A0A087Y3C7_POEFO Loading...

Cation-dependent mannose-6-phosphate receptor

Transport of phosphorylated lysosomal enzymes from the Golgi complex and the cell surface to lysosomes. Lysosomal enzymes bearing phosphomannosyl residues bind specifically to mannose-6-phosphate receptors in the Golgi apparatus and the resulting receptor-ligand complex is transported to an acidic prelyosomal compartment where the low pH mediates the dissociation of the complex.

AlphaFold DB , UniProt , Accession A0A087Y3C7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 277 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	38.1	Very low	40.8	Very low	241 Å²	241	164.4 Å²	164.4	100%	1.187	81%	0.806	S	S	*	*				0	101.7	0	-155.6	165.4	179.1	0	0	107.3
2	K	31.4	Very low	42	Very low	204 Å²	204	158.2 Å²	158.2	89%	0.887	78%	0.784	S	S	*	*			trans	-77.4	122	-172	-75.4	178	175.6	176.9	0	109.4	F4	K2-F4 PolarHBondContact O-N 2.68Å
3	L	37.6	Very low	42.9	Very low	163 Å²	163	155.5 Å²	155.5	85%	0.853	77%	0.774	S	S	*	*			trans	-65	112.9	169.9	-93.1	98.7	0	0	0	109.5	R5	L3-R5 PolarHBondContact O-N 3.47Å
4	F	34	Very low	43.6	Very low	190 Å²	190	158.5 Å²	158.5	83%	0.833	77%	0.772	S	S	*	*			trans	-73.5	96.9	161.5	-108.3	-95.4	0	0	0	108.3	K2 I6	K2-F4 PolarHBondContact O-N 2.68Å; F4-I6 HydrophobicContact CD1-CG1 4.49Å; F4-I6 PolarHBondContact O-N 2.91Å
5	R	39.1	Very low	44.5	Very low	230 Å²	230	150.9 Å²	150.9	87%	0.868	75%	0.745	S	S	*	*			trans	-77.7	104.3	162	-103.3	-177.9	178.4	178.3	-0	107.5	L3 P7	L3-R5 PolarHBondContact O-N 3.47Å; R5-P7 WeakPolarHBondContact O-CD 2.9Å
6	I	38.3	Very low	45.3	Very low	128 Å²	128	146.9 Å²	146.9	66%	0.656	73%	0.727	S	S	*	*			trans	-87.4	116.5	169.4	-58.3	171.5	0	0	0	107.4	F4 M8	F4-I6 HydrophobicContact CD1-CG1 4.49Å; F4-I6 PolarHBondContact O-N 2.91Å; I6-M8 HydrophobicContact CG2-CB 4.36Å; I6-M8 PolarHBondContact O-N 3.23Å; I6-M8 VanDerWaalsContact O-N 3.08Å
7	P	39.1	Very low	46	Very low	117 Å²	117	144.2 Å²	144.2	76%	0.76	72%	0.715	S	S	*	*			trans	-81.9	86.7	174.2	32.7	-28.9	0	0	0	108.7	R5 R9	R5-P7 WeakPolarHBondContact O-CD 2.9Å; P7-R9 PolarHBondContact O-N 3.49Å
8	M	43	Very low	46.6	Very low	163 Å²	163	139.7 Å²	139.7	80%	0.803	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	23.7	-173.7	-153.6	177.1	142	0	0	114	I6	I6-M8 HydrophobicContact CG2-CB 4.36Å; I6-M8 PolarHBondContact O-N 3.23Å; I6-M8 VanDerWaalsContact O-N 3.08Å
9	R	47.9	Very low	47.1	Very low	232 Å²	232	139.1 Å²	139.1	88%	0.875	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.8	-15.2	-169.9	-147.7	170.7	177.2	-179.2	-2.3	115.4	P7	P7-R9 PolarHBondContact O-N 3.49Å
10	G	45.9	Very low	47.3	Very low	50 Å²	50	138.3 Å²	138.3	52%	0.515	69%	0.689	S	S	.	*	S	Bend	trans	-100.5	-26.1	178.8	0	0	0	0	0	115.2	W14	G10-W14 PolarHBondContact O-N 2Å
11	S	54.3	Low	47.6	Very low	90 Å²	90	137.7 Å²	137.7	63%	0.629	69%	0.688	S	S	*	*	H	α-helix	trans	-75	-33.3	-167.9	-153.6	0	0	0	0	113.7	A15	S11-A15 WeakPolarHBondContact O-CB 3.3Å; S11-A15 PolarHBondContact O-N 3.02Å
12	V	55.1	Low	48	Very low	90 Å²	90	132.8 Å²	132.8	55%	0.545	67%	0.666	S	S	.	*	H	α-helix	trans	-73.4	-41.1	-177.1	-175.1	0	0	0	0	111.5	W14 A15 I16	V12-W14 VanDerWaalsContact C-N 3.32Å; V12-W14 PolarHBondContact O-N 3.21Å; V12-A15 PolarHBondContact O-N 3Å; V12-I16 HydrophobicContact CG1-CD1 3.9Å; V12-I16 VanDerWaalsContact O-CG1 3.25Å; V12-I16 WeakPolarHBondContact O-CG1 3.41Å; V12-I16 PolarHBondContact O-N 3.37Å
13	L	53.5	Low	48.6	Very low	124 Å²	124	128 Å²	128	65%	0.649	66%	0.656	S	S	*	*	H	α-helix	trans	-64.3	-38.5	175.4	-88.5	153.2	0	0	0	111.7	L17	L13-L17 WeakPolarHBondContact O-CB 3Å; L13-L17 PolarHBondContact O-N 3.15Å
14	W	52.5	Low	48.9	Very low	197 Å²	197	130.7 Å²	130.7	75%	0.746	66%	0.655	S	S	*	*	H	α-helix	trans	-69.7	-38.7	175.7	-121	52.9	0	0	0	112.4	G10 V12 L17 T18	G10-W14 PolarHBondContact O-N 2Å; V12-W14 VanDerWaalsContact C-N 3.32Å; V12-W14 PolarHBondContact O-N 3.21Å; W14-L17 PolarHBondContact O-N 3.42Å; W14-T18 WeakPolarHBondContact O-CG2 3.09Å; W14-T18 PolarHBondContact O-N 3.41Å; W14-T18 PolarHBondContact O-OG1 3.07Å
15	A	58.3	Low	49.5	Very low	45 Å²	45	128.7 Å²	128.7	37%	0.372	65%	0.653	S	S	.	*	H	α-helix	trans	-65.9	-37.5	175.2	0	0	0	0	0	112.9	S11 V12 T18 Q19	S11-A15 WeakPolarHBondContact O-CB 3.3Å; S11-A15 PolarHBondContact O-N 3.02Å; V12-A15 PolarHBondContact O-N 3Å; A15-T18 WeakPolarHBondContact CA-OG1 3.39Å; A15-T18 PolarHBondContact O-OG1 3.02Å; A15-Q19 WeakPolarHBondContact O-CB 3.38Å; A15-Q19 PolarHBondContact O-N 3.15Å
16	I	57.6	Low	49.6	Very low	87 Å²	87	120.6 Å²	120.6	45%	0.446	64%	0.641	S	S	.	*	H	α-helix	trans	-69.7	-39.3	175.1	-67.5	166	0	0	0	110.5	V12 Q19 L20	V12-I16 HydrophobicContact CG1-CD1 3.9Å; V12-I16 VanDerWaalsContact O-CG1 3.25Å; V12-I16 WeakPolarHBondContact O-CG1 3.41Å; V12-I16 PolarHBondContact O-N 3.37Å; I16-Q19 PolarHBondContact O-N 2.68Å; I16-L20 HydrophobicContact CG2-CD1 3.94Å; I16-L20 WeakPolarHBondContact O-CB 3.38Å; I16-L20 PolarHBondContact O-N 3.31Å
17	L	56.2	Low	50.1	Low	100 Å²	100	121 Å²	121	52%	0.524	65%	0.65	S	S	.	*	H	α-helix	trans	-67.1	-38.9	176.8	-139.6	87.7	0	0	0	112	L13 W14 L20 L21	L13-L17 WeakPolarHBondContact O-CB 3Å; L13-L17 PolarHBondContact O-N 3.15Å; W14-L17 PolarHBondContact O-N 3.42Å; L17-L20 PolarHBondContact O-N 2.94Å; L17-L21 WeakPolarHBondContact O-CB 3.16Å; L17-L21 WeakPolarHBondContact O-CD1 3.42Å; L17-L21 WeakPolarHBondContact O-CG 3.42Å; L17-L21 PolarHBondContact O-N 2.82Å
18	T	57.3	Low	50.2	Low	63 Å²	63	124.5 Å²	124.5	39%	0.387	65%	0.653	S	S	.	*	H	α-helix	trans	-72.2	-34.8	176	53.2	0	0	0	0	112	W14 A15 L21 L22	W14-T18 WeakPolarHBondContact O-CG2 3.09Å; W14-T18 PolarHBondContact O-N 3.41Å; W14-T18 PolarHBondContact O-OG1 3.07Å; A15-T18 WeakPolarHBondContact CA-OG1 3.39Å; A15-T18 PolarHBondContact O-OG1 3.02Å; T18-L21 PolarHBondContact O-N 2.72Å; T18-L22 WeakPolarHBondContact O-CB 3.01Å; T18-L22 VanDerWaalsContact O-CG 3.24Å; T18-L22 WeakPolarHBondContact O-CG 2.88Å; T18-L22 PolarHBondContact O-N 2.95Å
19	Q	55	Low	50.4	Low	129 Å²	129	121 Å²	121	60%	0.603	65%	0.65	S	S	*	*	H	α-helix	trans	-66	-40	169.4	-84.1	-179.3	-36.9	0	0	112.5	A15 I16 L21 L22 C23	A15-Q19 WeakPolarHBondContact O-CB 3.38Å; A15-Q19 PolarHBondContact O-N 3.15Å; I16-Q19 PolarHBondContact O-N 2.68Å; Q19-L21 VanDerWaalsContact C-N 3.3Å; Q19-L21 PolarHBondContact O-N 3.27Å; Q19-L22 PolarHBondContact O-N 2.67Å; Q19-C23 WeakPolarHBondContact O-CB 3.23Å; Q19-C23 PolarHBondContact O-N 3Å; Q19-C23 PolarHBondContact O-SG 2.78Å
20	L	52.6	Low	50.8	Low	122 Å²	122	111.3 Å²	111.3	64%	0.639	62%	0.623	S	S	*	*	H	α-helix	trans	-64.3	-33.1	173.2	-91.4	152.9	0	0	0	112.8	I16 L17	I16-L20 HydrophobicContact CG2-CD1 3.94Å; I16-L20 WeakPolarHBondContact O-CB 3.38Å; I16-L20 PolarHBondContact O-N 3.31Å; L17-L20 PolarHBondContact O-N 2.94Å
21	L	51.9	Low	52.1	Low	127 Å²	127	114.1 Å²	114.1	67%	0.665	63%	0.626	S	S	*	*	H	α-helix	trans	-74.6	-31.4	173.7	-81.1	157.8	0	0	0	112.9	L17 T18 Q19	L17-L21 WeakPolarHBondContact O-CB 3.16Å; L17-L21 WeakPolarHBondContact O-CD1 3.42Å; L17-L21 WeakPolarHBondContact O-CG 3.42Å; L17-L21 PolarHBondContact O-N 2.82Å; T18-L21 PolarHBondContact O-N 2.72Å; Q19-L21 VanDerWaalsContact C-N 3.3Å; Q19-L21 PolarHBondContact O-N 3.27Å
22	L	47.8	Very low	53.2	Low	138 Å²	138	110.1 Å²	110.1	72%	0.723	60%	0.599	S	S	*	*	H	α-helix	trans	-83.5	-22.3	177.5	-70.8	168.3	0	0	0	113.6	T18 Q19 R24	T18-L22 WeakPolarHBondContact O-CB 3.01Å; T18-L22 VanDerWaalsContact O-CG 3.24Å; T18-L22 WeakPolarHBondContact O-CG 2.88Å; T18-L22 PolarHBondContact O-N 2.95Å; Q19-L22 PolarHBondContact O-N 2.67Å; L22-R24 PolarHBondContact O-N 2.78Å
23	C	42.8	Very low	54.6	Low	102 Å²	102	106 Å²	106	69%	0.689	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	2.1	173.5	-73	0	0	0	0	113.9	Q19 N25	Q19-C23 WeakPolarHBondContact O-CB 3.23Å; Q19-C23 PolarHBondContact O-N 3Å; Q19-C23 PolarHBondContact O-SG 2.78Å; C23-N25 PolarHBondContact O-N 3.44Å
24	R	44.7	Very low	56.2	Low	221 Å²	221	106.3 Å²	106.3	83%	0.834	57%	0.57	S	S	*	*			trans	-78.7	69.5	166.7	-152.2	178.8	-167.8	-169.1	2.8	108.1	L22 G26	L22-R24 PolarHBondContact O-N 2.78Å; R24-G26 VanDerWaalsContact C-N 3.32Å; R24-G26 PolarHBondContact O-N 2.95Å
