G4VRD9_SCHMA Loading...

Putative nadh-ubiquinone oxidoreductase 1, chain

AlphaFold DB , UniProt , Accession G4VRD9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 206 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	31.5	Very low	34.4	Very low	242 Å²	242	170.6 Å²	170.6	100%	1.192	88%	0.878	S	S	*	*				0	77.1	0	-171	163.3	144.1	0	0	107.9
2	T	34.3	Very low	35	Very low	147 Å²	147	166.3 Å²	166.3	90%	0.902	86%	0.856	S	S	*	*			trans	-160.3	100.6	172	16.1	0	0	0	0	107
3	L	30.9	Very low	36.2	Very low	169 Å²	169	158.6 Å²	158.6	89%	0.885	83%	0.826	S	S	*	*			trans	-64.7	130.2	173.4	-69.6	133.4	0	0	0	109.2
4	F	34.7	Very low	37.7	Very low	206 Å²	206	154.5 Å²	154.5	90%	0.904	81%	0.814	S	S	*	*			trans	-142.1	87.5	158.1	-120.6	-91.7	0	0	0	111.2
5	S	33.5	Very low	38.5	Very low	78 Å²	78	153.8 Å²	153.8	55%	0.545	81%	0.81	S	S	.	*			trans	42.2	96	133	173.8	0	0	0	0	117.5	R7	S5-R7 PolarHBondContact O-N 3.48Å; S5-R7 VanDerWaalsContact O-N 3.13Å
6	R	30.7	Very low	39.3	Very low	253 Å²	253	148.6 Å²	148.6	96%	0.955	79%	0.786	S	S	*	*			trans	-52.7	109.5	148.7	-70.6	179.2	173.2	-163.9	-2.6	109.1
7	R	34.9	Very low	40	Very low	226 Å²	226	148.2 Å²	148.2	85%	0.853	78%	0.779	S	S	*	*			trans	-115	113.6	162.3	-94.2	-179.6	177.5	-175.3	-1.2	108.7	S5 A9	S5-R7 PolarHBondContact O-N 3.48Å; S5-R7 VanDerWaalsContact O-N 3.13Å; R7-A9 PolarHBondContact O-N 2.84Å; R7-A9 VanDerWaalsContact O-N 3.07Å
8	C	30.1	Very low	40.8	Very low	132 Å²	132	144.4 Å²	144.4	89%	0.892	76%	0.762	S	S	*	*			trans	-46.2	107.7	158.4	-75.2	0	0	0	0	109.1
9	A	41.3	Very low	41.2	Very low	95 Å²	95	139.3 Å²	139.3	79%	0.785	74%	0.743	S	S	*	*			trans	-96	114.5	164	0	0	0	0	0	107.2	R7	R7-A9 PolarHBondContact O-N 2.84Å; R7-A9 VanDerWaalsContact O-N 3.07Å
10	L	36.9	Very low	41.5	Very low	152 Å²	152	135 Å²	135	80%	0.796	73%	0.727	S	S	*	*			trans	-51.7	145.2	173.6	-71.1	140.8	0	0	0	111.1	L12	L10-L12 PolarHBondContact O-N 3.11Å
11	N	39.2	Very low	41.9	Very low	177 Å²	177	131.1 Å²	131.1	95%	0.947	71%	0.714	S	S	*	*			trans	-41.1	92.8	171.3	-75.8	-36.7	0	0	0	112.3
12	L	42.2	Very low	42.7	Very low	119 Å²	119	127 Å²	127	62%	0.623	69%	0.69	S	S	*	*			trans	-109.1	133.3	167.3	-84.5	151.5	0	0	0	106.9	L10	L10-L12 PolarHBondContact O-N 3.11Å
13	S	51.1	Low	43.2	Very low	66 Å²	66	127.1 Å²	127.1	46%	0.462	68%	0.684	S	S	.	*			trans	-56.8	148.9	-172	57.8	0	0	0	0	112	L15 V16	S13-L15 PolarHBondContact O-N 2.68Å; S13-V16 PolarHBondContact O-N 3.12Å
14	P	56.2	Low	43.9	Very low	101 Å²	101	127.2 Å²	127.2	66%	0.656	68%	0.679	S	S	*	*	H	α-helix	trans	-60	-18.3	-174.9	21.5	-32.7	0	0	0	113.9	V16 V18	P14-V16 VanDerWaalsContact C-N 3.35Å; P14-V18 WeakPolarHBondContact O-CG2 3.48Å; P14-V18 PolarHBondContact O-N 3.37Å
15	L	49.5	Very low	44.4	Very low	144 Å²	144	123.8 Å²	123.8	75%	0.754	67%	0.67	S	S	*	*	H	α-helix	trans	-70.4	-28.1	173.6	-75.2	167.3	0	0	0	113.2	S13 A19	S13-L15 PolarHBondContact O-N 2.68Å; L15-A19 PolarHBondContact O-N 2.81Å
16	V	52	Low	44.7	Very low	71 Å²	71	123 Å²	123	43%	0.43	67%	0.674	S	S	.	*	H	α-helix	trans	-79.8	-35.2	-178.3	-179.2	0	0	0	0	111.4	S13 P14 A19 A20	S13-V16 PolarHBondContact O-N 3.12Å; P14-V16 VanDerWaalsContact C-N 3.35Å; V16-A19 PolarHBondContact O-N 2.72Å; V16-A20 WeakPolarHBondContact O-CB 3.38Å; V16-A20 PolarHBondContact O-N 3.47Å
17	E	51.8	Low	45.5	Very low	142 Å²	142	120.6 Å²	120.6	66%	0.664	67%	0.673	S	S	*	*	H	α-helix	trans	-67.7	-39.5	174.2	-81.4	-175.1	148.8	0	0	112.6	A19 A20 A21	E17-A19 VanDerWaalsContact C-N 3.32Å; E17-A19 PolarHBondContact O-N 3.21Å; E17-A20 PolarHBondContact O-N 3.17Å; E17-A21 WeakPolarHBondContact O-CB 3.21Å; E17-A21 PolarHBondContact O-N 2.92Å
18	V	54.4	Low	46.2	Very low	79 Å²	79	119.1 Å²	119.1	48%	0.479	67%	0.669	S	S	.	*	H	α-helix	trans	-68.2	-32.7	177.9	177.1	0	0	0	0	111.7	P14 K22	P14-V18 WeakPolarHBondContact O-CG2 3.48Å; P14-V18 PolarHBondContact O-N 3.37Å; V18-K22 HydrophobicContact CG1-CD 4.42Å; V18-K22 WeakPolarHBondContact O-CB 3.21Å; V18-K22 WeakPolarHBondContact O-CG 3.13Å; V18-K22 PolarHBondContact O-N 2.88Å
19	A	47.1	Very low	47.5	Very low	48 Å²	48	120.2 Å²	120.2	40%	0.397	67%	0.666	S	S	.	*	H	α-helix	trans	-72.2	-42.3	174	0	0	0	0	0	111.9	L15 V16 E17 A21 K22 L23	L15-A19 PolarHBondContact O-N 2.81Å; V16-A19 PolarHBondContact O-N 2.72Å; E17-A19 VanDerWaalsContact C-N 3.32Å; E17-A19 PolarHBondContact O-N 3.21Å; A19-A21 PolarHBondContact O-N 3.18Å; A19-K22 PolarHBondContact O-N 3.34Å; A19-L23 WeakPolarHBondContact O-CD1 3.46Å; A19-L23 PolarHBondContact O-N 2.67Å
20	A	47.6	Very low	48.5	Very low	52 Å²	52	117.6 Å²	117.6	43%	0.43	64%	0.642	S	S	.	*	H	α-helix	trans	-66.3	-36.5	178.2	0	0	0	0	0	112.8	V16 E17	V16-A20 WeakPolarHBondContact O-CB 3.38Å; V16-A20 PolarHBondContact O-N 3.47Å; E17-A20 PolarHBondContact O-N 3.17Å
21	A	50.3	Low	50.7	Low	55 Å²	55	118.3 Å²	118.3	46%	0.455	65%	0.646	S	S	.	*	H	α-helix	trans	-69.7	-31.6	174.9	0	0	0	0	0	112.8	E17 A19	E17-A21 WeakPolarHBondContact O-CB 3.21Å; E17-A21 PolarHBondContact O-N 2.92Å; A19-A21 PolarHBondContact O-N 3.18Å
22	K	47.7	Very low	52.8	Low	156 Å²	156	117 Å²	117	68%	0.678	63%	0.629	S	S	*	*	H	α-helix	trans	-79.1	-26.8	177	-77.9	179.2	177.3	-179.7	0	113.7	V18 A19	V18-K22 HydrophobicContact CG1-CD 4.42Å; V18-K22 WeakPolarHBondContact O-CB 3.21Å; V18-K22 WeakPolarHBondContact O-CG 3.13Å; V18-K22 PolarHBondContact O-N 2.88Å; A19-K22 PolarHBondContact O-N 3.34Å
23	L	44.5	Very low	54.7	Low	148 Å²	148	120.4 Å²	120.4	78%	0.775	64%	0.639	S	S	*	*	H	α-helix	trans	-81.5	-16.2	-179.5	-96.2	137.8	0	0	0	114.4	A19	A19-L23 WeakPolarHBondContact O-CD1 3.46Å; A19-L23 PolarHBondContact O-N 2.67Å
24	H	45.9	Very low	56.2	Low	171 Å²	171	122.1 Å²	122.1	79%	0.792	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	3.8	175.4	-80.9	-64.2	0	0	0	115	G26	H24-G26 PolarHBondContact O-N 3.07Å
25	L	45.5	Very low	57.4	Low	135 Å²	135	124.2 Å²	124.2	71%	0.707	65%	0.653	S	S	*	*			trans	-87	63.4	175.4	-67.7	167.5	0	0	0	110.8
26	G	39.1	Very low	58.7	Low	60 Å²	60	122.8 Å²	122.8	62%	0.619	65%	0.65	S	S	*	*			trans	-56.3	140	155.6	0	0	0	0	0	109.1	H24 Y28	H24-G26 PolarHBondContact O-N 3.07Å; G26-Y28 VanDerWaalsContact C-N 3.31Å; G26-Y28 PolarHBondContact O-N 3.33Å
27	H	47.3	Very low	59.5	Low	203 Å²	203	126 Å²	126	94%	0.94	67%	0.665	S	S	*	*			trans	-53.2	80.7	-179.7	-76.6	27.5	0	0	0	113.4
28	Y	51.4	Low	60.3	Low	195 Å²	195	124.5 Å²	124.5	77%	0.765	67%	0.667	S	S	*	*			trans	-99.3	100.3	163.9	-164.5	-101.4	0	0	0	108.7	G26 S30	G26-Y28 VanDerWaalsContact C-N 3.31Å; G26-Y28 PolarHBondContact O-N 3.33Å; Y28-S30 VanDerWaalsContact C-N 3.29Å; Y28-S30 PolarHBondContact O-N 2.97Å
29	N	55.9	Low	60.8	Low	156 Å²	156	128.6 Å²	128.6	83%	0.834	68%	0.681	S	S	*	*			trans	-71.5	82.8	178.5	-154.9	12	0	0	0	108.9
30	S	63.6	Low	61.5	Low	39 Å²	39	132.4 Å²	132.4	27%	0.273	69%	0.691	S	S	.	*			trans	-101.4	111.7	177.8	61.3	0	0	0	0	111.5	Y28 Y32	Y28-S30 VanDerWaalsContact C-N 3.29Å; Y28-S30 PolarHBondContact O-N 2.97Å; S30-Y32 PolarHBondContact O-N 3.18Å; S30-Y32 WeakPolarHBondContact OG-CE1 3.37Å
31	N	82.5	Confident	62.3	Low	168 Å²	168	137.5 Å²	137.5	90%	0.898	71%	0.705	S	S	*	*			trans	-67.1	15.1	171.6	-78.1	-20.2	0	0	0	114
32	Y	83	Confident	62.9	Low	148 Å²	148	142.5 Å²	142.5	58%	0.58	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-92.8	138.3	169.1	72.7	-100.9	0	0	0	109.3	S30 L34	S30-Y32 PolarHBondContact O-N 3.18Å; S30-Y32 WeakPolarHBondContact OG-CE1 3.37Å; Y32-L34 HydrophobicContact CD2-CD2 4.2Å; Y32-L34 HydrophobicContact CD2-CG 4.3Å; Y32-L34 HydrophobicContact CE2-CD2 3.71Å; Y32-L34 HydrophobicContact CE2-CG 3.83Å
33	K	83.2	Confident	64.4	Low	191 Å²	191	138.2 Å²	138.2	83%	0.83	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-97.5	125.5	170.9	-179.4	177.6	176.9	-177.9	0	108.5	V35	K33-V35 PolarHBondContact O-N 3.26Å
34	L	81.1	Confident	65.9	Low	103 Å²	103	137.2 Å²	137.2	54%	0.539	71%	0.712	S	S	.	*	P	Polyproline II helix	trans	-67.9	125.1	165.9	-66.5	170.2	0	0	0	108.6	Y32 V36	Y32-L34 HydrophobicContact CD2-CD2 4.2Å; Y32-L34 HydrophobicContact CD2-CG 4.3Å; Y32-L34 HydrophobicContact CE2-CD2 3.71Å; Y32-L34 HydrophobicContact CE2-CG 3.83Å; L34-V36 VanDerWaalsContact C-N 3.32Å
35	V	82.5	Confident	67.6	Low	145 Å²	145	136.5 Å²	136.5	88%	0.879	71%	0.706	S	S	*	*	S	Bend	trans	-72.5	-29.2	-176.3	179.4	0	0	0	0	111.6	K33	K33-V35 PolarHBondContact O-N 3.26Å
36	V	77.2	Confident	69.1	Low	114 Å²	114	131.4 Å²	131.4	69%	0.691	68%	0.682	S	S	*	*	S	Bend	trans	-123.8	120.2	178.2	-176.4	0	0	0	0	108.1	L34 P38	L34-V36 VanDerWaalsContact C-N 3.32Å; V36-P38 WeakPolarHBondContact O-CD 3.5Å
37	N	68.7	Low	71	Confident	139 Å²	139	131.1 Å²	131.1	74%	0.743	67%	0.674	S	S	*	*			trans	-78	119.2	167.6	-73.4	-38.1	0	0	0	107.8	H39	N37-H39 VanDerWaalsContact C-N 3.28Å; N37-H39 PolarHBondContact O-N 3.49Å
38	P	67.1	Low	72.8	Confident	109 Å²	109	128.5 Å²	128.5	71%	0.708	66%	0.66	S	S	*	*			trans	-78.9	-5.5	-173.4	30	-34.6	0	0	0	114.4	V36 E40	V36-P38 WeakPolarHBondContact O-CD 3.5Å; P38-E40 PolarHBondContact O-N 2.85Å
39	H	65.3	Low	74.3	Confident	166 Å²	166	123.5 Å²	123.5	77%	0.769	64%	0.644	S	S	*	*			trans	-88.9	87.6	178.5	-80.7	-68	0	0	0	110.9	N37	N37-H39 VanDerWaalsContact C-N 3.28Å; N37-H39 PolarHBondContact O-N 3.49Å
40	E	62.9	Low	75.6	Confident	128 Å²	128	118.7 Å²	118.7	60%	0.598	62%	0.618	S	S	*	*			trans	-74.5	120.5	161.7	-159.8	167.9	-173.7	0	0	108	P38 N42 N50	P38-E40 PolarHBondContact O-N 2.85Å; E40-N42 PolarHBondContact O-N 2.9Å; E40-N42 VanDerWaalsContact O-N 3.13Å; E40-N50 PolarHBondContact OE1-ND2 2.73Å
41	E	64.1	Low	76.7	Confident	158 Å²	158	120.6 Å²	120.6	74%	0.738	63%	0.628	S	S	*	*			trans	-66.6	111.8	178.8	-72.1	-178.4	170.6	0	0	109.9	T43 S46	E41-T43 PolarHBondContact O-N 3.34Å; E41-S46 PolarHBondContact O-OG 3.15Å
42	N	63	Low	76.9	Confident	161 Å²	161	114.7 Å²	114.7	86%	0.861	60%	0.598	S	S	*	*			trans	-76.9	59.8	179.2	-69.6	-27.6	0	0	0	112.5	E40	E40-N42 PolarHBondContact O-N 2.9Å; E40-N42 VanDerWaalsContact O-N 3.13Å
43	T	77.9	Confident	77	Confident	66 Å²	66	112.2 Å²	112.2	41%	0.405	59%	0.587	S	S	.	*			trans	-88.7	143.7	173.9	-59.7	0	0	0	0	110	E41 K45 S46 A47	E41-T43 PolarHBondContact O-N 3.34Å; T43-K45 HydrophobicContact CG2-CB 4.06Å; T43-K45 HydrophobicContact CG2-CG 4.38Å; T43-K45 PolarHBondContact O-N 2.68Å; T43-K45 VanDerWaalsContact O-N 3.12Å; T43-S46 PolarHBondContact N-OG 2.98Å; T43-S46 VanDerWaalsContact N-OG 3.08Å; T43-S46 PolarHBondContact O-N 3Å; T43-S46 PolarHBondContact O-OG 2.71Å; T43-A47 PolarHBondContact O-N 3.43Å
44	T	76.9	Confident	76.9	Confident	126 Å²	126	112.4 Å²	112.4	77%	0.773	58%	0.583	S	S	*	*	H	α-helix	trans	-57.3	-30.6	177.3	52.1	0	0	0	0	112.8	F48	T44-F48 PolarHBondContact O-N 2.9Å
45	K	80.8	Confident	77.3	Confident	156 Å²	156	113.1 Å²	113.1	68%	0.678	59%	0.587	S	S	*	*	H	α-helix	trans	-66.5	-47.4	172.2	-63.3	-176.2	178.5	-179.2	0	112.6	T43 A47 F48 E49	T43-K45 HydrophobicContact CG2-CB 4.06Å; T43-K45 HydrophobicContact CG2-CG 4.38Å; T43-K45 PolarHBondContact O-N 2.68Å; T43-K45 VanDerWaalsContact O-N 3.12Å; K45-A47 VanDerWaalsContact C-N 3.33Å; K45-A47 PolarHBondContact O-N 3.36Å; K45-F48 PolarHBondContact O-N 3.43Å; K45-E49 WeakPolarHBondContact O-CG 3.49Å; K45-E49 PolarHBondContact O-N 3Å
46	S	76.5	Confident	77.5	Confident	29 Å²	29	111.5 Å²	111.5	20%	0.203	57%	0.572	C	S	.	*	H	α-helix	trans	-66.8	-35.3	179.1	54	0	0	0	0	111.7	E41 T43 E49 N50	E41-S46 PolarHBondContact O-OG 3.15Å; T43-S46 PolarHBondContact N-OG 2.98Å; T43-S46 VanDerWaalsContact N-OG 3.08Å; T43-S46 PolarHBondContact O-N 3Å; T43-S46 PolarHBondContact O-OG 2.71Å; S46-E49 PolarHBondContact O-N 3.03Å; S46-N50 WeakPolarHBondContact O-CB 3.27Å; S46-N50 VanDerWaalsContact O-CG 3.24Å; S46-N50 PolarHBondContact O-N 2.92Å
47	A	79.3	Confident	78.2	Confident	54 Å²	54	110.6 Å²	110.6	45%	0.446	56%	0.563	S	S	.	*	H	α-helix	trans	-60.7	-46.4	172.4	0	0	0	0	0	112.2	T43 K45 N50 V51	T43-A47 PolarHBondContact O-N 3.43Å; K45-A47 VanDerWaalsContact C-N 3.33Å; K45-A47 PolarHBondContact O-N 3.36Å; A47-N50 PolarHBondContact O-N 2.99Å; A47-V51 WeakPolarHBondContact O-CG2 3.41Å; A47-V51 PolarHBondContact O-N 3.42Å
