A0A913KVM2_SCHMA Loading...

RRM domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A913KVM2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 223 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	55.8	Low	56.9	Low	246 Å²	246	144.5 Å²	144.5	100%	1.212	80%	0.803	S	S	*	*				0	123.6	0	-81.2	163.1	167.2	0	0	105.4
2	S	43.5	Very low	56.3	Low	97 Å²	97	149 Å²	149	68%	0.678	81%	0.809	S	S	*	*			trans	-118.6	160.7	-153.6	-33.1	0	0	0	0	111.4
3	D	54.1	Low	56.2	Low	135 Å²	135	150.9 Å²	150.9	72%	0.722	81%	0.808	S	S	*	*			trans	53.8	114.9	145.4	-41.4	-31.4	0	0	0	119.2
4	Y	67.5	Low	55.7	Low	236 Å²	236	145.5 Å²	145.5	93%	0.925	81%	0.806	S	S	*	*			trans	-132.3	117.5	137	-95.6	-85.9	0	0	0	108.4
5	V	57.8	Low	55.2	Low	109 Å²	109	146.3 Å²	146.3	66%	0.661	81%	0.808	S	S	*	*			trans	-120.7	146.3	171.4	179.3	0	0	0	0	106.9
6	L	66.7	Low	55.3	Low	167 Å²	167	148.1 Å²	148.1	87%	0.874	81%	0.809	S	S	*	*			trans	-144.3	115.7	176.2	-104.4	168.1	0	0	0	109.7
7	D	55.4	Low	54.8	Low	153 Å²	153	149.6 Å²	149.6	82%	0.818	81%	0.806	S	S	*	*			trans	-102.5	163.5	-178.9	-60.9	-69.8	0	0	0	112.7
8	G	58.2	Low	54.7	Low	70 Å²	70	146.8 Å²	146.8	72%	0.722	80%	0.795	S	S	*	*			trans	146	110.5	175.6	0	0	0	0	0	111
9	D	60	Low	54.6	Low	141 Å²	141	146.9 Å²	146.9	75%	0.754	80%	0.795	S	S	*	*			cis	69.5	121.9	37.2	-150.1	46.2	0	0	0	111.5
10	Q	56.6	Low	54.6	Low	170 Å²	170	147.7 Å²	147.7	79%	0.794	79%	0.793	S	S	*	*			cis	-131.5	168	16.2	-71.3	170.9	1.2	0	0	111.8
11	G	50.4	Low	54.3	Low	65 Å²	65	147.2 Å²	147.2	67%	0.67	79%	0.79	S	S	*	*			cis	121.8	124.4	1.9	0	0	0	0	0	113
12	F	50.2	Low	54	Low	199 Å²	199	142 Å²	142	87%	0.873	76%	0.763	S	S	*	*			trans	-158.8	-172.9	179.2	-155	-115	0	0	0	114.6
13	H	53.9	Low	54.5	Low	174 Å²	174	144.2 Å²	144.2	81%	0.806	76%	0.76	S	S	*	*			trans	-139.5	170.7	-170.8	-71.2	-1.2	0	0	0	114.2
14	G	50	Low	54.1	Low	75 Å²	75	145.8 Å²	145.8	77%	0.773	76%	0.764	S	S	*	*			trans	113.2	92.1	170.7	0	0	0	0	0	113.4
15	D	48.2	Very low	53.3	Low	158 Å²	158	141.7 Å²	141.7	85%	0.845	76%	0.758	S	S	*	*			cis	100.6	150.3	19.8	-150.3	3.7	0	0	0	114.8
16	E	56.3	Low	52.7	Low	175 Å²	175	145 Å²	145	82%	0.818	77%	0.772	S	S	*	*			trans	65.2	146.5	-175.5	-68.3	-168.9	121.3	0	0	118.6
17	F	47.4	Very low	52	Low	174 Å²	174	140.3 Å²	140.3	76%	0.763	76%	0.763	S	S	*	*			cis	-161.9	128.8	-21.5	-177.3	-103.2	0	0	0	111.8
18	V	53.5	Low	51.7	Low	98 Å²	98	137.4 Å²	137.4	59%	0.594	75%	0.751	S	S	*	*			trans	16.3	132.3	145.1	178.4	0	0	0	0	121.2
19	D	52.9	Low	51.3	Low	150 Å²	150	137.5 Å²	137.5	80%	0.802	75%	0.745	S	S	*	*				-154.4	161.6	114.9	-144.9	-11.5	0	0	0	113.1
20	E	52.8	Low	50.9	Low	162 Å²	162	137.5 Å²	137.5	76%	0.757	75%	0.745	S	S	*	*			trans	-99.4	-173.1	-170	-58.2	-175.5	137.1	0	0	114.2
21	N	48.9	Very low	50.5	Low	138 Å²	138	137.1 Å²	137.1	74%	0.738	74%	0.743	S	S	*	*			trans	95.2	135.6	176.9	-59.3	-85.3	0	0	0	115
22	E	50.1	Low	50.6	Low	137 Å²	137	140 Å²	140	64%	0.64	74%	0.741	S	S	*	*			cis	164.5	153.5	-14.3	-113.9	-164.1	153.7	0	0	103.7
23	K	53.8	Low	50.8	Low	142 Å²	142	136.3 Å²	136.3	62%	0.617	73%	0.726	S	S	*	*			trans	70.2	110.8	168.4	-73.1	135.8	-168.7	154.4	0	117
24	E	46.1	Very low	50.8	Low	169 Å²	169	135.1 Å²	135.1	79%	0.79	72%	0.719	S	S	*	*				83.9	90.1	76.4	-77.3	165.5	-145.4	0	0	113.1
25	D	50.9	Low	51.7	Low	150 Å²	150	136.5 Å²	136.5	80%	0.802	71%	0.708	S	S	*	*			trans	-169.7	53.8	135.8	-134.2	-14.7	0	0	0	113.8	G27	D25-G27 PolarHBondContact O-N 3.06Å; D25-G27 VanDerWaalsContact O-N 3.11Å
26	D	44.9	Very low	53	Low	178 Å²	178	131.9 Å²	131.9	95%	0.952	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	96.7	177.9	-69.9	-57.8	0	0	0	111.9
27	G	50.6	Low	53.7	Low	68 Å²	68	128.3 Å²	128.3	70%	0.701	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	175.9	-18.6	170.8	0	0	0	0	0	119.5	D25	D25-G27 PolarHBondContact O-N 3.06Å; D25-G27 VanDerWaalsContact O-N 3.11Å
28	V	50.7	Low	54.9	Low	93 Å²	93	123.4 Å²	123.4	56%	0.564	66%	0.657	S	S	*	*	S	Bend	trans	-112.7	-17.9	-170.8	-173.5	0	0	0	0	113.9	D30	V28-D30 PolarHBondContact O-N 3.3Å
29	A	49	Very low	56.2	Low	71 Å²	71	125.2 Å²	125.2	59%	0.587	66%	0.659	S	S	*	*	H	α-helix	trans	-69.2	-33	-174.1	0	0	0	0	0	114.4	M32 H33	A29-M32 PolarHBondContact O-N 3.26Å; A29-H33 PolarHBondContact O-N 2.91Å
30	D	50.9	Low	57.7	Low	142 Å²	142	120.8 Å²	120.8	76%	0.759	64%	0.643	S	S	*	*	H	α-helix	trans	-70	-39.1	-171.4	-123.1	22.9	0	0	0	112.6	V28 H33 F34	V28-D30 PolarHBondContact O-N 3.3Å; D30-H33 PolarHBondContact O-N 2.93Å; D30-F34 PolarHBondContact O-N 3.08Å; D30-F34 VanDerWaalsContact O-N 3.15Å
31	E	49.3	Very low	59	Low	161 Å²	161	118.1 Å²	118.1	75%	0.752	63%	0.633	S	S	*	*	H	α-helix	trans	-65.8	-39.8	173.5	-69.4	-162.4	147.8	0	0	111.4	H33 F34 D35	E31-H33 VanDerWaalsContact C-N 3.31Å; E31-H33 PolarHBondContact O-N 3.47Å; E31-F34 PolarHBondContact O-N 3.42Å; E31-D35 PolarHBondContact O-N 3.28Å
32	M	52.3	Low	60.7	Low	127 Å²	127	116.8 Å²	116.8	63%	0.626	62%	0.621	S	S	*	*	H	α-helix	trans	-65.3	-32.9	177.2	-64.9	-161.5	-59.2	0	0	112.9	A29 A36	A29-M32 PolarHBondContact O-N 3.26Å; M32-A36 WeakPolarHBondContact O-CB 3.27Å; M32-A36 PolarHBondContact O-N 2.85Å; M32-A36 VanDerWaalsContact O-N 3.13Å
33	H	53.7	Low	62.5	Low	120 Å²	120	116.1 Å²	116.1	56%	0.556	62%	0.617	S	S	*	*	H	α-helix	trans	-67.9	-42	173.9	-161.2	-73.9	0	0	0	111.2	A29 D30 E31 A36 E37	A29-H33 PolarHBondContact O-N 2.91Å; D30-H33 PolarHBondContact O-N 2.93Å; E31-H33 VanDerWaalsContact C-N 3.31Å; E31-H33 PolarHBondContact O-N 3.47Å; H33-A36 PolarHBondContact O-N 2.74Å; H33-E37 IonicContact CE1-OE1 3.16Å; H33-E37 PolarHBondContact CE1-OE1 3.1Å; H33-E37 IonicContact ND1-OE1 2.91Å; H33-E37 PolarHBondContact ND1-OE1 3.05Å; H33-E37 PolarHBondContact O-N 3.17Å; H33-E37 VanDerWaalsContact O-N 3.08Å
34	F	53.9	Low	63.8	Low	150 Å²	150	117.6 Å²	117.6	66%	0.658	62%	0.619	S	S	*	*	H	α-helix	trans	-67.8	-39.2	179.5	-144.8	-87.9	0	0	0	112.5	D30 E31 L38	D30-F34 PolarHBondContact O-N 3.08Å; D30-F34 VanDerWaalsContact O-N 3.15Å; E31-F34 PolarHBondContact O-N 3.42Å; F34-L38 VanDerWaalsContact O-CB 3.24Å; F34-L38 WeakPolarHBondContact O-CB 3.3Å; F34-L38 PolarHBondContact O-N 3.34Å
35	D	69.9	Low	65.6	Low	103 Å²	103	115.5 Å²	115.5	55%	0.551	61%	0.608	S	S	*	*	H	α-helix	trans	-67.2	-37.7	174.9	-97.9	-21.9	0	0	0	112.4	E31 L38 E39	E31-D35 PolarHBondContact O-N 3.28Å; D35-L38 PolarHBondContact O-N 3.31Å; D35-E39 WeakPolarHBondContact O-CB 3.49Å; D35-E39 PolarHBondContact O-N 2.91Å
36	A	74.6	Confident	67.3	Low	61 Å²	61	115.3 Å²	115.3	50%	0.504	60%	0.6	S	S	.	*	H	α-helix	trans	-65.5	-43.8	176	0	0	0	0	0	112.5	M32 H33 L38 E39 A40	M32-A36 WeakPolarHBondContact O-CB 3.27Å; M32-A36 PolarHBondContact O-N 2.85Å; M32-A36 VanDerWaalsContact O-N 3.13Å; H33-A36 PolarHBondContact O-N 2.74Å; A36-L38 VanDerWaalsContact C-N 3.33Å; A36-E39 PolarHBondContact O-N 2.76Å; A36-A40 PolarHBondContact O-N 3.2Å
37	E	72	Confident	69.2	Low	101 Å²	101	113 Å²	113	47%	0.472	58%	0.583	S	S	.	*	H	α-helix	trans	-61.5	-42.7	171.8	-74.3	-171.6	-172.4	0	0	111.5	H33 E39 A40 I41	H33-E37 IonicContact CE1-OE1 3.16Å; H33-E37 PolarHBondContact CE1-OE1 3.1Å; H33-E37 IonicContact ND1-OE1 2.91Å; H33-E37 PolarHBondContact ND1-OE1 3.05Å; H33-E37 PolarHBondContact O-N 3.17Å; H33-E37 VanDerWaalsContact O-N 3.08Å; E37-E39 VanDerWaalsContact C-N 3.33Å; E37-E39 PolarHBondContact O-N 3.34Å; E37-A40 PolarHBondContact O-N 3.41Å; E37-I41 WeakPolarHBondContact O-CB 3.3Å; E37-I41 WeakPolarHBondContact O-CD1 3.35Å; E37-I41 VanDerWaalsContact O-CG1 3.25Å; E37-I41 WeakPolarHBondContact O-CG1 3.19Å; E37-I41 PolarHBondContact O-N 2.9Å
38	L	72.6	Confident	70.7	Confident	70 Å²	70	114.1 Å²	114.1	37%	0.366	57%	0.572	S	S	.	*	H	α-helix	trans	-65.7	-34.3	179	-174.4	65.9	0	0	0	112.2	F34 D35 A36 K42	F34-L38 VanDerWaalsContact O-CB 3.24Å; F34-L38 WeakPolarHBondContact O-CB 3.3Å; F34-L38 PolarHBondContact O-N 3.34Å; D35-L38 PolarHBondContact O-N 3.31Å; A36-L38 VanDerWaalsContact C-N 3.33Å; L38-K42 WeakPolarHBondContact O-CD 3.41Å; L38-K42 WeakPolarHBondContact O-CG 3.45Å; L38-K42 PolarHBondContact O-N 3.5Å
39	E	80.9	Confident	72.1	Confident	136 Å²	136	114.7 Å²	114.7	64%	0.636	57%	0.568	S	S	*	*	H	α-helix	trans	-69.9	-43.8	173.6	-171.2	150.3	-120.9	0	0	112.3	D35 A36 E37 I41 K42 E43	D35-E39 WeakPolarHBondContact O-CB 3.49Å; D35-E39 PolarHBondContact O-N 2.91Å; A36-E39 PolarHBondContact O-N 2.76Å; E37-E39 VanDerWaalsContact C-N 3.33Å; E37-E39 PolarHBondContact O-N 3.34Å; E39-I41 VanDerWaalsContact C-N 3.29Å; E39-I41 PolarHBondContact O-N 2.74Å; E39-K42 WeakPolarHBondContact O-CB 3.4Å; E39-K42 PolarHBondContact O-N 2.77Å; E39-K42 VanDerWaalsContact O-N 3.14Å; E39-E43 PolarHBondContact O-N 3.48Å
40	A	83.8	Confident	73.7	Confident	58 Å²	58	113.3 Å²	113.3	48%	0.479	56%	0.557	S	S	.	*	H	α-helix	trans	-60.2	-37.7	172.7	0	0	0	0	0	112.5	A36 E37 R44	A36-A40 PolarHBondContact O-N 3.2Å; E37-A40 PolarHBondContact O-N 3.41Å; A40-R44 WeakPolarHBondContact O-CB 3.18Å; A40-R44 PolarHBondContact O-N 2.7Å
41	I	80.2	Confident	75	Confident	105 Å²	105	110.7 Å²	110.7	54%	0.538	54%	0.543	S	S	.	.	H	α-helix	trans	-66.4	-42.5	174.1	-70.3	164.5	0	0	0	111.3	E37 E39 F45	E37-I41 WeakPolarHBondContact O-CB 3.3Å; E37-I41 WeakPolarHBondContact O-CD1 3.35Å; E37-I41 VanDerWaalsContact O-CG1 3.25Å; E37-I41 WeakPolarHBondContact O-CG1 3.19Å; E37-I41 PolarHBondContact O-N 2.9Å; E39-I41 VanDerWaalsContact C-N 3.29Å; E39-I41 PolarHBondContact O-N 2.74Å; I41-F45 WeakPolarHBondContact O-CB 3.46Å; I41-F45 PolarHBondContact O-N 3.39Å
42	K	84.2	Confident	76.5	Confident	111 Å²	111	105.5 Å²	105.5	48%	0.483	53%	0.528	S	S	.	.	H	α-helix	trans	-62.5	-42.8	175.2	-72	160.2	-171.7	149.4	0	111.6	L38 E39 F45 K46	L38-K42 WeakPolarHBondContact O-CD 3.41Å; L38-K42 WeakPolarHBondContact O-CG 3.45Å; L38-K42 PolarHBondContact O-N 3.5Å; E39-K42 WeakPolarHBondContact O-CB 3.4Å; E39-K42 PolarHBondContact O-N 2.77Å; E39-K42 VanDerWaalsContact O-N 3.14Å; K42-F45 PolarHBondContact O-N 3.5Å; K42-K46 WeakPolarHBondContact O-CB 3.42Å; K42-K46 PolarHBondContact O-N 2.73Å
43	E	87.4	Confident	77.9	Confident	122 Å²	122	104.3 Å²	104.3	57%	0.57	52%	0.524	S	S	*	.	H	α-helix	trans	-63.4	-49.3	177.8	-178	158.3	-122.5	0	0	111.4	E39 F45 K46 E47	E39-E43 PolarHBondContact O-N 3.48Å; E43-F45 VanDerWaalsContact C-N 3.26Å; E43-F45 PolarHBondContact O-N 3.19Å; E43-K46 WeakPolarHBondContact O-CB 3.24Å; E43-K46 PolarHBondContact O-N 3.49Å; E43-K46 VanDerWaalsContact O-N 3.1Å; E43-E47 PolarHBondContact O-N 3.4Å
44	R	82.1	Confident	79.2	Confident	174 Å²	174	104.4 Å²	104.4	66%	0.657	52%	0.523	S	S	*	.	H	α-helix	trans	-57.1	-39.2	174.1	-172.6	-173.8	178.1	-137.1	-1.2	112.4	A40 E47 I48	A40-R44 WeakPolarHBondContact O-CB 3.18Å; A40-R44 PolarHBondContact O-N 2.7Å; R44-E47 PolarHBondContact O-N 3.5Å; R44-I48 HydrophobicContact CG-CD1 4.11Å; R44-I48 VanDerWaalsContact O-CG1 3.29Å; R44-I48 WeakPolarHBondContact O-CG1 3.43Å; R44-I48 PolarHBondContact O-N 3.24Å; R44-I48 VanDerWaalsContact O-N 3.08Å
45	F	84.4	Confident	80.1	Confident	125 Å²	125	102.8 Å²	102.8	55%	0.548	52%	0.52	S	S	.	.	H	α-helix	trans	-65.6	-41.3	177.8	-155.4	-89.8	0	0	0	111.7	I41 K42 E43 I48 E49	I41-F45 WeakPolarHBondContact O-CB 3.46Å; I41-F45 PolarHBondContact O-N 3.39Å; K42-F45 PolarHBondContact O-N 3.5Å; E43-F45 VanDerWaalsContact C-N 3.26Å; E43-F45 PolarHBondContact O-N 3.19Å; F45-I48 PolarHBondContact O-N 2.85Å; F45-E49 HydrophobicContact CD1-CG 4.01Å; F45-E49 HydrophobicContact CE1-CG 4.02Å; F45-E49 WeakPolarHBondContact CE1-OE1 3.48Å; F45-E49 WeakPolarHBondContact O-CG 3.46Å; F45-E49 PolarHBondContact O-N 3.47Å