25	N	47.5	Very low	57.9	Low	148 Å²	148	99 Å²	99	79%	0.791	55%	0.551	S	S	*	*			trans	-53.5	105.4	163.8	-79.7	-13.1	0	0	0	106.2	C23 V27	C23-N25 PolarHBondContact O-N 3.44Å; N25-V27 PolarHBondContact O-N 2.88Å
26	G	40.9	Very low	59.4	Low	60 Å²	60	97 Å²	97	62%	0.619	53%	0.534	S	S	*	.			trans	-60.4	112.4	178.4	0	0	0	0	0	107.6	R24 F28	R24-G26 VanDerWaalsContact C-N 3.32Å; R24-G26 PolarHBondContact O-N 2.95Å; G26-F28 PolarHBondContact O-N 2.71Å
27	V	47.2	Very low	61	Low	137 Å²	137	99.4 Å²	99.4	83%	0.83	54%	0.542	S	S	*	.			trans	-63.6	97.7	151.9	176.9	0	0	0	0	104.1	N25 A29	N25-V27 PolarHBondContact O-N 2.88Å; V27-A29 PolarHBondContact O-N 2.8Å
28	F	42.2	Very low	62.7	Low	189 Å²	189	95.8 Å²	95.8	83%	0.829	52%	0.523	S	S	*	.			trans	-63.3	96.5	166.7	-110.4	-91.4	0	0	0	105.7	G26 G30	G26-F28 PolarHBondContact O-N 2.71Å; F28-G30 PolarHBondContact O-N 2.98Å
29	A	46.8	Very low	63.6	Low	90 Å²	90	96 Å²	96	74%	0.744	54%	0.537	S	S	*	.			trans	-70	78.3	165	0	0	0	0	0	107	V27	V27-A29 PolarHBondContact O-N 2.8Å
30	G	57.6	Low	64.7	Low	29 Å²	29	94.5 Å²	94.5	30%	0.299	54%	0.537	S	S	.	.			trans	-66.8	162	167.4	0	0	0	0	0	110.2	F28 E53	F28-G30 PolarHBondContact O-N 2.98Å; G30-E53 VanDerWaalsContact C-CD 3.44Å; G30-E53 WeakPolarHBondContact CA-OE1 3.47Å; G30-E53 VanDerWaalsContact O-CD 3.26Å; G30-E53 VanDerWaalsContact O-OE1 3.11Å
31	N	72.8	Confident	65.9	Low	109 Å²	109	98 Å²	98	58%	0.583	55%	0.55	S	S	*	*	S	Bend	trans	-95.2	9.9	172.6	-81.1	-20.7	0	0	0	112.1	T33 K34 E53	N31-T33 PolarHBondContact O-N 2.77Å; N31-K34 HydrophobicContact CB-CD 4.11Å; N31-K34 WeakPolarHBondContact O-CB 3.26Å; N31-K34 PolarHBondContact O-N 3.44Å; N31-K34 VanDerWaalsContact O-N 3.16Å; N31-K34 WeakPolarHBondContact OD1-CD 3.39Å; N31-K34 WeakPolarHBondContact OD1-CE 3.2Å; N31-K34 PolarHBondContact OD1-NZ 2.96Å; N31-E53 PolarHBondContact N-OE1 2.93Å
32	G	77.1	Confident	67.4	Low	6 Å²	6	93.9 Å²	93.9	6%	0.062	53%	0.532	C	S	.	.	G	3₁₀ helix	trans	-63	-41.1	-171.9	0	0	0	0	0	112.8	K34 E53 H57 C78	G32-K34 PolarHBondContact O-N 2.75Å; G32-E53 WeakPolarHBondContact CA-OE1 3.44Å; G32-E53 PolarHBondContact N-OE1 2.92Å; G32-H57 WeakPolarHBondContact CA-CE1 3.3Å; G32-C78 VanDerWaalsContact O-CB 3.27Å; G32-C78 WeakPolarHBondContact O-CB 3.16Å
33	T	85.2	Confident	69.2	Low	2 Å²	2	91.8 Å²	91.8	1%	0.012	53%	0.529	C	S	.	.	G	3₁₀ helix	trans	-76.1	-5.6	178.8	57.1	0	0	0	0	114.4	N31 A35 C36 R46 L49 E53 L77	N31-T33 PolarHBondContact O-N 2.77Å; T33-A35 VanDerWaalsContact C-N 3.3Å; T33-A35 PolarHBondContact O-N 2.94Å; T33-C36 PolarHBondContact O-N 3.45Å; T33-R46 PolarHBondContact O-NH1 2.8Å; T33-R46 PolarHBondContact O-NH2 2.82Å; T33-L49 HydrophobicContact CG2-CD1 4.41Å; T33-L49 HydrophobicContact CG2-CG 3.98Å; T33-L49 VanDerWaalsContact CG2-O 3.31Å; T33-L49 WeakPolarHBondContact CG2-O 3.5Å; T33-L49 WeakPolarHBondContact O-CD2 3.48Å; T33-E53 WeakPolarHBondContact CB-OE2 3.32Å; T33-E53 HydrophobicContact CG2-CB 4.41Å; T33-E53 WeakPolarHBondContact CG2-OE2 3.49Å; T33-E53 PolarHBondContact N-OE2 2.65Å; T33-E53 PolarHBondContact OG1-OE2 3.15Å; T33-L77 HydrophobicContact CG2-CD2 4.34Å
34	K	86.1	Confident	71.4	Confident	131 Å²	131	90.3 Å²	90.3	57%	0.57	52%	0.519	S	S	*	.	G	3₁₀ helix	trans	-72.1	-22.5	177.9	-67.5	-174.1	176.3	173.4	0	113.5	N31 G32 C36	N31-K34 HydrophobicContact CB-CD 4.11Å; N31-K34 WeakPolarHBondContact O-CB 3.26Å; N31-K34 PolarHBondContact O-N 3.44Å; N31-K34 VanDerWaalsContact O-N 3.16Å; N31-K34 WeakPolarHBondContact OD1-CD 3.39Å; N31-K34 WeakPolarHBondContact OD1-CE 3.2Å; N31-K34 PolarHBondContact OD1-NZ 2.96Å; G32-K34 PolarHBondContact O-N 2.75Å; K34-C36 VanDerWaalsContact C-N 3.3Å
35	A	87.8	Confident	73.5	Confident	43 Å²	43	80.9 Å²	80.9	36%	0.355	49%	0.485	S	S	.	.	S	Bend	trans	-71.1	-26.9	177.4	0	0	0	0	0	112.6	T33 K37 C78 Y106	T33-A35 VanDerWaalsContact C-N 3.3Å; T33-A35 PolarHBondContact O-N 2.94Å; A35-K37 PolarHBondContact O-N 2.82Å; A35-C78 HydrophobicContact CB-CB 4.31Å; A35-C78 WeakPolarHBondContact CB-O 3.49Å; A35-Y106 HydrophobicContact CB-CE2 4.22Å; A35-Y106 WeakPolarHBondContact O-CD2 3.31Å
36	C	91	Very high	75.6	Confident	3 Å²	3	76.6 Å²	76.6	2%	0.02	46%	0.458	C	S	.	.	P	Polyproline II helix	trans	-68.7	127.5	172.2	-78.7	0	0	0	0	111.1	T33 K34 L49 C78 Y106 Y122	T33-C36 PolarHBondContact O-N 3.45Å; K34-C36 VanDerWaalsContact C-N 3.3Å; C36-L49 HydrophobicContact CB-CD2 3.76Å; C36-C78 HydrophobicContact CB-CB 3.93Å; C36-C78 WeakPolarHBondContact CB-SG 3.41Å; C36-C78 WeakPolarHBondContact SG-CA 3.36Å; C36-C78 WeakPolarHBondContact SG-CB 3.47Å; C36-C78 CovalentContact SG-SG 2.02Å; C36-C78 PolarHBondContact SG-SG 2.79Å; C36-Y106 VanDerWaalsContact CA-O 3.3Å; C36-Y106 WeakPolarHBondContact CA-O 3.45Å; C36-Y122 PolarHBondContact SG-OH 2.8Å; C36-Y122 VanDerWaalsContact SG-OH 3.39Å
37	K	91.7	Very high	78	Confident	138 Å²	138	80.6 Å²	80.6	60%	0.6	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-100.7	124.6	172.3	-64.4	179.4	-177.2	176.9	0	109.2	A35 Y106 T107 T109	A35-K37 PolarHBondContact O-N 2.82Å; K37-Y106 PolarHBondContact N-O 2.9Å; K37-T107 WeakPolarHBondContact CB-O 3.49Å; K37-T109 VanDerWaalsContact O-CB 3.31Å; K37-T109 WeakPolarHBondContact O-CB 3.41Å; K37-T109 PolarHBondContact O-N 3.26Å
38	L	90.3	Very high	80.1	Confident	25 Å²	25	75.1 Å²	75.1	13%	0.131	43%	0.425	C	S	.	.	B	Isolated β-bridge	trans	-80.3	133.8	177.5	-64.9	169	0	0	0	109.4	T40 Q45 R46 T109 V111	L38-T40 PolarHBondContact O-N 2.91Å; L38-Q45 HydrophobicContact CD1-CB 3.96Å; L38-Q45 HydrophobicContact CD2-CB 4.22Å; L38-R46 HydrophobicContact CD1-CB 4.19Å; L38-T109 CarbonylContact C-O 3.57Å; L38-T109 VanDerWaalsContact CA-O 3.27Å; L38-T109 WeakPolarHBondContact CA-O 3.36Å; L38-T109 HydrophobicContact CD2-CG2 4.3Å; L38-V111 HydrophobicContact CD2-CG2 3.89Å
39	G	76.4	Confident	82.4	Confident	66 Å²	66	66.1 Å²	66.1	68%	0.68	39%	0.385	S	S	*	.	S	Bend	trans	-59.2	-34.8	178.7	0	0	0	0	0	112.9	T109	G39-T109 PolarHBondContact N-O 3.41Å
40	T	79.3	Confident	84.5	Confident	98 Å²	98	66.9 Å²	66.9	60%	0.601	37%	0.374	S	S	*	.	S	Bend	trans	-125.3	123.7	166.6	29.9	0	0	0	0	108.6	L38 S42 Q45	L38-T40 PolarHBondContact O-N 2.91Å; T40-S42 VanDerWaalsContact C-N 3.32Å; T40-S42 PolarHBondContact O-N 2.87Å; T40-Q45 PolarHBondContact O-OE1 3.16Å; T40-Q45 VanDerWaalsContact O-OE1 3.12Å
41	E	76.4	Confident	86	Confident	197 Å²	197	69.3 Å²	69.3	92%	0.921	37%	0.374	S	S	*	.			trans	-68.2	90.9	175.9	-80.9	-144.7	160.7	0	0	110.9
42	S	84.8	Confident	86.8	Confident	40 Å²	40	64.1 Å²	64.1	28%	0.28	35%	0.346	S	S	.	.			trans	-105.9	127.6	171.9	178.3	0	0	0	0	110.5	T40 S44 Q45 R46	T40-S42 VanDerWaalsContact C-N 3.32Å; T40-S42 PolarHBondContact O-N 2.87Å; S42-S44 PolarHBondContact O-N 2.94Å; S42-S44 PolarHBondContact OG-N 2.82Å; S42-S44 PolarHBondContact OG-OG 3.43Å; S42-Q45 PolarHBondContact O-N 2.57Å; S42-R46 PolarHBondContact O-N 3.5Å
43	S	85.8	Confident	87.4	Confident	93 Å²	93	64.8 Å²	64.8	65%	0.65	35%	0.348	S	S	*	.	H	α-helix	trans	-61.5	-27.7	177	64.2	0	0	0	0	112.8	K47	S43-K47 WeakPolarHBondContact O-CG 3.4Å; S43-K47 PolarHBondContact O-N 2.86Å
44	S	87.3	Confident	87.5	Confident	71 Å²	71	68.7 Å²	68.7	50%	0.497	37%	0.373	S	S	.	.	H	α-helix	trans	-71.3	-45.9	175.4	60.7	0	0	0	0	111.6	S42 R46 K47 V48	S42-S44 PolarHBondContact O-N 2.94Å; S42-S44 PolarHBondContact OG-N 2.82Å; S42-S44 PolarHBondContact OG-OG 3.43Å; S44-R46 VanDerWaalsContact C-N 3.29Å; S44-R46 PolarHBondContact O-N 2.76Å; S44-K47 PolarHBondContact O-N 3.42Å; S44-V48 WeakPolarHBondContact O-CG2 3.44Å; S44-V48 PolarHBondContact O-N 2.88Å; S44-V48 VanDerWaalsContact O-N 3.08Å
45	Q	90.4	Very high	87.6	Confident	23 Å²	23	62.7 Å²	62.7	11%	0.107	35%	0.347	C	S	.	.	H	α-helix	trans	-62	-39.7	176.9	-65	-173.2	-48	0	0	111.2	L38 T40 S42 K47 V48 L49 V111	L38-Q45 HydrophobicContact CD1-CB 3.96Å; L38-Q45 HydrophobicContact CD2-CB 4.22Å; T40-Q45 PolarHBondContact O-OE1 3.16Å; T40-Q45 VanDerWaalsContact O-OE1 3.12Å; S42-Q45 PolarHBondContact O-N 2.57Å; Q45-K47 PolarHBondContact O-N 2.94Å; Q45-V48 PolarHBondContact O-N 2.78Å; Q45-L49 WeakPolarHBondContact O-CB 3.42Å; Q45-L49 PolarHBondContact O-N 3.45Å; Q45-V111 HydrophobicContact CB-CB 4.48Å; Q45-V111 WeakPolarHBondContact CG-O 3.43Å; Q45-V111 PolarHBondContact NE2-O 3.43Å; Q45-V111 VanDerWaalsContact NE2-O 3.11Å