48	F	85	Confident	79.2	Confident	147 Å²	147	105.3 Å²	105.3	65%	0.645	54%	0.538	S	S	*	.	H	α-helix	trans	-65.8	-40.4	176.4	-176	-99.9	0	0	0	112.4	T44 K45 V51 T52	T44-F48 PolarHBondContact O-N 2.9Å; K45-F48 PolarHBondContact O-N 3.43Å; F48-V51 PolarHBondContact O-N 2.56Å; F48-T52 HydrophobicContact CD1-CG2 4.11Å; F48-T52 HydrophobicContact CE1-CG2 3.71Å; F48-T52 HydrophobicContact CE2-CG2 4.2Å; F48-T52 HydrophobicContact CZ-CG2 3.76Å; F48-T52 WeakPolarHBondContact O-CB 2.98Å; F48-T52 VanDerWaalsContact O-CG2 3.32Å; F48-T52 WeakPolarHBondContact O-CG2 3.06Å; F48-T52 PolarHBondContact O-N 2.93Å; F48-T52 PolarHBondContact O-OG1 2.75Å
49	E	84.5	Confident	80.3	Confident	91 Å²	91	104.2 Å²	104.2	43%	0.425	53%	0.527	S	S	.	.	H	α-helix	trans	-62	-42.5	174	-74.4	-179.9	-159.8	0	0	112.6	K45 S46 T52 R53	K45-E49 WeakPolarHBondContact O-CG 3.49Å; K45-E49 PolarHBondContact O-N 3Å; S46-E49 PolarHBondContact O-N 3.03Å; E49-T52 VanDerWaalsContact CA-OG1 3.31Å; E49-T52 WeakPolarHBondContact CA-OG1 3.09Å; E49-T52 PolarHBondContact O-N 2.91Å; E49-T52 PolarHBondContact O-OG1 3.15Å; E49-R53 WeakPolarHBondContact O-CB 3.45Å; E49-R53 VanDerWaalsContact O-CG 3.23Å; E49-R53 WeakPolarHBondContact O-CG 3.5Å; E49-R53 PolarHBondContact O-N 3.36Å; E49-R53 IonicContact OE2-CZ 2.79Å; E49-R53 IonicContact OE2-NH2 3.22Å; E49-R53 PolarHBondContact OE2-NH2 3.48Å
50	N	82.7	Confident	81.6	Confident	55 Å²	55	101.6 Å²	101.6	29%	0.294	52%	0.517	S	S	.	.	H	α-helix	trans	-66.1	-42.2	178.7	-75.1	-8.6	0	0	0	111.3	E40 S46 A47 R53 W54	E40-N50 PolarHBondContact OE1-ND2 2.73Å; S46-N50 WeakPolarHBondContact O-CB 3.27Å; S46-N50 VanDerWaalsContact O-CG 3.24Å; S46-N50 PolarHBondContact O-N 2.92Å; A47-N50 PolarHBondContact O-N 2.99Å; N50-R53 PolarHBondContact O-N 3.45Å; N50-R53 PolarHBondContact OD1-NH1 3.21Å; N50-W54 WeakPolarHBondContact O-CB 3.46Å; N50-W54 PolarHBondContact O-N 3.45Å
51	V	86.3	Confident	83	Confident	79 Å²	79	100.1 Å²	100.1	48%	0.479	51%	0.513	S	S	.	.	H	α-helix	trans	-64.3	-43.6	175.8	172.4	0	0	0	0	111.4	A47 F48 W54 L55	A47-V51 WeakPolarHBondContact O-CG2 3.41Å; A47-V51 PolarHBondContact O-N 3.42Å; F48-V51 PolarHBondContact O-N 2.56Å; V51-W54 PolarHBondContact O-N 3.45Å; V51-L55 HydrophobicContact CG1-CD1 3.99Å; V51-L55 HydrophobicContact CG1-CG 4.42Å; V51-L55 WeakPolarHBondContact O-CG 3.19Å; V51-L55 PolarHBondContact O-N 2.79Å
52	T	86.5	Confident	84.4	Confident	43 Å²	43	100.1 Å²	100.1	26%	0.264	51%	0.506	S	S	.	.	H	α-helix	trans	-67	-41.2	177.8	50.9	0	0	0	0	112.2	F48 E49 W54 L55 I56	F48-T52 HydrophobicContact CD1-CG2 4.11Å; F48-T52 HydrophobicContact CE1-CG2 3.71Å; F48-T52 HydrophobicContact CE2-CG2 4.2Å; F48-T52 HydrophobicContact CZ-CG2 3.76Å; F48-T52 WeakPolarHBondContact O-CB 2.98Å; F48-T52 VanDerWaalsContact O-CG2 3.32Å; F48-T52 WeakPolarHBondContact O-CG2 3.06Å; F48-T52 PolarHBondContact O-N 2.93Å; F48-T52 PolarHBondContact O-OG1 2.75Å; E49-T52 VanDerWaalsContact CA-OG1 3.31Å; E49-T52 WeakPolarHBondContact CA-OG1 3.09Å; E49-T52 PolarHBondContact O-N 2.91Å; E49-T52 PolarHBondContact O-OG1 3.15Å; T52-W54 VanDerWaalsContact C-N 3.32Å; T52-W54 PolarHBondContact O-N 3.31Å; T52-L55 PolarHBondContact O-N 2.83Å; T52-I56 WeakPolarHBondContact O-CB 3.24Å; T52-I56 WeakPolarHBondContact O-CG1 3.44Å; T52-I56 PolarHBondContact O-N 2.64Å
53	R	84.5	Confident	85.9	Confident	97 Å²	97	94 Å²	94	37%	0.366	48%	0.481	S	S	.	.	H	α-helix	trans	-60	-40.9	172.7	-74.6	179.3	-142.5	158.8	6.9	111.9	E49 N50 L57 A58	E49-R53 WeakPolarHBondContact O-CB 3.45Å; E49-R53 VanDerWaalsContact O-CG 3.23Å; E49-R53 WeakPolarHBondContact O-CG 3.5Å; E49-R53 PolarHBondContact O-N 3.36Å; E49-R53 IonicContact OE2-CZ 2.79Å; E49-R53 IonicContact OE2-NH2 3.22Å; E49-R53 PolarHBondContact OE2-NH2 3.48Å; N50-R53 PolarHBondContact O-N 3.45Å; N50-R53 PolarHBondContact OD1-NH1 3.21Å; R53-L57 PolarHBondContact O-N 2.98Å; R53-L57 VanDerWaalsContact O-N 3.11Å; R53-A58 HydrophobicContact CB-CB 4.38Å; R53-A58 HydrophobicContact CG-CB 4.39Å; R53-A58 PolarHBondContact O-N 3.36Å
54	W	82.7	Confident	86.7	Confident	194 Å²	194	95.8 Å²	95.8	74%	0.735	49%	0.488	S	S	*	.	H	α-helix	trans	-66.7	-47.7	177.4	-178.1	75.8	0	0	0	112.1	N50 V51 T52 L57	N50-W54 WeakPolarHBondContact O-CB 3.46Å; N50-W54 PolarHBondContact O-N 3.45Å; V51-W54 PolarHBondContact O-N 3.45Å; T52-W54 VanDerWaalsContact C-N 3.32Å; T52-W54 PolarHBondContact O-N 3.31Å; W54-L57 PolarHBondContact O-N 3.35Å
55	L	88.6	Confident	87.5	Confident	118 Å²	118	99.6 Å²	99.6	62%	0.618	49%	0.488	S	S	*	.	H	α-helix	trans	-65.4	-39	178.8	-72.9	174.6	0	0	0	113.3	V51 T52 L57	V51-L55 HydrophobicContact CG1-CD1 3.99Å; V51-L55 HydrophobicContact CG1-CG 4.42Å; V51-L55 WeakPolarHBondContact O-CG 3.19Å; V51-L55 PolarHBondContact O-N 2.79Å; T52-L55 PolarHBondContact O-N 2.83Å; L55-L57 VanDerWaalsContact C-N 3.25Å; L55-L57 PolarHBondContact O-N 3.41Å
56	I	88.1	Confident	88.2	Confident	111 Å²	111	97.6 Å²	97.6	57%	0.569	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-5.7	179.9	-62.6	169	0	0	0	111.5	T52 A58	T52-I56 WeakPolarHBondContact O-CB 3.24Å; T52-I56 WeakPolarHBondContact O-CG1 3.44Å; T52-I56 PolarHBondContact O-N 2.64Å; I56-A58 HydrophobicContact CG2-CB 4.41Å; I56-A58 PolarHBondContact O-N 3.44Å
57	L	90.3	Very high	89.1	Confident	96 Å²	96	100.1 Å²	100.1	50%	0.503	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	37.7	-172.7	-57	168.9	0	0	0	111.3	R53 W54 L55 D59 I60 L61	R53-L57 PolarHBondContact O-N 2.98Å; R53-L57 VanDerWaalsContact O-N 3.11Å; W54-L57 PolarHBondContact O-N 3.35Å; L55-L57 VanDerWaalsContact C-N 3.25Å; L55-L57 PolarHBondContact O-N 3.41Å; L57-D59 VanDerWaalsContact C-N 3.29Å; L57-D59 PolarHBondContact O-N 2.75Å; L57-I60 HydrophobicContact CB-CB 4.17Å; L57-I60 HydrophobicContact CB-CD1 4.18Å; L57-I60 HydrophobicContact CB-CG1 4.28Å; L57-I60 HydrophobicContact CD2-CD1 3.78Å; L57-I60 HydrophobicContact CG-CD1 4.4Å; L57-I60 WeakPolarHBondContact O-CA 3.42Å; L57-I60 WeakPolarHBondContact O-CB 3.38Å; L57-I60 PolarHBondContact O-N 2.96Å; L57-L61 PolarHBondContact O-N 3Å
58	A	89.8	Confident	89.8	Confident	28 Å²	28	103.1 Å²	103.1	23%	0.231	50%	0.501	C	S	.	.	H	α-helix	trans	-60.8	-37.2	-168	0	0	0	0	0	112.5	R53 I56 L61 R62	R53-A58 HydrophobicContact CB-CB 4.38Å; R53-A58 HydrophobicContact CG-CB 4.39Å; R53-A58 PolarHBondContact O-N 3.36Å; I56-A58 HydrophobicContact CG2-CB 4.41Å; I56-A58 PolarHBondContact O-N 3.44Å; A58-L61 PolarHBondContact O-N 3.03Å; A58-R62 WeakPolarHBondContact O-CB 3.25Å; A58-R62 PolarHBondContact O-N 3.09Å
59	D	91.2	Very high	90.2	Very high	86 Å²	86	97.7 Å²	97.7	46%	0.46	49%	0.487	S	S	.	.	H	α-helix	trans	-71.8	-33.2	176.7	-66.9	-41	0	0	0	112.2	L57 R62 G63	L57-D59 VanDerWaalsContact C-N 3.29Å; L57-D59 PolarHBondContact O-N 2.75Å; D59-R62 PolarHBondContact O-N 3Å; D59-R62 IonicContact OD1-CZ 3.96Å; D59-R62 IonicContact OD1-NH1 2.82Å; D59-R62 PolarHBondContact OD1-NH1 3.28Å; D59-R62 IonicContact OD1-NH2 2.79Å; D59-G63 PolarHBondContact O-N 3.29Å
60	I	92.5	Very high	90.7	Very high	110 Å²	110	98.1 Å²	98.1	56%	0.564	49%	0.49	S	S	*	.	H	α-helix	trans	-65.9	-45.3	172.5	-55.6	-172	0	0	0	109.8	L57 R62 G63 L64	L57-I60 HydrophobicContact CB-CB 4.17Å; L57-I60 HydrophobicContact CB-CD1 4.18Å; L57-I60 HydrophobicContact CB-CG1 4.28Å; L57-I60 HydrophobicContact CD2-CD1 3.78Å; L57-I60 HydrophobicContact CG-CD1 4.4Å; L57-I60 WeakPolarHBondContact O-CA 3.42Å; L57-I60 WeakPolarHBondContact O-CB 3.38Å; L57-I60 PolarHBondContact O-N 2.96Å; I60-R62 VanDerWaalsContact C-N 3.31Å; I60-R62 PolarHBondContact O-N 2.77Å; I60-G63 PolarHBondContact O-N 3.16Å; I60-L64 WeakPolarHBondContact O-CB 3.41Å; I60-L64 PolarHBondContact O-N 3.18Å
61	L	92.9	Very high	91.2	Very high	97 Å²	97	101.3 Å²	101.3	51%	0.508	51%	0.506	S	S	.	.	H	α-helix	trans	-63.6	-36.3	175.8	-70.7	174.6	0	0	0	112.1	L57 A58 L64 R65	L57-L61 PolarHBondContact O-N 3Å; A58-L61 PolarHBondContact O-N 3.03Å; L61-L64 PolarHBondContact O-N 3.17Å; L61-R65 WeakPolarHBondContact O-CB 3.25Å; L61-R65 PolarHBondContact O-N 3.41Å
62	R	92.1	Very high	91.6	Very high	158 Å²	158	105.1 Å²	105.1	60%	0.596	52%	0.516	S	S	*	.	H	α-helix	trans	-63.5	-44.2	173.6	-169.9	-174.5	-68.9	137	2.9	111.2	A58 D59 I60 R65 L66	A58-R62 WeakPolarHBondContact O-CB 3.25Å; A58-R62 PolarHBondContact O-N 3.09Å; D59-R62 PolarHBondContact O-N 3Å; D59-R62 IonicContact OD1-CZ 3.96Å; D59-R62 IonicContact OD1-NH1 2.82Å; D59-R62 PolarHBondContact OD1-NH1 3.28Å; D59-R62 IonicContact OD1-NH2 2.79Å; I60-R62 VanDerWaalsContact C-N 3.31Å; I60-R62 PolarHBondContact O-N 2.77Å; R62-R65 PolarHBondContact O-N 3.47Å; R62-L66 PolarHBondContact O-N 3.11Å
63	G	94.4	Very high	92	Very high	33 Å²	33	109.6 Å²	109.6	34%	0.34	53%	0.532	S	S	.	.	H	α-helix	trans	-63.2	-45.6	173.8	0	0	0	0	0	112.7	D59 I60 R65 L66 T67	D59-G63 PolarHBondContact O-N 3.29Å; I60-G63 PolarHBondContact O-N 3.16Å; G63-R65 VanDerWaalsContact C-N 3.32Å; G63-R65 PolarHBondContact O-N 3.44Å; G63-L66 WeakPolarHBondContact O-CB 3.44Å; G63-L66 PolarHBondContact O-N 3.3Å; G63-L66 VanDerWaalsContact O-N 3.1Å; G63-T67 PolarHBondContact O-N 3.05Å; G63-T67 VanDerWaalsContact O-N 3.09Å
64	L	95.1	Very high	92.5	Very high	104 Å²	104	113.7 Å²	113.7	55%	0.545	56%	0.555	S	S	.	*	H	α-helix	trans	-60.8	-41.3	177.8	-175.3	64.4	0	0	0	111.3	I60 L61 L66 T67 F68	I60-L64 WeakPolarHBondContact O-CB 3.41Å; I60-L64 PolarHBondContact O-N 3.18Å; L61-L64 PolarHBondContact O-N 3.17Å; L64-L66 VanDerWaalsContact C-N 3.29Å; L64-L66 PolarHBondContact O-N 3.28Å; L64-T67 WeakPolarHBondContact CA-OG1 3.32Å; L64-T67 PolarHBondContact O-N 3.23Å; L64-T67 VanDerWaalsContact O-N 3.15Å; L64-T67 PolarHBondContact O-OG1 3.45Å; L64-F68 WeakPolarHBondContact O-CB 3.25Å; L64-F68 PolarHBondContact O-N 2.83Å
65	R	93.9	Very high	93	Very high	205 Å²	205	108.9 Å²	108.9	77%	0.774	55%	0.549	S	S	*	.	H	α-helix	trans	-59	-38.5	174.9	-177.3	176.5	179.1	169.6	0.6	112.5	L61 R62 G63 F68 G69	L61-R65 WeakPolarHBondContact O-CB 3.25Å; L61-R65 PolarHBondContact O-N 3.41Å; R62-R65 PolarHBondContact O-N 3.47Å; G63-R65 VanDerWaalsContact C-N 3.32Å; G63-R65 PolarHBondContact O-N 3.44Å; R65-F68 PolarHBondContact O-N 3.22Å; R65-G69 PolarHBondContact O-N 2.98Å
66	L	94.9	Very high	93.2	Very high	114 Å²	114	108.5 Å²	108.5	60%	0.597	56%	0.563	S	S	*	*	H	α-helix	trans	-65.4	-45.4	175	-68	172.1	0	0	0	111.1	R62 G63 L64 F68 G69 M70	R62-L66 PolarHBondContact O-N 3.11Å; G63-L66 WeakPolarHBondContact O-CB 3.44Å; G63-L66 PolarHBondContact O-N 3.3Å; G63-L66 VanDerWaalsContact O-N 3.1Å; L64-L66 VanDerWaalsContact C-N 3.29Å; L64-L66 PolarHBondContact O-N 3.28Å; L66-F68 VanDerWaalsContact C-N 3.33Å; L66-F68 PolarHBondContact O-N 3Å; L66-G69 PolarHBondContact O-N 2.76Å; L66-M70 WeakPolarHBondContact O-CG 3.41Å; L66-M70 PolarHBondContact O-N 2.88Å
67	T	95.1	Very high	93.5	Very high	83 Å²	83	108.6 Å²	108.6	51%	0.509	57%	0.569	S	S	.	*	H	α-helix	trans	-63.6	-39.2	176.9	61.8	0	0	0	0	112.2	G63 L64 G69 M70	G63-T67 PolarHBondContact O-N 3.05Å; G63-T67 VanDerWaalsContact O-N 3.09Å; L64-T67 WeakPolarHBondContact CA-OG1 3.32Å; L64-T67 PolarHBondContact O-N 3.23Å; L64-T67 VanDerWaalsContact O-N 3.15Å; L64-T67 PolarHBondContact O-OG1 3.45Å; T67-G69 VanDerWaalsContact C-N 3.28Å; T67-G69 PolarHBondContact O-N 3.35Å; T67-M70 WeakPolarHBondContact O-CB 3.48Å; T67-M70 PolarHBondContact O-N 2.98Å