46	K	87	Confident	80.4	Confident	146 Å²	146	102.8 Å²	102.8	64%	0.635	52%	0.517	S	S	*	.	H	α-helix	trans	-64.3	-36	175.8	177.6	-172.7	174.1	-165.9	0	112.8	K42 E43 A50	K42-K46 WeakPolarHBondContact O-CB 3.42Å; K42-K46 PolarHBondContact O-N 2.73Å; E43-K46 WeakPolarHBondContact O-CB 3.24Å; E43-K46 PolarHBondContact O-N 3.49Å; E43-K46 VanDerWaalsContact O-N 3.1Å; K46-A50 WeakPolarHBondContact O-CB 3.32Å; K46-A50 PolarHBondContact O-N 2.78Å
47	E	84.3	Confident	80.6	Confident	130 Å²	130	104.1 Å²	104.1	61%	0.607	52%	0.516	S	S	*	.	H	α-helix	trans	-64.6	-47	170.5	-67.6	-169.2	135.8	0	0	111.8	E43 R44 E49 A50 D51	E43-E47 PolarHBondContact O-N 3.4Å; R44-E47 PolarHBondContact O-N 3.5Å; E47-E49 VanDerWaalsContact C-N 3.33Å; E47-E49 PolarHBondContact O-N 2.94Å; E47-A50 WeakPolarHBondContact O-CB 3.21Å; E47-A50 PolarHBondContact O-N 2.97Å; E47-A50 VanDerWaalsContact O-N 3.13Å; E47-D51 PolarHBondContact O-N 2.94Å
48	I	82.1	Confident	80.6	Confident	90 Å²	90	104.4 Å²	104.4	46%	0.462	52%	0.52	S	S	.	.	H	α-helix	trans	-61.3	-40.6	177.6	-68.5	166.4	0	0	0	111.1	R44 F45 D51 A52	R44-I48 HydrophobicContact CG-CD1 4.11Å; R44-I48 VanDerWaalsContact O-CG1 3.29Å; R44-I48 WeakPolarHBondContact O-CG1 3.43Å; R44-I48 PolarHBondContact O-N 3.24Å; R44-I48 VanDerWaalsContact O-N 3.08Å; F45-I48 PolarHBondContact O-N 2.85Å; I48-D51 PolarHBondContact O-N 3.35Å; I48-A52 VanDerWaalsContact O-CB 3.22Å; I48-A52 WeakPolarHBondContact O-CB 3.25Å; I48-A52 PolarHBondContact O-N 3.38Å
49	E	79.4	Confident	80.8	Confident	105 Å²	105	108.8 Å²	108.8	49%	0.491	53%	0.532	S	S	.	.	H	α-helix	trans	-64.2	-41.6	172.8	-75.5	-169.9	158.8	0	0	112.3	F45 E47 D51 A52 N53	F45-E49 HydrophobicContact CD1-CG 4.01Å; F45-E49 HydrophobicContact CE1-CG 4.02Å; F45-E49 WeakPolarHBondContact CE1-OE1 3.48Å; F45-E49 WeakPolarHBondContact O-CG 3.46Å; F45-E49 PolarHBondContact O-N 3.47Å; E47-E49 VanDerWaalsContact C-N 3.33Å; E47-E49 PolarHBondContact O-N 2.94Å; E49-D51 VanDerWaalsContact C-N 3.34Å; E49-D51 PolarHBondContact O-N 3.18Å; E49-A52 PolarHBondContact O-N 2.92Å; E49-N53 WeakPolarHBondContact O-CB 3.45Å; E49-N53 PolarHBondContact O-N 3.01Å; E49-N53 PolarHBondContact O-ND2 3.2Å
50	A	82	Confident	80.4	Confident	43 Å²	43	108.7 Å²	108.7	36%	0.355	53%	0.525	S	S	.	.	H	α-helix	trans	-62	-41.4	177.4	0	0	0	0	0	111.8	K46 E47 K54	K46-A50 WeakPolarHBondContact O-CB 3.32Å; K46-A50 PolarHBondContact O-N 2.78Å; E47-A50 WeakPolarHBondContact O-CB 3.21Å; E47-A50 PolarHBondContact O-N 2.97Å; E47-A50 VanDerWaalsContact O-N 3.13Å; A50-K54 VanDerWaalsContact O-CG 3.31Å; A50-K54 WeakPolarHBondContact O-CG 3.31Å; A50-K54 PolarHBondContact O-N 2.96Å; A50-K54 VanDerWaalsContact O-N 3.16Å
51	D	79.1	Confident	79.7	Confident	86 Å²	86	110.8 Å²	110.8	46%	0.46	53%	0.532	S	S	.	.	H	α-helix	trans	-74.3	-37.4	176.6	-83	1.5	0	0	0	113.1	E47 I48 E49 N53 K54 L55	E47-D51 PolarHBondContact O-N 2.94Å; I48-D51 PolarHBondContact O-N 3.35Å; E49-D51 VanDerWaalsContact C-N 3.34Å; E49-D51 PolarHBondContact O-N 3.18Å; D51-N53 VanDerWaalsContact C-N 3.29Å; D51-N53 PolarHBondContact O-N 2.75Å; D51-K54 PolarHBondContact O-N 3.38Å; D51-K54 WeakPolarHBondContact OD1-CD 3.19Å; D51-K54 WeakPolarHBondContact OD1-CE 3.28Å; D51-K54 IonicContact OD1-NZ 2.92Å; D51-K54 PolarHBondContact OD1-NZ 3.1Å; D51-L55 WeakPolarHBondContact O-CB 3.48Å; D51-L55 WeakPolarHBondContact O-CG 3.41Å; D51-L55 PolarHBondContact O-N 3.27Å
52	A	80.9	Confident	79	Confident	53 Å²	53	111 Å²	111	44%	0.438	53%	0.533	S	S	.	.	H	α-helix	trans	-59.9	-39.3	172.3	0	0	0	0	0	111.9	I48 E49 L55 H56	I48-A52 VanDerWaalsContact O-CB 3.22Å; I48-A52 WeakPolarHBondContact O-CB 3.25Å; I48-A52 PolarHBondContact O-N 3.38Å; E49-A52 PolarHBondContact O-N 2.92Å; A52-L55 PolarHBondContact O-N 3.44Å; A52-H56 WeakPolarHBondContact O-CB 3.03Å; A52-H56 PolarHBondContact O-N 3.16Å
53	N	81.9	Confident	77.9	Confident	102 Å²	102	112.2 Å²	112.2	55%	0.545	54%	0.541	S	S	.	.	H	α-helix	trans	-66.5	-44.3	174.9	-77.9	-57.1	0	0	0	112.3	E49 D51 L55 H56 D57	E49-N53 WeakPolarHBondContact O-CB 3.45Å; E49-N53 PolarHBondContact O-N 3.01Å; E49-N53 PolarHBondContact O-ND2 3.2Å; D51-N53 VanDerWaalsContact C-N 3.29Å; D51-N53 PolarHBondContact O-N 2.75Å; N53-L55 VanDerWaalsContact C-N 3.33Å; N53-L55 PolarHBondContact O-N 2.97Å; N53-H56 PolarHBondContact O-N 3.12Å; N53-D57 PolarHBondContact O-N 3.42Å
54	K	80.8	Confident	76.9	Confident	122 Å²	122	114.1 Å²	114.1	53%	0.53	55%	0.547	S	S	.	.	H	α-helix	trans	-56.7	-46.2	172.9	-66.6	165.2	-155.3	166.1	0	111.4	A50 D51 D57 L58	A50-K54 VanDerWaalsContact O-CG 3.31Å; A50-K54 WeakPolarHBondContact O-CG 3.31Å; A50-K54 PolarHBondContact O-N 2.96Å; A50-K54 VanDerWaalsContact O-N 3.16Å; D51-K54 PolarHBondContact O-N 3.38Å; D51-K54 WeakPolarHBondContact OD1-CD 3.19Å; D51-K54 WeakPolarHBondContact OD1-CE 3.28Å; D51-K54 IonicContact OD1-NZ 2.92Å; D51-K54 PolarHBondContact OD1-NZ 3.1Å; K54-D57 PolarHBondContact O-N 3.34Å; K54-L58 WeakPolarHBondContact O-CG 3.46Å; K54-L58 PolarHBondContact O-N 2.95Å
55	L	73.2	Confident	75.6	Confident	115 Å²	115	107.9 Å²	107.9	60%	0.602	53%	0.53	S	S	*	.	H	α-helix	trans	-64.9	-36.8	177.5	-72.4	171.8	0	0	0	112.6	D51 A52 N53 R59	D51-L55 WeakPolarHBondContact O-CB 3.48Å; D51-L55 WeakPolarHBondContact O-CG 3.41Å; D51-L55 PolarHBondContact O-N 3.27Å; A52-L55 PolarHBondContact O-N 3.44Å; N53-L55 VanDerWaalsContact C-N 3.33Å; N53-L55 PolarHBondContact O-N 2.97Å; L55-R59 VanDerWaalsContact O-CB 3.31Å; L55-R59 WeakPolarHBondContact O-CB 3.33Å; L55-R59 PolarHBondContact O-N 3.15Å
56	H	75.8	Confident	73.9	Confident	103 Å²	103	108.3 Å²	108.3	48%	0.477	55%	0.546	S	S	.	.	H	α-helix	trans	-64.4	-44.1	176.1	179.8	-92	0	0	0	111.8	A52 N53 R59 R60	A52-H56 WeakPolarHBondContact O-CB 3.03Å; A52-H56 PolarHBondContact O-N 3.16Å; N53-H56 PolarHBondContact O-N 3.12Å; H56-R59 WeakPolarHBondContact O-CB 3.47Å; H56-R59 PolarHBondContact O-N 2.71Å; H56-R60 VanDerWaalsContact O-CB 3.32Å; H56-R60 WeakPolarHBondContact O-CB 3.16Å; H56-R60 PolarHBondContact O-N 3.09Å
57	D	78.1	Confident	72.5	Confident	90 Å²	90	106.3 Å²	106.3	48%	0.481	54%	0.54	S	S	.	.	H	α-helix	trans	-69.4	-37.5	177.5	-84.2	-26.2	0	0	0	112.8	N53 K54 R59 R60 V61	N53-D57 PolarHBondContact O-N 3.42Å; K54-D57 PolarHBondContact O-N 3.34Å; D57-R59 PolarHBondContact O-N 3.18Å; D57-R60 WeakPolarHBondContact O-CB 3.49Å; D57-R60 PolarHBondContact O-N 2.6Å; D57-R60 VanDerWaalsContact O-N 3.16Å; D57-V61 WeakPolarHBondContact O-CG2 3.22Å; D57-V61 PolarHBondContact O-N 2.96Å
58	L	72.4	Confident	70.7	Confident	107 Å²	107	103 Å²	103	56%	0.56	53%	0.532	S	S	*	.	H	α-helix	trans	-58.8	-46.4	169.6	-71.1	172.4	0	0	0	111.5	K54 R60 V61 I62	K54-L58 WeakPolarHBondContact O-CG 3.46Å; K54-L58 PolarHBondContact O-N 2.95Å; L58-R60 VanDerWaalsContact C-N 3.28Å; L58-R60 PolarHBondContact O-N 3.16Å; L58-V61 PolarHBondContact O-N 3.4Å; L58-I62 WeakPolarHBondContact O-CG1 3.26Å; L58-I62 PolarHBondContact O-N 3.27Å
59	R	76	Confident	69.5	Low	162 Å²	162	104.6 Å²	104.6	61%	0.611	55%	0.546	S	S	*	.	H	α-helix	trans	-60	-38.1	174.4	-175.2	178.6	-177.8	120.5	-2	111.9	L55 H56 D57 I62 Q63	L55-R59 VanDerWaalsContact O-CB 3.31Å; L55-R59 WeakPolarHBondContact O-CB 3.33Å; L55-R59 PolarHBondContact O-N 3.15Å; H56-R59 WeakPolarHBondContact O-CB 3.47Å; H56-R59 PolarHBondContact O-N 2.71Å; D57-R59 PolarHBondContact O-N 3.18Å; R59-I62 PolarHBondContact O-N 2.87Å; R59-Q63 HydrophobicContact CG-CG 4.45Å; R59-Q63 WeakPolarHBondContact O-CB 3.23Å; R59-Q63 WeakPolarHBondContact O-CG 3.45Å; R59-Q63 PolarHBondContact O-N 2.63Å
60	R	73.9	Confident	68.3	Low	133 Å²	133	103.6 Å²	103.6	50%	0.502	55%	0.55	S	S	.	*	H	α-helix	trans	-70.8	-31.4	178.8	-162.7	179.7	-165.6	-175.3	6.9	112.9	H56 D57 L58 K64	H56-R60 VanDerWaalsContact O-CB 3.32Å; H56-R60 WeakPolarHBondContact O-CB 3.16Å; H56-R60 PolarHBondContact O-N 3.09Å; D57-R60 WeakPolarHBondContact O-CB 3.49Å; D57-R60 PolarHBondContact O-N 2.6Å; D57-R60 VanDerWaalsContact O-N 3.16Å; L58-R60 VanDerWaalsContact C-N 3.28Å; L58-R60 PolarHBondContact O-N 3.16Å; R60-K64 VanDerWaalsContact O-CG 3.28Å; R60-K64 WeakPolarHBondContact O-CG 3.41Å; R60-K64 PolarHBondContact O-N 3.13Å
61	V	68.3	Low	66.7	Low	103 Å²	103	106.4 Å²	106.4	62%	0.624	56%	0.556	S	S	*	*	H	α-helix	trans	-68	-47.7	169.3	171.2	0	0	0	0	110.2	D57 L58 Q63 K64 S65	D57-V61 WeakPolarHBondContact O-CG2 3.22Å; D57-V61 PolarHBondContact O-N 2.96Å; L58-V61 PolarHBondContact O-N 3.4Å; V61-Q63 PolarHBondContact O-N 2.94Å; V61-K64 PolarHBondContact O-N 2.89Å; V61-S65 PolarHBondContact O-N 3.12Å
62	I	65.3	Low	65.3	Low	109 Å²	109	105.7 Å²	105.7	56%	0.559	56%	0.555	S	S	*	*	H	α-helix	trans	-59.4	-48.1	178.3	-66.4	163.7	0	0	0	111	L58 R59 K64 S65	L58-I62 WeakPolarHBondContact O-CG1 3.26Å; L58-I62 PolarHBondContact O-N 3.27Å; R59-I62 PolarHBondContact O-N 2.87Å; I62-K64 PolarHBondContact O-N 2.66Å; I62-S65 WeakPolarHBondContact O-CB 3.48Å; I62-S65 PolarHBondContact O-N 3.24Å; I62-S65 PolarHBondContact O-OG 3.04Å
63	Q	62.2	Low	63.4	Low	136 Å²	136	111.7 Å²	111.7	64%	0.636	57%	0.571	S	S	*	*	H	α-helix	trans	-67.5	-16	179.1	-74.8	-176.2	-39.9	0	0	114.7	R59 V61	R59-Q63 HydrophobicContact CG-CG 4.45Å; R59-Q63 WeakPolarHBondContact O-CB 3.23Å; R59-Q63 WeakPolarHBondContact O-CG 3.45Å; R59-Q63 PolarHBondContact O-N 2.63Å; V61-Q63 PolarHBondContact O-N 2.94Å
64	K	65	Low	61.7	Low	163 Å²	163	114.7 Å²	114.7	71%	0.709	58%	0.58	S	S	*	*	H	α-helix	trans	-84.6	-12.3	172.1	-78.9	174	178.1	179.9	0	113.1	R60 V61 I62	R60-K64 VanDerWaalsContact O-CG 3.28Å; R60-K64 WeakPolarHBondContact O-CG 3.41Å; R60-K64 PolarHBondContact O-N 3.13Å; V61-K64 PolarHBondContact O-N 2.89Å; I62-K64 PolarHBondContact O-N 2.66Å
65	S	54.7	Low	60	Low	43 Å²	43	110.8 Å²	110.8	30%	0.301	57%	0.568	S	S	.	*	S	Bend	trans	-80.9	144.8	167.6	77.2	0	0	0	0	110.2	V61 I62 I67	V61-S65 PolarHBondContact O-N 3.12Å; I62-S65 WeakPolarHBondContact O-CB 3.48Å; I62-S65 PolarHBondContact O-N 3.24Å; I62-S65 PolarHBondContact O-OG 3.04Å; S65-I67 PolarHBondContact O-N 2.82Å; S65-I67 WeakPolarHBondContact OG-CD1 3.39Å; S65-I67 WeakPolarHBondContact OG-CG1 3.22Å
66	P	50.6	Low	58.7	Low	134 Å²	134	108.8 Å²	108.8	87%	0.87	57%	0.568	S	S	*	*			trans	-78.9	45.2	-177	34	-37.1	0	0	0	112.9
67	I	57.2	Low	57.2	Low	103 Å²	103	106.8 Å²	106.8	53%	0.528	57%	0.569	S	S	.	*			trans	-83.2	121.7	173.8	-65.4	177.9	0	0	0	107.6	S65	S65-I67 PolarHBondContact O-N 2.82Å; S65-I67 WeakPolarHBondContact OG-CD1 3.39Å; S65-I67 WeakPolarHBondContact OG-CG1 3.22Å
68	S	45.3	Very low	55.9	Low	62 Å²	62	108.2 Å²	108.2	43%	0.434	57%	0.573	S	S	.	*			trans	-68	138.2	-165.6	-60.3	0	0	0	0	112.1	S70 Q71	S68-S70 PolarHBondContact O-N 2.75Å; S68-Q71 WeakPolarHBondContact O-CB 3.5Å; S68-Q71 PolarHBondContact O-N 2.98Å
69	T	57.9	Low	54.8	Low	122 Å²	122	105.8 Å²	105.8	75%	0.748	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.7	-8.5	179.5	19.7	0	0	0	0	114.9	V72	T69-V72 WeakPolarHBondContact O-CG2 3.47Å
70	S	53.4	Low	53.8	Low	84 Å²	84	103.7 Å²	103.7	59%	0.587	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.1	-20.3	168.3	51.6	0	0	0	0	114.1	S68	S68-S70 PolarHBondContact O-N 2.75Å