46	R	91.1	Very high	87.5	Confident	58 Å²	58	61 Å²	61	22%	0.219	33%	0.333	C	S	.	.	H	α-helix	trans	-61.4	-44.8	176.5	-166.3	71.1	-168.7	154.6	19	112.3	T33 L38 S42 S44 V48 L49 E50	T33-R46 PolarHBondContact O-NH1 2.8Å; T33-R46 PolarHBondContact O-NH2 2.82Å; L38-R46 HydrophobicContact CD1-CB 4.19Å; S42-R46 PolarHBondContact O-N 3.5Å; S44-R46 VanDerWaalsContact C-N 3.29Å; S44-R46 PolarHBondContact O-N 2.76Å; R46-V48 VanDerWaalsContact C-N 3.32Å; R46-V48 PolarHBondContact O-N 2.8Å; R46-L49 PolarHBondContact O-N 2.89Å; R46-E50 WeakPolarHBondContact O-CG 3.47Å; R46-E50 PolarHBondContact O-N 2.84Å
47	K	90.3	Very high	87	Confident	145 Å²	145	67.5 Å²	67.5	63%	0.63	36%	0.363	S	S	*	.	H	α-helix	trans	-61.3	-39.1	174.7	-74.5	175.5	-177.9	-179.9	0	112.6	S43 S44 Q45 E50 R51	S43-K47 WeakPolarHBondContact O-CG 3.4Å; S43-K47 PolarHBondContact O-N 2.86Å; S44-K47 PolarHBondContact O-N 3.42Å; Q45-K47 PolarHBondContact O-N 2.94Å; K47-E50 PolarHBondContact O-N 2.89Å; K47-R51 PolarHBondContact O-N 2.82Å
48	V	91.1	Very high	86.6	Confident	22 Å²	22	65.9 Å²	65.9	13%	0.133	35%	0.353	C	S	.	.	H	α-helix	trans	-65.3	-44.2	176.4	178	0	0	0	0	110.3	S44 Q45 R46 E50 R51 V111 V118	S44-V48 WeakPolarHBondContact O-CG2 3.44Å; S44-V48 PolarHBondContact O-N 2.88Å; S44-V48 VanDerWaalsContact O-N 3.08Å; Q45-V48 PolarHBondContact O-N 2.78Å; R46-V48 VanDerWaalsContact C-N 3.32Å; R46-V48 PolarHBondContact O-N 2.8Å; V48-E50 VanDerWaalsContact C-N 3.33Å; V48-E50 PolarHBondContact O-N 3.17Å; V48-R51 VanDerWaalsContact O-CB 3.32Å; V48-R51 WeakPolarHBondContact O-CB 3.42Å; V48-R51 PolarHBondContact O-N 2.88Å; V48-R51 VanDerWaalsContact O-N 3.12Å; V48-V111 HydrophobicContact CB-CG1 3.9Å; V48-V111 HydrophobicContact CG1-CG1 3.44Å; V48-V111 VanDerWaalsContact CG1-CG1 3.44Å; V48-V118 HydrophobicContact CG1-CB 4.32Å; V48-V118 HydrophobicContact CG1-CG1 3.68Å; V48-V118 HydrophobicContact CG1-CG2 3.61Å
49	L	91.3	Very high	86.6	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-62.8	-40.1	178.5	-171.6	68.9	0	0	0	111.8	T33 C36 Q45 R46 R51 L52 L77 V111 L120	T33-L49 HydrophobicContact CG2-CD1 4.41Å; T33-L49 HydrophobicContact CG2-CG 3.98Å; T33-L49 VanDerWaalsContact CG2-O 3.31Å; T33-L49 WeakPolarHBondContact CG2-O 3.5Å; T33-L49 WeakPolarHBondContact O-CD2 3.48Å; C36-L49 HydrophobicContact CB-CD2 3.76Å; Q45-L49 WeakPolarHBondContact O-CB 3.42Å; Q45-L49 PolarHBondContact O-N 3.45Å; R46-L49 PolarHBondContact O-N 2.89Å; L49-R51 PolarHBondContact O-N 3.41Å; L49-L52 HydrophobicContact CD1-CD1 4.36Å; L49-L52 WeakPolarHBondContact O-CA 3.37Å; L49-L52 WeakPolarHBondContact O-CB 3.46Å; L49-L52 PolarHBondContact O-N 2.95Å; L49-L77 HydrophobicContact CD1-CD1 4.39Å; L49-V111 HydrophobicContact CB-CG2 4.4Å; L49-V111 HydrophobicContact CD1-CG2 4.06Å; L49-L120 HydrophobicContact CD1-CD1 4.43Å
50	E	90.2	Very high	87.4	Confident	106 Å²	106	67.2 Å²	67.2	50%	0.495	35%	0.345	S	S	.	.	H	α-helix	trans	-60.9	-26.3	175.2	-74.9	171.9	-177.6	0	0	113.2	R46 K47 V48 L52 E53	R46-E50 WeakPolarHBondContact O-CG 3.47Å; R46-E50 PolarHBondContact O-N 2.84Å; K47-E50 PolarHBondContact O-N 2.89Å; V48-E50 VanDerWaalsContact C-N 3.33Å; V48-E50 PolarHBondContact O-N 3.17Å; E50-L52 PolarHBondContact O-N 2.84Å; E50-E53 VanDerWaalsContact O-CB 3.25Å; E50-E53 WeakPolarHBondContact O-CB 3.35Å; E50-E53 PolarHBondContact O-N 2.93Å
51	R	89.1	Confident	88.1	Confident	80 Å²	80	66.4 Å²	66.4	30%	0.302	34%	0.343	S	S	.	.	H	α-helix	trans	-66	-26.9	172	-65.3	169.4	63.8	-176.4	1.5	112.3	K47 V48 L49 E53 P54 G114 S115 V178	K47-R51 PolarHBondContact O-N 2.82Å; V48-R51 VanDerWaalsContact O-CB 3.32Å; V48-R51 WeakPolarHBondContact O-CB 3.42Å; V48-R51 PolarHBondContact O-N 2.88Å; V48-R51 VanDerWaalsContact O-N 3.12Å; L49-R51 PolarHBondContact O-N 3.41Å; R51-E53 VanDerWaalsContact C-N 3.28Å; R51-P54 VanDerWaalsContact O-CD 3.29Å; R51-P54 WeakPolarHBondContact O-CD 3.37Å; R51-G114 PolarHBondContact NH1-O 3.24Å; R51-S115 PolarHBondContact NH2-O 2.93Å; R51-V178 PolarHBondContact NH2-O 3.11Å
52	L	90.4	Very high	88.9	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-1	179.4	-55.7	-179.7	0	0	0	112.9	L49 E50 P54 L55 L77 V118 I143 V178	L49-L52 HydrophobicContact CD1-CD1 4.36Å; L49-L52 WeakPolarHBondContact O-CA 3.37Å; L49-L52 WeakPolarHBondContact O-CB 3.46Å; L49-L52 PolarHBondContact O-N 2.95Å; E50-L52 PolarHBondContact O-N 2.84Å; L52-P54 VanDerWaalsContact C-N 3.27Å; L52-P54 VanDerWaalsContact O-N 3.14Å; L52-L55 HydrophobicContact CD2-CD1 4.21Å; L52-L55 WeakPolarHBondContact O-CA 3.37Å; L52-L55 WeakPolarHBondContact O-CB 3.28Å; L52-L55 PolarHBondContact O-N 2.85Å; L52-L77 HydrophobicContact CB-CD2 3.55Å; L52-L77 HydrophobicContact CD1-CD1 4.14Å; L52-L77 WeakPolarHBondContact O-CD2 3.37Å; L52-V118 HydrophobicContact CD1-CG1 3.95Å; L52-V118 HydrophobicContact CD2-CB 4.35Å; L52-V118 HydrophobicContact CD2-CG1 4.45Å; L52-V118 HydrophobicContact CD2-CG2 4.36Å; L52-I143 HydrophobicContact CD1-CD1 3.82Å; L52-I143 HydrophobicContact CD2-CD1 3.84Å; L52-I143 HydrophobicContact CG-CD1 4.48Å; L52-V178 HydrophobicContact CD2-CG2 3.38Å
53	E	89.2	Confident	89.4	Confident	20 Å²	20	63 Å²	63	9%	0.093	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-49.6	-38.1	179.1	-167.4	65	-149.1	0	0	114.3	G30 N31 G32 T33 E50 R51 L55 A56	G30-E53 VanDerWaalsContact C-CD 3.44Å; G30-E53 WeakPolarHBondContact CA-OE1 3.47Å; G30-E53 VanDerWaalsContact O-CD 3.26Å; G30-E53 VanDerWaalsContact O-OE1 3.11Å; N31-E53 PolarHBondContact N-OE1 2.93Å; G32-E53 WeakPolarHBondContact CA-OE1 3.44Å; G32-E53 PolarHBondContact N-OE1 2.92Å; T33-E53 WeakPolarHBondContact CB-OE2 3.32Å; T33-E53 HydrophobicContact CG2-CB 4.41Å; T33-E53 WeakPolarHBondContact CG2-OE2 3.49Å; T33-E53 PolarHBondContact N-OE2 2.65Å; T33-E53 PolarHBondContact OG1-OE2 3.15Å; E50-E53 VanDerWaalsContact O-CB 3.25Å; E50-E53 WeakPolarHBondContact O-CB 3.35Å; E50-E53 PolarHBondContact O-N 2.93Å; R51-E53 VanDerWaalsContact C-N 3.28Å; E53-L55 PolarHBondContact O-N 2.94Å; E53-L55 VanDerWaalsContact O-N 3.17Å; E53-A56 VanDerWaalsContact O-CB 3.27Å; E53-A56 WeakPolarHBondContact O-CB 3.39Å; E53-A56 PolarHBondContact O-N 2.9Å
54	P	88	Confident	89.6	Confident	83 Å²	83	60.4 Å²	60.4	54%	0.539	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-62.7	-21.2	175.9	-22.8	35.1	0	0	0	114.7	R51 L52 A177	R51-P54 VanDerWaalsContact O-CD 3.29Å; R51-P54 WeakPolarHBondContact O-CD 3.37Å; L52-P54 VanDerWaalsContact C-N 3.27Å; L52-P54 VanDerWaalsContact O-N 3.14Å; P54-A177 HydrophobicContact CB-CB 3.99Å; P54-A177 HydrophobicContact CG-CB 3.95Å
55	L	88	Confident	89.7	Confident	6 Å²	6	61.4 Å²	61.4	3%	0.031	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-88.6	-10.8	176.3	-66.3	174.9	0	0	0	112.9	L52 E53 L77 I143 A151 L173 S175 A177	L52-L55 HydrophobicContact CD2-CD1 4.21Å; L52-L55 WeakPolarHBondContact O-CA 3.37Å; L52-L55 WeakPolarHBondContact O-CB 3.28Å; L52-L55 PolarHBondContact O-N 2.85Å; E53-L55 PolarHBondContact O-N 2.94Å; E53-L55 VanDerWaalsContact O-N 3.17Å; L55-L77 HydrophobicContact CB-CD2 3.96Å; L55-I143 HydrophobicContact CD1-CD1 4.36Å; L55-I143 HydrophobicContact CD1-CG2 4.18Å; L55-A151 HydrophobicContact CD2-CB 3.76Å; L55-L173 HydrophobicContact CD1-CD2 4.35Å; L55-S175 WeakPolarHBondContact CD2-OG 3.09Å; L55-A177 HydrophobicContact CG-CB 4.27Å
56	A	86.5	Confident	89.2	Confident	8 Å²	8	62.7 Å²	62.7	7%	0.066	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	155	-179.8	0	0	0	0	0	111.6	E53 R58 L77	E53-A56 VanDerWaalsContact O-CB 3.27Å; E53-A56 WeakPolarHBondContact O-CB 3.39Å; E53-A56 PolarHBondContact O-N 2.9Å; A56-R58 PolarHBondContact O-N 2.82Å; A56-L77 HydrophobicContact CB-CD2 4.33Å
57	H	79.3	Confident	88.4	Confident	139 Å²	139	68.2 Å²	68.2	64%	0.644	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.9	13	179.2	-41.7	91.7	0	0	0	115.8	G32	G32-H57 WeakPolarHBondContact CA-CE1 3.3Å