68	F	94.4	Very high	93.7	Very high	116 Å²	116	109.1 Å²	109.1	51%	0.509	57%	0.572	S	S	.	*	H	α-helix	trans	-63.5	-35.6	175.9	-167.4	-102.4	0	0	0	111.6	L64 R65 L66 M70 I71 F72	L64-F68 WeakPolarHBondContact O-CB 3.25Å; L64-F68 PolarHBondContact O-N 2.83Å; R65-F68 PolarHBondContact O-N 3.22Å; L66-F68 VanDerWaalsContact C-N 3.33Å; L66-F68 PolarHBondContact O-N 3Å; F68-M70 PolarHBondContact O-N 3.05Å; F68-I71 HydrophobicContact CD2-CD1 3.87Å; F68-I71 HydrophobicContact CE2-CD1 4.31Å; F68-I71 WeakPolarHBondContact O-CB 3.32Å; F68-I71 PolarHBondContact O-N 3.43Å; F68-F72 AromaticContact CD1-CE2 3.79Å; F68-F72 HydrophobicContact CD1-CE2 3.79Å; F68-F72 AromaticContact CE1-CE2 3.45Å; F68-F72 HydrophobicContact CE1-CE2 3.45Å; F68-F72 VanDerWaalsContact CE1-CE2 3.45Å; F68-F72 AromaticContact CE1-CZ 3.8Å; F68-F72 HydrophobicContact CE1-CZ 3.8Å; F68-F72 HydrophobicContact CZ-CE2 4.05Å; F68-F72 HydrophobicContact CZ-CZ 4.01Å; F68-F72 WeakPolarHBondContact O-CD2 3.44Å
69	G	94.1	Very high	93.9	Very high	33 Å²	33	112.2 Å²	112.2	34%	0.34	59%	0.585	S	S	.	*	H	α-helix	trans	-62.1	-24.6	171.4	0	0	0	0	0	114.1	R65 L66 T67	R65-G69 PolarHBondContact O-N 2.98Å; L66-G69 PolarHBondContact O-N 2.76Å; T67-G69 VanDerWaalsContact C-N 3.28Å; T67-G69 PolarHBondContact O-N 3.35Å
70	M	94.6	Very high	94.1	Very high	101 Å²	101	114.6 Å²	114.6	50%	0.498	59%	0.588	S	S	.	*	H	α-helix	trans	-79.2	-22.6	177.9	-51	-40.7	174.6	0	0	112.9	L66 T67 F68 F72 K73	L66-M70 WeakPolarHBondContact O-CG 3.41Å; L66-M70 PolarHBondContact O-N 2.88Å; T67-M70 WeakPolarHBondContact O-CB 3.48Å; T67-M70 PolarHBondContact O-N 2.98Å; F68-M70 PolarHBondContact O-N 3.05Å; M70-F72 PolarHBondContact O-N 2.74Å; M70-K73 PolarHBondContact O-N 2.76Å; M70-K73 VanDerWaalsContact O-N 3.09Å; M70-K73 HydrophobicContact SD-CD 3.91Å; M70-K73 PolarHBondContact SD-NZ 3.35Å; M70-K73 VanDerWaalsContact SD-NZ 3.43Å
71	I	94.2	Very high	94.2	Very high	122 Å²	122	113 Å²	113	63%	0.626	59%	0.585	S	S	*	*	H	α-helix	trans	-61.9	-29.5	176.5	-61.2	175.2	0	0	0	111.2	F68	F68-I71 HydrophobicContact CD2-CD1 3.87Å; F68-I71 HydrophobicContact CE2-CD1 4.31Å; F68-I71 WeakPolarHBondContact O-CB 3.32Å; F68-I71 PolarHBondContact O-N 3.43Å
72	F	94.4	Very high	94.3	Very high	158 Å²	158	116.8 Å²	116.8	69%	0.693	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	-0.2	179	-58.2	-71.6	0	0	0	114.2	F68 M70	F68-F72 AromaticContact CD1-CE2 3.79Å; F68-F72 HydrophobicContact CD1-CE2 3.79Å; F68-F72 AromaticContact CE1-CE2 3.45Å; F68-F72 HydrophobicContact CE1-CE2 3.45Å; F68-F72 VanDerWaalsContact CE1-CE2 3.45Å; F68-F72 AromaticContact CE1-CZ 3.8Å; F68-F72 HydrophobicContact CE1-CZ 3.8Å; F68-F72 HydrophobicContact CZ-CE2 4.05Å; F68-F72 HydrophobicContact CZ-CZ 4.01Å; F68-F72 WeakPolarHBondContact O-CD2 3.44Å; M70-F72 PolarHBondContact O-N 2.74Å
73	K	94.8	Very high	94.4	Very high	138 Å²	138	114.2 Å²	114.2	60%	0.6	59%	0.592	S	S	*	*	S	Bend	trans	-87.1	146.7	173.9	-68.5	-176	177.9	176.6	0	109.7	M70	M70-K73 PolarHBondContact O-N 2.76Å; M70-K73 VanDerWaalsContact O-N 3.09Å; M70-K73 HydrophobicContact SD-CD 3.91Å; M70-K73 PolarHBondContact SD-NZ 3.35Å; M70-K73 VanDerWaalsContact SD-NZ 3.43Å
74	E	94.2	Very high	94.4	Very high	182 Å²	182	117.9 Å²	117.9	85%	0.85	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-62.2	135.5	172.2	-169.3	175.6	177.9	0	0	110.3
75	P	93.6	Very high	94.3	Very high	93 Å²	93	114.7 Å²	114.7	60%	0.604	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-69	133	177.7	29	-34.5	0	0	0	110.4	T77	P75-T77 HydrophobicContact CB-CG2 4.39Å; P75-T77 PolarHBondContact O-N 2.97Å
76	A	92.8	Very high	94.3	Very high	111 Å²	111	111.3 Å²	111.3	92%	0.917	60%	0.596	S	S	*	*			trans	-79.2	28.8	176.2	0	0	0	0	0	113
77	T	94.5	Very high	94.2	Very high	112 Å²	112	110.3 Å²	110.3	69%	0.687	59%	0.591	S	S	*	*			trans	-89.3	126.6	-176.9	51.9	0	0	0	0	110.7	P75	P75-T77 HydrophobicContact CB-CG2 4.39Å; P75-T77 PolarHBondContact O-N 2.97Å
78	L	93.6	Very high	94.2	Very high	107 Å²	107	109.6 Å²	109.6	56%	0.56	59%	0.589	S	S	*	*			trans	-83.4	143.5	170	-62.1	171.9	0	0	0	110.2	Y80	L78-Y80 VanDerWaalsContact C-N 3.31Å; L78-Y80 PolarHBondContact O-N 2.87Å
79	N	95.3	Very high	94.2	Very high	94 Å²	94	106.9 Å²	106.9	50%	0.503	58%	0.583	S	S	.	*			trans	-84.7	72	176.3	-170.9	11.6	0	0	0	111.7	F82 E83	N79-F82 PolarHBondContact O-N 3.41Å; N79-E83 PolarHBondContact N-OE2 2.92Å; N79-E83 PolarHBondContact O-N 3.08Å
80	Y	95.2	Very high	94.2	Very high	135 Å²	135	110.8 Å²	110.8	53%	0.529	59%	0.587	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.6	130.4	173.6	-170.5	-97.4	0	0	0	109.9	L78 E168	L78-Y80 VanDerWaalsContact C-N 3.31Å; L78-Y80 PolarHBondContact O-N 2.87Å; Y80-E168 VanDerWaalsContact OH-CD 3.3Å; Y80-E168 PolarHBondContact OH-OE1 3.45Å; Y80-E168 VanDerWaalsContact OH-OE1 3.08Å
81	P	94.6	Very high	94.3	Very high	77 Å²	77	109.2 Å²	109.2	50%	0.5	58%	0.578	S	S	.	*	T	Hydrogen-bonded Turn	cis	-99.2	1.5	17.8	37.8	-37.1	0	0	0	116.2
82	F	95.2	Very high	94.4	Very high	176 Å²	176	109.5 Å²	109.5	77%	0.772	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	-31.5	-176.1	-58.1	-72.3	0	0	0	112.7	N79	N79-F82 PolarHBondContact O-N 3.41Å
83	E	94.7	Very high	94.5	Very high	104 Å²	104	102.1 Å²	102.1	49%	0.486	54%	0.54	S	S	.	.	S	Bend	trans	-116.2	128.3	173.4	-65.2	172.8	176.2	0	0	109.1	N79	N79-E83 PolarHBondContact N-OE2 2.92Å; N79-E83 PolarHBondContact O-N 3.08Å
84	K	92.8	Very high	94.6	Very high	110 Å²	110	95.8 Å²	95.8	48%	0.478	51%	0.512	S	S	.	.			trans	-107.8	151.8	178.4	-63.1	-169.1	179.7	-160	0	110.6	F167 E168	K84-F167 HydrophobicContact CD-CZ 4.33Å; K84-E168 VanDerWaalsContact CE-OE1 3.3Å; K84-E168 WeakPolarHBondContact CE-OE1 3.45Å; K84-E168 IonicContact NZ-OE1 2.72Å; K84-E168 PolarHBondContact NZ-OE1 2.7Å; K84-E168 IonicContact NZ-OE2 2.94Å; K84-E168 PolarHBondContact NZ-OE2 3.15Å
85	G	93.4	Very high	94.7	Very high	38 Å²	38	87.3 Å²	87.3	39%	0.392	47%	0.473	S	S	.	.			trans	-62.7	149.3	174.3	0	0	0	0	0	111.6	L87	G85-L87 PolarHBondContact O-N 3.47Å
86	P	93.7	Very high	94.9	Very high	133 Å²	133	82.9 Å²	82.9	86%	0.864	44%	0.444	S	S	*	.			trans	-66.2	127.5	176.8	27.6	-33.8	0	0	0	110.4
87	L	93.8	Very high	95.1	Very high	94 Å²	94	77.8 Å²	77.8	49%	0.492	40%	0.401	S	S	.	.			trans	-109	142.2	177.3	-66	174.4	0	0	0	110.8	G85 F91 F167	G85-L87 PolarHBondContact O-N 3.47Å; L87-F91 HydrophobicContact CD2-CD2 3.76Å; L87-F91 HydrophobicContact CD2-CE2 4.02Å; L87-F91 HydrophobicContact CD2-CG 4.04Å; L87-F167 HydrophobicContact CD1-CD1 3.97Å; L87-F167 HydrophobicContact CD1-CE1 3.55Å; L87-F167 HydrophobicContact CD1-CZ 4.48Å
88	S	94.5	Very high	95.2	Very high	67 Å²	67	73.4 Å²	73.4	47%	0.469	37%	0.372	S	S	.	.			trans	-82.1	154	171.8	68.1	0	0	0	0	111	R90 F91	S88-R90 PolarHBondContact O-N 2.89Å; S88-F91 WeakPolarHBondContact O-CB 3.47Å; S88-F91 PolarHBondContact O-N 3.32Å; S88-F91 PolarHBondContact OG-N 3.01Å
89	P	93.9	Very high	95.3	Very high	59 Å²	59	71.9 Å²	71.9	38%	0.383	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-16.8	172.3	-25	34.7	0	0	0	114.8	F91 N198 A201	P89-F91 VanDerWaalsContact C-N 3.32Å; P89-N198 HydrophobicContact CB-CB 4.35Å; P89-A201 HydrophobicContact CB-CB 4.17Å; P89-A201 HydrophobicContact CG-CB 4.28Å
90	R	95.3	Very high	95.2	Very high	115 Å²	115	71.4 Å²	71.4	43%	0.434	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	6.1	177.4	-63.5	-179.1	178.1	88.4	16.9	113.7	S88 D202	S88-R90 PolarHBondContact O-N 2.89Å; R90-D202 WeakPolarHBondContact CG-OD1 3.31Å; R90-D202 IonicContact CZ-OD1 2.7Å; R90-D202 IonicContact NE-OD1 3.59Å; R90-D202 PolarHBondContact NE-OD1 3.46Å; R90-D202 IonicContact NH2-OD1 3.99Å; R90-D202 PolarHBondContact NH2-OD1 3.31Å
91	F	96.1	Very high	95.1	Very high	69 Å²	69	71.1 Å²	71.1	30%	0.303	37%	0.366	S	S	.	.			trans	-60.7	141.1	-179.5	179.1	-100.4	0	0	0	110.3	L87 S88 P89 F167	L87-F91 HydrophobicContact CD2-CD2 3.76Å; L87-F91 HydrophobicContact CD2-CE2 4.02Å; L87-F91 HydrophobicContact CD2-CG 4.04Å; S88-F91 WeakPolarHBondContact O-CB 3.47Å; S88-F91 PolarHBondContact O-N 3.32Å; S88-F91 PolarHBondContact OG-N 3.01Å; P89-F91 VanDerWaalsContact C-N 3.32Å; F91-F167 HydrophobicContact CE1-CB 3.87Å; F91-F167 HydrophobicContact CE1-CD1 4.05Å; F91-F167 HydrophobicContact CE1-CG 4.33Å; F91-F167 HydrophobicContact CZ-CB 3.84Å; F91-F167 HydrophobicContact CZ-CD1 4.34Å; F91-F167 HydrophobicContact CZ-CG 4.31Å
92	R	96.3	Very high	95	Very high	128 Å²	128	72.3 Å²	72.3	48%	0.483	38%	0.375	S	S	.	.			trans	-111.3	108.9	-174.7	-67.2	-168.1	-73.4	-89.2	2.2	109.4	Y148 E163	R92-Y148 PolarHBondContact NE-O 3.18Å; R92-E163 HydrophobicContact CB-CB 4.42Å; R92-E163 WeakPolarHBondContact CB-OE2 2.91Å; R92-E163 WeakPolarHBondContact CD-OE2 3.14Å; R92-E163 WeakPolarHBondContact CG-OE2 2.95Å
93	G	95.6	Very high	94.8	Very high	3 Å²	3	65.7 Å²	65.7	3%	0.031	36%	0.357	C	S	.	.			trans	-127.7	-138.7	-177.6	0	0	0	0	0	113.6	Y148 G164 N166	G93-Y148 WeakPolarHBondContact O-CD1 3.3Å; G93-G164 CarbonylContact C-O 3.5Å; G93-G164 WeakPolarHBondContact CA-O 3.32Å; G93-G164 PolarHBondContact N-O 2.81Å; G93-N166 CarbonylContact C-O 3.58Å; G93-N166 WeakPolarHBondContact CA-O 3.1Å
94	E	96.8	Very high	94.7	Very high	4 Å²	4	64 Å²	64	2%	0.019	35%	0.35	C	S	.	.	S	Bend	trans	-61.9	134.8	-177	-165.1	179.3	-168.5	0	0	111.6	M143 G164 N166 Y169 Y179 N187	E94-M143 HydrophobicContact CG-CE 4.4Å; E94-G164 WeakPolarHBondContact O-CA 3.41Å; E94-G164 PolarHBondContact O-N 3.5Å; E94-N166 HydrophobicContact CB-CB 3.98Å; E94-N166 PolarHBondContact N-O 2.98Å; E94-N166 PolarHBondContact OE2-ND2 3.23Å; E94-Y169 HydrophobicContact CB-CD1 3.76Å; E94-Y169 HydrophobicContact CB-CE1 3.6Å; E94-Y169 HydrophobicContact CB-CG 4.43Å; E94-Y169 HydrophobicContact CG-CD1 4.04Å; E94-Y169 HydrophobicContact CG-CD2 4.4Å; E94-Y169 HydrophobicContact CG-CE1 4.1Å; E94-Y169 HydrophobicContact CG-CE2 4.46Å; E94-Y169 HydrophobicContact CG-CG 4.2Å; E94-Y179 HydrophobicContact CG-CE2 3.88Å; E94-Y179 VanDerWaalsContact OE1-CE2 3.32Å; E94-Y179 WeakPolarHBondContact OE1-CE2 3.14Å; E94-Y179 PolarHBondContact OE1-OH 3.49Å; E94-N187 PolarHBondContact OE1-ND2 3.43Å
95	H	97.4	Very high	94.8	Very high	4 Å²	4	59.5 Å²	59.5	2%	0.019	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	143.7	-179.3	-67.7	46.8	0	0	0	111.3	I141 C146 Y148 V162 E163 L184 N187	H95-I141 HydrophobicContact CB-CD1 3.93Å; H95-C146 PolarHBondContact CE1-SG 3.39Å; H95-Y148 AromaticContact CE1-CD1 3.91Å; H95-V162 WeakPolarHBondContact CA-O 3.32Å; H95-E163 IonicContact CE1-OE1 3.48Å; H95-E163 IonicContact NE2-OE1 3.21Å; H95-L184 HydrophobicContact CB-CD2 3.79Å; H95-L184 WeakPolarHBondContact O-CD2 3.26Å; H95-N187 PolarHBondContact O-ND2 3.44Å
96	A	97.4	Very high	94.8	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.008	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	140.5	179.6	0	0	0	0	0	111.3	V162 N187 I195	A96-V162 HydrophobicContact CB-CG2 4.12Å; A96-V162 PolarHBondContact N-O 3.19Å; A96-V162 PolarHBondContact O-N 3.35Å; A96-N187 HydrophobicContact CB-CB 4.24Å; A96-I195 HydrophobicContact CB-CD1 3.81Å
97	L	97.1	Very high	95	Very high	3 Å²	3	54 Å²	54	2%	0.016	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	126.2	170.5	-78.5	175.1	0	0	0	109.9	Y139 A160 I161 K181 L184 L185 G188	L97-Y139 HydrophobicContact CD1-CD1 3.99Å; L97-Y139 HydrophobicContact CD1-CE1 4.49Å; L97-Y139 HydrophobicContact CD1-CG 4.21Å; L97-Y139 HydrophobicContact CD2-CE1 4.31Å; L97-A160 WeakPolarHBondContact CA-O 3.49Å; L97-I161 HydrophobicContact CD2-CB 4.06Å; L97-K181 HydrophobicContact CD1-CG 4.17Å; L97-L184 HydrophobicContact CB-CB 4.2Å; L97-L184 HydrophobicContact CD1-CB 3.87Å; L97-L184 HydrophobicContact CD1-CD1 4.28Å; L97-L184 HydrophobicContact CG-CB 3.87Å; L97-L184 PolarHBondContact N-O 3.26Å; L97-L185 HydrophobicContact CB-CD2 3.72Å; L97-L185 HydrophobicContact CB-CG 4.15Å; L97-L185 HydrophobicContact CD1-CD2 4.47Å; L97-L185 HydrophobicContact CD1-CG 4.32Å; L97-G188 WeakPolarHBondContact O-CA 3.41Å
98	R	96.1	Very high	95	Very high	20 Å²	20	52.8 Å²	52.8	8%	0.075	28%	0.275	C	S	.	.			trans	-99.2	159.7	-173.4	-61.7	-179.5	71.4	-159.1	8.4	113.3	R106 A160 V162 E192 I195 L199	R98-R106 PolarHBondContact O-N 3.01Å; R98-R106 VanDerWaalsContact O-N 3.08Å; R98-A160 PolarHBondContact N-O 3.26Å; R98-V162 HydrophobicContact CG-CG1 4.36Å; R98-V162 HydrophobicContact CG-CG2 3.82Å; R98-E192 WeakPolarHBondContact CG-OE2 3.36Å; R98-E192 IonicContact CZ-OE1 2.84Å; R98-E192 IonicContact CZ-OE2 3.3Å; R98-E192 IonicContact NE-OE1 3.07Å; R98-E192 PolarHBondContact NE-OE1 2.86Å; R98-E192 IonicContact NE-OE2 2.84Å; R98-E192 PolarHBondContact NE-OE2 2.93Å; R98-E192 IonicContact NH2-OE1 3.3Å; R98-E192 PolarHBondContact NH2-OE1 3.38Å; R98-E192 IonicContact NH2-OE2 3.41Å; R98-I195 HydrophobicContact CG-CG2 4.36Å; R98-L199 VanDerWaalsContact CZ-CD1 3.44Å