71	Q	48.7	Very low	53	Low	103 Å²	103	100.3 Å²	100.3	48%	0.481	56%	0.558	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.1	-34.9	-176.2	-66.1	177.6	-31.1	0	0	112.2	S68 F73 F74 S75	S68-Q71 WeakPolarHBondContact O-CB 3.5Å; S68-Q71 PolarHBondContact O-N 2.98Å; Q71-F73 PolarHBondContact O-N 2.96Å; Q71-F73 VanDerWaalsContact O-N 3.14Å; Q71-F74 PolarHBondContact O-N 2.81Å; Q71-S75 WeakPolarHBondContact O-CB 3.44Å; Q71-S75 PolarHBondContact O-N 2.77Å; Q71-S75 PolarHBondContact O-OG 3.33Å
72	V	49.5	Very low	52.7	Low	71 Å²	71	99.3 Å²	99.3	43%	0.43	56%	0.556	S	S	.	*	H	α-helix	trans	-61.8	-25	-173	-61.3	0	0	0	0	114.8	T69 S75	T69-V72 WeakPolarHBondContact O-CG2 3.47Å; V72-S75 WeakPolarHBondContact CA-OG 3.25Å
73	F	41.6	Very low	52.9	Low	178 Å²	178	100.9 Å²	100.9	78%	0.781	57%	0.565	S	S	*	*	H	α-helix	trans	-80.3	-18.7	177.7	-74.6	-79.2	0	0	0	114	Q71	Q71-F73 PolarHBondContact O-N 2.96Å; Q71-F73 VanDerWaalsContact O-N 3.14Å
74	F	44.9	Very low	53.4	Low	166 Å²	166	98.2 Å²	98.2	73%	0.728	55%	0.554	S	S	*	*	H	α-helix	trans	-104.8	-34	175.6	-67.1	-79.6	0	0	0	112	Q71 A76	Q71-F74 PolarHBondContact O-N 2.81Å; F74-A76 PolarHBondContact O-N 2.91Å
75	S	46.8	Very low	54.4	Low	40 Å²	40	93 Å²	93	28%	0.28	54%	0.538	S	S	.	.	H	α-helix	trans	-69	-17.2	-177.6	67.3	0	0	0	0	114.3	Q71 V72 A77 E78 S79	Q71-S75 WeakPolarHBondContact O-CB 3.44Å; Q71-S75 PolarHBondContact O-N 2.77Å; Q71-S75 PolarHBondContact O-OG 3.33Å; V72-S75 WeakPolarHBondContact CA-OG 3.25Å; S75-A77 PolarHBondContact O-N 2.92Å; S75-A77 VanDerWaalsContact O-N 3.17Å; S75-E78 PolarHBondContact O-N 2.9Å; S75-S79 WeakPolarHBondContact O-CB 3.32Å; S75-S79 PolarHBondContact O-N 2.87Å; S75-S79 PolarHBondContact O-OG 2.88Å; S75-S79 VanDerWaalsContact O-OG 3.12Å
76	A	44.5	Very low	55.8	Low	72 Å²	72	96.8 Å²	96.8	60%	0.595	56%	0.555	S	S	*	*	H	α-helix	trans	-55.7	-33.8	-178.7	0	0	0	0	0	113.2	F74	F74-A76 PolarHBondContact O-N 2.91Å
77	A	45.6	Very low	57.5	Low	62 Å²	62	97.8 Å²	97.8	51%	0.512	55%	0.547	S	S	.	.	H	α-helix	trans	-81.5	-32.4	173.8	0	0	0	0	0	113.1	S75 R123	S75-A77 PolarHBondContact O-N 2.92Å; S75-A77 VanDerWaalsContact O-N 3.17Å; A77-R123 VanDerWaalsContact O-CZ 3.23Å; A77-R123 PolarHBondContact O-NH1 2.97Å; A77-R123 PolarHBondContact O-NH2 3.34Å
78	E	50.1	Low	59	Low	120 Å²	120	96 Å²	96	56%	0.561	54%	0.539	S	S	*	.	H	α-helix	trans	-88.2	-22	-172.2	-65	-173.8	119.5	0	0	113.8	S75 N80	S75-E78 PolarHBondContact O-N 2.9Å; E78-N80 PolarHBondContact O-N 3.2Å
79	S	49.1	Very low	61	Low	56 Å²	56	95.3 Å²	95.3	39%	0.392	53%	0.528	S	S	.	.	G	3₁₀ helix	trans	-72.4	-15.8	-175.6	-69.2	0	0	0	0	115.8	S75 N81 S82	S75-S79 WeakPolarHBondContact O-CB 3.32Å; S75-S79 PolarHBondContact O-N 2.87Å; S75-S79 PolarHBondContact O-OG 2.88Å; S75-S79 VanDerWaalsContact O-OG 3.12Å; S79-N81 PolarHBondContact O-N 2.81Å; S79-N81 VanDerWaalsContact O-N 3.1Å; S79-S82 PolarHBondContact O-N 3.49Å; S79-S82 VanDerWaalsContact O-N 3.15Å; S79-S82 PolarHBondContact O-OG 3.09Å
80	N	54.4	Low	62.5	Low	117 Å²	117	92.4 Å²	92.4	63%	0.626	51%	0.51	S	S	*	.	G	3₁₀ helix	trans	-59.5	-28.4	-178.6	-77.5	13.8	0	0	0	113.1	E78 S82	E78-N80 PolarHBondContact O-N 3.2Å; N80-S82 PolarHBondContact O-N 2.91Å
81	N	58.5	Low	64.3	Low	62 Å²	62	93 Å²	93	33%	0.332	50%	0.504	S	S	.	.	G	3₁₀ helix	trans	-86.8	0.5	-177.2	-149.6	10.8	0	0	0	114.4	S79 K89	S79-N81 PolarHBondContact O-N 2.81Å; S79-N81 VanDerWaalsContact O-N 3.1Å; N81-K89 WeakPolarHBondContact O-CE 3.43Å
82	S	62.1	Low	66.4	Low	83 Å²	83	89 Å²	89	58%	0.58	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-82.6	-19.5	172.9	61.7	0	0	0	0	113.7	S79 N80	S79-S82 PolarHBondContact O-N 3.49Å; S79-S82 VanDerWaalsContact O-N 3.15Å; S79-S82 PolarHBondContact O-OG 3.09Å; N80-S82 PolarHBondContact O-N 2.91Å
83	N	68.8	Low	68.5	Low	141 Å²	141	86.4 Å²	86.4	75%	0.754	47%	0.47	S	S	*	.	S	Bend	trans	-103	-13	-170	-61.3	3.7	0	0	0	113.3
84	M	73.1	Confident	71	Confident	81 Å²	81	82.6 Å²	82.6	40%	0.399	46%	0.457	S	S	.	.	S	Bend	trans	-68.8	155.4	174.7	-56.7	-52.3	-60.9	0	0	110.8	D88 K89	M84-D88 HydrophobicContact CB-CB 3.87Å; M84-D88 HydrophobicContact CE-CB 3.71Å; M84-K89 HydrophobicContact CB-CG 4.32Å; M84-K89 PolarHBondContact O-NZ 2.83Å
85	S	85.2	Confident	73.3	Confident	53 Å²	53	77.3 Å²	77.3	37%	0.371	43%	0.432	S	S	.	.			trans	-67.1	168.8	170.3	75.7	0	0	0	0	111	E87 D88 K89	S85-E87 VanDerWaalsContact C-N 3.27Å; S85-E87 PolarHBondContact OG-N 3.46Å; S85-D88 WeakPolarHBondContact CA-OD2 3.31Å; S85-D88 WeakPolarHBondContact CB-OD2 3.36Å; S85-D88 PolarHBondContact N-OD2 3.41Å; S85-D88 PolarHBondContact OG-N 2.82Å; S85-D88 VanDerWaalsContact OG-N 3.09Å; S85-D88 PolarHBondContact OG-OD2 2.68Å; S85-K89 VanDerWaalsContact O-CG 3.31Å; S85-K89 WeakPolarHBondContact O-CG 3.49Å; S85-K89 PolarHBondContact O-N 3.33Å; S85-K89 VanDerWaalsContact O-N 3.15Å; S85-K89 PolarHBondContact O-NZ 3.27Å
86	D	84.4	Confident	75.7	Confident	123 Å²	123	75.5 Å²	75.5	66%	0.658	42%	0.42	S	S	*	.	H	α-helix	trans	-72.7	-24	175.8	-69.9	-24.6	0	0	0	112	K89 T90	D86-K89 IonicContact OD1-NZ 2.83Å; D86-K89 PolarHBondContact OD1-NZ 3.05Å; D86-T90 WeakPolarHBondContact O-CG2 3.34Å; D86-T90 PolarHBondContact O-N 2.84Å
87	E	86.3	Confident	78.1	Confident	154 Å²	154	72 Å²	72	72%	0.72	39%	0.392	S	S	*	.	H	α-helix	trans	-68.7	-51.5	172.5	-63.5	178.6	174.4	0	0	110.2	S85 K89 T90 E91	S85-E87 VanDerWaalsContact C-N 3.27Å; S85-E87 PolarHBondContact OG-N 3.46Å; E87-K89 VanDerWaalsContact C-N 3.28Å; E87-K89 PolarHBondContact O-N 2.84Å; E87-T90 WeakPolarHBondContact O-CA 3.18Å; E87-T90 PolarHBondContact O-N 3.39Å; E87-T90 PolarHBondContact O-OG1 2.85Å; E87-E91 PolarHBondContact O-N 3.49Å
88	D	88.8	Confident	80.6	Confident	65 Å²	65	72.6 Å²	72.6	35%	0.348	38%	0.381	S	S	.	.	H	α-helix	trans	-53.6	-43.8	174.2	-61	-50.6	0	0	0	112.1	M84 S85 T90 E91 V92	M84-D88 HydrophobicContact CB-CB 3.87Å; M84-D88 HydrophobicContact CE-CB 3.71Å; S85-D88 WeakPolarHBondContact CA-OD2 3.31Å; S85-D88 WeakPolarHBondContact CB-OD2 3.36Å; S85-D88 PolarHBondContact N-OD2 3.41Å; S85-D88 PolarHBondContact OG-N 2.82Å; S85-D88 VanDerWaalsContact OG-N 3.09Å; S85-D88 PolarHBondContact OG-OD2 2.68Å; D88-T90 VanDerWaalsContact C-N 3.29Å; D88-T90 PolarHBondContact O-N 3.06Å; D88-E91 PolarHBondContact O-N 2.86Å; D88-E91 VanDerWaalsContact O-N 3.16Å; D88-V92 WeakPolarHBondContact O-CB 3.37Å; D88-V92 WeakPolarHBondContact O-CG2 3.48Å; D88-V92 PolarHBondContact O-N 2.84Å
89	K	88.4	Confident	82.8	Confident	49 Å²	49	66.9 Å²	66.9	21%	0.213	35%	0.354	C	S	.	.	H	α-helix	trans	-59.2	-41	176.2	-74.4	-179.2	-150.7	78.4	0	111.3	N81 M84 S85 D86 E87 D93	N81-K89 WeakPolarHBondContact O-CE 3.43Å; M84-K89 HydrophobicContact CB-CG 4.32Å; M84-K89 PolarHBondContact O-NZ 2.83Å; S85-K89 VanDerWaalsContact O-CG 3.31Å; S85-K89 WeakPolarHBondContact O-CG 3.49Å; S85-K89 PolarHBondContact O-N 3.33Å; S85-K89 VanDerWaalsContact O-N 3.15Å; S85-K89 PolarHBondContact O-NZ 3.27Å; D86-K89 IonicContact OD1-NZ 2.83Å; D86-K89 PolarHBondContact OD1-NZ 3.05Å; E87-K89 VanDerWaalsContact C-N 3.28Å; E87-K89 PolarHBondContact O-N 2.84Å; K89-D93 VanDerWaalsContact O-CB 3.28Å; K89-D93 WeakPolarHBondContact O-CB 3.24Å; K89-D93 VanDerWaalsContact O-CG 3.26Å; K89-D93 PolarHBondContact O-N 3.04Å
90	T	89.3	Confident	85	Confident	60 Å²	60	64.2 Å²	64.2	37%	0.368	34%	0.336	S	S	.	.	H	α-helix	trans	-69.5	-35	175.8	61	0	0	0	0	112.7	D86 E87 D88 D93 L94 T172	D86-T90 WeakPolarHBondContact O-CG2 3.34Å; D86-T90 PolarHBondContact O-N 2.84Å; E87-T90 WeakPolarHBondContact O-CA 3.18Å; E87-T90 PolarHBondContact O-N 3.39Å; E87-T90 PolarHBondContact O-OG1 2.85Å; D88-T90 VanDerWaalsContact C-N 3.29Å; D88-T90 PolarHBondContact O-N 3.06Å; T90-D93 PolarHBondContact O-N 2.98Å; T90-L94 WeakPolarHBondContact O-CB 3.39Å; T90-L94 WeakPolarHBondContact O-CG 3.48Å; T90-L94 PolarHBondContact O-N 3.43Å; T90-T172 HydrophobicContact CG2-CG2 3.94Å
91	E	91.4	Very high	87	Confident	97 Å²	97	62.4 Å²	62.4	45%	0.453	33%	0.326	S	S	.	.	H	α-helix	trans	-69.1	-40.5	175.9	-64.2	-128.2	121.8	0	0	112.6	E87 D88 L94 R95 R146	E87-E91 PolarHBondContact O-N 3.49Å; D88-E91 PolarHBondContact O-N 2.86Å; D88-E91 VanDerWaalsContact O-N 3.16Å; E91-L94 PolarHBondContact O-N 3.11Å; E91-R95 WeakPolarHBondContact O-CG 3.17Å; E91-R95 PolarHBondContact O-N 3.04Å; E91-R146 IonicContact OE1-CZ 3.85Å; E91-R146 IonicContact OE1-NH2 3.3Å; E91-R146 PolarHBondContact OE1-NH2 3.43Å; E91-R146 IonicContact OE2-NH2 3.65Å
92	V	92.5	Very high	88.7	Confident	18 Å²	18	59.5 Å²	59.5	11%	0.109	31%	0.31	C	S	.	.	H	α-helix	trans	-63.1	-43.6	170.9	167.3	0	0	0	0	110.8	D88 L94 R95 S96 E142	D88-V92 WeakPolarHBondContact O-CB 3.37Å; D88-V92 WeakPolarHBondContact O-CG2 3.48Å; D88-V92 PolarHBondContact O-N 2.84Å; V92-L94 PolarHBondContact O-N 2.77Å; V92-R95 CarbonylContact O-C 3.47Å; V92-R95 PolarHBondContact O-N 3.06Å; V92-S96 WeakPolarHBondContact O-CB 3.49Å; V92-S96 PolarHBondContact O-N 3.07Å; V92-S96 VanDerWaalsContact O-N 3.12Å; V92-S96 PolarHBondContact O-OG 3.14Å; V92-E142 HydrophobicContact CG1-CG 4.12Å
93	D	92.4	Very high	90.2	Very high	17 Å²	17	57 Å²	57	9%	0.091	29%	0.291	C	S	.	.	H	α-helix	trans	-64.1	-37.7	176.1	-80.2	-5.3	0	0	0	112.3	K89 T90 R95 S96 K170 T172	K89-D93 VanDerWaalsContact O-CB 3.28Å; K89-D93 WeakPolarHBondContact O-CB 3.24Å; K89-D93 VanDerWaalsContact O-CG 3.26Å; K89-D93 PolarHBondContact O-N 3.04Å; T90-D93 PolarHBondContact O-N 2.98Å; D93-R95 VanDerWaalsContact C-N 3.33Å; D93-S96 WeakPolarHBondContact O-CB 3.24Å; D93-S96 PolarHBondContact O-N 3.39Å; D93-S96 VanDerWaalsContact O-N 3.13Å; D93-K170 HydrophobicContact CB-CD 4.44Å; D93-K170 WeakPolarHBondContact OD1-CD 3.41Å; D93-K170 WeakPolarHBondContact OD1-CE 3.2Å; D93-K170 IonicContact OD1-NZ 2.73Å; D93-K170 PolarHBondContact OD1-NZ 3.28Å; D93-T172 HydrophobicContact CB-CG2 3.65Å; D93-T172 WeakPolarHBondContact OD2-CA 3.48Å
94	L	93.7	Very high	91.3	Very high	99 Å²	99	57.2 Å²	57.2	52%	0.518	28%	0.282	S	S	.	.	H	α-helix	trans	-69.3	-26.9	174.9	-75.1	168.1	0	0	0	113.3	T90 E91 V92 S96	T90-L94 WeakPolarHBondContact O-CB 3.39Å; T90-L94 WeakPolarHBondContact O-CG 3.48Å; T90-L94 PolarHBondContact O-N 3.43Å; E91-L94 PolarHBondContact O-N 3.11Å; V92-L94 PolarHBondContact O-N 2.77Å; L94-S96 VanDerWaalsContact C-N 3.32Å
95	R	94.7	Very high	92.2	Very high	54 Å²	54	55.3 Å²	55.3	20%	0.204	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	7.3	170.3	-67.5	-168.9	-66.3	161.6	6.6	113.5	E91 V92 D93 F143 D144 R146 V149	E91-R95 WeakPolarHBondContact O-CG 3.17Å; E91-R95 PolarHBondContact O-N 3.04Å; V92-R95 CarbonylContact O-C 3.47Å; V92-R95 PolarHBondContact O-N 3.06Å; D93-R95 VanDerWaalsContact C-N 3.33Å; R95-F143 WeakPolarHBondContact CB-O 3.32Å; R95-F143 PolarHBondContact O-N 2.82Å; R95-D144 WeakPolarHBondContact CD-O 3.49Å; R95-D144 PolarHBondContact NH1-O 2.92Å; R95-D144 IonicContact NH1-OD1 3.61Å; R95-D144 PolarHBondContact NH1-OD1 3.2Å; R95-R146 HydrophobicContact CG-CG 3.81Å; R95-V149 VanDerWaalsContact C-CG2 3.46Å; R95-V149 WeakPolarHBondContact O-CG2 3.36Å