58	R	84.6	Confident	87.8	Confident	104 Å²	104	71.1 Å²	71.1	39%	0.392	36%	0.355	S	S	.	.			trans	-107.1	136.5	172.3	-62.1	-174.7	-178.1	-169.1	2.6	110.1	A56 E150	A56-R58 PolarHBondContact O-N 2.82Å; R58-E150 IonicContact NH1-OE2 3.81Å; R58-E150 IonicContact NH2-OE2 3.23Å; R58-E150 PolarHBondContact NH2-OE2 3.27Å
59	N	89.9	Confident	87.5	Confident	92 Å²	92	73.6 Å²	73.6	49%	0.492	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	120.4	170.9	-70	-1.6	0	0	0	108.3	V74 Q76	N59-V74 HydrophobicContact CB-CG1 4.49Å; N59-Q76 WeakPolarHBondContact OD1-CG 3.41Å; N59-Q76 PolarHBondContact OD1-OE1 2.86Å
60	L	92.8	Very high	87.6	Confident	27 Å²	27	78.3 Å²	78.3	14%	0.141	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	126.5	175.8	-64	169.6	0	0	0	107.5	V74 F75 A151 F154 L173	L60-V74 CarbonylContact O-C 3.56Å; L60-V74 WeakPolarHBondContact O-CA 3.37Å; L60-F75 HydrophobicContact CB-CD1 4.28Å; L60-F75 HydrophobicContact CD1-CD1 3.78Å; L60-F75 HydrophobicContact CD1-CE1 4.06Å; L60-F75 PolarHBondContact N-O 2.89Å; L60-F75 PolarHBondContact O-N 2.97Å; L60-A151 HydrophobicContact CD2-CB 4.41Å; L60-F154 HydrophobicContact CB-CB 3.89Å; L60-F154 HydrophobicContact CB-CD1 4.49Å; L60-F154 HydrophobicContact CB-CG 4.15Å; L60-L173 HydrophobicContact CD1-CD1 3.69Å; L60-L173 HydrophobicContact CD1-CD2 3.53Å; L60-L173 HydrophobicContact CD1-CG 4.27Å
61	S	93.1	Very high	87.7	Confident	81 Å²	81	75.4 Å²	75.4	57%	0.566	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.9	141.2	-176.4	58.2	0	0	0	0	111.4	Y73	S61-Y73 CarbonylContact C-O 3.57Å; S61-Y73 WeakPolarHBondContact CA-O 3.27Å
62	V	94.6	Very high	87.9	Confident	29 Å²	29	72.6 Å²	72.6	18%	0.176	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	137.8	175.8	61.7	0	0	0	0	109.9	V64 T72 Y73 F154 V156	V62-V64 HydrophobicContact CG2-CG2 4.38Å; V62-T72 CarbonylContact O-C 3.59Å; V62-T72 WeakPolarHBondContact O-CA 3.46Å; V62-Y73 HydrophobicContact CG1-CD2 4.45Å; V62-Y73 PolarHBondContact N-O 3.11Å; V62-Y73 PolarHBondContact O-N 3.3Å; V62-F154 HydrophobicContact CB-CD1 4.14Å; V62-F154 VanDerWaalsContact CB-O 3.27Å; V62-F154 WeakPolarHBondContact CB-O 3.41Å; V62-F154 HydrophobicContact CG1-CD1 3.58Å; V62-F154 HydrophobicContact CG1-CE1 3.81Å; V62-F154 WeakPolarHBondContact CG2-O 3.18Å; V62-V156 HydrophobicContact CG1-CG2 3.54Å
63	E	93.6	Very high	88.2	Confident	136 Å²	136	72.6 Å²	72.6	64%	0.636	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.7	126	176.2	-64	-175.1	-178.7	0	0	109.5	Y71 T72 I94	E63-Y71 CarbonylContact C-O 3.59Å; E63-Y71 WeakPolarHBondContact CA-O 3.38Å; E63-T72 HydrophobicContact CG-CG2 4.27Å; E63-I94 HydrophobicContact CB-CD1 4.49Å; E63-I94 HydrophobicContact CG-CD1 4.02Å
64	V	91.6	Very high	88.5	Confident	39 Å²	39	72.5 Å²	72.5	24%	0.236	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	138.4	177.7	-176.1	0	0	0	0	108.3	V62 E66 Y71 Y73 V156	V62-V64 HydrophobicContact CG2-CG2 4.38Å; V64-E66 HydrophobicContact CG1-CG 4.24Å; V64-Y71 PolarHBondContact N-O 3.45Å; V64-Y71 PolarHBondContact O-N 2.83Å; V64-Y73 HydrophobicContact CB-CD2 4.45Å; V64-Y73 HydrophobicContact CB-CE2 4.07Å; V64-Y73 HydrophobicContact CG2-CD2 4.06Å; V64-Y73 HydrophobicContact CG2-CE2 4.02Å; V64-V156 HydrophobicContact CG2-CB 4.14Å; V64-V156 HydrophobicContact CG2-CG2 3.71Å
65	T	87.8	Confident	88.8	Confident	92 Å²	92	68.7 Å²	68.7	56%	0.564	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.3	111.1	174.5	-54.6	0	0	0	0	108.9	E69 K70	T65-E69 CarbonylContact C-O 3.53Å; T65-E69 WeakPolarHBondContact CA-O 3.26Å; T65-K70 HydrophobicContact CG2-CG 4.2Å
66	E	80.3	Confident	89.1	Confident	49 Å²	49	69.8 Å²	69.8	23%	0.229	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	124.9	175.8	-77.2	-179.7	-147.4	0	0	109.4	V64 K68 E69 Y71 R161	V64-E66 HydrophobicContact CG1-CG 4.24Å; E66-K68 PolarHBondContact O-N 2.78Å; E66-E69 PolarHBondContact N-O 2.89Å; E66-E69 WeakPolarHBondContact O-CA 3.45Å; E66-E69 PolarHBondContact O-N 3.32Å; E66-E69 VanDerWaalsContact O-O 3.08Å; E66-Y71 HydrophobicContact CB-CD2 4.31Å; E66-Y71 HydrophobicContact CB-CE2 4.35Å; E66-R161 IonicContact OE2-NH1 3.75Å
67	E	74.7	Confident	89.5	Confident	175 Å²	175	69.6 Å²	69.6	82%	0.818	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	35.4	170.4	-57.5	-171.2	172.7	0	0	115.8	E69	E67-E69 VanDerWaalsContact C-N 3.35Å
68	K	76.9	Confident	90.2	Very high	205 Å²	205	63.3 Å²	63.3	89%	0.891	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	-2.3	-176.8	-51.3	169.7	-178.8	171	0	115.6	E66	E66-K68 PolarHBondContact O-N 2.78Å
69	E	86.1	Confident	90.5	Very high	75 Å²	75	58.9 Å²	58.9	35%	0.35	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	143.1	172.7	-52.2	-157.7	142	0	0	110.2	T65 E66 E67 Y71 K93	T65-E69 CarbonylContact C-O 3.53Å; T65-E69 WeakPolarHBondContact CA-O 3.26Å; E66-E69 PolarHBondContact N-O 2.89Å; E66-E69 WeakPolarHBondContact O-CA 3.45Å; E66-E69 PolarHBondContact O-N 3.32Å; E66-E69 VanDerWaalsContact O-O 3.08Å; E67-E69 VanDerWaalsContact C-N 3.35Å; E69-Y71 HydrophobicContact CB-CE2 3.79Å; E69-Y71 PolarHBondContact OE2-OH 2.81Å; E69-K93 IonicContact OE1-NZ 3.44Å; E69-K93 PolarHBondContact OE1-NZ 2.88Å; E69-K93 WeakPolarHBondContact OE2-CE 3.32Å; E69-K93 IonicContact OE2-NZ 3.32Å; E69-K93 PolarHBondContact OE2-NZ 3.12Å
70	K	92.3	Very high	90.7	Very high	99 Å²	99	57.5 Å²	57.5	43%	0.43	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	123.6	178.9	-63.3	-176.2	176.4	-177.2	0	110.4	T65 I94	T65-K70 HydrophobicContact CG2-CG 4.2Å; K70-I94 HydrophobicContact CB-CB 4.14Å; K70-I94 HydrophobicContact CB-CD1 3.75Å; K70-I94 HydrophobicContact CB-CG1 4.08Å; K70-I94 HydrophobicContact CD-CD1 4.41Å; K70-I94 PolarHBondContact O-N 2.96Å
71	Y	92.1	Very high	90.8	Very high	44 Å²	44	56.2 Å²	56.2	17%	0.173	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	135.1	177.1	-65	-77.7	0	0	0	110.2	E63 V64 E66 E69 Q91 K92 K93	E63-Y71 CarbonylContact C-O 3.59Å; E63-Y71 WeakPolarHBondContact CA-O 3.38Å; V64-Y71 PolarHBondContact N-O 3.45Å; V64-Y71 PolarHBondContact O-N 2.83Å; E66-Y71 HydrophobicContact CB-CD2 4.31Å; E66-Y71 HydrophobicContact CB-CE2 4.35Å; E69-Y71 HydrophobicContact CB-CE2 3.79Å; E69-Y71 PolarHBondContact OE2-OH 2.81Å; Y71-Q91 HydrophobicContact CD1-CG 3.91Å; Y71-Q91 HydrophobicContact CG-CG 4.38Å; Y71-K92 CarbonylContact C-O 3.59Å; Y71-K92 WeakPolarHBondContact CA-O 3.1Å; Y71-K93 HydrophobicContact CD1-CB 4.18Å; Y71-K93 HydrophobicContact CE1-CB 4.05Å; Y71-K93 HydrophobicContact CE1-CD 4.33Å; Y71-K93 HydrophobicContact CE1-CG 4.25Å
72	T	94.4	Very high	90.6	Very high	22 Å²	22	54.6 Å²	54.6	14%	0.135	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	121.2	167.6	-51.9	0	0	0	0	108.4	V62 E63 V74 K92 I94	V62-T72 CarbonylContact O-C 3.59Å; V62-T72 WeakPolarHBondContact O-CA 3.46Å; E63-T72 HydrophobicContact CG-CG2 4.27Å; T72-V74 HydrophobicContact CG2-CG2 3.99Å; T72-K92 PolarHBondContact N-O 3.24Å; T72-K92 PolarHBondContact O-N 3.19Å; T72-I94 WeakPolarHBondContact OG1-CD1 3.47Å; T72-I94 WeakPolarHBondContact OG1-CG1 3.33Å
73	Y	95.6	Very high	90.4	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	130.9	169.6	-63.7	-92.1	0	0	0	108.3	S61 V62 V64 I90 Q91 I103 V156 Y169 F171	S61-Y73 CarbonylContact C-O 3.57Å; S61-Y73 WeakPolarHBondContact CA-O 3.27Å; V62-Y73 HydrophobicContact CG1-CD2 4.45Å; V62-Y73 PolarHBondContact N-O 3.11Å; V62-Y73 PolarHBondContact O-N 3.3Å; V64-Y73 HydrophobicContact CB-CD2 4.45Å; V64-Y73 HydrophobicContact CB-CE2 4.07Å; V64-Y73 HydrophobicContact CG2-CD2 4.06Å; V64-Y73 HydrophobicContact CG2-CE2 4.02Å; Y73-I90 WeakPolarHBondContact CA-O 3.29Å; Y73-Q91 HydrophobicContact CD1-CB 4.15Å; Y73-Q91 HydrophobicContact CD1-CG 4.13Å; Y73-Q91 HydrophobicContact CE1-CB 4Å; Y73-Q91 HydrophobicContact CE1-CG 3.66Å; Y73-Q91 PolarHBondContact OH-NE2 2.87Å; Y73-I103 HydrophobicContact CD1-CD1 3.58Å; Y73-I103 HydrophobicContact CE1-CD1 3.7Å; Y73-V156 HydrophobicContact CD2-CG2 3.6Å; Y73-V156 HydrophobicContact CE2-CG2 4Å; Y73-V156 HydrophobicContact CG-CG2 3.9Å; Y73-Y169 HydrophobicContact CE1-CD1 4.33Å; Y73-Y169 HydrophobicContact CE1-CE1 4.32Å; Y73-F171 AromaticContact CD1-CE1 3.89Å; Y73-F171 HydrophobicContact CD1-CE1 3.89Å; Y73-F171 HydrophobicContact CD1-CZ 4.04Å; Y73-F171 HydrophobicContact CG-CE1 4.18Å
