-CG 3.93Å; R100-E168 IonicContact CZ-OE1 2.97Å; R100-E168 IonicContact CZ-OE2 3.98Å; R100-E168 VanDerWaalsContact NE-CD 3.3Å; R100-E168 IonicContact NE-OE1 2.69Å; R100-E168 PolarHBondContact NE-OE1 3.42Å; R100-E168 IonicContact NE-OE2 3.88Å; R100-E168 VanDerWaalsContact NH2-CD 3.25Å; R100-E168 IonicContact NH2-OE1 2.67Å; R100-E168 PolarHBondContact NH2-OE1 2.71Å; R100-E168 IonicContact NH2-OE2 3.2Å; R100-E168 PolarHBondContact NH2-OE2 3.21Å; L154-E168 CarbonylContact C-O 3.55Å; L154-E168 VanDerWaalsContact CA-O 3.32Å; L154-E168 WeakPolarHBondContact CA-O 3.44Å; A155-E168 HydrophobicContact CB-CB 4.46Å; A155-E168 PolarHBondContact N-O 3.14Å; A155-E168 PolarHBondContact O-N 3.18Å; I166-E168 HydrophobicContact CG2-CG 3.94Å; I166-E168 WeakPolarHBondContact CG2-OE1 3.38Å
169	A	86.1	Confident	72.1	Confident	0 Å²	0	80.2 Å²	80.2	0%	0	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	116.7	170.3	0	0	0	0	0	108.6	V98 W99 A149 S150	V98-A169 WeakPolarHBondContact CA-O 3.4Å; V98-A169 WeakPolarHBondContact CG2-O 3.2Å; W99-A169 HydrophobicContact CB-CB 4.49Å; W99-A169 HydrophobicContact CE3-CB 3.64Å; W99-A169 HydrophobicContact CZ3-CB 4.3Å; W99-A169 PolarHBondContact N-O 2.82Å; W99-A169 PolarHBondContact O-N 2.88Å; A149-A169 HydrophobicContact CB-CB 3.92Å; S150-A169 WeakPolarHBondContact O-CB 3.42Å
170	P	85.7	Confident	69.2	Low	37 Å²	37	83.5 Å²	83.5	24%	0.24	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	159.4	179.2	31.1	-34.7	0	0	0	110.2	A149 S150 N153 A174	A149-P170 CarbonylContact C-O 3.51Å; A149-P170 WeakPolarHBondContact CA-O 3.36Å; S150-P170 PolarHBondContact N-O 3.49Å; N153-P170 HydrophobicContact CB-CG 3.52Å; N153-P170 WeakPolarHBondContact O-CD 3.35Å; P170-A174 HydrophobicContact CB-CB 4.49Å
171	K	82.9	Confident	66.7	Low	89 Å²	89	85.5 Å²	85.5	39%	0.387	47%	0.471	S	S	.	.	B	Isolated β-bridge	trans	-60.3	139.8	171.7	-169.6	174.5	-175.6	177.9	0	110.6	K97 W148 N173 A174	K97-K171 PolarHBondContact O-N 2.84Å; W148-K171 HydrophobicContact CB-CG 4.48Å; W148-K171 HydrophobicContact CE3-CB 4.03Å; W148-K171 HydrophobicContact CE3-CG 4.02Å; W148-K171 HydrophobicContact CZ3-CB 4.41Å; W148-K171 CarbonylContact O-C 3.59Å; W148-K171 VanDerWaalsContact O-CA 3.27Å; W148-K171 WeakPolarHBondContact O-CA 3.42Å; W148-K171 WeakPolarHBondContact O-CG 3.49Å; K171-N173 PolarHBondContact O-N 3.36Å; K171-A174 WeakPolarHBondContact O-CB 3.34Å; K171-A174 PolarHBondContact O-N 3.38Å
172	T	73.4	Confident	64.3	Low	77 Å²	77	86.8 Å²	86.8	47%	0.472	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-26.4	-179.4	47.5	0	0	0	0	114	W148	W148-T172 PolarHBondContact O-N 3.21Å; W148-T172 PolarHBondContact O-OG1 3.42Å
173	N	61.9	Low	61.6	Low	129 Å²	129	89.2 Å²	89.2	69%	0.69	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.9	23.5	178.4	-61.4	-14.6	0	0	0	113.5	K171 V175	K171-N173 PolarHBondContact O-N 3.36Å; N173-V175 PolarHBondContact O-N 3.42Å