99	R	95.7	Very high	95	Very high	76 Å²	76	49.7 Å²	49.7	29%	0.287	25%	0.254	S	S	.	.	B	Isolated β-bridge	trans	-108.8	158.2	175.2	-61.3	175.8	-170.7	-78.4	-1.8	111.4	G103 E104 R106 D189	R99-G103 WeakPolarHBondContact CD-O 3.38Å; R99-G103 PolarHBondContact NH1-O 3.08Å; R99-E104 CarbonylContact C-O 3.58Å; R99-E104 VanDerWaalsContact CA-O 3.3Å; R99-E104 WeakPolarHBondContact CA-O 3.24Å; R99-R106 PolarHBondContact O-NE 3.24Å; R99-D189 WeakPolarHBondContact CD-OD1 3.44Å; R99-D189 IonicContact CZ-OD1 3.18Å; R99-D189 IonicContact CZ-OD2 2.69Å; R99-D189 IonicContact NE-OD1 2.71Å; R99-D189 PolarHBondContact NE-OD1 3.48Å; R99-D189 IonicContact NE-OD2 3.82Å; R99-D189 PolarHBondContact NE-OD2 2.87Å; R99-D189 IonicContact NH2-OD1 3.05Å; R99-D189 IonicContact NH2-OD2 3.83Å; R99-D189 PolarHBondContact NH2-OD2 2.92Å
100	Y	94.4	Very high	95.1	Very high	83 Å²	83	49.3 Å²	49.3	33%	0.325	25%	0.252	S	S	.	.			trans	-70.1	161.7	162.7	-74	-69.7	0	0	0	109.9	S102 G103 E104 R106	Y100-S102 WeakPolarHBondContact CB-OG 3.33Å; Y100-S102 PolarHBondContact O-N 2.86Å; Y100-G103 PolarHBondContact O-N 3.15Å; Y100-E104 HydrophobicContact CD2-CB 4.4Å; Y100-E104 PolarHBondContact N-O 2.89Å; Y100-R106 HydrophobicContact CD1-CG 4.03Å; Y100-R106 HydrophobicContact CD2-CG 3.87Å; Y100-R106 HydrophobicContact CE1-CG 4Å; Y100-R106 HydrophobicContact CE2-CB 4.21Å; Y100-R106 HydrophobicContact CE2-CG 3.87Å; Y100-R106 HydrophobicContact CG-CG 3.96Å
101	P	92	Very high	95	Very high	130 Å²	130	47.9 Å²	47.9	84%	0.844	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-20	172.1	-25	35.2	0	0	0	114.1	G103	P101-G103 VanDerWaalsContact C-N 3.26Å; P101-G103 PolarHBondContact O-N 2.69Å
102	S	92.7	Very high	95	Very high	101 Å²	101	48.8 Å²	48.8	71%	0.706	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-8.6	173.1	56.3	0	0	0	0	114.4	Y100	Y100-S102 WeakPolarHBondContact CB-OG 3.33Å; Y100-S102 PolarHBondContact O-N 2.86Å
103	G	91.6	Very high	95	Very high	38 Å²	38	43 Å²	43	39%	0.392	24%	0.236	S	C	.	.	S	Bend	trans	90.5	-10	-174.4	0	0	0	0	0	114.8	R99 Y100 P101	R99-G103 WeakPolarHBondContact CD-O 3.38Å; R99-G103 PolarHBondContact NH1-O 3.08Å; Y100-G103 PolarHBondContact O-N 3.15Å; P101-G103 VanDerWaalsContact C-N 3.26Å; P101-G103 PolarHBondContact O-N 2.69Å
104	E	92.6	Very high	95	Very high	69 Å²	69	45.5 Å²	45.5	32%	0.322	25%	0.247	S	C	.	.			trans	-73.1	142.5	178.2	-176.1	60.2	-164.6	0	0	111.4	R99 Y100 R135	R99-E104 CarbonylContact C-O 3.58Å; R99-E104 VanDerWaalsContact CA-O 3.3Å; R99-E104 WeakPolarHBondContact CA-O 3.24Å; Y100-E104 HydrophobicContact CD2-CB 4.4Å; Y100-E104 PolarHBondContact N-O 2.89Å; E104-R135 IonicContact OE1-CZ 2.68Å; E104-R135 IonicContact OE1-NE 3.81Å; E104-R135 PolarHBondContact OE1-NE 3.41Å; E104-R135 IonicContact OE1-NH2 2.75Å; E104-R135 PolarHBondContact OE1-NH2 3.25Å
105	E	93.9	Very high	95	Very high	15 Å²	15	49.5 Å²	49.5	7%	0.07	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-65.4	138.9	176.6	64.1	-178.4	-170.9	0	0	112.1	C107 R135 K181	E105-C107 VanDerWaalsContact C-N 3.29Å; E105-C107 PolarHBondContact O-N 3.2Å; E105-R135 PolarHBondContact O-NH1 2.94Å; E105-R135 VanDerWaalsContact OE1-CD 3.31Å; E105-R135 WeakPolarHBondContact OE1-CD 3.4Å; E105-K181 VanDerWaalsContact CD-NZ 3.26Å; E105-K181 IonicContact OE1-NZ 2.81Å; E105-K181 PolarHBondContact OE1-NZ 2.93Å; E105-K181 WeakPolarHBondContact OE2-CE 3.21Å; E105-K181 IonicContact OE2-NZ 2.88Å; E105-K181 PolarHBondContact OE2-NZ 3.19Å
106	R	95	Very high	95	Very high	43 Å²	43	53.2 Å²	53.2	16%	0.162	30%	0.299	C	S	.	.			trans	-71.2	-26.7	179.7	-74.3	175.6	179.1	-92.1	-1.5	113	R98 R99 Y100 I108 V158 D159 A160	R98-R106 PolarHBondContact O-N 3.01Å; R98-R106 VanDerWaalsContact O-N 3.08Å; R99-R106 PolarHBondContact O-NE 3.24Å; Y100-R106 HydrophobicContact CD1-CG 4.03Å; Y100-R106 HydrophobicContact CD2-CG 3.87Å; Y100-R106 HydrophobicContact CE1-CG 4Å; Y100-R106 HydrophobicContact CE2-CB 4.21Å; Y100-R106 HydrophobicContact CE2-CG 3.87Å; Y100-R106 HydrophobicContact CG-CG 3.96Å; R106-I108 PolarHBondContact O-N 3.3Å; R106-V158 VanDerWaalsContact O-CG2 3.3Å; R106-V158 WeakPolarHBondContact O-CG2 3.39Å; R106-D159 WeakPolarHBondContact CD-O 3.46Å; R106-A160 HydrophobicContact CB-CB 3.65Å
107	C	96.1	Very high	95	Very high	12 Å²	12	54 Å²	54	8%	0.081	31%	0.305	C	S	.	.			trans	-64.3	122.1	-173.2	-172.9	0	0	0	0	112	E105 R135 A160	E105-C107 VanDerWaalsContact C-N 3.29Å; E105-C107 PolarHBondContact O-N 3.2Å; C107-R135 PolarHBondContact O-NH1 2.72Å; C107-A160 HydrophobicContact CB-CB 3.94Å
108	I	94.7	Very high	95	Very high	68 Å²	68	57.4 Å²	57.4	35%	0.349	33%	0.327	S	S	.	.			trans	-102.4	13	176.8	59.4	167.8	0	0	0	113.2	R106 C110 P157 V158	R106-I108 PolarHBondContact O-N 3.3Å; I108-C110 VanDerWaalsContact C-N 3.32Å; I108-C110 HydrophobicContact CD1-CB 4.32Å; I108-C110 HydrophobicContact CG1-CB 4.17Å; I108-C110 PolarHBondContact O-N 3.2Å; I108-P157 HydrophobicContact CD1-CG 4.49Å; I108-V158 HydrophobicContact CD1-CG1 3.99Å; I108-V158 HydrophobicContact CG1-CG1 4.3Å; I108-V158 HydrophobicContact CG1-CG2 4.25Å; I108-V158 HydrophobicContact CG2-CG1 4.4Å
109	A	95	Very high	95.1	Very high	3 Å²	3	58 Å²	58	3%	0.025	34%	0.336	C	S	.	.			trans	53.9	41.9	-178.8	0	0	0	0	0	114.1	K111 A126 T136	A109-K111 VanDerWaalsContact C-N 3.29Å; A109-K111 PolarHBondContact O-N 2.88Å; A109-A126 HydrophobicContact CB-CB 3.59Å; A109-T136 HydrophobicContact CB-CG2 3.45Å; A109-T136 VanDerWaalsContact CB-CG2 3.45Å
110	C	95.4	Very high	95.1	Very high	50 Å²	50	62.1 Å²	62.1	34%	0.338	36%	0.359	S	S	.	.			trans	-74.5	-14.5	180	62.3	0	0	0	0	114.3	I108 L112	I108-C110 VanDerWaalsContact C-N 3.32Å; I108-C110 HydrophobicContact CD1-CB 4.32Å; I108-C110 HydrophobicContact CG1-CB 4.17Å; I108-C110 PolarHBondContact O-N 3.2Å; C110-L112 HydrophobicContact CB-CD1 4.38Å; C110-L112 HydrophobicContact CB-CG 4.33Å; C110-L112 PolarHBondContact O-N 3.42Å; C110-L112 VanDerWaalsContact O-N 3.11Å
111	K	94.3	Very high	95.3	Very high	86 Å²	86	58.4 Å²	58.4	37%	0.374	35%	0.345	S	S	.	.			trans	58.5	14.3	-178.9	-54.6	-167	176.7	-153.8	0	116.4	A109 E114 A115 I124	A109-K111 VanDerWaalsContact C-N 3.29Å; A109-K111 PolarHBondContact O-N 2.88Å; K111-E114 WeakPolarHBondContact CD-OE2 3.49Å; K111-E114 PolarHBondContact O-N 3.44Å; K111-A115 PolarHBondContact O-N 2.74Å; K111-I124 VanDerWaalsContact CE-O 3.25Å; K111-I124 WeakPolarHBondContact CE-O 3.46Å; K111-I124 HydrophobicContact CG-CB 4.23Å; K111-I124 HydrophobicContact CG-CG2 4.11Å; K111-I124 PolarHBondContact NZ-O 3.23Å
112	L	95.3	Very high	95.5	Very high	87 Å²	87	52.6 Å²	52.6	46%	0.455	31%	0.307	S	S	.	.	H	α-helix	trans	-67	-38.6	175.7	-68.3	171.6	0	0	0	112.5	C110 E114 A115 I116 P157	C110-L112 HydrophobicContact CB-CD1 4.38Å; C110-L112 HydrophobicContact CB-CG 4.33Å; C110-L112 PolarHBondContact O-N 3.42Å; C110-L112 VanDerWaalsContact O-N 3.11Å; L112-E114 VanDerWaalsContact C-N 3.32Å; L112-E114 PolarHBondContact O-N 2.98Å; L112-A115 PolarHBondContact O-N 3.2Å; L112-I116 PolarHBondContact O-N 2.77Å; L112-P157 HydrophobicContact CD1-CG 4.2Å
113	C	96.5	Very high	95.7	Very high	7 Å²	7	50.3 Å²	50.3	5%	0.047	29%	0.289	C	S	.	.	H	α-helix	trans	-65.1	-34.5	176.7	44.7	0	0	0	0	112.8	C117 I122 I124 Y139 C152 I161	C113-C117 WeakPolarHBondContact O-CB 3.36Å; C113-C117 PolarHBondContact O-N 3.29Å; C113-I122 HydrophobicContact CB-CD1 4.16Å; C113-I124 VanDerWaalsContact SG-CD1 3.52Å; C113-Y139 PolarHBondContact SG-OH 2.76Å; C113-C152 HydrophobicContact CB-CB 4.06Å; C113-I161 HydrophobicContact CB-CG2 4.35Å
114	E	96	Very high	95.9	Very high	56 Å²	56	48.6 Å²	48.6	26%	0.262	27%	0.271	S	S	.	.	H	α-helix	trans	-66.9	-43.9	173.3	175.2	174.7	-149.9	0	0	111.1	K111 L112 I124	K111-E114 WeakPolarHBondContact CD-OE2 3.49Å; K111-E114 PolarHBondContact O-N 3.44Å; L112-E114 VanDerWaalsContact C-N 3.32Å; L112-E114 PolarHBondContact O-N 2.98Å; E114-I124 HydrophobicContact CB-CD1 3.89Å; E114-I124 HydrophobicContact CB-CG1 4.26Å; E114-I124 PolarHBondContact OE1-N 3.24Å
115	A	96.3	Very high	96	Very high	88 Å²	88	49.8 Å²	49.8	73%	0.727	28%	0.276	S	S	*	.	H	α-helix	trans	-67.2	-36.4	179.8	0	0	0	0	0	113.8	K111 L112	K111-A115 PolarHBondContact O-N 2.74Å; L112-A115 PolarHBondContact O-N 3.2Å
116	I	97.3	Very high	96	Very high	81 Å²	81	51 Å²	51	42%	0.415	29%	0.288	S	S	.	.	H	α-helix	trans	-84.7	-15.5	-177.2	-157.4	61.2	0	0	0	113.3	L112 P118 F151 A155	L112-I116 PolarHBondContact O-N 2.77Å; I116-P118 WeakPolarHBondContact O-CD 3.3Å; I116-P118 VanDerWaalsContact O-N 3.1Å; I116-F151 HydrophobicContact CG1-CB 4.16Å; I116-F151 HydrophobicContact CG2-CB 4.16Å; I116-A155 HydrophobicContact CB-CB 4.35Å; I116-A155 HydrophobicContact CG2-CB 3.77Å
117	C	97.7	Very high	95.8	Very high	19 Å²	19	54.8 Å²	54.8	13%	0.128	31%	0.308	C	S	.	.			trans	-63.9	112.9	-175.7	-174.9	0	0	0	0	110.2	C113 A119 Q120 A121 I122	C113-C117 WeakPolarHBondContact O-CB 3.36Å; C113-C117 PolarHBondContact O-N 3.29Å; C117-A119 PolarHBondContact O-N 3.18Å; C117-Q120 PolarHBondContact O-N 3.27Å; C117-A121 PolarHBondContact SG-N 2.95Å; C117-I122 HydrophobicContact CB-CD1 4.39Å; C117-I122 HydrophobicContact CB-CG1 4.33Å
118	P	97.6	Very high	95.5	Very high	73 Å²	73	59.2 Å²	59.2	47%	0.474	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-28.1	-173.6	25.7	-33.8	0	0	0	112.6	I116 I147 F151	I116-P118 WeakPolarHBondContact O-CD 3.3Å; I116-P118 VanDerWaalsContact O-N 3.1Å; P118-I147 HydrophobicContact CB-CD1 4.35Å; P118-I147 HydrophobicContact CG-CD1 3.54Å; P118-I147 HydrophobicContact CG-CG1 4.05Å; P118-F151 HydrophobicContact CG-CD2 4.32Å
119	A	97.2	Very high	95.1	Very high	34 Å²	34	62.7 Å²	62.7	28%	0.281	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	1	177.2	0	0	0	0	0	113.6	C117 A121 K145 I147	C117-A119 PolarHBondContact O-N 3.18Å; A119-A121 PolarHBondContact O-N 3.08Å; A119-K145 WeakPolarHBondContact CB-O 3.27Å; A119-I147 HydrophobicContact CB-CG2 4.23Å
120	Q	96.1	Very high	94.8	Very high	162 Å²	162	67.9 Å²	67.9	76%	0.757	39%	0.388	S	S	*	.			trans	49.1	42	-176.5	-60.9	-178.4	-24	0	0	112.9	C117 I122	C117-Q120 PolarHBondContact O-N 3.27Å; Q120-I122 VanDerWaalsContact C-N 3.32Å
121	A	97.4	Very high	94.4	Very high	4 Å²	4	70.5 Å²	70.5	3%	0.033	40%	0.399	C	S	.	.			trans	-77.8	-17.7	-178	0	0	0	0	0	113.4	C117 A119 I141 D142 K145 C146	C117-A121 PolarHBondContact SG-N 2.95Å; A119-A121 PolarHBondContact O-N 3.08Å; A121-I141 WeakPolarHBondContact O-CA 3.21Å; A121-D142 PolarHBondContact O-N 3.25Å; A121-K145 HydrophobicContact CB-CB 3.71Å; A121-C146 HydrophobicContact CB-CB 4.45Å
122	I	97.1	Very high	94.1	Very high	8 Å²	8	69.2 Å²	69.2	4%	0.041	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	133.2	-173.2	-50	-176.9	0	0	0	109.2	C113 C117 Q120 I124 Y139 D140 I141 C152	C113-I122 HydrophobicContact CB-CD1 4.16Å; C117-I122 HydrophobicContact CB-CD1 4.39Å; C117-I122 HydrophobicContact CB-CG1 4.33Å; Q120-I122 VanDerWaalsContact C-N 3.32Å; I122-I124 HydrophobicContact CG2-CD1 3.93Å; I122-I124 HydrophobicContact CG2-CG1 3.76Å; I122-Y139 HydrophobicContact CG2-CE1 4.11Å; I122-Y139 HydrophobicContact CG2-CE2 4.49Å; I122-D140 CarbonylContact C-O 3.48Å; I122-D140 WeakPolarHBondContact CA-O 3.07Å; I122-I141 HydrophobicContact CG1-CG1 4.21Å; I122-I141 HydrophobicContact CG2-CG1 4.46Å; I122-C152 HydrophobicContact CD1-CB 4.05Å
123	T	96.6	Very high	93.7	Very high	53 Å²	53	66.5 Å²	66.5	33%	0.325	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	127	170.5	-48.4	0	0	0	0	110.5	D140	T123-D140 PolarHBondContact N-O 3.48Å; T123-D140 PolarHBondContact O-N 3.36Å