74	V	95.5	Very high	90.4	Very high	18 Å²	18	50.7 Å²	50.7	11%	0.109	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	124.6	178.1	-173.8	0	0	0	0	108.6	N59 L60 T72 A81 V89 I90	N59-V74 HydrophobicContact CB-CG1 4.49Å; L60-V74 CarbonylContact O-C 3.56Å; L60-V74 WeakPolarHBondContact O-CA 3.37Å; T72-V74 HydrophobicContact CG2-CG2 3.99Å; V74-A81 HydrophobicContact CG1-CB 4.43Å; V74-V89 WeakPolarHBondContact O-CA 3.48Å; V74-I90 HydrophobicContact CB-CD1 4.3Å; V74-I90 HydrophobicContact CB-CG1 3.8Å; V74-I90 HydrophobicContact CG2-CD1 4.5Å; V74-I90 HydrophobicContact CG2-CG1 4.35Å; V74-I90 PolarHBondContact N-O 2.86Å; V74-I90 PolarHBondContact O-N 3.43Å
75	F	95.8	Very high	90.5	Very high	3 Å²	3	53 Å²	53	1%	0.013	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	136.8	175	166.1	-120	0	0	0	110.1	L60 L77 G88 V89 L120 Y122 I141 F154 L173	L60-F75 HydrophobicContact CB-CD1 4.28Å; L60-F75 HydrophobicContact CD1-CD1 3.78Å; L60-F75 HydrophobicContact CD1-CE1 4.06Å; L60-F75 PolarHBondContact N-O 2.89Å; L60-F75 PolarHBondContact O-N 2.97Å; F75-L77 HydrophobicContact CZ-CB 4.1Å; F75-L77 HydrophobicContact CZ-CD1 4.34Å; F75-G88 WeakPolarHBondContact CA-O 3.44Å; F75-G88 WeakPolarHBondContact CD2-O 3.2Å; F75-V89 HydrophobicContact CB-CG2 4.18Å; F75-V89 HydrophobicContact CD2-CG2 3.61Å; F75-V89 HydrophobicContact CE2-CG2 4.49Å; F75-V89 HydrophobicContact CG-CG2 4.31Å; F75-L120 HydrophobicContact CE2-CD2 3.97Å; F75-L120 HydrophobicContact CZ-CD2 3.93Å; F75-Y122 HydrophobicContact CD2-CE2 4.33Å; F75-Y122 AromaticContact CE2-CE2 3.82Å; F75-Y122 HydrophobicContact CE2-CE2 3.82Å; F75-I141 HydrophobicContact CD2-CG1 4.3Å; F75-I141 HydrophobicContact CE1-CG2 4.34Å; F75-I141 HydrophobicContact CE2-CD1 4.31Å; F75-I141 HydrophobicContact CE2-CG1 4.17Å; F75-I141 HydrophobicContact CZ-CG2 4.35Å; F75-F154 HydrophobicContact CB-CD1 4.36Å; F75-F154 HydrophobicContact CB-CD2 4.28Å; F75-F154 HydrophobicContact CB-CE1 3.8Å; F75-F154 HydrophobicContact CB-CE2 3.69Å; F75-F154 HydrophobicContact CB-CZ 3.43Å; F75-F154 VanDerWaalsContact CB-CZ 3.43Å; F75-F154 HydrophobicContact CD1-CD2 4.12Å; F75-F154 AromaticContact CD1-CE2 3.95Å; F75-F154 HydrophobicContact CD1-CE2 3.95Å; F75-F154 AromaticContact CG-CE2 3.97Å; F75-F154 HydrophobicContact CG-CE2 3.97Å; F75-F154 HydrophobicContact CG-CZ 4.18Å; F75-L173 HydrophobicContact CD1-CD2 4.45Å; F75-L173 HydrophobicContact CE1-CD2 3.92Å
76	Q	94.3	Very high	90.7	Very high	29 Å²	29	52.7 Å²	52.7	14%	0.136	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	124.7	169.8	-174.4	174.4	1.9	0	0	109.5	N59 C78 D80 A81 G88	N59-Q76 WeakPolarHBondContact OD1-CG 3.41Å; N59-Q76 PolarHBondContact OD1-OE1 2.86Å; Q76-C78 PolarHBondContact O-N 2.75Å; Q76-D80 PolarHBondContact OE1-O 2.83Å; Q76-A81 HydrophobicContact CB-CB 3.98Å; Q76-G88 PolarHBondContact N-O 3.27Å
77	L	94.3	Very high	91.4	Very high	3 Å²	3	50.3 Å²	50.3	2%	0.016	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	116.6	177.9	-179.3	71.9	0	0	0	110.2	T33 L49 L52 L55 A56 F75 G79 L120	T33-L77 HydrophobicContact CG2-CD2 4.34Å; L49-L77 HydrophobicContact CD1-CD1 4.39Å; L52-L77 HydrophobicContact CB-CD2 3.55Å; L52-L77 HydrophobicContact CD1-CD1 4.14Å; L52-L77 WeakPolarHBondContact O-CD2 3.37Å; L55-L77 HydrophobicContact CB-CD2 3.96Å; A56-L77 HydrophobicContact CB-CD2 4.33Å; F75-L77 HydrophobicContact CZ-CB 4.1Å; F75-L77 HydrophobicContact CZ-CD1 4.34Å; L77-G79 PolarHBondContact O-N 3.17Å; L77-L120 HydrophobicContact CD1-CD2 3.62Å
78	C	93.4	Very high	92.4	Very high	8 Å²	8	42 Å²	42	5%	0.054	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	35.9	176.9	-52.1	0	0	0	0	113.9	G32 A35 C36 Q76 Y122	G32-C78 VanDerWaalsContact O-CB 3.27Å; G32-C78 WeakPolarHBondContact O-CB 3.16Å; A35-C78 HydrophobicContact CB-CB 4.31Å; A35-C78 WeakPolarHBondContact CB-O 3.49Å; C36-C78 HydrophobicContact CB-CB 3.93Å; C36-C78 WeakPolarHBondContact CB-SG 3.41Å; C36-C78 WeakPolarHBondContact SG-CA 3.36Å; C36-C78 WeakPolarHBondContact SG-CB 3.47Å; C36-C78 CovalentContact SG-SG 2.02Å; C36-C78 PolarHBondContact SG-SG 2.79Å; Q76-C78 PolarHBondContact O-N 2.75Å; C78-Y122 PolarHBondContact N-OH 2.74Å; C78-Y122 VanDerWaalsContact N-OH 3.09Å
79	G	92.6	Very high	93.3	Very high	11 Å²	11	32.2 Å²	32.2	11%	0.113	20%	0.197	C	C	.	.	S	Bend	trans	-149.5	171.7	179.7	0	0	0	0	0	112	L77 A81 Y106	L77-G79 PolarHBondContact O-N 3.17Å; G79-A81 PolarHBondContact O-N 3.19Å; G79-Y106 VanDerWaalsContact C-CE1 3.41Å; G79-Y106 VanDerWaalsContact O-CD1 3.24Å; G79-Y106 WeakPolarHBondContact O-CD1 3.48Å; G79-Y106 VanDerWaalsContact O-CE1 3.25Å; G79-Y106 WeakPolarHBondContact O-CE1 3.44Å
80	D	94.1	Very high	93.8	Very high	62 Å²	62	28.9 Å²	28.9	33%	0.332	18%	0.181	S	C	.	.			trans	-76.6	88.6	-174.9	-65.5	-26.7	0	0	0	111.7	Q76 G82 G83 V84 P85 N86 Y106	Q76-D80 PolarHBondContact OE1-O 2.83Å; D80-G82 PolarHBondContact O-N 2.72Å; D80-G83 WeakPolarHBondContact O-CA 3.34Å; D80-G83 PolarHBondContact O-N 2.81Å; D80-V84 WeakPolarHBondContact CA-O 3.34Å; D80-V84 VanDerWaalsContact CB-O 3.31Å; D80-V84 WeakPolarHBondContact CB-O 3.48Å; D80-P85 WeakPolarHBondContact OD1-CA 3.27Å; D80-N86 PolarHBondContact OD1-N 2.84Å; D80-Y106 VanDerWaalsContact OD1-CE1 3.28Å; D80-Y106 WeakPolarHBondContact OD1-CE1 3.48Å; D80-Y106 PolarHBondContact OD1-OH 3.21Å
81	A	93.6	Very high	93.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-56.4	124.8	-178.9	0	0	0	0	0	111	V74 Q76 G79 G83 V84 A87 G88 I90	V74-A81 HydrophobicContact CG1-CB 4.43Å; Q76-A81 HydrophobicContact CB-CB 3.98Å; G79-A81 PolarHBondContact O-N 3.19Å; A81-G83 PolarHBondContact O-N 3.11Å; A81-G83 VanDerWaalsContact O-N 3.12Å; A81-V84 PolarHBondContact O-N 2.61Å; A81-V84 VanDerWaalsContact O-N 3.09Å; A81-A87 WeakPolarHBondContact CB-O 3.21Å; A81-A87 PolarHBondContact N-O 3.21Å; A81-G88 WeakPolarHBondContact CB-O 3.3Å; A81-I90 HydrophobicContact CB-CG1 4.32Å; A81-I90 HydrophobicContact CB-CG2 4.43Å; A81-I90 WeakPolarHBondContact O-CD1 3.31Å
82	G	89.3	Confident	94	Very high	48 Å²	48	28 Å²	28	50%	0.495	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	59.9	19.2	-176.3	0	0	0	0	0	114.6	D80 V84	D80-G82 PolarHBondContact O-N 2.72Å; G82-V84 VanDerWaalsContact C-N 3.32Å
83	G	90.5	Very high	93.9	Very high	60 Å²	60	30 Å²	30	62%	0.619	19%	0.186	S	C	*	.	G	3₁₀ helix	trans	78.2	12.1	-176.8	0	0	0	0	0	114.4	D80 A81	D80-G83 WeakPolarHBondContact O-CA 3.34Å; D80-G83 PolarHBondContact O-N 2.81Å; A81-G83 PolarHBondContact O-N 3.11Å; A81-G83 VanDerWaalsContact O-N 3.12Å
84	V	92.6	Very high	93.5	Very high	22 Å²	22	33 Å²	33	13%	0.133	20%	0.2	C	C	.	.			trans	-87	121.1	177.3	-178.3	0	0	0	0	109.2	D80 A81 G82 N86 A87 I90 P100 I102	D80-V84 WeakPolarHBondContact CA-O 3.34Å; D80-V84 VanDerWaalsContact CB-O 3.31Å; D80-V84 WeakPolarHBondContact CB-O 3.48Å; A81-V84 PolarHBondContact O-N 2.61Å; A81-V84 VanDerWaalsContact O-N 3.09Å; G82-V84 VanDerWaalsContact C-N 3.32Å; V84-N86 PolarHBondContact O-N 2.76Å; V84-A87 HydrophobicContact CB-CB 3.89Å; V84-A87 HydrophobicContact CG1-CB 3.75Å; V84-A87 PolarHBondContact O-N 3.09Å; V84-I90 HydrophobicContact CB-CG2 4.19Å; V84-I90 HydrophobicContact CG2-CD1 4.09Å; V84-I90 HydrophobicContact CG2-CG2 4.21Å; V84-P100 HydrophobicContact CG2-CB 4.43Å; V84-P100 HydrophobicContact CG2-CG 3.47Å; V84-P100 VanDerWaalsContact CG2-CG 3.47Å; V84-I102 HydrophobicContact CG1-CD1 4.03Å; V84-I102 HydrophobicContact CG1-CG1 4.19Å
85	P	93.5	Very high	92.9	Very high	87 Å²	87	38.3 Å²	38.3	57%	0.565	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	134.7	-173.8	26.1	-34.6	0	0	0	111.5	D80 A87	D80-P85 WeakPolarHBondContact OD1-CA 3.27Å; P85-A87 PolarHBondContact O-N 2.84Å