96	S	95.7	Very high	92.6	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.014	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	148.2	-176.3	-67.6	0	0	0	0	113.7	V92 D93 L94 I141 K170	V92-S96 WeakPolarHBondContact O-CB 3.49Å; V92-S96 PolarHBondContact O-N 3.07Å; V92-S96 VanDerWaalsContact O-N 3.12Å; V92-S96 PolarHBondContact O-OG 3.14Å; D93-S96 WeakPolarHBondContact O-CB 3.24Å; D93-S96 PolarHBondContact O-N 3.39Å; D93-S96 VanDerWaalsContact O-N 3.13Å; L94-S96 VanDerWaalsContact C-N 3.32Å; S96-I141 CarbonylContact C-O 3.57Å; S96-I141 VanDerWaalsContact CA-O 3.23Å; S96-I141 WeakPolarHBondContact CA-O 3.28Å; S96-K170 VanDerWaalsContact O-CB 3.22Å; S96-K170 WeakPolarHBondContact O-CB 3.45Å; S96-K170 PolarHBondContact O-N 3.24Å
97	V	96.5	Very high	93	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	141.1	174.9	169.1	0	0	0	0	110.4	V99 Y140 I141 F143 V149 A152 V167	V97-V99 HydrophobicContact CG1-CG2 3.98Å; V97-Y140 VanDerWaalsContact O-CA 3.26Å; V97-Y140 WeakPolarHBondContact O-CA 3.1Å; V97-I141 PolarHBondContact N-O 2.96Å; V97-I141 PolarHBondContact O-N 3.3Å; V97-F143 HydrophobicContact CB-CE2 4.05Å; V97-F143 HydrophobicContact CG2-CD2 4.2Å; V97-F143 HydrophobicContact CG2-CE2 3.68Å; V97-V149 HydrophobicContact CG2-CB 4.21Å; V97-V149 HydrophobicContact CG2-CG1 3.72Å; V97-V149 HydrophobicContact CG2-CG2 4.33Å; V97-A152 HydrophobicContact CG2-CB 3.98Å; V97-V167 HydrophobicContact CG1-CG1 3.32Å
98	Y	96.8	Very high	93.3	Very high	73 Å²	73	45.2 Å²	45.2	29%	0.286	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	127.7	162.8	167.1	-92.1	0	0	0	109.4	F138 Y140 L168	Y98-F138 HydrophobicContact CD2-CD2 4.14Å; Y98-F138 HydrophobicContact CE2-CB 3.79Å; Y98-F138 AromaticContact CE2-CD2 3.59Å; Y98-F138 HydrophobicContact CE2-CD2 3.59Å; Y98-F138 HydrophobicContact CE2-CG 4.02Å; Y98-Y140 HydrophobicContact CD2-CD1 4.39Å; Y98-Y140 AromaticContact CD2-CE1 3.75Å; Y98-Y140 HydrophobicContact CD2-CE1 3.75Å; Y98-Y140 HydrophobicContact CG-CE1 4.39Å; Y98-L168 HydrophobicContact CD1-CB 4.25Å; Y98-L168 HydrophobicContact CD1-CD1 4.48Å; Y98-L168 PolarHBondContact N-O 3Å; Y98-L168 PolarHBondContact O-N 3.1Å
99	V	96.1	Very high	93.7	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	116.7	172.1	-169.6	0	0	0	0	108.6	V97 V102 F115 F138 A139 I141 L165 K166	V97-V99 HydrophobicContact CG1-CG2 3.98Å; V99-V102 HydrophobicContact CB-CG2 4.08Å; V99-V102 HydrophobicContact CG1-CG2 3.61Å; V99-F115 HydrophobicContact CG1-CE2 4.16Å; V99-F115 HydrophobicContact CG1-CZ 4.2Å; V99-F115 HydrophobicContact CG2-CE2 3.92Å; V99-F115 HydrophobicContact CG2-CZ 3.93Å; V99-F138 CarbonylContact O-C 3.51Å; V99-F138 WeakPolarHBondContact O-CA 3.28Å; V99-F138 WeakPolarHBondContact O-CB 3.45Å; V99-A139 PolarHBondContact N-O 2.9Å; V99-A139 PolarHBondContact O-N 3.35Å; V99-I141 HydrophobicContact CG2-CD1 3.87Å; V99-I141 HydrophobicContact CG2-CG1 4.2Å; V99-L165 HydrophobicContact CG1-CB 4.21Å; V99-L165 HydrophobicContact CG1-CD1 3.98Å; V99-L165 HydrophobicContact CG1-CD2 4.03Å; V99-L165 HydrophobicContact CG1-CG 4.3Å; V99-K166 CarbonylContact C-O 3.6Å; V99-K166 WeakPolarHBondContact CA-O 3.35Å
100	G	96	Very high	94	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.01	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	167.3	177.4	0	0	0	0	0	113.1	V102 K166	G100-V102 PolarHBondContact O-N 3.5Å; G100-K166 PolarHBondContact N-O 3.15Å; G100-K166 PolarHBondContact O-N 3.43Å
101	N	95.5	Very high	94.2	Very high	78 Å²	78	45.9 Å²	45.9	42%	0.417	24%	0.241	S	C	.	.	S	Bend	trans	58.4	19.6	-174.5	-163.5	33.2	0	0	0	115.1	G137 R163 Q164	N101-G137 PolarHBondContact N-O 3.18Å; N101-R163 PolarHBondContact O-NE 3.1Å; N101-R163 PolarHBondContact O-NH2 3.08Å; N101-R163 PolarHBondContact OD1-NH2 2.8Å; N101-Q164 WeakPolarHBondContact CB-O 3.46Å; N101-Q164 PolarHBondContact ND2-O 3.37Å
102	V	94.4	Very high	94.4	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.006	24%	0.235	C	C	.	.			trans	-56.3	145.4	174.3	-179	0	0	0	0	110	V99 G100 S106 L111 G137 F160 R163 L165	V99-V102 HydrophobicContact CB-CG2 4.08Å; V99-V102 HydrophobicContact CG1-CG2 3.61Å; G100-V102 PolarHBondContact O-N 3.5Å; V102-S106 WeakPolarHBondContact CG1-OG 3.48Å; V102-L111 HydrophobicContact CG1-CD1 4.22Å; V102-L111 HydrophobicContact CG1-CD2 4.12Å; V102-L111 HydrophobicContact CG2-CD2 4.49Å; V102-G137 PolarHBondContact N-O 3.46Å; V102-G137 VanDerWaalsContact O-CA 3.24Å; V102-G137 WeakPolarHBondContact O-CA 3.5Å; V102-F160 HydrophobicContact CG1-CE1 4.43Å; V102-R163 PolarHBondContact O-NH2 3.42Å; V102-L165 HydrophobicContact CG2-CD2 4.18Å
103	D	94	Very high	94.5	Very high	32 Å²	32	47.3 Å²	47.3	17%	0.171	26%	0.258	C	S	.	.			trans	-68.2	151.4	179.9	-171.7	44.5	0	0	0	113.6	G105 S106 R161 R163	D103-G105 PolarHBondContact O-N 2.8Å; D103-G105 PolarHBondContact OD2-N 2.88Å; D103-S106 PolarHBondContact O-N 3.5Å; D103-S106 PolarHBondContact O-OG 2.85Å; D103-R161 HydrophobicContact CB-CB 4.02Å; D103-R161 IonicContact OD2-CZ 2.64Å; D103-R161 VanDerWaalsContact OD2-CZ 3.3Å; D103-R161 IonicContact OD2-NE 2.63Å; D103-R161 PolarHBondContact OD2-NE 2.99Å; D103-R161 IonicContact OD2-NH2 3.37Å; D103-R161 PolarHBondContact OD2-NH2 2.78Å; D103-R163 IonicContact OD1-CZ 2.71Å; D103-R163 IonicContact OD1-NH1 3.96Å; D103-R163 PolarHBondContact OD1-NH1 2.85Å
104	Y	93.2	Very high	94.6	Very high	145 Å²	145	48.6 Å²	48.6	57%	0.569	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-11.4	-179.3	-55.1	-60.8	0	0	0	113.9	P135	Y104-P135 HydrophobicContact CD1-CG 4.46Å; Y104-P135 WeakPolarHBondContact CD1-O 3.35Å; Y104-P135 WeakPolarHBondContact O-CG 3.4Å
105	G	91.7	Very high	94.7	Very high	41 Å²	41	43.9 Å²	43.9	42%	0.423	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	14	173.2	0	0	0	0	0	114.6	D103 R161	D103-G105 PolarHBondContact O-N 2.8Å; D103-G105 PolarHBondContact OD2-N 2.88Å; G105-R161 VanDerWaalsContact C-CZ 3.46Å; G105-R161 VanDerWaalsContact C-NH2 3.25Å; G105-R161 VanDerWaalsContact O-CZ 3.26Å; G105-R161 PolarHBondContact O-NH1 3.34Å; G105-R161 PolarHBondContact O-NH2 2.95Å; G105-R161 VanDerWaalsContact O-NH2 3.17Å
106	S	92.1	Very high	94.7	Very high	16 Å²	16	49.3 Å²	49.3	11%	0.112	26%	0.259	C	S	.	.			trans	-71.6	137.3	-177.7	66.9	0	0	0	0	112.8	V102 D103 E110	V102-S106 WeakPolarHBondContact CG1-OG 3.48Å; D103-S106 PolarHBondContact O-N 3.5Å; D103-S106 PolarHBondContact O-OG 2.85Å; S106-E110 VanDerWaalsContact CA-OE2 3.32Å; S106-E110 WeakPolarHBondContact CA-OE2 3.44Å
107	T	93.7	Very high	94.6	Very high	61 Å²	61	53.7 Å²	53.7	37%	0.374	29%	0.29	S	S	.	.			trans	-88.4	168.9	168	67.9	0	0	0	0	111.7	D109 E110	T107-D109 VanDerWaalsContact C-N 3.32Å; T107-E110 PolarHBondContact N-OE2 3.04Å; T107-E110 WeakPolarHBondContact OG1-CG 3.46Å; T107-E110 PolarHBondContact OG1-N 3.08Å; T107-E110 VanDerWaalsContact OG1-N 3.09Å
108	A	93.4	Very high	94.5	Very high	40 Å²	40	54.7 Å²	54.7	33%	0.331	30%	0.297	S	S	.	.	H	α-helix	trans	-63.7	-42.8	170.2	0	0	0	0	0	110.5	E110 L111 E112 V124	A108-E110 VanDerWaalsContact C-N 3.34Å; A108-E110 PolarHBondContact O-N 3.15Å; A108-L111 WeakPolarHBondContact O-CB 3.09Å; A108-L111 PolarHBondContact O-N 3.32Å; A108-L111 VanDerWaalsContact O-N 3.11Å; A108-E112 PolarHBondContact O-N 3.46Å; A108-V124 HydrophobicContact CB-CB 4.22Å; A108-V124 HydrophobicContact CB-CG1 4.17Å
109	D	95.5	Very high	94.4	Very high	120 Å²	120	52 Å²	52	64%	0.642	29%	0.291	S	S	*	.	H	α-helix	trans	-60.2	-39.6	-178.2	-33.3	-4.3	0	0	0	112	T107 E112 A113	T107-D109 VanDerWaalsContact C-N 3.32Å; D109-E112 PolarHBondContact O-N 2.84Å; D109-A113 VanDerWaalsContact O-CB 3.28Å; D109-A113 WeakPolarHBondContact O-CB 3.37Å; D109-A113 PolarHBondContact O-N 3.4Å
110	E	95	Very high	94.4	Very high	69 Å²	69	55.6 Å²	55.6	32%	0.322	31%	0.314	S	S	.	.	H	α-helix	trans	-66.2	-38.3	175.3	-76.4	175.8	171.3	0	0	112.4	S106 T107 A108 H114 F160 R161	S106-E110 VanDerWaalsContact CA-OE2 3.32Å; S106-E110 WeakPolarHBondContact CA-OE2 3.44Å; T107-E110 PolarHBondContact N-OE2 3.04Å; T107-E110 WeakPolarHBondContact OG1-CG 3.46Å; T107-E110 PolarHBondContact OG1-N 3.08Å; T107-E110 VanDerWaalsContact OG1-N 3.09Å; A108-E110 VanDerWaalsContact C-N 3.34Å; A108-E110 PolarHBondContact O-N 3.15Å; E110-H114 PolarHBondContact O-N 3.35Å; E110-H114 VanDerWaalsContact O-N 3.17Å; E110-F160 HydrophobicContact CB-CE2 4.06Å; E110-F160 HydrophobicContact CB-CZ 3.87Å; E110-R161 IonicContact OE1-NH1 3.96Å; E110-R161 PolarHBondContact OE1-NH1 3.42Å; E110-R161 WeakPolarHBondContact OE2-CD 3.48Å; E110-R161 IonicContact OE2-CZ 3.98Å; E110-R161 IonicContact OE2-NE 2.82Å; E110-R161 IonicContact OE2-NH1 3.04Å; E110-R161 PolarHBondContact OE2-NH1 2.86Å
111	L	94.5	Very high	94.4	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-71.8	-41.1	175.5	-69.1	173.3	0	0	0	111.1	V102 A108 H114 F115 V124 I126 A139 I141 F160	V102-L111 HydrophobicContact CG1-CD1 4.22Å; V102-L111 HydrophobicContact CG1-CD2 4.12Å; V102-L111 HydrophobicContact CG2-CD2 4.49Å; A108-L111 WeakPolarHBondContact O-CB 3.09Å; A108-L111 PolarHBondContact O-N 3.32Å; A108-L111 VanDerWaalsContact O-N 3.11Å; L111-H114 PolarHBondContact O-N 2.87Å; L111-F115 WeakPolarHBondContact O-CD2 3.32Å; L111-F115 PolarHBondContact O-N 3.21Å; L111-F115 VanDerWaalsContact O-N 3.07Å; L111-V124 HydrophobicContact CB-CG1 4.16Å; L111-V124 HydrophobicContact CD1-CG1 4.04Å; L111-I126 HydrophobicContact CD1-CD1 3.87Å; L111-I126 HydrophobicContact CD1-CG1 3.81Å; L111-A139 HydrophobicContact CD1-CB 3.87Å; L111-I141 HydrophobicContact CB-CD1 4.43Å; L111-F160 HydrophobicContact CD2-CE1 3.98Å; L111-F160 HydrophobicContact CD2-CE2 4.28Å; L111-F160 HydrophobicContact CD2-CZ 3.8Å; L111-F160 HydrophobicContact CG-CZ 4.29Å
112	E	95.5	Very high	94.4	Very high	73 Å²	73	57.1 Å²	57.1	34%	0.341	32%	0.322	S	S	.	.	H	α-helix	trans	-57.7	-53	172.8	-168.2	-157.3	121.7	0	0	109.9	A108 D109 H114 F115 R116 I121 V124	A108-E112 PolarHBondContact O-N 3.46Å; D109-E112 PolarHBondContact O-N 2.84Å; E112-H114 VanDerWaalsContact C-N 3.27Å; E112-H114 PolarHBondContact O-N 3.11Å; E112-F115 PolarHBondContact O-N 2.91Å; E112-F115 VanDerWaalsContact O-N 3.14Å; E112-R116 WeakPolarHBondContact O-CB 3.36Å; E112-R116 PolarHBondContact O-N 2.83Å; E112-R116 IonicContact OE1-CZ 2.81Å; E112-R116 IonicContact OE1-NH1 2.84Å; E112-R116 PolarHBondContact OE1-NH1 3.17Å; E112-I121 HydrophobicContact CB-CD1 4.42Å; E112-I121 HydrophobicContact CG-CB 4.37Å; E112-I121 HydrophobicContact CG-CD1 3.88Å; E112-I121 HydrophobicContact CG-CG2 4.49Å; E112-V124 HydrophobicContact CB-CG2 4.28Å
113	A	95	Very high	94.3	Very high	72 Å²	72	60.4 Å²	60.4	60%	0.595	33%	0.334	S	S	*	.	H	α-helix	trans	-57.5	-36.2	-179.1	0	0	0	0	0	113.4	D109	D109-A113 VanDerWaalsContact O-CB 3.28Å; D109-A113 WeakPolarHBondContact O-CB 3.37Å; D109-A113 PolarHBondContact O-N 3.4Å
114	H	94.2	Very high	94.4	Very high	43 Å²	43	60.3 Å²	60.3	20%	0.199	34%	0.335	C	S	.	.	H	α-helix	trans	-67.4	-50.1	174.7	179.7	-82	0	0	0	112.1	E110 L111 E112 S117 S158 F160	E110-H114 PolarHBondContact O-N 3.35Å; E110-H114 VanDerWaalsContact O-N 3.17Å; L111-H114 PolarHBondContact O-N 2.87Å; E112-H114 VanDerWaalsContact C-N 3.27Å; E112-H114 PolarHBondContact O-N 3.11Å; H114-S117 PolarHBondContact O-OG 2.92Å; H114-S158 PolarHBondContact CE1-OG 2.95Å; H114-S158 PolarHBondContact NE2-OG 2.97Å; H114-F160 HydrophobicContact CB-CD2 4.36Å; H114-F160 HydrophobicContact CB-CE2 4.48Å