124	I	96.1	Very high	93.4	Very high	3 Å²	3	74.3 Å²	74.3	2%	0.015	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	128.6	-174.2	-53.3	175.2	0	0	0	111.3	K111 C113 E114 I122 T136 R138 Y139	K111-I124 VanDerWaalsContact CE-O 3.25Å; K111-I124 WeakPolarHBondContact CE-O 3.46Å; K111-I124 HydrophobicContact CG-CB 4.23Å; K111-I124 HydrophobicContact CG-CG2 4.11Å; K111-I124 PolarHBondContact NZ-O 3.23Å; C113-I124 VanDerWaalsContact SG-CD1 3.52Å; E114-I124 HydrophobicContact CB-CD1 3.89Å; E114-I124 HydrophobicContact CB-CG1 4.26Å; E114-I124 PolarHBondContact OE1-N 3.24Å; I122-I124 HydrophobicContact CG2-CD1 3.93Å; I122-I124 HydrophobicContact CG2-CG1 3.76Å; I124-T136 HydrophobicContact CG2-CG2 3.57Å; I124-R138 WeakPolarHBondContact CA-O 3.35Å; I124-Y139 HydrophobicContact CD1-CD2 3.77Å; I124-Y139 HydrophobicContact CD1-CE2 3.33Å; I124-Y139 HydrophobicContact CG1-CD2 3.68Å; I124-Y139 HydrophobicContact CG1-CE2 3.75Å; I124-Y139 HydrophobicContact CG1-CG 4.43Å; I124-Y139 HydrophobicContact CG2-CD2 4.23Å
125	E	94.7	Very high	93.2	Very high	94 Å²	94	73.2 Å²	73.2	44%	0.439	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	141.4	167.6	-63.8	171.6	-166.4	0	0	109.6	T136 T137 R138	E125-T136 CarbonylContact O-C 3.56Å; E125-T136 VanDerWaalsContact O-CA 3.24Å; E125-T136 WeakPolarHBondContact O-CA 3.3Å; E125-T137 WeakPolarHBondContact CB-OG1 3.45Å; E125-T137 PolarHBondContact O-N 2.85Å; E125-T137 PolarHBondContact O-OG1 2.9Å; E125-R138 HydrophobicContact CB-CB 3.89Å; E125-R138 HydrophobicContact CG-CB 4.21Å; E125-R138 PolarHBondContact N-O 3.43Å; E125-R138 IonicContact OE1-NH1 3.97Å
126	A	92.9	Very high	92.9	Very high	39 Å²	39	69.3 Å²	69.3	32%	0.322	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	126.9	-169.8	0	0	0	0	0	109.9	A109 R135	A109-A126 HydrophobicContact CB-CB 3.59Å; A126-R135 WeakPolarHBondContact CA-O 3.16Å
127	E	91.2	Very high	92.7	Very high	123 Å²	123	68.6 Å²	68.6	58%	0.575	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.7	149.5	175	-63.8	-175.2	171.6	0	0	109.6	R129 R135 T137	E127-R129 PolarHBondContact O-N 3.41Å; E127-R135 PolarHBondContact N-O 3.42Å; E127-R135 VanDerWaalsContact N-O 3.15Å; E127-R135 PolarHBondContact O-N 3.23Å; E127-R135 VanDerWaalsContact O-O 3.11Å; E127-T137 HydrophobicContact CB-CG2 3.71Å; E127-T137 HydrophobicContact CG-CG2 3.7Å
128	P	90.4	Very high	92.5	Very high	106 Å²	106	71.8 Å²	71.8	69%	0.688	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68	127.6	171.1	28.5	-32.2	0	0	0	109.7
129	R	86.1	Confident	92.5	Very high	141 Å²	141	68.4 Å²	68.4	53%	0.532	37%	0.374	S	S	.	.			trans	-69.2	165.7	171.9	-157.3	178.1	165.4	118.9	4.3	110.2	E127 D131 G132 S133	E127-R129 PolarHBondContact O-N 3.41Å; R129-D131 WeakPolarHBondContact CD-OD1 3.32Å; R129-D131 WeakPolarHBondContact CD-OD2 3.41Å; R129-D131 WeakPolarHBondContact CG-OD1 2.99Å; R129-D131 IonicContact NE-OD1 2.75Å; R129-D131 PolarHBondContact NE-OD1 3.43Å; R129-D131 PolarHBondContact O-N 3.4Å; R129-D131 VanDerWaalsContact O-N 3.11Å; R129-G132 WeakPolarHBondContact O-CA 3.44Å; R129-G132 PolarHBondContact O-N 3.11Å; R129-S133 PolarHBondContact N-O 2.94Å
130	A	88.7	Confident	92.5	Very high	112 Å²	112	68 Å²	68	93%	0.926	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-29.9	177.4	0	0	0	0	0	113.6	G132	A130-G132 VanDerWaalsContact C-N 3.28Å; A130-G132 PolarHBondContact O-N 3.28Å
131	D	87.5	Confident	92.5	Very high	104 Å²	104	60.4 Å²	60.4	56%	0.556	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	2.3	176	36.6	-66.8	0	0	0	114	R129 S133	R129-D131 WeakPolarHBondContact CD-OD1 3.32Å; R129-D131 WeakPolarHBondContact CD-OD2 3.41Å; R129-D131 WeakPolarHBondContact CG-OD1 2.99Å; R129-D131 IonicContact NE-OD1 2.75Å; R129-D131 PolarHBondContact NE-OD1 3.43Å; R129-D131 PolarHBondContact O-N 3.4Å; R129-D131 VanDerWaalsContact O-N 3.11Å; D131-S133 PolarHBondContact O-N 2.92Å; D131-S133 WeakPolarHBondContact OD2-CB 3.48Å; D131-S133 PolarHBondContact OD2-OG 3.06Å
132	G	87.3	Confident	92.5	Very high	59 Å²	59	61 Å²	61	61%	0.608	34%	0.335	S	S	*	.	S	Bend	trans	78.9	-2.1	179.6	0	0	0	0	0	114.4	R129 A130	R129-G132 WeakPolarHBondContact O-CA 3.44Å; R129-G132 PolarHBondContact O-N 3.11Å; A130-G132 VanDerWaalsContact C-N 3.28Å; A130-G132 PolarHBondContact O-N 3.28Å
133	S	87.8	Confident	92.5	Very high	30 Å²	30	61 Å²	61	21%	0.21	33%	0.334	C	S	.	.			trans	-71	140.9	175.6	67.9	0	0	0	0	111.2	R129 D131 R135	R129-S133 PolarHBondContact N-O 2.94Å; D131-S133 PolarHBondContact O-N 2.92Å; D131-S133 WeakPolarHBondContact OD2-CB 3.48Å; D131-S133 PolarHBondContact OD2-OG 3.06Å; S133-R135 PolarHBondContact O-N 3.11Å
134	R	89.2	Confident	92.5	Very high	171 Å²	171	61.7 Å²	61.7	65%	0.645	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.3	112.2	175.6	-67.9	177	66.1	102.7	0.7	109.2
135	R	91.1	Very high	92.5	Very high	33 Å²	33	66.9 Å²	66.9	13%	0.125	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	162.5	-179.3	-63.7	-58.4	-175.1	-150.9	-0.3	111.5	E104 E105 C107 A126 E127 S133	E104-R135 IonicContact OE1-CZ 2.68Å; E104-R135 IonicContact OE1-NE 3.81Å; E104-R135 PolarHBondContact OE1-NE 3.41Å; E104-R135 IonicContact OE1-NH2 2.75Å; E104-R135 PolarHBondContact OE1-NH2 3.25Å; E105-R135 PolarHBondContact O-NH1 2.94Å; E105-R135 VanDerWaalsContact OE1-CD 3.31Å; E105-R135 WeakPolarHBondContact OE1-CD 3.4Å; C107-R135 PolarHBondContact O-NH1 2.72Å; A126-R135 WeakPolarHBondContact CA-O 3.16Å; E127-R135 PolarHBondContact N-O 3.42Å; E127-R135 VanDerWaalsContact N-O 3.15Å; E127-R135 PolarHBondContact O-N 3.23Å; E127-R135 VanDerWaalsContact O-O 3.11Å; S133-R135 PolarHBondContact O-N 3.11Å
136	T	91.6	Very high	92.7	Very high	7 Å²	7	63.2 Å²	63.2	4%	0.043	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	129	178	54.2	0	0	0	0	110.1	A109 I124 E125 Y139 K181	A109-T136 HydrophobicContact CB-CG2 3.45Å; A109-T136 VanDerWaalsContact CB-CG2 3.45Å; I124-T136 HydrophobicContact CG2-CG2 3.57Å; E125-T136 CarbonylContact O-C 3.56Å; E125-T136 VanDerWaalsContact O-CA 3.24Å; E125-T136 WeakPolarHBondContact O-CA 3.3Å; T136-Y139 HydrophobicContact CG2-CD2 4.11Å; T136-K181 PolarHBondContact O-NZ 2.89Å; T136-K181 WeakPolarHBondContact OG1-CE 3.46Å; T136-K181 PolarHBondContact OG1-NZ 3.36Å
137	T	91.9	Very high	92.9	Very high	65 Å²	65	66.4 Å²	66.4	40%	0.399	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	-40.2	168	47	0	0	0	0	109.9	E125 E127	E125-T137 WeakPolarHBondContact CB-OG1 3.45Å; E125-T137 PolarHBondContact O-N 2.85Å; E125-T137 PolarHBondContact O-OG1 2.9Å; E127-T137 HydrophobicContact CB-CG2 3.71Å; E127-T137 HydrophobicContact CG-CG2 3.7Å
138	R	94.7	Very high	93.1	Very high	87 Å²	87	63.6 Å²	63.6	33%	0.328	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	131.3	176.4	-167.7	173.8	175.5	-112.6	-17.2	109.9	I124 E125 D140	I124-R138 WeakPolarHBondContact CA-O 3.35Å; E125-R138 HydrophobicContact CB-CB 3.89Å; E125-R138 HydrophobicContact CG-CB 4.21Å; E125-R138 PolarHBondContact N-O 3.43Å; E125-R138 IonicContact OE1-NH1 3.97Å; R138-D140 IonicContact CZ-OD2 2.96Å; R138-D140 IonicContact NE-OD2 3.53Å; R138-D140 PolarHBondContact NE-OD2 2.97Å; R138-D140 IonicContact NH2-OD2 3.75Å; R138-D140 PolarHBondContact NH2-OD2 3.45Å
139	Y	96.7	Very high	93.5	Very high	2 Å²	2	60 Å²	60	1%	0.008	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	91	173.1	-167.1	-72.6	0	0	0	106.8	L97 C113 I122 I124 T136 I141 I161 N180 K181 L184	L97-Y139 HydrophobicContact CD1-CD1 3.99Å; L97-Y139 HydrophobicContact CD1-CE1 4.49Å; L97-Y139 HydrophobicContact CD1-CG 4.21Å; L97-Y139 HydrophobicContact CD2-CE1 4.31Å; C113-Y139 PolarHBondContact SG-OH 2.76Å; I122-Y139 HydrophobicContact CG2-CE1 4.11Å; I122-Y139 HydrophobicContact CG2-CE2 4.49Å; I124-Y139 HydrophobicContact CD1-CD2 3.77Å; I124-Y139 HydrophobicContact CD1-CE2 3.33Å; I124-Y139 HydrophobicContact CG1-CD2 3.68Å; I124-Y139 HydrophobicContact CG1-CE2 3.75Å; I124-Y139 HydrophobicContact CG1-CG 4.43Å; I124-Y139 HydrophobicContact CG2-CD2 4.23Å; T136-Y139 HydrophobicContact CG2-CD2 4.11Å; Y139-I141 HydrophobicContact CD1-CG1 4.41Å; Y139-I141 HydrophobicContact CE1-CD1 3.97Å; Y139-I141 HydrophobicContact CE1-CG1 4Å; Y139-I161 HydrophobicContact CE1-CD1 3.78Å; Y139-I161 WeakPolarHBondContact OH-CD1 3.5Å; Y139-N180 CarbonylContact O-C 3.52Å; Y139-K181 VanDerWaalsContact O-CA 3.27Å; Y139-K181 WeakPolarHBondContact O-CA 3.37Å; Y139-K181 PolarHBondContact O-N 3.24Å; Y139-L184 HydrophobicContact CD1-CD1 3.64Å; Y139-L184 HydrophobicContact CE1-CD1 4.02Å
140	D	96.9	Very high	93.9	Very high	24 Å²	24	53.5 Å²	53.5	13%	0.128	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	140.4	-172.5	-61.1	-1.6	0	0	0	109.5	I122 T123 R138 Y179	I122-D140 CarbonylContact C-O 3.48Å; I122-D140 WeakPolarHBondContact CA-O 3.07Å; T123-D140 PolarHBondContact N-O 3.48Å; T123-D140 PolarHBondContact O-N 3.36Å; R138-D140 IonicContact CZ-OD2 2.96Å; R138-D140 IonicContact NE-OD2 3.53Å; R138-D140 PolarHBondContact NE-OD2 2.97Å; R138-D140 IonicContact NH2-OD2 3.75Å; R138-D140 PolarHBondContact NH2-OD2 3.45Å; D140-Y179 CarbonylContact C-O 3.51Å; D140-Y179 WeakPolarHBondContact CA-O 3.48Å
141	I	97.4	Very high	94.2	Very high	3 Å²	3	52.6 Å²	52.6	2%	0.015	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	122.5	175.3	-55.5	179.6	0	0	0	108.5	H95 A121 I122 Y139 M143 I161 Y179 L184	H95-I141 HydrophobicContact CB-CD1 3.93Å; A121-I141 WeakPolarHBondContact O-CA 3.21Å; I122-I141 HydrophobicContact CG1-CG1 4.21Å; I122-I141 HydrophobicContact CG2-CG1 4.46Å; Y139-I141 HydrophobicContact CD1-CG1 4.41Å; Y139-I141 HydrophobicContact CE1-CD1 3.97Å; Y139-I141 HydrophobicContact CE1-CG1 4Å; I141-M143 HydrophobicContact CG2-SD 3.85Å; I141-M143 PolarHBondContact O-N 2.84Å; I141-I161 HydrophobicContact CD1-CD1 3.49Å; I141-I161 VanDerWaalsContact CD1-CD1 3.49Å; I141-Y179 PolarHBondContact N-O 2.89Å; I141-Y179 PolarHBondContact O-N 3.02Å; I141-L184 HydrophobicContact CB-CD1 4.5Å; I141-L184 HydrophobicContact CD1-CD1 3.72Å; I141-L184 HydrophobicContact CD1-CD2 3.92Å; I141-L184 HydrophobicContact CD1-CG 4.5Å; I141-L184 HydrophobicContact CG1-CD1 3.81Å
142	D	97.1	Very high	94.7	Very high	18 Å²	18	48 Å²	48	10%	0.096	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	102.1	170.1	-172.3	-16.5	0	0	0	109.8	A121 T144 K145 C146 L178	A121-D142 PolarHBondContact O-N 3.25Å; D142-T144 PolarHBondContact O-N 3.01Å; D142-T144 VanDerWaalsContact O-N 3.16Å; D142-T144 WeakPolarHBondContact OD1-CB 3.45Å; D142-T144 PolarHBondContact OD1-N 3.37Å; D142-T144 PolarHBondContact OD1-OG1 3.32Å; D142-K145 HydrophobicContact CB-CB 4.27Å; D142-K145 HydrophobicContact CB-CD 4.17Å; D142-K145 HydrophobicContact CB-CG 4.29Å; D142-K145 PolarHBondContact O-N 2.92Å; D142-K145 VanDerWaalsContact O-N 3.09Å; D142-K145 WeakPolarHBondContact OD2-CD 3.3Å; D142-K145 VanDerWaalsContact OD2-CE 3.25Å; D142-K145 WeakPolarHBondContact OD2-CE 3.22Å; D142-K145 IonicContact OD2-NZ 2.86Å; D142-K145 PolarHBondContact OD2-NZ 3.19Å; D142-C146 PolarHBondContact O-N 3.03Å; D142-L178 HydrophobicContact CB-CD2 4.04Å; D142-L178 VanDerWaalsContact CG-CD2 3.41Å; D142-L178 WeakPolarHBondContact OD1-CD2 3.43Å
143	M	96.6	Very high	95.1	Very high	7 Å²	7	46.5 Å²	46.5	3%	0.034	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-14.1	-178.7	-58.8	-63.1	-83.9	0	0	112.4	E94 I141 Y148 Y169 L177 Y179	E94-M143 HydrophobicContact CG-CE 4.4Å; I141-M143 HydrophobicContact CG2-SD 3.85Å; I141-M143 PolarHBondContact O-N 2.84Å; M143-Y148 HydrophobicContact CE-CE1 3.73Å; M143-Y148 VanDerWaalsContact CE-OH 3.32Å; M143-Y148 WeakPolarHBondContact CE-OH 3.44Å; M143-Y148 PolarHBondContact O-OH 3.47Å; M143-Y169 HydrophobicContact CE-CE2 3.83Å; M143-L177 HydrophobicContact CB-CB 4.21Å; M143-L177 HydrophobicContact CB-CD2 4.41Å; M143-L177 VanDerWaalsContact CB-O 3.26Å; M143-L177 WeakPolarHBondContact CB-O 3.4Å; M143-L177 WeakPolarHBondContact CG-O 3.17Å; M143-L177 PolarHBondContact N-O 3.07Å; M143-Y179 HydrophobicContact CE-CD2 4.33Å; M143-Y179 HydrophobicContact CE-CE2 3.96Å; M143-Y179 HydrophobicContact CG-CD1 4.04Å; M143-Y179 HydrophobicContact CG-CD2 3.76Å; M143-Y179 HydrophobicContact CG-CE1 4.16Å; M143-Y179 HydrophobicContact CG-CE2 3.92Å; M143-Y179 HydrophobicContact CG-CG 3.85Å; M143-Y179 HydrophobicContact SD-CD2 3.94Å; M143-Y179 HydrophobicContact SD-CE2 4.17Å