86	N	93.6	Very high	92.1	Very high	86 Å²	86	39.6 Å²	39.6	46%	0.46	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.5	6.2	-180	-53.3	-64.5	0	0	0	115.4	D80 V84 S105 Y106 T107	D80-N86 PolarHBondContact OD1-N 2.84Å; V84-N86 PolarHBondContact O-N 2.76Å; N86-S105 VanDerWaalsContact O-CA 3.29Å; N86-S105 WeakPolarHBondContact O-CA 3.46Å; N86-S105 VanDerWaalsContact O-CB 3.28Å; N86-S105 WeakPolarHBondContact O-CB 3.18Å; N86-S105 PolarHBondContact O-OG 3.01Å; N86-Y106 VanDerWaalsContact C-CE1 3.41Å; N86-T107 HydrophobicContact CB-CG2 3.88Å; N86-T107 WeakPolarHBondContact OD1-CG2 3.44Å
87	A	95.4	Very high	91.5	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	122.7	178.7	0	0	0	0	0	110.5	A81 V84 P85 I90 I102	A81-A87 WeakPolarHBondContact CB-O 3.21Å; A81-A87 PolarHBondContact N-O 3.21Å; V84-A87 HydrophobicContact CB-CB 3.89Å; V84-A87 HydrophobicContact CG1-CB 3.75Å; V84-A87 PolarHBondContact O-N 3.09Å; P85-A87 PolarHBondContact O-N 2.84Å; A87-I90 HydrophobicContact CB-CG2 3.57Å; A87-I102 HydrophobicContact CB-CD1 4.31Å; A87-I102 HydrophobicContact CB-CG1 4.12Å; A87-I102 HydrophobicContact CB-CG2 3.93Å
88	G	94.5	Very high	91.1	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	-29.3	176.5	0	0	0	0	0	112.9	F75 Q76 A81 G104	F75-G88 WeakPolarHBondContact CA-O 3.44Å; F75-G88 WeakPolarHBondContact CD2-O 3.2Å; Q76-G88 PolarHBondContact N-O 3.27Å; A81-G88 WeakPolarHBondContact CB-O 3.3Å; G88-G104 PolarHBondContact N-O 3.16Å
89	V	96.8	Very high	90.9	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	132.5	171.6	-177.1	0	0	0	0	109.5	V74 F75 I103 G104 Y122 A139 I141 F171	V74-V89 WeakPolarHBondContact O-CA 3.48Å; F75-V89 HydrophobicContact CB-CG2 4.18Å; F75-V89 HydrophobicContact CD2-CG2 3.61Å; F75-V89 HydrophobicContact CE2-CG2 4.49Å; F75-V89 HydrophobicContact CG-CG2 4.31Å; V89-I103 HydrophobicContact CB-CB 4.23Å; V89-I103 HydrophobicContact CG1-CB 4.04Å; V89-I103 HydrophobicContact CG1-CD1 3.79Å; V89-I103 HydrophobicContact CG1-CG1 4.24Å; V89-I103 PolarHBondContact O-N 2.9Å; V89-G104 PolarHBondContact N-O 3.24Å; V89-G104 PolarHBondContact O-N 2.72Å; V89-Y122 HydrophobicContact CG2-CD2 4.14Å; V89-A139 HydrophobicContact CB-CB 4.15Å; V89-A139 HydrophobicContact CG2-CB 3.97Å; V89-I141 HydrophobicContact CG2-CD1 4.08Å; V89-I141 HydrophobicContact CG2-CG1 4.45Å; V89-F171 HydrophobicContact CG1-CE2 4.01Å; V89-F171 HydrophobicContact CG1-CZ 3.92Å
90	I	96.1	Very high	91	Very high	4 Å²	4	61.7 Å²	61.7	2%	0.021	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	153.7	174.5	63.2	163.5	0	0	0	111.6	Y73 V74 A81 V84 A87 P100 T101 I102	Y73-I90 WeakPolarHBondContact CA-O 3.29Å; V74-I90 HydrophobicContact CB-CD1 4.3Å; V74-I90 HydrophobicContact CB-CG1 3.8Å; V74-I90 HydrophobicContact CG2-CD1 4.5Å; V74-I90 HydrophobicContact CG2-CG1 4.35Å; V74-I90 PolarHBondContact N-O 2.86Å; V74-I90 PolarHBondContact O-N 3.43Å; A81-I90 HydrophobicContact CB-CG1 4.32Å; A81-I90 HydrophobicContact CB-CG2 4.43Å; A81-I90 WeakPolarHBondContact O-CD1 3.31Å; V84-I90 HydrophobicContact CB-CG2 4.19Å; V84-I90 HydrophobicContact CG2-CD1 4.09Å; V84-I90 HydrophobicContact CG2-CG2 4.21Å; A87-I90 HydrophobicContact CB-CG2 3.57Å; I90-P100 HydrophobicContact CB-CB 4.37Å; I90-P100 HydrophobicContact CD1-CB 4.02Å; I90-P100 HydrophobicContact CD1-CG 4.46Å; I90-T101 CarbonylContact C-O 3.57Å; I90-T101 WeakPolarHBondContact CA-O 3.42Å; I90-I102 HydrophobicContact CG2-CG1 4.5Å
91	Q	94.9	Very high	91	Very high	20 Å²	20	60.7 Å²	60.7	9%	0.093	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	131.1	167.1	-172.2	-172.4	41.2	0	0	108.5	Y71 Y73 P100 T101 I103	Y71-Q91 HydrophobicContact CD1-CG 3.91Å; Y71-Q91 HydrophobicContact CG-CG 4.38Å; Y73-Q91 HydrophobicContact CD1-CB 4.15Å; Y73-Q91 HydrophobicContact CD1-CG 4.13Å; Y73-Q91 HydrophobicContact CE1-CB 4Å; Y73-Q91 HydrophobicContact CE1-CG 3.66Å; Y73-Q91 PolarHBondContact OH-NE2 2.87Å; Q91-P100 CarbonylContact O-C 3.56Å; Q91-P100 WeakPolarHBondContact O-CA 3.21Å; Q91-T101 PolarHBondContact N-O 3.12Å; Q91-T101 PolarHBondContact O-N 3.34Å; Q91-I103 HydrophobicContact CB-CD1 3.93Å; Q91-I103 HydrophobicContact CB-CG1 4.17Å
92	K	93.4	Very high	91.2	Very high	104 Å²	104	62 Å²	62	45%	0.452	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	129.4	176.7	-176	-179.6	177.3	-175.5	0	110.2	Y71 T72 P100	Y71-K92 CarbonylContact C-O 3.59Å; Y71-K92 WeakPolarHBondContact CA-O 3.1Å; T72-K92 PolarHBondContact N-O 3.24Å; T72-K92 PolarHBondContact O-N 3.19Å; K92-P100 HydrophobicContact CB-CB 4.41Å
93	K	92.4	Very high	91.5	Very high	66 Å²	66	59.7 Å²	59.7	29%	0.287	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	125.9	170.6	-171.2	167.3	-178.9	165.3	0	109.6	E69 Y71 D95 S96	E69-K93 IonicContact OE1-NZ 3.44Å; E69-K93 PolarHBondContact OE1-NZ 2.88Å; E69-K93 WeakPolarHBondContact OE2-CE 3.32Å; E69-K93 IonicContact OE2-NZ 3.32Å; E69-K93 PolarHBondContact OE2-NZ 3.12Å; Y71-K93 HydrophobicContact CD1-CB 4.18Å; Y71-K93 HydrophobicContact CE1-CB 4.05Å; Y71-K93 HydrophobicContact CE1-CD 4.33Å; Y71-K93 HydrophobicContact CE1-CG 4.25Å; K93-D95 PolarHBondContact O-N 2.9Å; K93-S96 PolarHBondContact O-N 2.87Å
94	I	87.2	Confident	91.8	Very high	61 Å²	61	56.9 Å²	56.9	31%	0.313	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-44.2	-173.1	-66.5	-175.8	0	0	0	111.4	E63 K70 T72 S96	E63-I94 HydrophobicContact CB-CD1 4.49Å; E63-I94 HydrophobicContact CG-CD1 4.02Å; K70-I94 HydrophobicContact CB-CB 4.14Å; K70-I94 HydrophobicContact CB-CD1 3.75Å; K70-I94 HydrophobicContact CB-CG1 4.08Å; K70-I94 HydrophobicContact CD-CD1 4.41Å; K70-I94 PolarHBondContact O-N 2.96Å; T72-I94 WeakPolarHBondContact OG1-CD1 3.47Å; T72-I94 WeakPolarHBondContact OG1-CG1 3.33Å; I94-S96 VanDerWaalsContact C-N 3.31Å; I94-S96 PolarHBondContact O-N 2.79Å
95	D	81.8	Confident	92	Very high	131 Å²	131	56.2 Å²	56.2	70%	0.701	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	7.1	-172.9	-60.3	-51.3	0	0	0	113.6	K93	K93-D95 PolarHBondContact O-N 2.9Å
96	S	80.8	Confident	92	Very high	30 Å²	30	53.1 Å²	53.1	21%	0.21	26%	0.261	C	S	.	.			trans	-118.4	148	179.5	-166.3	0	0	0	0	113	K93 I94 D98	K93-S96 PolarHBondContact O-N 2.87Å; I94-S96 VanDerWaalsContact C-N 3.31Å; I94-S96 PolarHBondContact O-N 2.79Å; S96-D98 VanDerWaalsContact C-N 3.26Å; S96-D98 WeakPolarHBondContact CB-OD2 3.31Å; S96-D98 PolarHBondContact OG-N 3.12Å; S96-D98 VanDerWaalsContact OG-N 3.16Å; S96-D98 PolarHBondContact OG-OD1 3.09Å; S96-D98 PolarHBondContact OG-OD2 2.78Å
97	K	81.6	Confident	92	Very high	215 Å²	215	51.2 Å²	51.2	94%	0.935	25%	0.253	S	S	*	.			trans	-89.3	7.8	168.9	-68.1	-173.1	180	179.9	0	112.6
98	D	84.5	Confident	92	Very high	114 Å²	114	52.3 Å²	52.3	61%	0.61	26%	0.261	S	S	*	.	S	Bend	trans	-59.5	155.2	178.7	-64.4	-34.1	0	0	0	111.7	S96	S96-D98 VanDerWaalsContact C-N 3.26Å; S96-D98 WeakPolarHBondContact CB-OD2 3.31Å; S96-D98 PolarHBondContact OG-N 3.12Å; S96-D98 VanDerWaalsContact OG-N 3.16Å; S96-D98 PolarHBondContact OG-OD1 3.09Å; S96-D98 PolarHBondContact OG-OD2 2.78Å
99	K	90.1	Very high	92	Very high	156 Å²	156	52.4 Å²	52.4	68%	0.678	26%	0.261	S	S	*	.	P	Polyproline II helix	trans	-59	134.6	173.4	-173.7	-171.7	171.5	-159.7	0	108.5
100	P	93.6	Very high	91.9	Very high	29 Å²	29	56 Å²	56	19%	0.188	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-63	140.4	174.6	26.8	-34.4	0	0	0	110.6	V84 I90 Q91 K92	V84-P100 HydrophobicContact CG2-CB 4.43Å; V84-P100 HydrophobicContact CG2-CG 3.47Å; V84-P100 VanDerWaalsContact CG2-CG 3.47Å; I90-P100 HydrophobicContact CB-CB 4.37Å; I90-P100 HydrophobicContact CD1-CB 4.02Å; I90-P100 HydrophobicContact CD1-CG 4.46Å; Q91-P100 CarbonylContact O-C 3.56Å; Q91-P100 WeakPolarHBondContact O-CA 3.21Å; K92-P100 HydrophobicContact CB-CB 4.41Å
101	T	94.9	Very high	91.8	Very high	41 Å²	41	55.9 Å²	55.9	25%	0.252	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	126.5	174.9	-51.6	0	0	0	0	108.7	I90 Q91 D126	I90-T101 CarbonylContact C-O 3.57Å; I90-T101 WeakPolarHBondContact CA-O 3.42Å; Q91-T101 PolarHBondContact N-O 3.12Å; Q91-T101 PolarHBondContact O-N 3.34Å; T101-D126 HydrophobicContact CG2-CB 4.11Å