115	F	95.4	Very high	94.4	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-87.9	-11	-172.9	-74.9	-78.6	0	0	0	115	V99 L111 E112 S117 C118 I121 I141 F143 A152 L155 L165 V167	V99-F115 HydrophobicContact CG1-CE2 4.16Å; V99-F115 HydrophobicContact CG1-CZ 4.2Å; V99-F115 HydrophobicContact CG2-CE2 3.92Å; V99-F115 HydrophobicContact CG2-CZ 3.93Å; L111-F115 WeakPolarHBondContact O-CD2 3.32Å; L111-F115 PolarHBondContact O-N 3.21Å; L111-F115 VanDerWaalsContact O-N 3.07Å; E112-F115 PolarHBondContact O-N 2.91Å; E112-F115 VanDerWaalsContact O-N 3.14Å; F115-S117 PolarHBondContact O-N 3.12Å; F115-S117 VanDerWaalsContact O-N 3.11Å; F115-C118 VanDerWaalsContact O-CB 3.25Å; F115-C118 WeakPolarHBondContact O-CB 3.44Å; F115-C118 PolarHBondContact O-N 2.89Å; F115-I121 HydrophobicContact CB-CD1 3.88Å; F115-I141 HydrophobicContact CB-CD1 4.03Å; F115-I141 HydrophobicContact CD2-CD1 3.25Å; F115-I141 HydrophobicContact CE2-CD1 3.82Å; F115-I141 HydrophobicContact CG-CD1 3.7Å; F115-F143 HydrophobicContact CB-CE1 4.27Å; F115-F143 HydrophobicContact CB-CZ 4.01Å; F115-F143 HydrophobicContact CD1-CZ 4.36Å; F115-F143 HydrophobicContact CG-CZ 4.49Å; F115-A152 HydrophobicContact CD1-CB 3.97Å; F115-A152 HydrophobicContact CE1-CB 4.21Å; F115-L155 HydrophobicContact CD1-CD1 4.45Å; F115-L155 HydrophobicContact CE1-CB 4.41Å; F115-L155 HydrophobicContact CE1-CD1 4.48Å; F115-L165 HydrophobicContact CE2-CD1 3.81Å; F115-L165 HydrophobicContact CZ-CD1 3.88Å; F115-V167 HydrophobicContact CE1-CG1 4.21Å; F115-V167 HydrophobicContact CE1-CG2 4.14Å; F115-V167 HydrophobicContact CZ-CG1 4.49Å; F115-V167 HydrophobicContact CZ-CG2 3.87Å
116	R	95	Very high	94.5	Very high	168 Å²	168	55 Å²	55	63%	0.634	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-16.7	174.2	179.8	170.8	-179.1	152.6	-4.3	113.9	E112 C118	E112-R116 WeakPolarHBondContact O-CB 3.36Å; E112-R116 PolarHBondContact O-N 2.83Å; E112-R116 IonicContact OE1-CZ 2.81Å; E112-R116 IonicContact OE1-NH1 2.84Å; E112-R116 PolarHBondContact OE1-NH1 3.17Å; R116-C118 VanDerWaalsContact C-N 3.29Å
117	S	93.5	Very high	94.4	Very high	94 Å²	94	56.7 Å²	56.7	66%	0.657	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-24.9	168.7	58.3	0	0	0	0	113.6	H114 F115	H114-S117 PolarHBondContact O-OG 2.92Å; F115-S117 PolarHBondContact O-N 3.12Å; F115-S117 VanDerWaalsContact O-N 3.11Å
118	C	94	Very high	94.3	Very high	21 Å²	21	57 Å²	57	14%	0.142	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-29.4	-179.9	-56.1	0	0	0	0	112.5	F115 R116 F143 A151 A152 L155	F115-C118 VanDerWaalsContact O-CB 3.25Å; F115-C118 WeakPolarHBondContact O-CB 3.44Å; F115-C118 PolarHBondContact O-N 2.89Å; R116-C118 VanDerWaalsContact C-N 3.29Å; C118-F143 HydrophobicContact CB-CE1 4.25Å; C118-A151 HydrophobicContact CB-CB 3.87Å; C118-A152 HydrophobicContact CB-CB 4.24Å; C118-L155 WeakPolarHBondContact SG-CD1 3.39Å
119	G	95	Very high	94.1	Very high	16 Å²	16	57.9 Å²	57.9	17%	0.165	32%	0.318	C	S	.	.	S	Bend	trans	163.2	179.6	179.4	0	0	0	0	0	113.7
120	P	95.9	Very high	93.7	Very high	76 Å²	76	61.8 Å²	61.8	49%	0.494	33%	0.329	S	S	.	.			trans	-66	135.7	174.7	28.4	-34.8	0	0	0	111.5	F143 D144	P120-F143 WeakPolarHBondContact O-CA 3.48Å; P120-D144 HydrophobicContact CB-CB 4.46Å; P120-D144 HydrophobicContact CG-CB 4Å; P120-D144 PolarHBondContact O-N 2.85Å
121	I	96	Very high	93.4	Very high	34 Å²	34	67.7 Å²	67.7	17%	0.174	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	126.3	-177.9	-67.9	168.2	0	0	0	108.9	E112 F115 V124 I141 E142 F143	E112-I121 HydrophobicContact CB-CD1 4.42Å; E112-I121 HydrophobicContact CG-CB 4.37Å; E112-I121 HydrophobicContact CG-CD1 3.88Å; E112-I121 HydrophobicContact CG-CG2 4.49Å; F115-I121 HydrophobicContact CB-CD1 3.88Å; I121-V124 HydrophobicContact CG2-CG2 3.95Å; I121-I141 HydrophobicContact CD1-CG2 3.99Å; I121-I141 HydrophobicContact CG1-CG2 3.94Å; I121-I141 HydrophobicContact CG2-CG2 3.88Å; I121-E142 CarbonylContact C-O 3.52Å; I121-F143 HydrophobicContact CD1-CE1 4.03Å; I121-F143 HydrophobicContact CG1-CD1 3.65Å; I121-F143 HydrophobicContact CG1-CE1 3.55Å; I121-F143 HydrophobicContact CG1-CZ 4.44Å
122	N	94.4	Very high	93.2	Very high	77 Å²	77	71.2 Å²	71.2	41%	0.412	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	-39	174.4	-71.3	-7	0	0	0	111.4	E142 D144	N122-E142 HydrophobicContact CB-CB 4.37Å; N122-E142 HydrophobicContact CB-CG 4.06Å; N122-E142 WeakPolarHBondContact CB-OE1 3.32Å; N122-E142 PolarHBondContact N-O 3.07Å; N122-E142 PolarHBondContact ND2-OE1 2.64Å; N122-D144 PolarHBondContact ND2-OD1 2.98Å; N122-D144 WeakPolarHBondContact OD1-CB 3.4Å
123	R	93.1	Very high	92.8	Very high	71 Å²	71	70.2 Å²	70.2	27%	0.268	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	133.3	-169.7	-178.5	-175.4	173.3	112.4	11.4	112.5	A77 T125 E142	A77-R123 VanDerWaalsContact O-CZ 3.23Å; A77-R123 PolarHBondContact O-NH1 2.97Å; A77-R123 PolarHBondContact O-NH2 3.34Å; R123-T125 PolarHBondContact NE-OG1 3.17Å; R123-T125 PolarHBondContact NH2-OG1 2.89Å; R123-E142 HydrophobicContact CB-CB 4.05Å; R123-E142 PolarHBondContact N-O 3.41Å; R123-E142 PolarHBondContact O-N 3.25Å
124	V	95.4	Very high	92.4	Very high	29 Å²	29	73 Å²	73	18%	0.176	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	140.9	163.6	-177.7	0	0	0	0	109.2	A108 L111 E112 I121 I126 I141	A108-V124 HydrophobicContact CB-CB 4.22Å; A108-V124 HydrophobicContact CB-CG1 4.17Å; L111-V124 HydrophobicContact CB-CG1 4.16Å; L111-V124 HydrophobicContact CD1-CG1 4.04Å; E112-V124 HydrophobicContact CB-CG2 4.28Å; I121-V124 HydrophobicContact CG2-CG2 3.95Å; V124-I126 HydrophobicContact CG1-CG1 4.36Å; V124-I141 HydrophobicContact CG1-CG1 4.43Å; V124-I141 HydrophobicContact CG2-CG1 4.4Å
125	T	93.7	Very high	92.1	Very high	28 Å²	28	72.6 Å²	72.6	17%	0.172	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	103.7	177.7	-61.2	0	0	0	0	110.2	R123 L127 A139 Y140	R123-T125 PolarHBondContact NE-OG1 3.17Å; R123-T125 PolarHBondContact NH2-OG1 2.89Å; T125-L127 HydrophobicContact CG2-CD1 4.03Å; T125-A139 CarbonylContact O-C 3.58Å; T125-A139 VanDerWaalsContact O-CA 3.24Å; T125-A139 WeakPolarHBondContact O-CA 3.31Å; T125-Y140 PolarHBondContact N-O 2.91Å; T125-Y140 PolarHBondContact O-N 3.02Å
126	I	93.4	Very high	91.8	Very high	47 Å²	47	79.3 Å²	79.3	24%	0.241	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	130.3	177.4	-57.4	175.5	0	0	0	109	L111 V124 P135 A139	L111-I126 HydrophobicContact CD1-CD1 3.87Å; L111-I126 HydrophobicContact CD1-CG1 3.81Å; V124-I126 HydrophobicContact CG1-CG1 4.36Å; I126-P135 HydrophobicContact CG2-CB 4.48Å; I126-A139 HydrophobicContact CG1-CB 4.12Å
127	L	90.8	Very high	91.7	Very high	51 Å²	51	71.7 Å²	71.7	27%	0.267	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	114	-176.8	-82.3	87.4	0	0	0	113.1	T125 K136 F138 Y140	T125-L127 HydrophobicContact CG2-CD1 4.03Å; L127-K136 PolarHBondContact O-N 2.86Å; L127-F138 HydrophobicContact CB-CD1 4.26Å; L127-F138 HydrophobicContact CB-CD2 4.39Å; L127-F138 HydrophobicContact CB-CE1 3.59Å; L127-F138 HydrophobicContact CB-CE2 3.81Å; L127-F138 HydrophobicContact CB-CZ 3.36Å; L127-F138 HydrophobicContact CD1-CE2 4.03Å; L127-F138 HydrophobicContact CD1-CZ 4.39Å; L127-F138 HydrophobicContact CD2-CE2 3.8Å; L127-F138 HydrophobicContact CD2-CZ 3.56Å; L127-F138 HydrophobicContact CG-CE2 4.08Å; L127-F138 HydrophobicContact CG-CZ 3.93Å; L127-F138 PolarHBondContact N-O 3.14Å; L127-F138 VanDerWaalsContact N-O 3.08Å; L127-Y140 HydrophobicContact CD1-CD2 3.5Å; L127-Y140 HydrophobicContact CD1-CE2 3.62Å; L127-Y140 HydrophobicContact CD2-CE2 4.26Å
128	C	90.4	Very high	91.8	Very high	69 Å²	69	68.1 Å²	68.1	47%	0.466	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	153.7	173.8	-64.8	0	0	0	0	113.3	K130 G133	C128-K130 PolarHBondContact O-N 3.18Å; C128-G133 WeakPolarHBondContact CB-O 3.38Å
129	N	89.6	Confident	91.9	Very high	58 Å²	58	67.1 Å²	67.1	31%	0.31	36%	0.356	S	S	.	.			trans	-73.4	116.2	174.3	179.7	12	0	0	0	110.3	F131 T132 G133 H134	N129-F131 PolarHBondContact O-N 3.09Å; N129-F131 PolarHBondContact OD1-N 3.3Å; N129-T132 WeakPolarHBondContact CB-OG1 3.42Å; N129-T132 PolarHBondContact ND2-OG1 3.02Å; N129-T132 PolarHBondContact O-N 2.81Å; N129-T132 VanDerWaalsContact O-N 3.14Å; N129-G133 PolarHBondContact O-N 2.84Å; N129-H134 WeakPolarHBondContact CB-O 3.45Å; N129-H134 PolarHBondContact N-O 3.17Å
130	K	88.8	Confident	91.9	Very high	201 Å²	201	69.6 Å²	69.6	87%	0.874	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-20.1	-176.7	-57.4	-168.6	178.4	-165.6	0	114.7	C128	C128-K130 PolarHBondContact O-N 3.18Å
131	F	87.8	Confident	91.9	Very high	194 Å²	194	66 Å²	66	85%	0.851	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-24	-179	-57.5	-70.8	0	0	0	114.8	N129	N129-F131 PolarHBondContact O-N 3.09Å; N129-F131 PolarHBondContact OD1-N 3.3Å
132	T	90	Very high	91.9	Very high	73 Å²	73	66 Å²	66	45%	0.448	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.5	-5.6	-174.5	63.2	0	0	0	0	113.8	N129 H134	N129-T132 WeakPolarHBondContact CB-OG1 3.42Å; N129-T132 PolarHBondContact ND2-OG1 3.02Å; N129-T132 PolarHBondContact O-N 2.81Å; N129-T132 VanDerWaalsContact O-N 3.14Å; T132-H134 PolarHBondContact O-N 3.48Å
133	G	87.5	Confident	92	Very high	53 Å²	53	62.3 Å²	62.3	55%	0.546	32%	0.316	S	S	.	.			trans	70.2	-26.8	-173.4	0	0	0	0	0	114.6	C128 N129	C128-G133 WeakPolarHBondContact CB-O 3.38Å; N129-G133 PolarHBondContact O-N 2.84Å
134	H	85.4	Confident	92.1	Very high	131 Å²	131	62.7 Å²	62.7	61%	0.606	32%	0.324	S	S	*	.			trans	-57	135.6	-179.4	-55.8	-38.2	0	0	0	112.7	N129 T132	N129-H134 WeakPolarHBondContact CB-O 3.45Å; N129-H134 PolarHBondContact N-O 3.17Å; T132-H134 PolarHBondContact O-N 3.48Å
135	P	87.9	Confident	92.1	Very high	34 Å²	34	64 Å²	64	22%	0.221	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	139.4	172.3	21.6	-29.1	0	0	0	111	Y104 I126 G137	Y104-P135 HydrophobicContact CD1-CG 4.46Å; Y104-P135 WeakPolarHBondContact CD1-O 3.35Å; Y104-P135 WeakPolarHBondContact O-CG 3.4Å; I126-P135 HydrophobicContact CG2-CB 4.48Å; P135-G137 VanDerWaalsContact C-N 3.27Å; P135-G137 PolarHBondContact O-N 3.05Å
136	K	90.3	Very high	92.1	Very high	140 Å²	140	68.3 Å²	68.3	61%	0.609	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.1	10.7	-177.4	-155.4	-172.6	97.7	-168.5	0	113	L127 F138	L127-K136 PolarHBondContact O-N 2.86Å; K136-F138 HydrophobicContact CB-CD1 3.83Å; K136-F138 HydrophobicContact CB-CE1 3.76Å; K136-F138 HydrophobicContact CD-CD1 4.32Å; K136-F138 HydrophobicContact CD-CE1 3.77Å; K136-F138 HydrophobicContact CG-CD1 4.36Å; K136-F138 HydrophobicContact CG-CE1 4.22Å
137	G	93.3	Very high	92.2	Very high	8 Å²	8	72.1 Å²	72.1	8%	0.082	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	69.1	32.5	-179.3	0	0	0	0	0	114.7	N101 V102 P135	N101-G137 PolarHBondContact N-O 3.18Å; V102-G137 PolarHBondContact N-O 3.46Å; V102-G137 VanDerWaalsContact O-CA 3.24Å; V102-G137 WeakPolarHBondContact O-CA 3.5Å; P135-G137 VanDerWaalsContact C-N 3.27Å; P135-G137 PolarHBondContact O-N 3.05Å