144	T	96	Very high	95.4	Very high	67 Å²	67	51.8 Å²	51.8	41%	0.411	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-23.2	175.1	76.9	0	0	0	0	112.9	D142 H174 L177	D142-T144 PolarHBondContact O-N 3.01Å; D142-T144 VanDerWaalsContact O-N 3.16Å; D142-T144 WeakPolarHBondContact OD1-CB 3.45Å; D142-T144 PolarHBondContact OD1-N 3.37Å; D142-T144 PolarHBondContact OD1-OG1 3.32Å; T144-H174 WeakPolarHBondContact CG2-NE2 3.44Å; T144-L177 HydrophobicContact CG2-CB 3.84Å; T144-L177 HydrophobicContact CG2-CD1 3.86Å
145	K	97.2	Very high	95.7	Very high	112 Å²	112	45.2 Å²	45.2	49%	0.487	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-27.3	172.1	-68.2	178.4	-171.9	124.3	0	112.4	A119 A121 D142 I147	A119-K145 WeakPolarHBondContact CB-O 3.27Å; A121-K145 HydrophobicContact CB-CB 3.71Å; D142-K145 HydrophobicContact CB-CB 4.27Å; D142-K145 HydrophobicContact CB-CD 4.17Å; D142-K145 HydrophobicContact CB-CG 4.29Å; D142-K145 PolarHBondContact O-N 2.92Å; D142-K145 VanDerWaalsContact O-N 3.09Å; D142-K145 WeakPolarHBondContact OD2-CD 3.3Å; D142-K145 VanDerWaalsContact OD2-CE 3.25Å; D142-K145 WeakPolarHBondContact OD2-CE 3.22Å; D142-K145 IonicContact OD2-NZ 2.86Å; D142-K145 PolarHBondContact OD2-NZ 3.19Å; K145-I147 PolarHBondContact O-N 3.19Å
146	C	97.5	Very high	96	Very high	18 Å²	18	44.2 Å²	44.2	12%	0.122	22%	0.224	C	C	.	.			trans	-59.4	129.9	-178.5	-171.8	0	0	0	0	111.5	H95 A121 D142 Y148	H95-C146 PolarHBondContact CE1-SG 3.39Å; A121-C146 HydrophobicContact CB-CB 4.45Å; D142-C146 PolarHBondContact O-N 3.03Å; C146-Y148 HydrophobicContact CB-CE2 4.39Å; C146-Y148 WeakPolarHBondContact O-CE2 3.34Å; C146-Y148 PolarHBondContact SG-N 3.02Å; C146-Y148 VanDerWaalsContact SG-N 3.43Å
147	I	97.2	Very high	96.2	Very high	105 Å²	105	47.7 Å²	47.7	54%	0.538	25%	0.247	S	C	.	.			trans	-100.4	7.8	177.4	66.2	165.3	0	0	0	113.2	P118 A119 K145 C149	P118-I147 HydrophobicContact CB-CD1 4.35Å; P118-I147 HydrophobicContact CG-CD1 3.54Å; P118-I147 HydrophobicContact CG-CG1 4.05Å; A119-I147 HydrophobicContact CB-CG2 4.23Å; K145-I147 PolarHBondContact O-N 3.19Å; I147-C149 VanDerWaalsContact C-N 3.3Å; I147-C149 HydrophobicContact CD1-CB 4.12Å; I147-C149 HydrophobicContact CG1-CB 4Å; I147-C149 PolarHBondContact O-N 2.9Å
148	Y	97.2	Very high	96.3	Very high	65 Å²	65	45.8 Å²	45.8	26%	0.255	24%	0.236	S	C	.	.			trans	51.5	45.5	178.5	-55.3	-85.2	0	0	0	113.8	R92 G93 H95 M143 C146 Y169	R92-Y148 PolarHBondContact NE-O 3.18Å; G93-Y148 WeakPolarHBondContact O-CD1 3.3Å; H95-Y148 AromaticContact CE1-CD1 3.91Å; M143-Y148 HydrophobicContact CE-CE1 3.73Å; M143-Y148 VanDerWaalsContact CE-OH 3.32Å; M143-Y148 WeakPolarHBondContact CE-OH 3.44Å; M143-Y148 PolarHBondContact O-OH 3.47Å; C146-Y148 HydrophobicContact CB-CE2 4.39Å; C146-Y148 WeakPolarHBondContact O-CE2 3.34Å; C146-Y148 PolarHBondContact SG-N 3.02Å; C146-Y148 VanDerWaalsContact SG-N 3.43Å; Y148-Y169 WeakPolarHBondContact CE1-OH 3.36Å; Y148-Y169 PolarHBondContact OH-OH 3.35Å
149	C	97	Very high	96.3	Very high	30 Å²	30	44.9 Å²	44.9	20%	0.203	24%	0.237	C	C	.	.			trans	-83.2	-20.2	-178.4	61.5	0	0	0	0	113.9	I147 F151	I147-C149 VanDerWaalsContact C-N 3.3Å; I147-C149 HydrophobicContact CD1-CB 4.12Å; I147-C149 HydrophobicContact CG1-CB 4Å; I147-C149 PolarHBondContact O-N 2.9Å; C149-F151 VanDerWaalsContact C-N 3.29Å; C149-F151 HydrophobicContact CB-CD1 4.48Å; C149-F151 HydrophobicContact CB-CD2 4.38Å; C149-F151 HydrophobicContact CB-CG 4.36Å; C149-F151 PolarHBondContact O-N 3.01Å
150	G	94.4	Very high	96.2	Very high	4 Å²	4	45 Å²	45	4%	0.041	24%	0.238	C	C	.	.			trans	77.8	0.7	-176.3	0	0	0	0	0	116.5	C152 Q153 E154 E163	G150-C152 PolarHBondContact O-N 2.76Å; G150-Q153 WeakPolarHBondContact O-CB 3.47Å; G150-Q153 PolarHBondContact O-N 2.7Å; G150-Q153 VanDerWaalsContact O-N 3.08Å; G150-E154 PolarHBondContact O-N 2.96Å; G150-E163 WeakPolarHBondContact CA-OE1 3.03Å; G150-E163 WeakPolarHBondContact CA-OE2 3.37Å; G150-E163 PolarHBondContact N-OE1 3.26Å; G150-E163 PolarHBondContact N-OE2 3.46Å
151	F	96.7	Very high	96.2	Very high	94 Å²	94	43.9 Å²	43.9	41%	0.412	23%	0.232	S	C	.	.	H	α-helix	trans	-63.7	-29.7	-179.5	-65.8	-14.5	0	0	0	113.3	I116 P118 C149 Q153 A155	I116-F151 HydrophobicContact CG1-CB 4.16Å; I116-F151 HydrophobicContact CG2-CB 4.16Å; P118-F151 HydrophobicContact CG-CD2 4.32Å; C149-F151 VanDerWaalsContact C-N 3.29Å; C149-F151 HydrophobicContact CB-CD1 4.48Å; C149-F151 HydrophobicContact CB-CD2 4.38Å; C149-F151 HydrophobicContact CB-CG 4.36Å; C149-F151 PolarHBondContact O-N 3.01Å; F151-Q153 VanDerWaalsContact C-N 3.31Å; F151-Q153 PolarHBondContact O-N 3.42Å; F151-A155 WeakPolarHBondContact O-CB 3.34Å; F151-A155 PolarHBondContact O-N 2.84Å
152	C	96.6	Very high	96.2	Very high	8 Å²	8	43.8 Å²	43.8	5%	0.054	23%	0.232	C	C	.	.	H	α-helix	trans	-65.5	-35.1	175.8	56.9	0	0	0	0	112.2	C113 I122 G150 C156 I161	C113-C152 HydrophobicContact CB-CB 4.06Å; I122-C152 HydrophobicContact CD1-CB 4.05Å; G150-C152 PolarHBondContact O-N 2.76Å; C152-C156 PolarHBondContact O-N 2.93Å; C152-I161 HydrophobicContact CB-CG2 4.13Å; C152-I161 WeakPolarHBondContact O-CG2 3.38Å
153	Q	95.6	Very high	96.2	Very high	26 Å²	26	43.5 Å²	43.5	12%	0.121	23%	0.23	C	C	.	.	H	α-helix	trans	-71.2	-43.6	177.7	175.9	174.1	-52.7	0	0	111.6	G150 F151 V162 R206	G150-Q153 WeakPolarHBondContact O-CB 3.47Å; G150-Q153 PolarHBondContact O-N 2.7Å; G150-Q153 VanDerWaalsContact O-N 3.08Å; F151-Q153 VanDerWaalsContact C-N 3.31Å; F151-Q153 PolarHBondContact O-N 3.42Å; Q153-V162 HydrophobicContact CG-CG1 4.47Å; Q153-R206 VanDerWaalsContact NE2-CZ 3.34Å
154	E	94.8	Very high	96.1	Very high	141 Å²	141	43.3 Å²	43.3	66%	0.659	23%	0.23	S	C	*	.	H	α-helix	trans	-73.5	-34.7	179	-65.9	176.3	-174.4	0	0	112.6	G150 C156	G150-E154 PolarHBondContact O-N 2.96Å; E154-C156 VanDerWaalsContact C-N 3.27Å; E154-C156 PolarHBondContact O-N 2.94Å
155	A	96	Very high	96	Very high	34 Å²	34	40.7 Å²	40.7	28%	0.281	21%	0.214	S	C	.	.	S	Bend	trans	-77.4	-10.6	-179.4	0	0	0	0	0	113.9	I116 F151 P157	I116-A155 HydrophobicContact CB-CB 4.35Å; I116-A155 HydrophobicContact CG2-CB 3.77Å; F151-A155 WeakPolarHBondContact O-CB 3.34Å; F151-A155 PolarHBondContact O-N 2.84Å; A155-P157 WeakPolarHBondContact O-CD 3.14Å
156	C	96.3	Very high	96	Very high	11 Å²	11	36.2 Å²	36.2	7%	0.074	20%	0.196	C	C	.	.			trans	-79.4	116.5	-175.6	-164.9	0	0	0	0	111.1	C152 E154 V158 A160 I161	C152-C156 PolarHBondContact O-N 2.93Å; E154-C156 VanDerWaalsContact C-N 3.27Å; E154-C156 PolarHBondContact O-N 2.94Å; C156-V158 PolarHBondContact O-N 3.01Å; C156-V158 VanDerWaalsContact O-N 3.11Å; C156-A160 PolarHBondContact SG-N 3.13Å; C156-I161 HydrophobicContact CB-CG2 4.25Å
157	P	95.4	Very high	95.9	Very high	80 Å²	80	39.3 Å²	39.3	52%	0.519	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-8	-177	30	-36.8	0	0	0	114.2	I108 L112 A155	I108-P157 HydrophobicContact CD1-CG 4.49Å; L112-P157 HydrophobicContact CD1-CG 4.2Å; A155-P157 WeakPolarHBondContact O-CD 3.14Å
158	V	95	Very high	95.8	Very high	26 Å²	26	38 Å²	38	16%	0.158	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.9	7.1	-172.4	-68.5	0	0	0	0	112.6	R106 I108 C156 A160	R106-V158 VanDerWaalsContact O-CG2 3.3Å; R106-V158 WeakPolarHBondContact O-CG2 3.39Å; I108-V158 HydrophobicContact CD1-CG1 3.99Å; I108-V158 HydrophobicContact CG1-CG1 4.3Å; I108-V158 HydrophobicContact CG1-CG2 4.25Å; I108-V158 HydrophobicContact CG2-CG1 4.4Å; C156-V158 PolarHBondContact O-N 3.01Å; C156-V158 VanDerWaalsContact O-N 3.11Å; V158-A160 HydrophobicContact CG2-CB 3.84Å; V158-A160 PolarHBondContact O-N 3.09Å
159	D	93.9	Very high	95.7	Very high	68 Å²	68	37 Å²	37	36%	0.364	20%	0.195	S	C	.	.			trans	50.3	42.5	-174.3	-61.5	-42.2	0	0	0	113.2	R106	R106-D159 WeakPolarHBondContact CD-O 3.46Å
160	A	96.2	Very high	95.6	Very high	3 Å²	3	41.4 Å²	41.4	3%	0.025	23%	0.226	C	C	.	.			trans	-77.9	-49.2	-177.9	0	0	0	0	0	113	L97 R98 R106 C107 C156 V158	L97-A160 WeakPolarHBondContact CA-O 3.49Å; R98-A160 PolarHBondContact N-O 3.26Å; R106-A160 HydrophobicContact CB-CB 3.65Å; C107-A160 HydrophobicContact CB-CB 3.94Å; C156-A160 PolarHBondContact SG-N 3.13Å; V158-A160 HydrophobicContact CG2-CB 3.84Å; V158-A160 PolarHBondContact O-N 3.09Å
161	I	96.7	Very high	95.7	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	133.5	175.1	-174.1	157.7	0	0	0	109.4	L97 C113 Y139 I141 C152 C156	L97-I161 HydrophobicContact CD2-CB 4.06Å; C113-I161 HydrophobicContact CB-CG2 4.35Å; Y139-I161 HydrophobicContact CE1-CD1 3.78Å; Y139-I161 WeakPolarHBondContact OH-CD1 3.5Å; I141-I161 HydrophobicContact CD1-CD1 3.49Å; I141-I161 VanDerWaalsContact CD1-CD1 3.49Å; C152-I161 HydrophobicContact CB-CG2 4.13Å; C152-I161 WeakPolarHBondContact O-CG2 3.38Å; C156-I161 HydrophobicContact CB-CG2 4.25Å
162	V	96.7	Very high	95.7	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.012	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	152.6	175.9	-59.9	0	0	0	0	109.5	H95 A96 R98 Q153 I195 L199	H95-V162 WeakPolarHBondContact CA-O 3.32Å; A96-V162 HydrophobicContact CB-CG2 4.12Å; A96-V162 PolarHBondContact N-O 3.19Å; A96-V162 PolarHBondContact O-N 3.35Å; R98-V162 HydrophobicContact CG-CG1 4.36Å; R98-V162 HydrophobicContact CG-CG2 3.82Å; Q153-V162 HydrophobicContact CG-CG1 4.47Å; V162-I195 HydrophobicContact CG2-CD1 3.88Å; V162-I195 HydrophobicContact CG2-CG1 4.37Å; V162-I195 HydrophobicContact CG2-CG2 3.78Å; V162-L199 HydrophobicContact CG1-CD1 4.31Å
163	E	96.7	Very high	95.7	Very high	11 Å²	11	50.3 Å²	50.3	5%	0.051	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	113	165.2	-69.8	177	156.5	0	0	107.7	R92 H95 G150	R92-E163 HydrophobicContact CB-CB 4.42Å; R92-E163 WeakPolarHBondContact CB-OE2 2.91Å; R92-E163 WeakPolarHBondContact CD-OE2 3.14Å; R92-E163 WeakPolarHBondContact CG-OE2 2.95Å; H95-E163 IonicContact CE1-OE1 3.48Å; H95-E163 IonicContact NE2-OE1 3.21Å; G150-E163 WeakPolarHBondContact CA-OE1 3.03Å; G150-E163 WeakPolarHBondContact CA-OE2 3.37Å; G150-E163 PolarHBondContact N-OE1 3.26Å; G150-E163 PolarHBondContact N-OE2 3.46Å
164	G	94.1	Very high	95.7	Very high	3 Å²	3	54.4 Å²	54.4	3%	0.031	29%	0.293	C	S	.	.			trans	-77	174.4	-178.9	0	0	0	0	0	113	G93 E94 N166	G93-G164 CarbonylContact C-O 3.5Å; G93-G164 WeakPolarHBondContact CA-O 3.32Å; G93-G164 PolarHBondContact N-O 2.81Å; E94-G164 WeakPolarHBondContact O-CA 3.41Å; E94-G164 PolarHBondContact O-N 3.5Å; G164-N166 VanDerWaalsContact C-N 3.29Å; G164-N166 PolarHBondContact O-N 3.39Å
165	P	95.5	Very high	95.7	Very high	12 Å²	12	55.2 Å²	55.2	8%	0.078	30%	0.297	C	S	.	.	S	Bend	trans	-76.8	-15.4	-178.2	31	-34.9	0	0	0	113.2	F167 W191 E194	P165-F167 PolarHBondContact O-N 3.29Å; P165-W191 HydrophobicContact CG-CE3 4.05Å; P165-E194 HydrophobicContact CB-CG 4.41Å; P165-E194 WeakPolarHBondContact CB-OE1 3.18Å; P165-E194 HydrophobicContact CG-CB 4.23Å; P165-E194 HydrophobicContact CG-CG 3.81Å; P165-E194 WeakPolarHBondContact CG-OE1 3.33Å; P165-E194 WeakPolarHBondContact CG-OE2 3.32Å
166	N	95.9	Very high	95.6	Very high	19 Å²	19	58.2 Å²	58.2	10%	0.102	31%	0.305	C	S	.	.			trans	-69.8	128.4	-175.1	-170.5	25.7	0	0	0	111.8	G93 E94 G164 E168 Y169 W191	G93-N166 CarbonylContact C-O 3.58Å; G93-N166 WeakPolarHBondContact CA-O 3.1Å; E94-N166 HydrophobicContact CB-CB 3.98Å; E94-N166 PolarHBondContact N-O 2.98Å; E94-N166 PolarHBondContact OE2-ND2 3.23Å; G164-N166 VanDerWaalsContact C-N 3.29Å; G164-N166 PolarHBondContact O-N 3.39Å; N166-E168 PolarHBondContact OD1-N 3.37Å; N166-Y169 WeakPolarHBondContact O-CE1 3.5Å; N166-W191 HydrophobicContact CB-CD2 4.43Å; N166-W191 HydrophobicContact CB-CH2 4.33Å; N166-W191 HydrophobicContact CB-CZ2 3.6Å