102	I	97.1	Very high	91.7	Very high	28 Å²	28	58.5 Å²	58.5	14%	0.144	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	122.8	176.5	-57.8	174	0	0	0	108.2	V84 A87 I90 G125 D126	V84-I102 HydrophobicContact CG1-CD1 4.03Å; V84-I102 HydrophobicContact CG1-CG1 4.19Å; A87-I102 HydrophobicContact CB-CD1 4.31Å; A87-I102 HydrophobicContact CB-CG1 4.12Å; A87-I102 HydrophobicContact CB-CG2 3.93Å; I90-I102 HydrophobicContact CG2-CG1 4.5Å; I102-G125 CarbonylContact O-C 3.6Å; I102-G125 WeakPolarHBondContact O-CA 3.35Å; I102-D126 PolarHBondContact N-OD2 2.62Å; I102-D126 PolarHBondContact O-N 3.2Å
103	I	96.5	Very high	91.6	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	-36.2	178	-50.5	-177.3	0	0	0	110.6	Y73 V89 Q91 R137 K138 A139 Y169 F171	Y73-I103 HydrophobicContact CD1-CD1 3.58Å; Y73-I103 HydrophobicContact CE1-CD1 3.7Å; V89-I103 HydrophobicContact CB-CB 4.23Å; V89-I103 HydrophobicContact CG1-CB 4.04Å; V89-I103 HydrophobicContact CG1-CD1 3.79Å; V89-I103 HydrophobicContact CG1-CG1 4.24Å; V89-I103 PolarHBondContact O-N 2.9Å; Q91-I103 HydrophobicContact CB-CD1 3.93Å; Q91-I103 HydrophobicContact CB-CG1 4.17Å; I103-R137 HydrophobicContact CG2-CB 4.4Å; I103-R137 CarbonylContact O-C 3.58Å; I103-R137 WeakPolarHBondContact O-CB 3.12Å; I103-R137 VanDerWaalsContact O-O 3.06Å; I103-K138 PolarHBondContact O-N 3.38Å; I103-A139 HydrophobicContact CB-CB 4.49Å; I103-A139 HydrophobicContact CG2-CB 3.9Å; I103-Y169 HydrophobicContact CD1-CD1 4.23Å; I103-Y169 HydrophobicContact CD1-CE1 4.45Å; I103-Y169 HydrophobicContact CD1-CG 4.4Å; I103-Y169 HydrophobicContact CG2-CD1 4.36Å; I103-Y169 HydrophobicContact CG2-CD2 3.3Å; I103-Y169 HydrophobicContact CG2-CE2 3.88Å; I103-Y169 HydrophobicContact CG2-CG 3.58Å; I103-F171 HydrophobicContact CD1-CZ 3.95Å
104	G	96.4	Very high	91.5	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	147.5	177.5	0	0	0	0	0	112.7	G88 V89	G88-G104 PolarHBondContact N-O 3.16Å; V89-G104 PolarHBondContact N-O 3.24Å; V89-G104 PolarHBondContact O-N 2.72Å
105	S	96.1	Very high	91.5	Very high	9 Å²	9	53.9 Å²	53.9	6%	0.063	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	134	179.3	-178.9	0	0	0	0	111.9	N86 T107 S108 H123	N86-S105 VanDerWaalsContact O-CA 3.29Å; N86-S105 WeakPolarHBondContact O-CA 3.46Å; N86-S105 VanDerWaalsContact O-CB 3.28Å; N86-S105 WeakPolarHBondContact O-CB 3.18Å; N86-S105 PolarHBondContact O-OG 3.01Å; S105-T107 PolarHBondContact O-N 3.2Å; S105-T107 PolarHBondContact OG-N 3.08Å; S105-T107 VanDerWaalsContact OG-N 3.11Å; S105-T107 PolarHBondContact OG-OG1 3.44Å; S105-S108 CarbonylContact O-C 3.49Å; S105-S108 PolarHBondContact O-N 3.23Å; S105-H123 PolarHBondContact N-O 3.35Å
106	Y	94.1	Very high	91.9	Very high	22 Å²	22	51.2 Å²	51.2	9%	0.086	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	-7.7	171.1	65.7	-103.1	0	0	0	113	A35 C36 K37 G79 D80 N86 S108 T109	A35-Y106 HydrophobicContact CB-CE2 4.22Å; A35-Y106 WeakPolarHBondContact O-CD2 3.31Å; C36-Y106 VanDerWaalsContact CA-O 3.3Å; C36-Y106 WeakPolarHBondContact CA-O 3.45Å; K37-Y106 PolarHBondContact N-O 2.9Å; G79-Y106 VanDerWaalsContact C-CE1 3.41Å; G79-Y106 VanDerWaalsContact O-CD1 3.24Å; G79-Y106 WeakPolarHBondContact O-CD1 3.48Å; G79-Y106 VanDerWaalsContact O-CE1 3.25Å; G79-Y106 WeakPolarHBondContact O-CE1 3.44Å; D80-Y106 VanDerWaalsContact OD1-CE1 3.28Å; D80-Y106 WeakPolarHBondContact OD1-CE1 3.48Å; D80-Y106 PolarHBondContact OD1-OH 3.21Å; N86-Y106 VanDerWaalsContact C-CE1 3.41Å; Y106-S108 VanDerWaalsContact C-N 3.28Å; Y106-T109 PolarHBondContact O-OG1 3.49Å
107	T	94.1	Very high	92.5	Very high	46 Å²	46	54.3 Å²	54.3	28%	0.282	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	-9.5	173.1	69.2	0	0	0	0	113.3	K37 N86 S105	K37-T107 WeakPolarHBondContact CB-O 3.49Å; N86-T107 HydrophobicContact CB-CG2 3.88Å; N86-T107 WeakPolarHBondContact OD1-CG2 3.44Å; S105-T107 PolarHBondContact O-N 3.2Å; S105-T107 PolarHBondContact OG-N 3.08Å; S105-T107 VanDerWaalsContact OG-N 3.11Å; S105-T107 PolarHBondContact OG-OG1 3.44Å
108	S	94.7	Very high	93.2	Very high	23 Å²	23	44 Å²	44	16%	0.161	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	76.8	173.9	-165.3	0	0	0	0	108.3	S105 Y106 H123 N124	S105-S108 CarbonylContact O-C 3.49Å; S105-S108 PolarHBondContact O-N 3.23Å; Y106-S108 VanDerWaalsContact C-N 3.28Å; S108-H123 PolarHBondContact O-N 2.92Å; S108-N124 WeakPolarHBondContact CB-ND2 3.38Å
109	T	94.9	Very high	93.7	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.006	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	137.1	-174.3	-54.5	0	0	0	0	111.2	K37 L38 G39 Y106 V111 L120 L121 Y122	K37-T109 VanDerWaalsContact O-CB 3.31Å; K37-T109 WeakPolarHBondContact O-CB 3.41Å; K37-T109 PolarHBondContact O-N 3.26Å; L38-T109 CarbonylContact C-O 3.57Å; L38-T109 VanDerWaalsContact CA-O 3.27Å; L38-T109 WeakPolarHBondContact CA-O 3.36Å; L38-T109 HydrophobicContact CD2-CG2 4.3Å; G39-T109 PolarHBondContact N-O 3.41Å; Y106-T109 PolarHBondContact O-OG1 3.49Å; T109-V111 HydrophobicContact CG2-CG2 3.76Å; T109-L120 HydrophobicContact CG2-CD1 3.45Å; T109-L120 VanDerWaalsContact CG2-CD1 3.45Å; T109-L121 CarbonylContact C-O 3.48Å; T109-L121 WeakPolarHBondContact CA-O 3.32Å; T109-Y122 HydrophobicContact CG2-CD1 3.89Å; T109-Y122 HydrophobicContact CG2-CE1 3.59Å; T109-Y122 WeakPolarHBondContact OG1-CD1 3.48Å; T109-Y122 WeakPolarHBondContact OG1-CE1 3.02Å
110	E	95.1	Very high	94	Very high	75 Å²	75	33.2 Å²	33.2	35%	0.35	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	141.2	162.4	-176.7	178.2	175.7	0	0	109	L121 H123	E110-L121 HydrophobicContact CB-CB 4.16Å; E110-L121 PolarHBondContact N-O 2.92Å; E110-L121 PolarHBondContact O-N 3.39Å; E110-H123 IonicContact OE2-NE2 3.83Å
111	V	94.2	Very high	94.1	Very high	3 Å²	3	32.9 Å²	32.9	2%	0.018	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	132.4	-177.1	-173.1	0	0	0	0	109.4	L38 Q45 V48 L49 T109 V118 L120	L38-V111 HydrophobicContact CD2-CG2 3.89Å; Q45-V111 HydrophobicContact CB-CB 4.48Å; Q45-V111 WeakPolarHBondContact CG-O 3.43Å; Q45-V111 PolarHBondContact NE2-O 3.43Å; Q45-V111 VanDerWaalsContact NE2-O 3.11Å; V48-V111 HydrophobicContact CB-CG1 3.9Å; V48-V111 HydrophobicContact CG1-CG1 3.44Å; V48-V111 VanDerWaalsContact CG1-CG1 3.44Å; L49-V111 HydrophobicContact CB-CG2 4.4Å; L49-V111 HydrophobicContact CD1-CG2 4.06Å; T109-V111 HydrophobicContact CG2-CG2 3.76Å; V111-V118 HydrophobicContact CG1-CG1 3.8Å; V111-L120 HydrophobicContact CG2-CD1 3.71Å
112	I	93.2	Very high	94.2	Very high	75 Å²	75	31 Å²	31	39%	0.385	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	127.9	174.1	-53.7	173	0	0	0	107.1	W117 V118 M119 L121	I112-W117 HydrophobicContact CG2-CH2 4.11Å; I112-W117 HydrophobicContact CG2-CZ3 4.29Å; I112-V118 CarbonylContact O-C 3.58Å; I112-V118 WeakPolarHBondContact O-CA 3.48Å; I112-M119 HydrophobicContact CB-CB 4.46Å; I112-M119 PolarHBondContact N-O 2.02Å; I112-M119 PolarHBondContact O-N 3.44Å; I112-L121 HydrophobicContact CD1-CD1 4.41Å
113	G	90.8	Very high	94.1	Very high	33 Å²	33	32 Å²	32	34%	0.34	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	134.5	-174.8	0	0	0	0	0	113.4
114	G	89.1	Confident	94.1	Very high	21 Å²	21	36 Å²	36	22%	0.216	20%	0.201	C	C	.	.			trans	-98	-163	166.9	0	0	0	0	0	112.8	R51 W117	R51-G114 PolarHBondContact NH1-O 3.24Å; G114-W117 PolarHBondContact N-O 3.06Å
115	S	87.3	Confident	94	Very high	79 Å²	79	36.3 Å²	36.3	55%	0.552	21%	0.205	S	C	*	.	S	Bend	trans	-67	-43.2	175.1	34.8	0	0	0	0	112.7	R51 P180	R51-S115 PolarHBondContact NH2-O 2.93Å; S115-P180 WeakPolarHBondContact O-CD 3.4Å
116	D	91.6	Very high	94	Very high	75 Å²	75	38.5 Å²	38.5	40%	0.401	22%	0.216	S	C	.	.	S	Bend	trans	-131	5.1	-163.4	57.5	-35.8	0	0	0	112.6	C145	D116-C145 HydrophobicContact CB-CB 4.05Å; D116-C145 WeakPolarHBondContact O-CB 3.34Å; D116-C145 PolarHBondContact O-N 3.12Å
117	W	93.5	Very high	94	Very high	95 Å²	95	43.6 Å²	43.6	36%	0.36	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	155.2	175.2	61.5	-91	0	0	0	110.9	I112 G114 M119 M142 I143	I112-W117 HydrophobicContact CG2-CH2 4.11Å; I112-W117 HydrophobicContact CG2-CZ3 4.29Å; G114-W117 PolarHBondContact N-O 3.06Å; W117-M119 HydrophobicContact CE3-CB 4.35Å; W117-M119 HydrophobicContact CZ3-CB 3.96Å; W117-M142 HydrophobicContact CE3-SD 4.12Å; W117-I143 CarbonylContact C-O 3.57Å; W117-I143 WeakPolarHBondContact CA-O 3.48Å