138	F	94.8	Very high	92.4	Very high	20 Å²	20	69.7 Å²	69.7	9%	0.088	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	153.2	170.3	79.1	-73.2	0	0	0	112.6	Y98 V99 L127 K136 Y140	Y98-F138 HydrophobicContact CD2-CD2 4.14Å; Y98-F138 HydrophobicContact CE2-CB 3.79Å; Y98-F138 AromaticContact CE2-CD2 3.59Å; Y98-F138 HydrophobicContact CE2-CD2 3.59Å; Y98-F138 HydrophobicContact CE2-CG 4.02Å; V99-F138 CarbonylContact O-C 3.51Å; V99-F138 WeakPolarHBondContact O-CA 3.28Å; V99-F138 WeakPolarHBondContact O-CB 3.45Å; L127-F138 HydrophobicContact CB-CD1 4.26Å; L127-F138 HydrophobicContact CB-CD2 4.39Å; L127-F138 HydrophobicContact CB-CE1 3.59Å; L127-F138 HydrophobicContact CB-CE2 3.81Å; L127-F138 HydrophobicContact CB-CZ 3.36Å; L127-F138 HydrophobicContact CD1-CE2 4.03Å; L127-F138 HydrophobicContact CD1-CZ 4.39Å; L127-F138 HydrophobicContact CD2-CE2 3.8Å; L127-F138 HydrophobicContact CD2-CZ 3.56Å; L127-F138 HydrophobicContact CG-CE2 4.08Å; L127-F138 HydrophobicContact CG-CZ 3.93Å; L127-F138 PolarHBondContact N-O 3.14Å; L127-F138 VanDerWaalsContact N-O 3.08Å; K136-F138 HydrophobicContact CB-CD1 3.83Å; K136-F138 HydrophobicContact CB-CE1 3.76Å; K136-F138 HydrophobicContact CD-CD1 4.32Å; K136-F138 HydrophobicContact CD-CE1 3.77Å; K136-F138 HydrophobicContact CG-CD1 4.36Å; K136-F138 HydrophobicContact CG-CE1 4.22Å; F138-Y140 HydrophobicContact CD2-CE2 4.45Å; F138-Y140 AromaticContact CE2-CE2 3.97Å; F138-Y140 HydrophobicContact CE2-CE2 3.97Å
139	A	95.7	Very high	92.7	Very high	0 Å²	0	67 Å²	67	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	165.2	179.2	0	0	0	0	0	111.2	V99 L111 T125 I126	V99-A139 PolarHBondContact N-O 2.9Å; V99-A139 PolarHBondContact O-N 3.35Å; L111-A139 HydrophobicContact CD1-CB 3.87Å; T125-A139 CarbonylContact O-C 3.58Å; T125-A139 VanDerWaalsContact O-CA 3.24Å; T125-A139 WeakPolarHBondContact O-CA 3.31Å; I126-A139 HydrophobicContact CG1-CB 4.12Å
140	Y	96.1	Very high	93	Very high	68 Å²	68	71.4 Å²	71.4	27%	0.267	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	142.7	161.8	-59.6	-72.2	0	0	0	109.8	V97 Y98 T125 L127 F138 K170	V97-Y140 VanDerWaalsContact O-CA 3.26Å; V97-Y140 WeakPolarHBondContact O-CA 3.1Å; Y98-Y140 HydrophobicContact CD2-CD1 4.39Å; Y98-Y140 AromaticContact CD2-CE1 3.75Å; Y98-Y140 HydrophobicContact CD2-CE1 3.75Å; Y98-Y140 HydrophobicContact CG-CE1 4.39Å; T125-Y140 PolarHBondContact N-O 2.91Å; T125-Y140 PolarHBondContact O-N 3.02Å; L127-Y140 HydrophobicContact CD1-CD2 3.5Å; L127-Y140 HydrophobicContact CD1-CE2 3.62Å; L127-Y140 HydrophobicContact CD2-CE2 4.26Å; F138-Y140 HydrophobicContact CD2-CE2 4.45Å; F138-Y140 AromaticContact CE2-CE2 3.97Å; F138-Y140 HydrophobicContact CE2-CE2 3.97Å; Y140-K170 HydrophobicContact CD1-CB 4.49Å; Y140-K170 HydrophobicContact CD1-CD 3.83Å; Y140-K170 HydrophobicContact CD1-CG 3.84Å; Y140-K170 HydrophobicContact CE1-CD 4.27Å; Y140-K170 HydrophobicContact CE1-CG 3.88Å; Y140-K170 HydrophobicContact CG-CD 4.36Å
141	I	96.1	Very high	93.3	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	126.4	173.7	-57.9	-179.9	0	0	0	107.2	S96 V97 V99 L111 F115 I121 V124 F143	S96-I141 CarbonylContact C-O 3.57Å; S96-I141 VanDerWaalsContact CA-O 3.23Å; S96-I141 WeakPolarHBondContact CA-O 3.28Å; V97-I141 PolarHBondContact N-O 2.96Å; V97-I141 PolarHBondContact O-N 3.3Å; V99-I141 HydrophobicContact CG2-CD1 3.87Å; V99-I141 HydrophobicContact CG2-CG1 4.2Å; L111-I141 HydrophobicContact CB-CD1 4.43Å; F115-I141 HydrophobicContact CB-CD1 4.03Å; F115-I141 HydrophobicContact CD2-CD1 3.25Å; F115-I141 HydrophobicContact CE2-CD1 3.82Å; F115-I141 HydrophobicContact CG-CD1 3.7Å; I121-I141 HydrophobicContact CD1-CG2 3.99Å; I121-I141 HydrophobicContact CG1-CG2 3.94Å; I121-I141 HydrophobicContact CG2-CG2 3.88Å; V124-I141 HydrophobicContact CG1-CG1 4.43Å; V124-I141 HydrophobicContact CG2-CG1 4.4Å; I141-F143 HydrophobicContact CB-CE2 4.28Å; I141-F143 HydrophobicContact CG2-CD2 4.31Å; I141-F143 HydrophobicContact CG2-CE1 4.2Å; I141-F143 HydrophobicContact CG2-CE2 3.82Å; I141-F143 HydrophobicContact CG2-CZ 3.77Å
142	E	95.9	Very high	93.7	Very high	33 Å²	33	54.5 Å²	54.5	15%	0.154	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	122.2	174	-174.8	-166.9	140.7	0	0	108.6	V92 I121 N122 R123	V92-E142 HydrophobicContact CG1-CG 4.12Å; I121-E142 CarbonylContact C-O 3.52Å; N122-E142 HydrophobicContact CB-CB 4.37Å; N122-E142 HydrophobicContact CB-CG 4.06Å; N122-E142 WeakPolarHBondContact CB-OE1 3.32Å; N122-E142 PolarHBondContact N-O 3.07Å; N122-E142 PolarHBondContact ND2-OE1 2.64Å; R123-E142 HydrophobicContact CB-CB 4.05Å; R123-E142 PolarHBondContact N-O 3.41Å; R123-E142 PolarHBondContact O-N 3.25Å
143	F	96.9	Very high	94	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	160.8	173.7	-63.1	-86.3	0	0	0	110.9	R95 V97 F115 C118 P120 I121 I141 A148 V149 A152	R95-F143 WeakPolarHBondContact CB-O 3.32Å; R95-F143 PolarHBondContact O-N 2.82Å; V97-F143 HydrophobicContact CB-CE2 4.05Å; V97-F143 HydrophobicContact CG2-CD2 4.2Å; V97-F143 HydrophobicContact CG2-CE2 3.68Å; F115-F143 HydrophobicContact CB-CE1 4.27Å; F115-F143 HydrophobicContact CB-CZ 4.01Å; F115-F143 HydrophobicContact CD1-CZ 4.36Å; F115-F143 HydrophobicContact CG-CZ 4.49Å; C118-F143 HydrophobicContact CB-CE1 4.25Å; P120-F143 WeakPolarHBondContact O-CA 3.48Å; I121-F143 HydrophobicContact CD1-CE1 4.03Å; I121-F143 HydrophobicContact CG1-CD1 3.65Å; I121-F143 HydrophobicContact CG1-CE1 3.55Å; I121-F143 HydrophobicContact CG1-CZ 4.44Å; I141-F143 HydrophobicContact CB-CE2 4.28Å; I141-F143 HydrophobicContact CG2-CD2 4.31Å; I141-F143 HydrophobicContact CG2-CE1 4.2Å; I141-F143 HydrophobicContact CG2-CE2 3.82Å; I141-F143 HydrophobicContact CG2-CZ 3.77Å; F143-A148 HydrophobicContact CB-CB 3.74Å; F143-A148 HydrophobicContact CD1-CB 3.65Å; F143-A148 HydrophobicContact CD2-CB 4.48Å; F143-A148 HydrophobicContact CE1-CB 4.35Å; F143-A148 HydrophobicContact CG-CB 3.71Å; F143-V149 HydrophobicContact CD2-CG2 4.23Å; F143-A152 HydrophobicContact CE2-CB 3.85Å; F143-A152 HydrophobicContact CZ-CB 3.74Å
144	D	95.1	Very high	94.3	Very high	80 Å²	80	55.6 Å²	55.6	43%	0.428	29%	0.289	S	S	.	.	S	Bend	trans	-79.2	-26.7	174.7	-160.5	37.4	0	0	0	113	R95 P120 N122	R95-D144 WeakPolarHBondContact CD-O 3.49Å; R95-D144 PolarHBondContact NH1-O 2.92Å; R95-D144 IonicContact NH1-OD1 3.61Å; R95-D144 PolarHBondContact NH1-OD1 3.2Å; P120-D144 HydrophobicContact CB-CB 4.46Å; P120-D144 HydrophobicContact CG-CB 4Å; P120-D144 PolarHBondContact O-N 2.85Å; N122-D144 PolarHBondContact ND2-OD1 2.98Å; N122-D144 WeakPolarHBondContact OD1-CB 3.4Å
145	T	94.7	Very high	94.7	Very high	55 Å²	55	51.9 Å²	51.9	34%	0.337	27%	0.273	S	S	.	.	S	Bend	trans	-113.1	155.3	177.9	65.3	0	0	0	0	112.4	A148	T145-A148 WeakPolarHBondContact OG1-CB 3.41Å; T145-A148 PolarHBondContact OG1-N 2.9Å
146	R	94	Very high	95	Very high	120 Å²	120	52.9 Å²	52.9	45%	0.453	28%	0.277	S	S	.	.	S	Bend	trans	-72.3	-34.9	172.3	-66.7	179.2	-175	167.2	5.7	110.8	E91 R95 A148 V149 E150	E91-R146 IonicContact OE1-CZ 3.85Å; E91-R146 IonicContact OE1-NH2 3.3Å; E91-R146 PolarHBondContact OE1-NH2 3.43Å; E91-R146 IonicContact OE2-NH2 3.65Å; R95-R146 HydrophobicContact CG-CG 3.81Å; R146-A148 PolarHBondContact O-N 2.7Å; R146-V149 WeakPolarHBondContact O-CA 3.41Å; R146-V149 WeakPolarHBondContact O-CB 3.47Å; R146-V149 PolarHBondContact O-N 2.99Å; R146-E150 PolarHBondContact O-N 2.85Å
147	D	95.3	Very high	95.2	Very high	126 Å²	126	50.8 Å²	50.8	67%	0.674	27%	0.272	S	S	*	.	H	α-helix	trans	-58.4	-35.7	178.7	-44.9	2.2	0	0	0	112	V149 E150 A151	D147-V149 VanDerWaalsContact C-N 3.27Å; D147-V149 PolarHBondContact O-N 3.05Å; D147-E150 PolarHBondContact O-N 3.31Å; D147-A151 PolarHBondContact O-N 3.25Å
148	A	95.6	Very high	95.2	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.008	28%	0.276	C	S	.	.	H	α-helix	trans	-66.5	-25.5	175.1	0	0	0	0	0	113.3	F143 T145 R146 A152	F143-A148 HydrophobicContact CB-CB 3.74Å; F143-A148 HydrophobicContact CD1-CB 3.65Å; F143-A148 HydrophobicContact CD2-CB 4.48Å; F143-A148 HydrophobicContact CE1-CB 4.35Å; F143-A148 HydrophobicContact CG-CB 3.71Å; T145-A148 WeakPolarHBondContact OG1-CB 3.41Å; T145-A148 PolarHBondContact OG1-N 2.9Å; R146-A148 PolarHBondContact O-N 2.7Å; A148-A152 WeakPolarHBondContact O-CB 3.4Å; A148-A152 PolarHBondContact O-N 3.14Å
149	V	95.8	Very high	95.1	Very high	11 Å²	11	55.4 Å²	55.4	7%	0.067	31%	0.306	C	S	.	.	H	α-helix	trans	-67.6	-42.9	171.7	180	0	0	0	0	110.1	R95 V97 F143 R146 D147 A152 I153	R95-V149 VanDerWaalsContact C-CG2 3.46Å; R95-V149 WeakPolarHBondContact O-CG2 3.36Å; V97-V149 HydrophobicContact CG2-CB 4.21Å; V97-V149 HydrophobicContact CG2-CG1 3.72Å; V97-V149 HydrophobicContact CG2-CG2 4.33Å; F143-V149 HydrophobicContact CD2-CG2 4.23Å; R146-V149 WeakPolarHBondContact O-CA 3.41Å; R146-V149 WeakPolarHBondContact O-CB 3.47Å; R146-V149 PolarHBondContact O-N 2.99Å; D147-V149 VanDerWaalsContact C-N 3.27Å; D147-V149 PolarHBondContact O-N 3.05Å; V149-A152 PolarHBondContact O-N 3.24Å; V149-I153 HydrophobicContact CG1-CD1 3.97Å; V149-I153 WeakPolarHBondContact O-CD1 3.29Å; V149-I153 VanDerWaalsContact O-CG1 3.24Å; V149-I153 WeakPolarHBondContact O-CG1 3.22Å; V149-I153 PolarHBondContact O-N 3.24Å
150	E	95.8	Very high	95	Very high	151 Å²	151	56.2 Å²	56.2	71%	0.706	31%	0.309	S	S	*	.	H	α-helix	trans	-66.6	-43.2	177	-58.5	-166.9	168.8	0	0	111.3	R146 D147 A152 I153 A154	R146-E150 PolarHBondContact O-N 2.85Å; D147-E150 PolarHBondContact O-N 3.31Å; E150-A152 VanDerWaalsContact C-N 3.33Å; E150-A152 PolarHBondContact O-N 3.16Å; E150-I153 PolarHBondContact O-N 3.37Å; E150-A154 PolarHBondContact O-N 2.85Å; E150-A154 VanDerWaalsContact O-N 3.1Å
151	A	95.8	Very high	94.8	Very high	41 Å²	41	57.7 Å²	57.7	34%	0.339	31%	0.314	S	S	.	.	H	α-helix	trans	-62.1	-37.1	173.6	0	0	0	0	0	112.8	C118 D147 A154	C118-A151 HydrophobicContact CB-CB 3.87Å; D147-A151 PolarHBondContact O-N 3.25Å; A151-A154 WeakPolarHBondContact O-CB 3.49Å; A151-A154 PolarHBondContact O-N 3.49Å
152	A	95.7	Very high	94.6	Very high	0 Å²	0	64 Å²	64	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-70.7	-36.8	175.2	0	0	0	0	0	112.7	V97 F115 C118 F143 A148 V149 E150 A154 L155 V167	V97-A152 HydrophobicContact CG2-CB 3.98Å; F115-A152 HydrophobicContact CD1-CB 3.97Å; F115-A152 HydrophobicContact CE1-CB 4.21Å; C118-A152 HydrophobicContact CB-CB 4.24Å; F143-A152 HydrophobicContact CE2-CB 3.85Å; F143-A152 HydrophobicContact CZ-CB 3.74Å; A148-A152 WeakPolarHBondContact O-CB 3.4Å; A148-A152 PolarHBondContact O-N 3.14Å; V149-A152 PolarHBondContact O-N 3.24Å; E150-A152 VanDerWaalsContact C-N 3.33Å; E150-A152 PolarHBondContact O-N 3.16Å; A152-A154 PolarHBondContact O-N 3.06Å; A152-L155 WeakPolarHBondContact O-CA 3.31Å; A152-L155 WeakPolarHBondContact O-CB 3.37Å; A152-L155 PolarHBondContact O-N 3.31Å; A152-V167 WeakPolarHBondContact O-CG1 3.48Å
153	I	95.7	Very high	94.5	Very high	64 Å²	64	64.9 Å²	64.9	33%	0.328	36%	0.36	S	S	.	.	H	α-helix	trans	-63.4	-30.4	173	-69.1	161	0	0	0	111.1	V149 E150 L155 D156 P169	V149-I153 HydrophobicContact CG1-CD1 3.97Å; V149-I153 WeakPolarHBondContact O-CD1 3.29Å; V149-I153 VanDerWaalsContact O-CG1 3.24Å; V149-I153 WeakPolarHBondContact O-CG1 3.22Å; V149-I153 PolarHBondContact O-N 3.24Å; E150-I153 PolarHBondContact O-N 3.37Å; I153-L155 PolarHBondContact O-N 3.42Å; I153-D156 PolarHBondContact O-N 3.44Å; I153-D156 VanDerWaalsContact O-N 3.12Å; I153-P169 HydrophobicContact CD1-CB 4.1Å; I153-P169 HydrophobicContact CD1-CG 4.16Å
154	A	95.3	Very high	94.5	Very high	84 Å²	84	70.4 Å²	70.4	69%	0.694	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-6.6	171.3	0	0	0	0	0	114.2	E150 A151 A152	E150-A154 PolarHBondContact O-N 2.85Å; E150-A154 VanDerWaalsContact O-N 3.1Å; A151-A154 WeakPolarHBondContact O-CB 3.49Å; A151-A154 PolarHBondContact O-N 3.49Å; A152-A154 PolarHBondContact O-N 3.06Å