174	A	50	Low	59.5	Low	63 Å²	63	97.9 Å²	97.9	52%	0.521	53%	0.527	S	S	.	.			trans	-70.5	84	170.1	0	0	0	0	0	108.5	P170 K171 S176	P170-A174 HydrophobicContact CB-CB 4.49Å; K171-A174 WeakPolarHBondContact O-CB 3.34Å; K171-A174 PolarHBondContact O-N 3.38Å; A174-S176 PolarHBondContact O-N 3.29Å; A174-S176 VanDerWaalsContact O-N 3.16Å
175	V	37.4	Very low	57.9	Low	129 Å²	129	101.7 Å²	101.7	78%	0.782	55%	0.548	S	S	*	.			trans	-38.6	123	164.1	-179.5	0	0	0	0	107.4	N173 L177	N173-V175 PolarHBondContact O-N 3.42Å; V175-L177 PolarHBondContact O-N 3.15Å; V175-L177 VanDerWaalsContact O-N 3.14Å
176	S	36	Very low	56.1	Low	73 Å²	73	107 Å²	107	51%	0.51	58%	0.576	S	S	.	*			trans	-49	125.7	176.8	63.2	0	0	0	0	108	A174 Q178	A174-S176 PolarHBondContact O-N 3.29Å; A174-S176 VanDerWaalsContact O-N 3.16Å; S176-Q178 PolarHBondContact O-N 3.22Å; S176-Q178 PolarHBondContact OG-OE1 2.84Å
177	L	35.4	Very low	54.3	Low	174 Å²	174	111.2 Å²	111.2	91%	0.911	60%	0.6	S	S	*	*			trans	-72.8	61.6	158.5	-79.9	161	0	0	0	107	V175 T179	V175-L177 PolarHBondContact O-N 3.15Å; V175-L177 VanDerWaalsContact O-N 3.14Å; L177-T179 PolarHBondContact O-N 3.22Å
178	Q	34.8	Very low	52.2	Low	154 Å²	154	117.8 Å²	117.8	72%	0.72	64%	0.635	S	S	*	*			trans	-71.8	105.5	156.3	-90.2	176.8	-52.8	0	0	105.4	S176 C180	S176-Q178 PolarHBondContact O-N 3.22Å; S176-Q178 PolarHBondContact OG-OE1 2.84Å; Q178-C180 PolarHBondContact O-N 3.09Å; Q178-C180 VanDerWaalsContact O-N 3.09Å
179	T	32.5	Very low	50	Low	118 Å²	118	121.8 Å²	121.8	72%	0.724	66%	0.659	S	S	*	*			trans	-7.4	101.5	155.9	43.3	0	0	0	0	113.8	L177 S181	L177-T179 PolarHBondContact O-N 3.22Å; T179-S181 PolarHBondContact O-N 2.9Å
180	C	30	Very low	47.6	Very low	128 Å²	128	129.9 Å²	129.9	87%	0.865	70%	0.703	S	S	*	*			trans	-69.3	80.5	152.9	-71.5	0	0	0	0	107.6	Q178 R182	Q178-C180 PolarHBondContact O-N 3.09Å; Q178-C180 VanDerWaalsContact O-N 3.09Å; C180-R182 PolarHBondContact O-N 2.99Å
181	S	34.9	Very low	44.8	Very low	103 Å²	103	136.6 Å²	136.6	72%	0.72	74%	0.736	S	S	*	*			trans	-67.7	89.7	155.6	-56.5	0	0	0	0	106.1	T179 H183	T179-S181 PolarHBondContact O-N 2.9Å; S181-H183 PolarHBondContact O-N 3.09Å; S181-H183 VanDerWaalsContact O-N 3.09Å
182	R	41	Very low	41.9	Very low	230 Å²	230	140.2 Å²	140.2	87%	0.868	76%	0.763	S	S	*	*			trans	-73.6	98.7	176.1	-143.9	178.6	-173.4	-179.3	-0.4	106.9	C180 M184	C180-R182 PolarHBondContact O-N 2.99Å; R182-M184 PolarHBondContact O-N 3.39Å
183	H	33.7	Very low	39.3	Very low	191 Å²	191	145.5 Å²	145.5	88%	0.884	79%	0.787	S	S	*	*			trans	-67.5	113.2	155.5	-93.6	-15	0	0	0	107.8	S181	S181-H183 PolarHBondContact O-N 3.09Å; S181-H183 VanDerWaalsContact O-N 3.09Å
184	M	43.5	Very low	37.2	Very low	254 Å²	254	147 Å²	147	100%	1.251	80%	0.796	S	S	*	*			trans	-147.7	0	141.4	-79.9	-163	170.2	0	0	107.3	R182	R182-M184 PolarHBondContact O-N 3.39Å

Retrieved 184 of 184 residues in 143.7 ms (Link to these results)

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