167	F	95.3	Very high	95.6	Very high	83 Å²	83	59.6 Å²	59.6	36%	0.364	31%	0.311	S	S	.	.			trans	-122	-7.8	174.5	58.4	-84.8	0	0	0	112.8	K84 L87 F91 P165 Y169	K84-F167 HydrophobicContact CD-CZ 4.33Å; L87-F167 HydrophobicContact CD1-CD1 3.97Å; L87-F167 HydrophobicContact CD1-CE1 3.55Å; L87-F167 HydrophobicContact CD1-CZ 4.48Å; F91-F167 HydrophobicContact CE1-CB 3.87Å; F91-F167 HydrophobicContact CE1-CD1 4.05Å; F91-F167 HydrophobicContact CE1-CG 4.33Å; F91-F167 HydrophobicContact CZ-CB 3.84Å; F91-F167 HydrophobicContact CZ-CD1 4.34Å; F91-F167 HydrophobicContact CZ-CG 4.31Å; P165-F167 PolarHBondContact O-N 3.29Å; F167-Y169 PolarHBondContact O-N 3.09Å
168	E	95.4	Very high	95.6	Very high	78 Å²	78	59.3 Å²	59.3	36%	0.364	31%	0.305	S	S	.	.			trans	-102.2	67.7	-174.1	-63.8	169.5	-167.5	0	0	110	Y80 K84 N166	Y80-E168 VanDerWaalsContact OH-CD 3.3Å; Y80-E168 PolarHBondContact OH-OE1 3.45Å; Y80-E168 VanDerWaalsContact OH-OE1 3.08Å; K84-E168 VanDerWaalsContact CE-OE1 3.3Å; K84-E168 WeakPolarHBondContact CE-OE1 3.45Å; K84-E168 IonicContact NZ-OE1 2.72Å; K84-E168 PolarHBondContact NZ-OE1 2.7Å; K84-E168 IonicContact NZ-OE2 2.94Å; K84-E168 PolarHBondContact NZ-OE2 3.15Å; N166-E168 PolarHBondContact OD1-N 3.37Å
169	Y	95.1	Very high	95.7	Very high	44 Å²	44	58.3 Å²	58.3	17%	0.173	30%	0.299	C	S	.	.			trans	-131.9	32.2	-179.5	60	-86.8	0	0	0	112.8	E94 M143 Y148 N166 F167 T171	E94-Y169 HydrophobicContact CB-CD1 3.76Å; E94-Y169 HydrophobicContact CB-CE1 3.6Å; E94-Y169 HydrophobicContact CB-CG 4.43Å; E94-Y169 HydrophobicContact CG-CD1 4.04Å; E94-Y169 HydrophobicContact CG-CD2 4.4Å; E94-Y169 HydrophobicContact CG-CE1 4.1Å; E94-Y169 HydrophobicContact CG-CE2 4.46Å; E94-Y169 HydrophobicContact CG-CG 4.2Å; M143-Y169 HydrophobicContact CE-CE2 3.83Å; Y148-Y169 WeakPolarHBondContact CE1-OH 3.36Å; Y148-Y169 PolarHBondContact OH-OH 3.35Å; N166-Y169 WeakPolarHBondContact O-CE1 3.5Å; F167-Y169 PolarHBondContact O-N 3.09Å; Y169-T171 PolarHBondContact O-N 3.1Å
170	S	95.6	Very high	95.9	Very high	122 Å²	122	59 Å²	59	85%	0.853	30%	0.302	S	S	*	.			trans	-59	133.8	171.4	-54.9	0	0	0	0	110.5
171	T	95.9	Very high	95.8	Very high	43 Å²	43	59.7 Å²	59.7	26%	0.264	31%	0.305	S	S	.	.			trans	-113.9	159.1	-177.1	56.6	0	0	0	0	110.7	Y169 T173 E176 L177	Y169-T171 PolarHBondContact O-N 3.1Å; T171-T173 PolarHBondContact OG1-O 3.39Å; T171-E176 WeakPolarHBondContact CB-OE2 3.37Å; T171-E176 HydrophobicContact CG2-CB 3.59Å; T171-E176 WeakPolarHBondContact CG2-OE2 3.21Å; T171-L177 HydrophobicContact CG2-CD2 4.09Å; T171-L177 WeakPolarHBondContact OG1-CD2 3.47Å; T171-L177 VanDerWaalsContact OG1-CG 3.3Å; T171-L177 WeakPolarHBondContact OG1-CG 3.45Å
172	E	96.7	Very high	95.8	Very high	185 Å²	185	65 Å²	65	86%	0.864	33%	0.329	S	S	*	.	S	Bend	trans	-82.9	-26.4	178.1	-60.6	-59.5	152.3	0	0	112.1
173	T	96.5	Very high	95.8	Very high	64 Å²	64	68 Å²	68	39%	0.393	34%	0.342	S	S	.	.	S	Bend	trans	-118.7	152.9	-179	71	0	0	0	0	111.7	T171 E176	T171-T173 PolarHBondContact OG1-O 3.39Å; T173-E176 WeakPolarHBondContact OG1-CG 3.18Å; T173-E176 PolarHBondContact OG1-OE1 3.43Å
174	H	95.5	Very high	95.8	Very high	113 Å²	113	67.5 Å²	67.5	52%	0.523	34%	0.34	S	S	.	.	S	Bend	trans	-69.5	-33.6	176.3	177.6	-92.9	0	0	0	112.3	T144 E176 L177	T144-H174 WeakPolarHBondContact CG2-NE2 3.44Å; H174-E176 PolarHBondContact O-N 2.8Å; H174-L177 WeakPolarHBondContact O-CB 3.47Å; H174-L177 PolarHBondContact O-N 3.44Å
175	E	95.2	Very high	95.9	Very high	158 Å²	158	68.3 Å²	68.3	74%	0.738	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-63.5	-32.4	-178.6	-62.5	178.3	-180	0	0	111.8	L177 L178	E175-L177 PolarHBondContact O-N 3.23Å; E175-L178 PolarHBondContact O-N 3.19Å
176	E	95.1	Very high	95.9	Very high	97 Å²	97	73 Å²	73	45%	0.453	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-64.6	-22.4	175.6	-72.2	163.7	-132.3	0	0	113.2	T171 T173 H174 L178 Y179	T171-E176 WeakPolarHBondContact CB-OE2 3.37Å; T171-E176 HydrophobicContact CG2-CB 3.59Å; T171-E176 WeakPolarHBondContact CG2-OE2 3.21Å; T173-E176 WeakPolarHBondContact OG1-CG 3.18Å; T173-E176 PolarHBondContact OG1-OE1 3.43Å; H174-E176 PolarHBondContact O-N 2.8Å; E176-L178 VanDerWaalsContact C-N 3.34Å; E176-Y179 WeakPolarHBondContact O-CD1 3.16Å; E176-Y179 WeakPolarHBondContact O-CE1 3.47Å
177	L	95.4	Very high	96	Very high	39 Å²	39	72 Å²	72	20%	0.204	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-86	-5	178.2	-64.7	175.2	0	0	0	113.5	M143 T144 T171 H174 E175 Y179	M143-L177 HydrophobicContact CB-CB 4.21Å; M143-L177 HydrophobicContact CB-CD2 4.41Å; M143-L177 VanDerWaalsContact CB-O 3.26Å; M143-L177 WeakPolarHBondContact CB-O 3.4Å; M143-L177 WeakPolarHBondContact CG-O 3.17Å; M143-L177 PolarHBondContact N-O 3.07Å; T144-L177 HydrophobicContact CG2-CB 3.84Å; T144-L177 HydrophobicContact CG2-CD1 3.86Å; T171-L177 HydrophobicContact CG2-CD2 4.09Å; T171-L177 WeakPolarHBondContact OG1-CD2 3.47Å; T171-L177 VanDerWaalsContact OG1-CG 3.3Å; T171-L177 WeakPolarHBondContact OG1-CG 3.45Å; H174-L177 WeakPolarHBondContact O-CB 3.47Å; H174-L177 PolarHBondContact O-N 3.44Å; E175-L177 PolarHBondContact O-N 3.23Å; L177-Y179 PolarHBondContact O-N 3.43Å
178	L	96.2	Very high	96	Very high	75 Å²	75	68.1 Å²	68.1	39%	0.393	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	90.8	173.6	-59.8	176.5	0	0	0	108.2	D142 E175 E176 N180	D142-L178 HydrophobicContact CB-CD2 4.04Å; D142-L178 VanDerWaalsContact CG-CD2 3.41Å; D142-L178 WeakPolarHBondContact OD1-CD2 3.43Å; E175-L178 PolarHBondContact O-N 3.19Å; E176-L178 VanDerWaalsContact C-N 3.34Å; L178-N180 PolarHBondContact O-N 3.3Å
179	Y	97.2	Very high	96	Very high	5 Å²	5	68.8 Å²	68.8	2%	0.02	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	124.2	-173.3	-74.6	7.9	0	0	0	110.8	E94 D140 I141 M143 E176 L177 K183 L184	E94-Y179 HydrophobicContact CG-CE2 3.88Å; E94-Y179 VanDerWaalsContact OE1-CE2 3.32Å; E94-Y179 WeakPolarHBondContact OE1-CE2 3.14Å; E94-Y179 PolarHBondContact OE1-OH 3.49Å; D140-Y179 CarbonylContact C-O 3.51Å; D140-Y179 WeakPolarHBondContact CA-O 3.48Å; I141-Y179 PolarHBondContact N-O 2.89Å; I141-Y179 PolarHBondContact O-N 3.02Å; M143-Y179 HydrophobicContact CE-CD2 4.33Å; M143-Y179 HydrophobicContact CE-CE2 3.96Å; M143-Y179 HydrophobicContact CG-CD1 4.04Å; M143-Y179 HydrophobicContact CG-CD2 3.76Å; M143-Y179 HydrophobicContact CG-CE1 4.16Å; M143-Y179 HydrophobicContact CG-CE2 3.92Å; M143-Y179 HydrophobicContact CG-CG 3.85Å; M143-Y179 HydrophobicContact SD-CD2 3.94Å; M143-Y179 HydrophobicContact SD-CE2 4.17Å; E176-Y179 WeakPolarHBondContact O-CD1 3.16Å; E176-Y179 WeakPolarHBondContact O-CE1 3.47Å; L177-Y179 PolarHBondContact O-N 3.43Å; Y179-K183 HydrophobicContact CD1-CG 3.94Å; Y179-K183 HydrophobicContact CD2-CG 4.16Å; Y179-K183 HydrophobicContact CE1-CG 4.24Å; Y179-K183 HydrophobicContact CE2-CG 4.43Å; Y179-K183 HydrophobicContact CG-CG 3.89Å; Y179-L184 HydrophobicContact CD2-CD2 3.82Å
180	N	96.2	Very high	96.1	Very high	81 Å²	81	74 Å²	74	43%	0.433	37%	0.368	S	S	.	.			trans	-87.3	169.9	168.5	-60.4	-20.1	0	0	0	111	Y139 L178 E182 K183 L184	Y139-N180 CarbonylContact O-C 3.52Å; L178-N180 PolarHBondContact O-N 3.3Å; N180-E182 WeakPolarHBondContact CB-OE2 3.41Å; N180-E182 PolarHBondContact O-N 3.45Å; N180-K183 WeakPolarHBondContact O-CB 3.47Å; N180-K183 PolarHBondContact O-N 2.96Å; N180-K183 VanDerWaalsContact O-N 3.12Å; N180-L184 PolarHBondContact O-N 2.99Å
181	K	96	Very high	96.1	Very high	19 Å²	19	71.3 Å²	71.3	8%	0.083	34%	0.339	C	S	.	.	H	α-helix	trans	-52.5	-42.3	178.2	-177.5	176.5	173.2	170.2	0	112.6	L97 E105 T136 Y139 K183 L184 L185	L97-K181 HydrophobicContact CD1-CG 4.17Å; E105-K181 VanDerWaalsContact CD-NZ 3.26Å; E105-K181 IonicContact OE1-NZ 2.81Å; E105-K181 PolarHBondContact OE1-NZ 2.93Å; E105-K181 WeakPolarHBondContact OE2-CE 3.21Å; E105-K181 IonicContact OE2-NZ 2.88Å; E105-K181 PolarHBondContact OE2-NZ 3.19Å; T136-K181 PolarHBondContact O-NZ 2.89Å; T136-K181 WeakPolarHBondContact OG1-CE 3.46Å; T136-K181 PolarHBondContact OG1-NZ 3.36Å; Y139-K181 VanDerWaalsContact O-CA 3.27Å; Y139-K181 WeakPolarHBondContact O-CA 3.37Å; Y139-K181 PolarHBondContact O-N 3.24Å; K181-K183 PolarHBondContact O-N 3.48Å; K181-L184 PolarHBondContact O-N 3Å; K181-L185 HydrophobicContact CG-CD1 4.08Å; K181-L185 WeakPolarHBondContact O-CG 3.43Å; K181-L185 PolarHBondContact O-N 3.11Å
182	E	95.8	Very high	96	Very high	112 Å²	112	71.9 Å²	71.9	52%	0.523	34%	0.339	S	S	.	.	H	α-helix	trans	-63.2	-42.5	-178.3	-64.7	71.8	-155.6	0	0	111.5	N180 L185 Q186	N180-E182 WeakPolarHBondContact CB-OE2 3.41Å; N180-E182 PolarHBondContact O-N 3.45Å; E182-L185 PolarHBondContact O-N 2.94Å; E182-Q186 VanDerWaalsContact O-CG 3.25Å; E182-Q186 WeakPolarHBondContact O-CG 3.39Å; E182-Q186 PolarHBondContact O-N 3.33Å
183	K	96.4	Very high	96	Very high	65 Å²	65	68 Å²	68	28%	0.283	33%	0.327	S	S	.	.	H	α-helix	trans	-64	-43.2	178.5	175.7	59	173.5	169.2	0	111	Y179 N180 K181 Q186 N187	Y179-K183 HydrophobicContact CD1-CG 3.94Å; Y179-K183 HydrophobicContact CD2-CG 4.16Å; Y179-K183 HydrophobicContact CE1-CG 4.24Å; Y179-K183 HydrophobicContact CE2-CG 4.43Å; Y179-K183 HydrophobicContact CG-CG 3.89Å; N180-K183 WeakPolarHBondContact O-CB 3.47Å; N180-K183 PolarHBondContact O-N 2.96Å; N180-K183 VanDerWaalsContact O-N 3.12Å; K181-K183 PolarHBondContact O-N 3.48Å; K183-Q186 PolarHBondContact O-N 2.96Å; K183-N187 VanDerWaalsContact O-CG 3.27Å; K183-N187 PolarHBondContact O-N 3.48Å; K183-N187 PolarHBondContact O-OD1 3.45Å
184	L	96.6	Very high	95.9	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-65.6	-38	177.5	-67.4	167.3	0	0	0	112.6	H95 L97 Y139 I141 Y179 N180 K181 N187 G188	H95-L184 HydrophobicContact CB-CD2 3.79Å; H95-L184 WeakPolarHBondContact O-CD2 3.26Å; L97-L184 HydrophobicContact CB-CB 4.2Å; L97-L184 HydrophobicContact CD1-CB 3.87Å; L97-L184 HydrophobicContact CD1-CD1 4.28Å; L97-L184 HydrophobicContact CG-CB 3.87Å; L97-L184 PolarHBondContact N-O 3.26Å; Y139-L184 HydrophobicContact CD1-CD1 3.64Å; Y139-L184 HydrophobicContact CE1-CD1 4.02Å; I141-L184 HydrophobicContact CB-CD1 4.5Å; I141-L184 HydrophobicContact CD1-CD1 3.72Å; I141-L184 HydrophobicContact CD1-CD2 3.92Å; I141-L184 HydrophobicContact CD1-CG 4.5Å; I141-L184 HydrophobicContact CG1-CD1 3.81Å; Y179-L184 HydrophobicContact CD2-CD2 3.82Å; N180-L184 PolarHBondContact O-N 2.99Å; K181-L184 PolarHBondContact O-N 3Å; L184-N187 PolarHBondContact O-N 3.36Å; L184-G188 PolarHBondContact O-N 2.93Å
185	L	96.2	Very high	95.9	Very high	20 Å²	20	63.3 Å²	63.3	11%	0.105	30%	0.302	C	S	.	.	H	α-helix	trans	-67.2	-42	173.8	-75.1	171.3	0	0	0	111.5	L97 K181 E182 N187 G188 D189	L97-L185 HydrophobicContact CB-CD2 3.72Å; L97-L185 HydrophobicContact CB-CG 4.15Å; L97-L185 HydrophobicContact CD1-CD2 4.47Å; L97-L185 HydrophobicContact CD1-CG 4.32Å; K181-L185 HydrophobicContact CG-CD1 4.08Å; K181-L185 WeakPolarHBondContact O-CG 3.43Å; K181-L185 PolarHBondContact O-N 3.11Å; E182-L185 PolarHBondContact O-N 2.94Å; L185-N187 VanDerWaalsContact C-N 3.3Å; L185-N187 PolarHBondContact O-N 3.41Å; L185-G188 PolarHBondContact O-N 2.79Å; L185-G188 VanDerWaalsContact O-N 3.15Å; L185-D189 VanDerWaalsContact O-CG 3.25Å; L185-D189 PolarHBondContact O-N 2.91Å
186	Q	96.6	Very high	95.8	Very high	110 Å²	110	57 Å²	57	51%	0.514	28%	0.275	S	S	.	.	H	α-helix	trans	-61.2	-38.9	174.4	-73	170.4	13.4	0	0	112.2	E182 K183 D189 R190	E182-Q186 VanDerWaalsContact O-CG 3.25Å; E182-Q186 WeakPolarHBondContact O-CG 3.39Å; E182-Q186 PolarHBondContact O-N 3.33Å; K183-Q186 PolarHBondContact O-N 2.96Å; Q186-D189 PolarHBondContact O-N 2.9Å; Q186-R190 WeakPolarHBondContact O-CB 3.37Å; Q186-R190 PolarHBondContact O-N 2.82Å