155	L	93.2	Very high	94.5	Very high	54 Å²	54	66.6 Å²	66.6	28%	0.283	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	21.7	169	-57.5	-173.8	0	0	0	113.4	F115 C118 A152 I153 S158 V167	F115-L155 HydrophobicContact CD1-CD1 4.45Å; F115-L155 HydrophobicContact CE1-CB 4.41Å; F115-L155 HydrophobicContact CE1-CD1 4.48Å; C118-L155 WeakPolarHBondContact SG-CD1 3.39Å; A152-L155 WeakPolarHBondContact O-CA 3.31Å; A152-L155 WeakPolarHBondContact O-CB 3.37Å; A152-L155 PolarHBondContact O-N 3.31Å; I153-L155 PolarHBondContact O-N 3.42Å; L155-S158 VanDerWaalsContact O-CB 3.31Å; L155-S158 WeakPolarHBondContact O-CB 3.43Å; L155-S158 PolarHBondContact O-N 3.19Å; L155-S158 PolarHBondContact O-OG 3.46Å; L155-V167 WeakPolarHBondContact O-CG2 3.43Å
156	D	94.7	Very high	94.6	Very high	55 Å²	55	68.5 Å²	68.5	29%	0.294	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	148	166.5	-159.1	18.4	0	0	0	110.6	I153 S158 K166 V167	I153-D156 PolarHBondContact O-N 3.44Å; I153-D156 VanDerWaalsContact O-N 3.12Å; D156-S158 PolarHBondContact O-N 2.92Å; D156-S158 VanDerWaalsContact O-N 3.16Å; D156-K166 VanDerWaalsContact OD1-CA 3.25Å; D156-K166 WeakPolarHBondContact OD1-CA 3.49Å; D156-K166 IonicContact OD2-NZ 3.97Å; D156-V167 HydrophobicContact CB-CB 4.29Å; D156-V167 PolarHBondContact OD1-N 2.98Å
157	D	93.8	Very high	94.7	Very high	96 Å²	96	62.8 Å²	62.8	51%	0.513	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	12.7	-172.4	-71.3	-37.8	0	0	0	116.7	Q164 L165	D157-Q164 PolarHBondContact O-NE2 3.16Å; D157-L165 WeakPolarHBondContact CA-O 3.38Å; D157-L165 PolarHBondContact N-O 3.26Å
158	S	93.9	Very high	94.8	Very high	22 Å²	22	60.3 Å²	60.3	15%	0.154	33%	0.334	C	S	.	.			trans	-63	148	178.1	84	0	0	0	0	113.6	H114 L155 D156 F160 Q164 L165	H114-S158 PolarHBondContact CE1-OG 2.95Å; H114-S158 PolarHBondContact NE2-OG 2.97Å; L155-S158 VanDerWaalsContact O-CB 3.31Å; L155-S158 WeakPolarHBondContact O-CB 3.43Å; L155-S158 PolarHBondContact O-N 3.19Å; L155-S158 PolarHBondContact O-OG 3.46Å; D156-S158 PolarHBondContact O-N 2.92Å; D156-S158 VanDerWaalsContact O-N 3.16Å; S158-F160 PolarHBondContact O-N 3.39Å; S158-Q164 CarbonylContact O-C 3.5Å; S158-Q164 VanDerWaalsContact O-CA 3.32Å; S158-Q164 WeakPolarHBondContact O-CA 3.43Å; S158-L165 PolarHBondContact O-N 2.86Å
159	S	93	Very high	94.8	Very high	103 Å²	103	63.6 Å²	63.6	72%	0.72	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.8	107.5	-177.9	61	0	0	0	0	112.9
160	F	93.4	Very high	94.7	Very high	16 Å²	16	65.2 Å²	65.2	7%	0.07	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	123.1	176.3	179.4	-99.6	0	0	0	110.3	V102 E110 L111 H114 S158 S162 R163 L165	V102-F160 HydrophobicContact CG1-CE1 4.43Å; E110-F160 HydrophobicContact CB-CE2 4.06Å; E110-F160 HydrophobicContact CB-CZ 3.87Å; L111-F160 HydrophobicContact CD2-CE1 3.98Å; L111-F160 HydrophobicContact CD2-CE2 4.28Å; L111-F160 HydrophobicContact CD2-CZ 3.8Å; L111-F160 HydrophobicContact CG-CZ 4.29Å; H114-F160 HydrophobicContact CB-CD2 4.36Å; H114-F160 HydrophobicContact CB-CE2 4.48Å; S158-F160 PolarHBondContact O-N 3.39Å; F160-S162 VanDerWaalsContact C-N 3.26Å; F160-S162 PolarHBondContact O-N 3.47Å; F160-R163 PolarHBondContact N-O 2.88Å; F160-R163 PolarHBondContact O-N 3.13Å; F160-L165 HydrophobicContact CB-CD1 3.7Å; F160-L165 HydrophobicContact CB-CD2 3.82Å; F160-L165 HydrophobicContact CB-CG 3.59Å; F160-L165 HydrophobicContact CD1-CD2 3.91Å; F160-L165 HydrophobicContact CG-CD1 4.11Å; F160-L165 HydrophobicContact CG-CD2 4.14Å; F160-L165 HydrophobicContact CG-CG 4.29Å
161	R	92.1	Very high	94.4	Very high	100 Å²	100	67.3 Å²	67.3	38%	0.377	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.5	45.6	179.7	-63.8	172.8	60.9	116.7	-1.5	113.2	D103 G105 E110 R163	D103-R161 HydrophobicContact CB-CB 4.02Å; D103-R161 IonicContact OD2-CZ 2.64Å; D103-R161 VanDerWaalsContact OD2-CZ 3.3Å; D103-R161 IonicContact OD2-NE 2.63Å; D103-R161 PolarHBondContact OD2-NE 2.99Å; D103-R161 IonicContact OD2-NH2 3.37Å; D103-R161 PolarHBondContact OD2-NH2 2.78Å; G105-R161 VanDerWaalsContact C-CZ 3.46Å; G105-R161 VanDerWaalsContact C-NH2 3.25Å; G105-R161 VanDerWaalsContact O-CZ 3.26Å; G105-R161 PolarHBondContact O-NH1 3.34Å; G105-R161 PolarHBondContact O-NH2 2.95Å; G105-R161 VanDerWaalsContact O-NH2 3.17Å; E110-R161 IonicContact OE1-NH1 3.96Å; E110-R161 PolarHBondContact OE1-NH1 3.42Å; E110-R161 WeakPolarHBondContact OE2-CD 3.48Å; E110-R161 IonicContact OE2-CZ 3.98Å; E110-R161 IonicContact OE2-NE 2.82Å; E110-R161 IonicContact OE2-NH1 3.04Å; E110-R161 PolarHBondContact OE2-NH1 2.86Å; R161-R163 PolarHBondContact O-N 2.91Å
162	S	91.4	Very high	94	Very high	132 Å²	132	68 Å²	68	92%	0.923	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.7	20.7	-176.8	-49.7	0	0	0	0	115.9	F160	F160-S162 VanDerWaalsContact C-N 3.26Å; F160-S162 PolarHBondContact O-N 3.47Å
163	R	93.7	Very high	93.4	Very high	51 Å²	51	75 Å²	75	19%	0.192	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	148.7	175.5	-61.1	166.8	68.9	146.2	3.7	109	N101 V102 D103 F160 R161	N101-R163 PolarHBondContact O-NE 3.1Å; N101-R163 PolarHBondContact O-NH2 3.08Å; N101-R163 PolarHBondContact OD1-NH2 2.8Å; V102-R163 PolarHBondContact O-NH2 3.42Å; D103-R163 IonicContact OD1-CZ 2.71Å; D103-R163 IonicContact OD1-NH1 3.96Å; D103-R163 PolarHBondContact OD1-NH1 2.85Å; F160-R163 PolarHBondContact N-O 2.88Å; F160-R163 PolarHBondContact O-N 3.13Å; R161-R163 PolarHBondContact O-N 2.91Å
164	Q	96	Very high	92.6	Very high	116 Å²	116	75.2 Å²	75.2	54%	0.542	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	124.7	170.5	-66.4	-178.9	-82.7	0	0	109.3	N101 D157 S158	N101-Q164 WeakPolarHBondContact CB-O 3.46Å; N101-Q164 PolarHBondContact ND2-O 3.37Å; D157-Q164 PolarHBondContact O-NE2 3.16Å; S158-Q164 CarbonylContact O-C 3.5Å; S158-Q164 VanDerWaalsContact O-CA 3.32Å; S158-Q164 WeakPolarHBondContact O-CA 3.43Å
165	L	96.1	Very high	91.7	Very high	0 Å²	0	76.8 Å²	76.8	0%	0	41%	0.408	C	S	.	.			trans	-72.9	147.2	173.8	-64.3	-176.1	0	0	0	110.2	V99 V102 F115 D157 S158 F160 V167	V99-L165 HydrophobicContact CG1-CB 4.21Å; V99-L165 HydrophobicContact CG1-CD1 3.98Å; V99-L165 HydrophobicContact CG1-CD2 4.03Å; V99-L165 HydrophobicContact CG1-CG 4.3Å; V102-L165 HydrophobicContact CG2-CD2 4.18Å; F115-L165 HydrophobicContact CE2-CD1 3.81Å; F115-L165 HydrophobicContact CZ-CD1 3.88Å; D157-L165 WeakPolarHBondContact CA-O 3.38Å; D157-L165 PolarHBondContact N-O 3.26Å; S158-L165 PolarHBondContact O-N 2.86Å; F160-L165 HydrophobicContact CB-CD1 3.7Å; F160-L165 HydrophobicContact CB-CD2 3.82Å; F160-L165 HydrophobicContact CB-CG 3.59Å; F160-L165 HydrophobicContact CD1-CD2 3.91Å; F160-L165 HydrophobicContact CG-CD1 4.11Å; F160-L165 HydrophobicContact CG-CD2 4.14Å; F160-L165 HydrophobicContact CG-CG 4.29Å; L165-V167 HydrophobicContact CB-CG2 4.2Å
166	K	96.7	Very high	90.8	Very high	95 Å²	95	78.2 Å²	78.2	41%	0.413	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	111.6	168.6	-177.7	159.3	-162.7	66.6	0	110.8	V99 G100 D156	V99-K166 CarbonylContact C-O 3.6Å; V99-K166 WeakPolarHBondContact CA-O 3.35Å; G100-K166 PolarHBondContact N-O 3.15Å; G100-K166 PolarHBondContact O-N 3.43Å; D156-K166 VanDerWaalsContact OD1-CA 3.25Å; D156-K166 WeakPolarHBondContact OD1-CA 3.49Å; D156-K166 IonicContact OD2-NZ 3.97Å
167	V	96.8	Very high	89.5	Confident	1 Å²	1	81.9 Å²	81.9	1%	0.006	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	123.3	-170.7	-165.7	0	0	0	0	110.3	V97 F115 A152 L155 D156 L165	V97-V167 HydrophobicContact CG1-CG1 3.32Å; F115-V167 HydrophobicContact CE1-CG1 4.21Å; F115-V167 HydrophobicContact CE1-CG2 4.14Å; F115-V167 HydrophobicContact CZ-CG1 4.49Å; F115-V167 HydrophobicContact CZ-CG2 3.87Å; A152-V167 WeakPolarHBondContact O-CG1 3.48Å; L155-V167 WeakPolarHBondContact O-CG2 3.43Å; D156-V167 HydrophobicContact CB-CB 4.29Å; D156-V167 PolarHBondContact OD1-N 2.98Å; L165-V167 HydrophobicContact CB-CG2 4.2Å
168	L	96.1	Very high	88.1	Confident	74 Å²	74	80.9 Å²	80.9	39%	0.387	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	152.3	-178.6	-67.5	174.7	0	0	0	110.4	Y98 K170	Y98-L168 HydrophobicContact CD1-CB 4.25Å; Y98-L168 HydrophobicContact CD1-CD1 4.48Å; Y98-L168 PolarHBondContact N-O 3Å; Y98-L168 PolarHBondContact O-N 3.1Å; L168-K170 PolarHBondContact O-N 3.01Å
169	P	95.4	Very high	86.7	Confident	70 Å²	70	86.8 Å²	86.8	46%	0.455	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	140.3	169.9	25.9	-32.8	0	0	0	110.4	I153	I153-P169 HydrophobicContact CD1-CB 4.1Å; I153-P169 HydrophobicContact CD1-CG 4.16Å
170	K	94.7	Very high	85.6	Confident	44 Å²	44	85.6 Å²	85.6	19%	0.191	47%	0.468	C	S	.	.	P	Polyproline II helix	trans	-66.6	143	176.7	-172.4	-178	-179.2	-162.9	0	109.6	D93 S96 Y140 L168	D93-K170 HydrophobicContact CB-CD 4.44Å; D93-K170 WeakPolarHBondContact OD1-CD 3.41Å; D93-K170 WeakPolarHBondContact OD1-CE 3.2Å; D93-K170 IonicContact OD1-NZ 2.73Å; D93-K170 PolarHBondContact OD1-NZ 3.28Å; S96-K170 VanDerWaalsContact O-CB 3.22Å; S96-K170 WeakPolarHBondContact O-CB 3.45Å; S96-K170 PolarHBondContact O-N 3.24Å; Y140-K170 HydrophobicContact CD1-CB 4.49Å; Y140-K170 HydrophobicContact CD1-CD 3.83Å; Y140-K170 HydrophobicContact CD1-CG 3.84Å; Y140-K170 HydrophobicContact CE1-CD 4.27Å; Y140-K170 HydrophobicContact CE1-CG 3.88Å; Y140-K170 HydrophobicContact CG-CD 4.36Å; L168-K170 PolarHBondContact O-N 3.01Å
171	R	89.9	Confident	84.2	Confident	195 Å²	195	92.7 Å²	92.7	74%	0.736	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-93.8	127.6	177.4	-67.1	-179.4	60.6	-161.6	-4.1	110
172	T	87.4	Confident	83.2	Confident	57 Å²	57	94.1 Å²	94.1	35%	0.35	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-59.6	134.8	168.9	47.9	0	0	0	0	111	T90 D93 V174	T90-T172 HydrophobicContact CG2-CG2 3.94Å; D93-T172 HydrophobicContact CB-CG2 3.65Å; D93-T172 WeakPolarHBondContact OD2-CA 3.48Å; T172-V174 PolarHBondContact O-N 2.88Å
173	N	81.5	Confident	81.8	Confident	147 Å²	147	95 Å²	95	79%	0.786	51%	0.511	S	S	*	.			trans	-87.8	80.5	-179.7	-178.5	27.5	0	0	0	111.3	P175	N173-P175 VanDerWaalsContact O-CD 3.3Å; N173-P175 WeakPolarHBondContact O-CD 3.36Å
174	V	79.2	Confident	80.3	Confident	67 Å²	67	97.9 Å²	97.9	41%	0.406	54%	0.536	S	S	.	.			trans	-83	111.7	177.7	-169.2	0	0	0	0	110.5	T172 G176 M177	T172-V174 PolarHBondContact O-N 2.88Å; V174-G176 PolarHBondContact O-N 3.32Å; V174-M177 HydrophobicContact CB-CB 4.5Å; V174-M177 HydrophobicContact CB-CE 4.34Å; V174-M177 HydrophobicContact CB-CG 4.03Å; V174-M177 HydrophobicContact CB-SD 3.7Å; V174-M177 HydrophobicContact CG1-CE 3.78Å; V174-M177 HydrophobicContact CG1-CG 3.9Å; V174-M177 HydrophobicContact CG1-SD 3.76Å; V174-M177 HydrophobicContact CG2-SD 4.12Å; V174-M177 PolarHBondContact O-N 3.35Å
175	P	77.2	Confident	78.5	Confident	117 Å²	117	101.5 Å²	101.5	76%	0.76	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	136.7	-176.9	26.7	-34.4	0	0	0	111.5	N173	N173-P175 VanDerWaalsContact O-CD 3.3Å; N173-P175 WeakPolarHBondContact O-CD 3.36Å
176	G	74.1	Confident	76.4	Confident	84 Å²	84	106.4 Å²	106.4	87%	0.866	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	89	-12.2	179.5	0	0	0	0	0	115.7	V174 S178	V174-G176 PolarHBondContact O-N 3.32Å; G176-S178 VanDerWaalsContact C-N 3.31Å; G176-S178 PolarHBondContact O-N 3.04Å