187	N	96.9	Very high	95.9	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-64.6	-41.6	174.2	-72.6	-5.9	0	0	0	111.2	E94 H95 A96 K183 L184 L185 R190 W191	E94-N187 PolarHBondContact OE1-ND2 3.43Å; H95-N187 PolarHBondContact O-ND2 3.44Å; A96-N187 HydrophobicContact CB-CB 4.24Å; K183-N187 VanDerWaalsContact O-CG 3.27Å; K183-N187 PolarHBondContact O-N 3.48Å; K183-N187 PolarHBondContact O-OD1 3.45Å; L184-N187 PolarHBondContact O-N 3.36Å; L185-N187 VanDerWaalsContact C-N 3.3Å; L185-N187 PolarHBondContact O-N 3.41Å; N187-R190 PolarHBondContact O-N 3.43Å; N187-W191 WeakPolarHBondContact O-CB 3.42Å; N187-W191 VanDerWaalsContact O-CD1 3.26Å; N187-W191 PolarHBondContact O-N 2.95Å
188	G	96	Very high	95.8	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-59.6	-50.5	172.5	0	0	0	0	0	112.2	L97 L184 L185 R190 W191 E192	L97-G188 WeakPolarHBondContact O-CA 3.41Å; L184-G188 PolarHBondContact O-N 2.93Å; L185-G188 PolarHBondContact O-N 2.79Å; L185-G188 VanDerWaalsContact O-N 3.15Å; G188-R190 PolarHBondContact O-N 3.2Å; G188-W191 PolarHBondContact O-N 3.43Å; G188-E192 WeakPolarHBondContact O-CA 3.41Å; G188-E192 VanDerWaalsContact O-CB 3.24Å; G188-E192 WeakPolarHBondContact O-CB 3.48Å; G188-E192 PolarHBondContact O-N 3.45Å
189	D	95.8	Very high	95.7	Very high	92 Å²	92	55.3 Å²	55.3	49%	0.492	27%	0.266	S	S	.	.	H	α-helix	trans	-60.4	-32.7	179.3	-65.8	-29.1	0	0	0	111.8	R99 L185 Q186	R99-D189 WeakPolarHBondContact CD-OD1 3.44Å; R99-D189 IonicContact CZ-OD1 3.18Å; R99-D189 IonicContact CZ-OD2 2.69Å; R99-D189 IonicContact NE-OD1 2.71Å; R99-D189 PolarHBondContact NE-OD1 3.48Å; R99-D189 IonicContact NE-OD2 3.82Å; R99-D189 PolarHBondContact NE-OD2 2.87Å; R99-D189 IonicContact NH2-OD1 3.05Å; R99-D189 IonicContact NH2-OD2 3.83Å; R99-D189 PolarHBondContact NH2-OD2 2.92Å; L185-D189 VanDerWaalsContact O-CG 3.25Å; L185-D189 PolarHBondContact O-N 2.91Å; Q186-D189 PolarHBondContact O-N 2.9Å
190	R	95.9	Very high	95.5	Very high	154 Å²	154	62 Å²	62	58%	0.581	30%	0.295	S	S	*	.	H	α-helix	trans	-73.1	-44.2	175.9	-175.9	-178.3	-61	169.6	1.3	113.2	Q186 N187 G188	Q186-R190 WeakPolarHBondContact O-CB 3.37Å; Q186-R190 PolarHBondContact O-N 2.82Å; N187-R190 PolarHBondContact O-N 3.43Å; G188-R190 PolarHBondContact O-N 3.2Å
191	W	96.2	Very high	95.5	Very high	64 Å²	64	60.8 Å²	60.8	24%	0.242	30%	0.296	C	S	.	.	H	α-helix	trans	-104.4	3.5	-169.4	-65.1	111.5	0	0	0	114.1	P165 N166 N187 G188 V193 E194 I195	P165-W191 HydrophobicContact CG-CE3 4.05Å; N166-W191 HydrophobicContact CB-CD2 4.43Å; N166-W191 HydrophobicContact CB-CH2 4.33Å; N166-W191 HydrophobicContact CB-CZ2 3.6Å; N187-W191 WeakPolarHBondContact O-CB 3.42Å; N187-W191 VanDerWaalsContact O-CD1 3.26Å; N187-W191 PolarHBondContact O-N 2.95Å; G188-W191 PolarHBondContact O-N 3.43Å; W191-V193 PolarHBondContact O-N 3.47Å; W191-V193 VanDerWaalsContact O-N 3.15Å; W191-E194 WeakPolarHBondContact CZ3-OE2 3.34Å; W191-E194 PolarHBondContact O-N 3.27Å; W191-I195 HydrophobicContact CB-CD1 3.61Å; W191-I195 HydrophobicContact CB-CG1 4.07Å; W191-I195 WeakPolarHBondContact O-CB 3.37Å; W191-I195 VanDerWaalsContact O-CG1 3.27Å; W191-I195 WeakPolarHBondContact O-CG1 3.42Å; W191-I195 PolarHBondContact O-N 3.06Å
192	E	94.8	Very high	95.3	Very high	55 Å²	55	60.4 Å²	60.4	26%	0.257	30%	0.295	S	S	.	.	H	α-helix	trans	-56	-37	-173.1	-178.7	56.4	-151.3	0	0	113	R98 G188 S196	R98-E192 WeakPolarHBondContact CG-OE2 3.36Å; R98-E192 IonicContact CZ-OE1 2.84Å; R98-E192 IonicContact CZ-OE2 3.3Å; R98-E192 IonicContact NE-OE1 3.07Å; R98-E192 PolarHBondContact NE-OE1 2.86Å; R98-E192 IonicContact NE-OE2 2.84Å; R98-E192 PolarHBondContact NE-OE2 2.93Å; R98-E192 IonicContact NH2-OE1 3.3Å; R98-E192 PolarHBondContact NH2-OE1 3.38Å; R98-E192 IonicContact NH2-OE2 3.41Å; G188-E192 WeakPolarHBondContact O-CA 3.41Å; G188-E192 VanDerWaalsContact O-CB 3.24Å; G188-E192 WeakPolarHBondContact O-CB 3.48Å; G188-E192 PolarHBondContact O-N 3.45Å; E192-S196 WeakPolarHBondContact O-CB 3.41Å; E192-S196 PolarHBondContact O-N 2.73Å; E192-S196 PolarHBondContact O-OG 3.41Å
193	V	94.8	Very high	95.1	Very high	103 Å²	103	62.5 Å²	62.5	62%	0.624	30%	0.299	S	S	*	.	H	α-helix	trans	-59.5	-56.5	179	-179.7	0	0	0	0	110.1	W191 S196 E197	W191-V193 PolarHBondContact O-N 3.47Å; W191-V193 VanDerWaalsContact O-N 3.15Å; V193-S196 PolarHBondContact O-N 2.81Å; V193-S196 PolarHBondContact O-OG 3.01Å; V193-E197 WeakPolarHBondContact O-CG 3.32Å; V193-E197 PolarHBondContact O-N 2.96Å; V193-E197 VanDerWaalsContact O-N 3.11Å
194	E	95	Very high	95	Very high	75 Å²	75	64.1 Å²	64.1	35%	0.35	31%	0.314	S	S	.	.	H	α-helix	trans	-69.4	-39.4	-177.2	-166.4	176.7	169.4	0	0	112.3	P165 W191 S196 E197 N198	P165-E194 HydrophobicContact CB-CG 4.41Å; P165-E194 WeakPolarHBondContact CB-OE1 3.18Å; P165-E194 HydrophobicContact CG-CB 4.23Å; P165-E194 HydrophobicContact CG-CG 3.81Å; P165-E194 WeakPolarHBondContact CG-OE1 3.33Å; P165-E194 WeakPolarHBondContact CG-OE2 3.32Å; W191-E194 WeakPolarHBondContact CZ3-OE2 3.34Å; W191-E194 PolarHBondContact O-N 3.27Å; E194-S196 VanDerWaalsContact C-N 3.3Å; E194-S196 PolarHBondContact O-N 3.45Å; E194-E197 PolarHBondContact O-N 3.5Å; E194-N198 WeakPolarHBondContact O-CB 3.4Å; E194-N198 PolarHBondContact O-N 2.84Å; E194-N198 PolarHBondContact O-ND2 3.13Å
195	I	95.4	Very high	94.9	Very high	5 Å²	5	72.6 Å²	72.6	3%	0.026	35%	0.348	C	S	.	.	H	α-helix	trans	-57.8	-45.4	172.6	-73.1	168.9	0	0	0	110.3	A96 R98 V162 W191 E197 N198 L199	A96-I195 HydrophobicContact CB-CD1 3.81Å; R98-I195 HydrophobicContact CG-CG2 4.36Å; V162-I195 HydrophobicContact CG2-CD1 3.88Å; V162-I195 HydrophobicContact CG2-CG1 4.37Å; V162-I195 HydrophobicContact CG2-CG2 3.78Å; W191-I195 HydrophobicContact CB-CD1 3.61Å; W191-I195 HydrophobicContact CB-CG1 4.07Å; W191-I195 WeakPolarHBondContact O-CB 3.37Å; W191-I195 VanDerWaalsContact O-CG1 3.27Å; W191-I195 WeakPolarHBondContact O-CG1 3.42Å; W191-I195 PolarHBondContact O-N 3.06Å; I195-E197 VanDerWaalsContact C-N 3.3Å; I195-E197 PolarHBondContact O-N 3.04Å; I195-N198 PolarHBondContact O-N 3.25Å; I195-L199 HydrophobicContact CG2-CD1 3.73Å; I195-L199 HydrophobicContact CG2-CG 4.44Å; I195-L199 WeakPolarHBondContact O-CB 3.48Å; I195-L199 WeakPolarHBondContact O-CD1 3.35Å; I195-L199 WeakPolarHBondContact O-CG 3.23Å; I195-L199 PolarHBondContact O-N 2.94Å
196	S	94.2	Very high	94.2	Very high	25 Å²	25	78.2 Å²	78.2	18%	0.175	37%	0.367	C	S	.	.	H	α-helix	trans	-65.2	-35.1	-179.8	82.2	0	0	0	0	112.2	E192 V193 E194 K200	E192-S196 WeakPolarHBondContact O-CB 3.41Å; E192-S196 PolarHBondContact O-N 2.73Å; E192-S196 PolarHBondContact O-OG 3.41Å; V193-S196 PolarHBondContact O-N 2.81Å; V193-S196 PolarHBondContact O-OG 3.01Å; E194-S196 VanDerWaalsContact C-N 3.3Å; E194-S196 PolarHBondContact O-N 3.45Å; S196-K200 WeakPolarHBondContact O-CB 3.31Å; S196-K200 WeakPolarHBondContact O-CD 3.4Å; S196-K200 WeakPolarHBondContact O-CG 3.36Å; S196-K200 PolarHBondContact O-N 3.36Å
197	E	95.3	Very high	94.1	Very high	112 Å²	112	76.6 Å²	76.6	52%	0.523	36%	0.36	S	S	.	.	H	α-helix	trans	-69.9	-47.1	176.5	-72.1	175.9	177.8	0	0	111.7	V193 E194 I195 L199 K200 A201	V193-E197 WeakPolarHBondContact O-CG 3.32Å; V193-E197 PolarHBondContact O-N 2.96Å; V193-E197 VanDerWaalsContact O-N 3.11Å; E194-E197 PolarHBondContact O-N 3.5Å; I195-E197 VanDerWaalsContact C-N 3.3Å; I195-E197 PolarHBondContact O-N 3.04Å; E197-L199 VanDerWaalsContact C-N 3.31Å; E197-L199 PolarHBondContact O-N 2.82Å; E197-K200 WeakPolarHBondContact O-CB 3.36Å; E197-K200 PolarHBondContact O-N 3.02Å; E197-A201 PolarHBondContact O-N 2.67Å
198	N	95.2	Very high	93.9	Very high	42 Å²	42	80.6 Å²	80.6	23%	0.225	38%	0.379	C	S	.	.	H	α-helix	trans	-61	-40.6	176.8	-75.2	-26.5	0	0	0	111.8	P89 E194 I195 A201 D202	P89-N198 HydrophobicContact CB-CB 4.35Å; E194-N198 WeakPolarHBondContact O-CB 3.4Å; E194-N198 PolarHBondContact O-N 2.84Å; E194-N198 PolarHBondContact O-ND2 3.13Å; I195-N198 PolarHBondContact O-N 3.25Å; N198-A201 WeakPolarHBondContact O-CB 3.42Å; N198-A201 PolarHBondContact O-N 3.47Å; N198-D202 WeakPolarHBondContact O-CB 3.44Å; N198-D202 PolarHBondContact O-N 3.12Å
199	L	93.2	Very high	93.8	Very high	22 Å²	22	85.1 Å²	85.1	12%	0.115	40%	0.4	C	S	.	.	H	α-helix	trans	-68.3	-38.7	175.8	-69.6	170.7	0	0	0	112.7	R98 V162 I195 E197 A201 D202 Y203	R98-L199 VanDerWaalsContact CZ-CD1 3.44Å; V162-L199 HydrophobicContact CG1-CD1 4.31Å; I195-L199 HydrophobicContact CG2-CD1 3.73Å; I195-L199 HydrophobicContact CG2-CG 4.44Å; I195-L199 WeakPolarHBondContact O-CB 3.48Å; I195-L199 WeakPolarHBondContact O-CD1 3.35Å; I195-L199 WeakPolarHBondContact O-CG 3.23Å; I195-L199 PolarHBondContact O-N 2.94Å; E197-L199 VanDerWaalsContact C-N 3.31Å; E197-L199 PolarHBondContact O-N 2.82Å; L199-A201 PolarHBondContact O-N 3.28Å; L199-D202 PolarHBondContact O-N 3.08Å; L199-Y203 WeakPolarHBondContact O-CB 3.4Å; L199-Y203 PolarHBondContact O-N 2.9Å
200	K	93.9	Very high	93.7	Very high	144 Å²	144	84.6 Å²	84.6	63%	0.626	39%	0.394	S	S	*	.	H	α-helix	trans	-62	-28.3	171.8	-75.7	165.6	-173.1	165.5	0	112.4	S196 E197 Y203	S196-K200 WeakPolarHBondContact O-CB 3.31Å; S196-K200 WeakPolarHBondContact O-CD 3.4Å; S196-K200 WeakPolarHBondContact O-CG 3.36Å; S196-K200 PolarHBondContact O-N 3.36Å; E197-K200 WeakPolarHBondContact O-CB 3.36Å; E197-K200 PolarHBondContact O-N 3.02Å; K200-Y203 WeakPolarHBondContact O-CD1 3.49Å; K200-Y203 WeakPolarHBondContact O-CE1 3.49Å
201	A	94.6	Very high	93.6	Very high	57 Å²	57	80.3 Å²	80.3	47%	0.471	38%	0.382	S	S	.	.	H	α-helix	trans	-79.2	-30.8	174.7	0	0	0	0	0	113.1	P89 E197 N198 L199	P89-A201 HydrophobicContact CB-CB 4.17Å; P89-A201 HydrophobicContact CG-CB 4.28Å; E197-A201 PolarHBondContact O-N 2.67Å; N198-A201 WeakPolarHBondContact O-CB 3.42Å; N198-A201 PolarHBondContact O-N 3.47Å; L199-A201 PolarHBondContact O-N 3.28Å
202	D	93.4	Very high	93.4	Very high	10 Å²	10	81.4 Å²	81.4	5%	0.053	39%	0.392	C	S	.	.	H	α-helix	trans	-102.3	-20.6	-170.2	-171.5	48	0	0	0	115.4	R90 N198 L199 V204 Y205 R206	R90-D202 WeakPolarHBondContact CG-OD1 3.31Å; R90-D202 IonicContact CZ-OD1 2.7Å; R90-D202 IonicContact NE-OD1 3.59Å; R90-D202 PolarHBondContact NE-OD1 3.46Å; R90-D202 IonicContact NH2-OD1 3.99Å; R90-D202 PolarHBondContact NH2-OD1 3.31Å; N198-D202 WeakPolarHBondContact O-CB 3.44Å; N198-D202 PolarHBondContact O-N 3.12Å; L199-D202 PolarHBondContact O-N 3.08Å; D202-V204 PolarHBondContact O-N 2.89Å; D202-Y205 PolarHBondContact O-N 2.96Å; D202-R206 IonicContact OD2-CZ 3.91Å; D202-R206 VanDerWaalsContact OD2-CZ 3.3Å; D202-R206 IonicContact OD2-NE 2.76Å; D202-R206 PolarHBondContact OD2-NE 3.02Å; D202-R206 IonicContact OD2-NH2 3.8Å; D202-R206 PolarHBondContact OD2-NH2 3.05Å
203	Y	91.3	Very high	93.3	Very high	156 Å²	156	83.3 Å²	83.3	61%	0.612	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-55.8	-25.1	-167.8	77.4	-81.5	0	0	0	115.8	L199 K200 Y205	L199-Y203 WeakPolarHBondContact O-CB 3.4Å; L199-Y203 PolarHBondContact O-N 2.9Å; K200-Y203 WeakPolarHBondContact O-CD1 3.49Å; K200-Y203 WeakPolarHBondContact O-CE1 3.49Å; Y203-Y205 PolarHBondContact O-N 3.27Å
204	V	94	Very high	93.2	Very high	99 Å²	99	81.8 Å²	81.8	60%	0.6	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-71.3	-21.8	179.9	-177.3	0	0	0	0	112.2	D202	D202-V204 PolarHBondContact O-N 2.89Å
205	Y	93.9	Very high	93	Very high	178 Å²	178	82.3 Å²	82.3	70%	0.698	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-98.5	2.8	-174.4	-60.3	-84.3	0	0	0	113.5	D202 Y203	D202-Y205 PolarHBondContact O-N 2.96Å; Y203-Y205 PolarHBondContact O-N 3.27Å
206	R	81.9	Confident	92.8	Very high	138 Å²	138	89.4 Å²	89.4	52%	0.521	42%	0.42	S	S	.	.			trans	-101.5	0	176.4	-60.5	-176.3	-173.7	-171.9	0.2	110.1	Q153 D202	Q153-R206 VanDerWaalsContact NE2-CZ 3.34Å; D202-R206 IonicContact OD2-CZ 3.91Å; D202-R206 VanDerWaalsContact OD2-CZ 3.3Å; D202-R206 IonicContact OD2-NE 2.76Å; D202-R206 PolarHBondContact OD2-NE 3.02Å; D202-R206 IonicContact OD2-NH2 3.8Å; D202-R206 PolarHBondContact OD2-NH2 3.05Å

Retrieved 206 of 206 residues in 52.8 ms (Link to these results)

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