177	M	66.5	Low	74.3	Confident	133 Å²	133	114 Å²	114	66%	0.655	61%	0.607	S	S	*	*			trans	-75.6	76.8	175.6	-71.7	-167.4	174.2	0	0	112.7	V174 M179	V174-M177 HydrophobicContact CB-CB 4.5Å; V174-M177 HydrophobicContact CB-CE 4.34Å; V174-M177 HydrophobicContact CB-CG 4.03Å; V174-M177 HydrophobicContact CB-SD 3.7Å; V174-M177 HydrophobicContact CG1-CE 3.78Å; V174-M177 HydrophobicContact CG1-CG 3.9Å; V174-M177 HydrophobicContact CG1-SD 3.76Å; V174-M177 HydrophobicContact CG2-SD 4.12Å; V174-M177 PolarHBondContact O-N 3.35Å; M177-M179 PolarHBondContact O-N 3.36Å
178	S	64.7	Low	72.2	Confident	75 Å²	75	117.2 Å²	117.2	52%	0.524	64%	0.64	S	S	.	*			trans	-71	123.7	167	174.9	0	0	0	0	110.8	G176 T180	G176-S178 VanDerWaalsContact C-N 3.31Å; G176-S178 PolarHBondContact O-N 3.04Å; S178-T180 PolarHBondContact O-N 3.14Å; S178-T180 PolarHBondContact OG-N 3.37Å; S178-T180 VanDerWaalsContact OG-N 3.1Å; S178-T180 PolarHBondContact OG-O 2.97Å; S178-T180 PolarHBondContact OG-OG1 2.93Å
179	M	65.2	Low	69.9	Low	146 Å²	146	124.5 Å²	124.5	72%	0.719	66%	0.662	S	S	*	*	S	Bend	trans	-71.8	-9.5	169.1	-60.7	-72.8	91.1	0	0	112.8	M177	M177-M179 PolarHBondContact O-N 3.36Å
180	T	69.4	Low	67.4	Low	77 Å²	77	125.1 Å²	125.1	47%	0.472	67%	0.674	S	S	.	*	S	Bend	trans	-88.4	127.9	176.9	-30	0	0	0	0	109.7	S178 H182	S178-T180 PolarHBondContact O-N 3.14Å; S178-T180 PolarHBondContact OG-N 3.37Å; S178-T180 VanDerWaalsContact OG-N 3.1Å; S178-T180 PolarHBondContact OG-O 2.97Å; S178-T180 PolarHBondContact OG-OG1 2.93Å; T180-H182 WeakPolarHBondContact CG2-NE2 3.48Å; T180-H182 PolarHBondContact O-N 3.01Å
181	N	64.7	Low	65.1	Low	165 Å²	165	135.7 Å²	135.7	88%	0.882	71%	0.713	S	S	*	*			trans	-66.3	27.6	177.5	-67.8	-39.3	0	0	0	114.6
182	H	70.1	Confident	63	Low	131 Å²	131	129.2 Å²	129.2	61%	0.606	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-77.5	122.1	168.2	-61	-23.2	0	0	0	107.9	T180	T180-H182 WeakPolarHBondContact CG2-NE2 3.48Å; T180-H182 PolarHBondContact O-N 3.01Å
183	L	62.4	Low	61	Low	149 Å²	149	138.6 Å²	138.6	78%	0.78	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-51.9	144	167.2	-70.5	79.8	0	0	0	108.3	F185	L183-F185 PolarHBondContact O-N 3.44Å
184	P	61.3	Low	59.2	Low	112 Å²	112	134.7 Å²	134.7	73%	0.727	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-51.4	130.7	179.2	21.7	-33.7	0	0	0	109.3	V186	P184-V186 VanDerWaalsContact C-N 3.27Å; P184-V186 WeakPolarHBondContact O-CG2 3.49Å; P184-V186 PolarHBondContact O-N 2.84Å
185	F	59	Low	57.5	Low	192 Å²	192	139.8 Å²	139.8	84%	0.842	75%	0.751	S	S	*	*			trans	-68.1	86.9	-175.4	-111.8	-88.2	0	0	0	109.7	L183 R187	L183-F185 PolarHBondContact O-N 3.44Å; F185-R187 PolarHBondContact O-N 3.31Å
186	V	53.2	Low	55.9	Low	104 Å²	104	139.4 Å²	139.4	63%	0.63	75%	0.752	S	S	*	*			trans	-67.5	85.6	175.5	-178.1	0	0	0	0	108.3	P184 G188 R189	P184-V186 VanDerWaalsContact C-N 3.27Å; P184-V186 WeakPolarHBondContact O-CG2 3.49Å; P184-V186 PolarHBondContact O-N 2.84Å; V186-G188 PolarHBondContact O-N 3.4Å; V186-R189 HydrophobicContact CG1-CG 4.18Å; V186-R189 PolarHBondContact O-N 2.98Å
187	R	52.3	Low	54.6	Low	253 Å²	253	142 Å²	142	96%	0.955	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	66.3	-176.6	-166.1	-178.8	-170.1	172.2	3.4	110.9	F185	F185-R187 PolarHBondContact O-N 3.31Å
188	G	51.1	Low	53.5	Low	69 Å²	69	140.3 Å²	140.3	71%	0.711	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-178.8	-18.4	-175.6	0	0	0	0	0	115.7	V186 A190	V186-G188 PolarHBondContact O-N 3.4Å; G188-A190 VanDerWaalsContact C-N 3.34Å; G188-A190 PolarHBondContact O-N 3.13Å
189	R	47.6	Very low	52.8	Low	227 Å²	227	145.8 Å²	145.8	86%	0.857	76%	0.76	S	S	*	*			trans	-79	82.7	178.2	-75.9	-73.3	179.7	178.6	-2.1	112.2	V186	V186-R189 HydrophobicContact CG1-CG 4.18Å; V186-R189 PolarHBondContact O-N 2.98Å
190	A	44.5	Very low	52	Low	84 Å²	84	149.3 Å²	149.3	69%	0.694	77%	0.765	S	S	*	*			trans	15.1	125.6	155.7	0	0	0	0	0	118.9	G188 G192	G188-A190 VanDerWaalsContact C-N 3.34Å; G188-A190 PolarHBondContact O-N 3.13Å; A190-G192 PolarHBondContact O-N 3.08Å
191	R	44.9	Very low	51.3	Low	266 Å²	266	151.5 Å²	151.5	100%	1.004	78%	0.781	S	S	*	*			trans	-71.5	52.5	153.1	-79.6	-173.5	163	102.2	-3.5	111.3
192	G	45.9	Very low	50.3	Low	59 Å²	59	148.8 Å²	148.8	61%	0.608	77%	0.77	S	S	*	*			trans	-77.9	117.7	172.3	0	0	0	0	0	110.1	A190 G194	A190-G192 PolarHBondContact O-N 3.08Å; G192-G194 PolarHBondContact O-N 3.15Å
193	R	47.1	Very low	49	Very low	254 Å²	254	152.9 Å²	152.9	96%	0.958	78%	0.782	S	S	*	*			trans	-62	123.4	170.1	-87.6	177	159.1	136.5	-9	109.6
194	G	42.7	Very low	48.3	Very low	65 Å²	65	150.9 Å²	150.9	67%	0.67	79%	0.787	S	S	*	*			trans	71.5	91.2	157.7	0	0	0	0	0	116.8	G192	G192-G194 PolarHBondContact O-N 3.15Å
195	M	43	Very low	47.5	Very low	174 Å²	174	148.9 Å²	148.9	86%	0.857	79%	0.787	S	S	*	*			trans	-132.7	108.7	144.3	-83.2	-62.1	155.9	0	0	109.8	I197	M195-I197 PolarHBondContact O-N 3.37Å; M195-I197 VanDerWaalsContact O-N 3.08Å
196	S	44.5	Very low	46.9	Very low	109 Å²	109	152 Å²	152	76%	0.762	79%	0.793	S	S	*	*			trans	-80.7	78.7	176.5	52.8	0	0	0	0	110.6	S198	S196-S198 PolarHBondContact O-N 3.38Å; S196-S198 PolarHBondContact O-OG 2.93Å
197	I	47.4	Very low	46.5	Very low	137 Å²	137	152 Å²	152	70%	0.703	79%	0.793	S	S	*	*			trans	-65.6	101.5	173.9	-60.7	-178.8	0	0	0	108.5	M195 F199	M195-I197 PolarHBondContact O-N 3.37Å; M195-I197 VanDerWaalsContact O-N 3.08Å; I197-F199 HydrophobicContact CG2-CD2 3.77Å; I197-F199 HydrophobicContact CG2-CE2 3.74Å; I197-F199 PolarHBondContact O-N 3.06Å
198	S	43.6	Very low	46.2	Very low	99 Å²	99	151.9 Å²	151.9	69%	0.692	79%	0.792	S	S	*	*			trans	-83.1	79.6	-174.8	-63.3	0	0	0	0	110.7	S196 R200	S196-S198 PolarHBondContact O-N 3.38Å; S196-S198 PolarHBondContact O-OG 2.93Å; S198-R200 PolarHBondContact O-N 3.16Å
199	F	48.2	Very low	45.9	Very low	189 Å²	189	158.5 Å²	158.5	83%	0.829	80%	0.797	S	S	*	*			trans	-64.4	96.1	166.4	-89.9	-81.8	0	0	0	110	I197 P201	I197-F199 HydrophobicContact CG2-CD2 3.77Å; I197-F199 HydrophobicContact CG2-CE2 3.74Å; I197-F199 PolarHBondContact O-N 3.06Å; F199-P201 VanDerWaalsContact O-CD 3.27Å; F199-P201 WeakPolarHBondContact O-CD 3.25Å
200	R	49.1	Very low	46	Very low	220 Å²	220	152.6 Å²	152.6	83%	0.83	79%	0.788	S	S	*	*			trans	-87.1	107.4	165.4	-80.9	-178	159.9	-165.7	-4.4	108.8	S198 V202	S198-R200 PolarHBondContact O-N 3.16Å; R200-V202 PolarHBondContact O-N 3.21Å
201	P	54.1	Low	46.1	Very low	124 Å²	124	160.3 Å²	160.3	81%	0.805	80%	0.8	S	S	*	*			trans	-62.9	134.6	160.7	28.4	-33	0	0	0	108.6	F199	F199-P201 VanDerWaalsContact O-CD 3.27Å; F199-P201 WeakPolarHBondContact O-CD 3.25Å
202	V	43.9	Very low	46.2	Very low	108 Å²	108	157.7 Å²	157.7	66%	0.655	79%	0.791	S	S	*	*			trans	-97.7	153.7	171.7	-171.6	0	0	0	0	108	R200	R200-V202 PolarHBondContact O-N 3.21Å
203	Y	43.7	Very low	46.3	Very low	217 Å²	217	166.5 Å²	166.5	85%	0.851	81%	0.806	S	S	*	*	S	Bend	trans	82.8	149.6	177.5	-55.4	-75.7	0	0	0	118
204	A	47.8	Very low	46.3	Very low	107 Å²	107	166 Å²	166	88%	0.884	80%	0.804	S	S	*	*			trans	65.1	155.1	175.6	0	0	0	0	0	118.9
205	G	43.8	Very low	46.6	Very low	70 Å²	70	174 Å²	174	72%	0.722	81%	0.814	S	S	*	*			trans	87.2	63.3	155.7	0	0	0	0	0	119	V207	G205-V207 PolarHBondContact O-N 3.4Å
206	R	45.9	Very low	47.1	Very low	257 Å²	257	168.3 Å²	168.3	97%	0.97	80%	0.799	S	S	*	*			trans	-71.2	91.2	159.9	-86.6	-85.1	-153.3	-100.3	-1.8	110.3
207	V	45.3	Very low	47.7	Very low	105 Å²	105	167 Å²	167	64%	0.636	79%	0.79	S	S	*	*			trans	-132.7	117.9	166.9	-171.7	0	0	0	0	110.4	G205 Y209	G205-V207 PolarHBondContact O-N 3.4Å; V207-Y209 HydrophobicContact CG1-CD2 3.59Å; V207-Y209 HydrophobicContact CG1-CE2 3.39Å
208	R	45.6	Very low	48.2	Very low	250 Å²	250	170.6 Å²	170.6	94%	0.943	80%	0.797	S	S	*	*			trans	-97.9	121.8	167.7	-77.8	-179.1	173.5	175.8	-1.9	108.6
209	Y	45.2	Very low	49.1	Very low	208 Å²	208	176 Å²	176	82%	0.816	80%	0.804	S	S	*	*			trans	-124.7	141.8	156.5	-73.5	-60.2	0	0	0	110	V207	V207-Y209 HydrophobicContact CG1-CD2 3.59Å; V207-Y209 HydrophobicContact CG1-CE2 3.39Å
210	P	49.3	Very low	49.6	Very low	102 Å²	102	175.7 Å²	175.7	66%	0.662	80%	0.802	S	S	*	*			trans	-75.3	155.6	-172.1	30.3	-35.4	0	0	0	112.9	Y212	P210-Y212 HydrophobicContact CG-CE2 4.44Å; P210-Y212 PolarHBondContact O-N 3.31Å
211	R	47	Very low	50.5	Low	247 Å²	247	170.1 Å²	170.1	93%	0.932	80%	0.797	S	S	*	*			trans	-63.5	120	176.3	-68.7	172.9	172	164.2	-4.4	111.2
212	Y	46.7	Very low	51.4	Low	211 Å²	211	168.2 Å²	168.2	83%	0.827	78%	0.784	S	S	*	*			trans	-111.8	119.9	155.6	-83.5	-82.7	0	0	0	110.7	P210 R214	P210-Y212 HydrophobicContact CG-CE2 4.44Å; P210-Y212 PolarHBondContact O-N 3.31Å; Y212-R214 PolarHBondContact O-N 3.46Å
213	R	48.6	Very low	52.4	Low	243 Å²	243	177.2 Å²	177.2	92%	0.917	81%	0.809	S	S	*	*			trans	-75	113.8	169.1	-78	177.5	166.8	-179.1	-3.6	109.1
214	R	47.3	Very low	52.8	Low	245 Å²	245	175.2 Å²	175.2	93%	0.925	81%	0.806	S	S	*	*			trans	-128.5	109.9	154	-77.9	-59.3	-161.9	-159.5	5.3	109.9	Y212	Y212-R214 PolarHBondContact O-N 3.46Å
215	R	49.3	Very low	53.1	Low	233 Å²	233	178.8 Å²	178.8	88%	0.879	80%	0.802	S	S	*	*			trans	-86.9	100.4	169.4	-179.6	-171.5	-171.1	-158.9	4.8	106.7	S217	R215-S217 PolarHBondContact O-N 3.11Å
216	G	52.5	Low	53.6	Low	53 Å²	53	184.8 Å²	184.8	55%	0.546	81%	0.807	S	S	.	*			trans	-59.9	119.1	163.2	0	0	0	0	0	107.6
217	S	57.9	Low	54.1	Low	82 Å²	82	180.6 Å²	180.6	57%	0.573	80%	0.797	S	S	*	*				81.6	59.3	54.4	-168.2	0	0	0	0	111.8	R215 Y219	R215-S217 PolarHBondContact O-N 3.11Å; S217-Y219 VanDerWaalsContact OG-CE2 3.3Å; S217-Y219 WeakPolarHBondContact OG-CE2 3.24Å
218	Y	56.7	Low	54.6	Low	212 Å²	212	185.3 Å²	185.3	83%	0.831	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-75.8	117.7	160.2	-47.4	-83.9	0	0	0	107.6
219	Y	62.6	Low	55.2	Low	214 Å²	214	181 Å²	181	84%	0.839	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-98.5	125.2	167.5	-87.3	-77.1	0	0	0	109.7	S217	S217-Y219 VanDerWaalsContact OG-CE2 3.3Å; S217-Y219 WeakPolarHBondContact OG-CE2 3.24Å
220	F	60.4	Low	55.9	Low	181 Å²	181	179.1 Å²	179.1	79%	0.794	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-100.1	136.8	171.4	164.2	-105.6	0	0	0	107.4	P222	F220-P222 HydrophobicContact CD1-CG 4.34Å; F220-P222 VanDerWaalsContact CE1-CD 3.46Å; F220-P222 HydrophobicContact CE1-CG 3.58Å; F220-P222 HydrophobicContact CE2-CG 4.4Å; F220-P222 HydrophobicContact CZ-CB 4.28Å; F220-P222 HydrophobicContact CZ-CG 3.63Å
221	S	67.3	Low	56.4	Low	104 Å²	104	185 Å²	185	73%	0.727	81%	0.807	S	S	*	*			trans	-148.1	90.9	-176.7	-172.3	0	0	0	0	111.2
222	P	72.4	Confident	57.2	Low	83 Å²	83	179.8 Å²	179.8	54%	0.539	80%	0.797	S	S	.	*			trans	-87.4	135	163.4	35.2	-31.3	0	0	0	110.5	F220	F220-P222 HydrophobicContact CD1-CG 4.34Å; F220-P222 VanDerWaalsContact CE1-CD 3.46Å; F220-P222 HydrophobicContact CE1-CG 3.58Å; F220-P222 HydrophobicContact CE2-CG 4.4Å; F220-P222 HydrophobicContact CZ-CB 4.28Å; F220-P222 HydrophobicContact CZ-CG 3.63Å
223	Y	65.1	Low	58.2	Low	297 Å²	297	177 Å²	177	100%	1.165	79%	0.794	S	S	*	*			trans	-126	0	145.7	-81.8	-78.6	0	0	0	106.5

Retrieved 223 of 223 residues in 217.1 ms (Link to these results)

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