118	V	95.4	Very high	93.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	130.2	171.6	174.6	0	0	0	0	108.7	V48 L52 V111 I112 I143 V178	V48-V118 HydrophobicContact CG1-CB 4.32Å; V48-V118 HydrophobicContact CG1-CG1 3.68Å; V48-V118 HydrophobicContact CG1-CG2 3.61Å; L52-V118 HydrophobicContact CD1-CG1 3.95Å; L52-V118 HydrophobicContact CD2-CB 4.35Å; L52-V118 HydrophobicContact CD2-CG1 4.45Å; L52-V118 HydrophobicContact CD2-CG2 4.36Å; V111-V118 HydrophobicContact CG1-CG1 3.8Å; I112-V118 CarbonylContact O-C 3.58Å; I112-V118 WeakPolarHBondContact O-CA 3.48Å; V118-I143 PolarHBondContact N-O 2.98Å; V118-I143 PolarHBondContact O-N 3.41Å; V118-V178 HydrophobicContact CB-CG1 4.37Å; V118-V178 HydrophobicContact CB-CG2 4.48Å; V118-V178 HydrophobicContact CG2-CG1 3.72Å; V118-V178 HydrophobicContact CG2-CG2 4.21Å
119	M	95.8	Very high	93.6	Very high	43 Å²	43	46.7 Å²	46.7	21%	0.212	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	120.1	170.4	-172.9	-179	-73.2	0	0	109	I112 W117 L121 M142	I112-M119 HydrophobicContact CB-CB 4.46Å; I112-M119 PolarHBondContact N-O 2.02Å; I112-M119 PolarHBondContact O-N 3.44Å; W117-M119 HydrophobicContact CE3-CB 4.35Å; W117-M119 HydrophobicContact CZ3-CB 3.96Å; M119-L121 HydrophobicContact CG-CD1 3.76Å; M119-L121 HydrophobicContact SD-CD1 4.11Å; M119-M142 HydrophobicContact CB-SD 4.35Å; M119-M142 HydrophobicContact CE-CE 3.28Å; M119-M142 HydrophobicContact CE-SD 4.14Å
120	L	95.5	Very high	93.2	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	124.7	177.7	177.5	69.1	0	0	0	108.8	L49 F75 L77 T109 V111 Y122 M140 I141	L49-L120 HydrophobicContact CD1-CD1 4.43Å; F75-L120 HydrophobicContact CE2-CD2 3.97Å; F75-L120 HydrophobicContact CZ-CD2 3.93Å; L77-L120 HydrophobicContact CD1-CD2 3.62Å; T109-L120 HydrophobicContact CG2-CD1 3.45Å; T109-L120 VanDerWaalsContact CG2-CD1 3.45Å; V111-L120 HydrophobicContact CG2-CD1 3.71Å; L120-Y122 HydrophobicContact CD1-CD1 4.4Å; L120-Y122 HydrophobicContact CD1-CE1 3.81Å; L120-Y122 HydrophobicContact CD2-CE1 4.04Å; L120-Y122 HydrophobicContact CD2-CE2 4.13Å; L120-Y122 HydrophobicContact CG-CD1 4.38Å; L120-Y122 HydrophobicContact CG-CE1 3.96Å; L120-M140 CarbonylContact O-C 3.57Å; L120-M140 WeakPolarHBondContact O-CA 3.19Å; L120-I141 HydrophobicContact CB-CB 4.28Å; L120-I141 HydrophobicContact CD2-CD1 4.39Å; L120-I141 HydrophobicContact CG-CD1 4.42Å; L120-I141 PolarHBondContact N-O 3.12Å; L120-I141 PolarHBondContact O-N 3.45Å
121	L	96.1	Very high	92.9	Very high	22 Å²	22	51.4 Å²	51.4	12%	0.115	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	125.8	179.1	-61.8	83.7	0	0	0	109	T109 E110 I112 M119 A139 M140	T109-L121 CarbonylContact C-O 3.48Å; T109-L121 WeakPolarHBondContact CA-O 3.32Å; E110-L121 HydrophobicContact CB-CB 4.16Å; E110-L121 PolarHBondContact N-O 2.92Å; E110-L121 PolarHBondContact O-N 3.39Å; I112-L121 HydrophobicContact CD1-CD1 4.41Å; M119-L121 HydrophobicContact CG-CD1 3.76Å; M119-L121 HydrophobicContact SD-CD1 4.11Å; L121-A139 CarbonylContact C-O 3.55Å; L121-A139 WeakPolarHBondContact CA-O 3.31Å; L121-M140 HydrophobicContact CD2-CG 4.2Å; L121-M140 HydrophobicContact CD2-SD 4.1Å; L121-M140 HydrophobicContact CG-CG 4.08Å; L121-M140 HydrophobicContact CG-SD 4.46Å
122	Y	96.5	Very high	92.7	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	121.4	171.2	-69.7	-26.4	0	0	0	109.7	C36 F75 C78 V89 T109 L120 K138 A139 I141	C36-Y122 PolarHBondContact SG-OH 2.8Å; C36-Y122 VanDerWaalsContact SG-OH 3.39Å; F75-Y122 HydrophobicContact CD2-CE2 4.33Å; F75-Y122 AromaticContact CE2-CE2 3.82Å; F75-Y122 HydrophobicContact CE2-CE2 3.82Å; C78-Y122 PolarHBondContact N-OH 2.74Å; C78-Y122 VanDerWaalsContact N-OH 3.09Å; V89-Y122 HydrophobicContact CG2-CD2 4.14Å; T109-Y122 HydrophobicContact CG2-CD1 3.89Å; T109-Y122 HydrophobicContact CG2-CE1 3.59Å; T109-Y122 WeakPolarHBondContact OG1-CD1 3.48Å; T109-Y122 WeakPolarHBondContact OG1-CE1 3.02Å; L120-Y122 HydrophobicContact CD1-CD1 4.4Å; L120-Y122 HydrophobicContact CD1-CE1 3.81Å; L120-Y122 HydrophobicContact CD2-CE1 4.04Å; L120-Y122 HydrophobicContact CD2-CE2 4.13Å; L120-Y122 HydrophobicContact CG-CD1 4.38Å; L120-Y122 HydrophobicContact CG-CE1 3.96Å; Y122-K138 WeakPolarHBondContact O-CA 3.03Å; Y122-A139 PolarHBondContact N-O 3.49Å; Y122-A139 PolarHBondContact O-N 3.14Å; Y122-I141 HydrophobicContact CD2-CD1 4.17Å
123	H	95.4	Very high	92.5	Very high	49 Å²	49	53.2 Å²	53.2	23%	0.227	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	-175.5	179.1	-57	-82.5	0	0	0	111.3	S105 S108 E110 G125	S105-H123 PolarHBondContact N-O 3.35Å; S108-H123 PolarHBondContact O-N 2.92Å; E110-H123 IonicContact OE2-NE2 3.83Å; H123-G125 PolarHBondContact O-N 3.19Å
124	N	95.3	Very high	92.5	Very high	85 Å²	85	57.5 Å²	57.5	46%	0.455	31%	0.306	S	S	.	.			trans	58.6	44.1	174	-53.4	4.8	0	0	0	112.9	S108	S108-N124 WeakPolarHBondContact CB-ND2 3.38Å
125	G	95.5	Very high	92.7	Very high	7 Å²	7	58.5 Å²	58.5	7%	0.072	31%	0.305	C	S	.	.			trans	-74.5	177.8	166.2	0	0	0	0	0	112.6	I102 H123 R137	I102-G125 CarbonylContact O-C 3.6Å; I102-G125 WeakPolarHBondContact O-CA 3.35Å; H123-G125 PolarHBondContact O-N 3.19Å; G125-R137 WeakPolarHBondContact CA-O 3.4Å; G125-R137 PolarHBondContact N-O 2.89Å
126	D	95.7	Very high	93	Very high	55 Å²	55	59.1 Å²	59.1	29%	0.294	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-63.3	146.1	173	-71.1	-31.8	0	0	0	110	T101 I102 R137	T101-D126 HydrophobicContact CG2-CB 4.11Å; I102-D126 PolarHBondContact N-OD2 2.62Å; I102-D126 PolarHBondContact O-N 3.2Å; D126-R137 WeakPolarHBondContact O-CB 3.31Å; D126-R137 WeakPolarHBondContact O-CG 3Å; D126-R137 PolarHBondContact O-N 3.25Å; D126-R137 VanDerWaalsContact O-N 3.15Å; D126-R137 PolarHBondContact O-NH1 2.82Å
127	K	95	Very high	93.2	Very high	129 Å²	129	56.4 Å²	56.4	56%	0.561	28%	0.283	S	S	*	.	B	Isolated β-bridge	trans	-68.9	142.8	-179.6	-67.2	-176.6	179.9	-173.7	0	112.1	E135 E136 R137	K127-E135 VanDerWaalsContact CA-O 3.32Å; K127-E135 WeakPolarHBondContact CA-O 3.28Å; K127-E136 HydrophobicContact CG-CG 3.83Å; K127-R137 PolarHBondContact O-NH1 3.37Å
128	Y	91.8	Very high	93.3	Very high	5 Å²	5	53.9 Å²	53.9	2%	0.02	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-61.1	141.1	170.6	-72.2	-82.3	0	0	0	110.8	H131 C132 Q134 E135 R137 R161 C167 Y169	Y128-H131 WeakPolarHBondContact CB-O 3.49Å; Y128-H131 HydrophobicContact CD1-CB 4.1Å; Y128-H131 HydrophobicContact CG-CB 4.43Å; Y128-C132 HydrophobicContact CD2-CB 3.7Å; Y128-C132 HydrophobicContact CE2-CB 3.96Å; Y128-C132 HydrophobicContact CG-CB 4.14Å; Y128-Q134 WeakPolarHBondContact O-CA 3.27Å; Y128-E135 HydrophobicContact CD2-CG 3.97Å; Y128-E135 VanDerWaalsContact CD2-O 3.3Å; Y128-E135 WeakPolarHBondContact CD2-O 3.25Å; Y128-E135 HydrophobicContact CE2-CG 4.15Å; Y128-E135 PolarHBondContact N-O 2.89Å; Y128-R137 HydrophobicContact CD1-CG 4.3Å; Y128-R137 HydrophobicContact CD2-CG 3.99Å; Y128-R137 HydrophobicContact CE1-CG 3.94Å; Y128-R137 HydrophobicContact CE2-CB 4.44Å; Y128-R137 HydrophobicContact CE2-CG 3.6Å; Y128-R137 HydrophobicContact CG-CG 4.33Å; Y128-R161 HydrophobicContact CE1-CB 4.17Å; Y128-C167 HydrophobicContact CE2-CB 3.79Å; Y128-Y169 HydrophobicContact CE1-CE2 4.27Å; Y128-Y169 VanDerWaalsContact OH-CE2 3.26Å; Y128-Y169 WeakPolarHBondContact OH-CE2 3.41Å
129	D	88.5	Confident	93.4	Very high	128 Å²	128	53.9 Å²	53.9	68%	0.684	28%	0.275	S	S	*	.	S	Bend	trans	-75.8	-55.8	-177.9	-58.3	-65.9	0	0	0	111.2	Q134 R137	D129-Q134 PolarHBondContact O-NE2 2.69Å; D129-Q134 VanDerWaalsContact O-NE2 3.15Å; D129-R137 IonicContact OD2-NH2 2.95Å
130	S	86.3	Confident	93.5	Very high	99 Å²	99	53.4 Å²	53.4	69%	0.692	27%	0.272	S	S	*	.	S	Bend	trans	-121.3	-11.6	-176.2	53.8	0	0	0	0	114.4
131	H	87.9	Confident	93.6	Very high	77 Å²	77	53.4 Å²	53.4	36%	0.356	27%	0.272	S	S	.	.	S	Bend	trans	-103.8	166.5	-175.3	-65.3	-84	0	0	0	111.7	Y128 N133 Q134 R161	Y128-H131 WeakPolarHBondContact CB-O 3.49Å; Y128-H131 HydrophobicContact CD1-CB 4.1Å; Y128-H131 HydrophobicContact CG-CB 4.43Å; H131-N133 VanDerWaalsContact C-N 3.25Å; H131-N133 PolarHBondContact O-N 3.42Å; H131-Q134 PolarHBondContact O-N 2.81Å; H131-R161 HydrophobicContact CB-CB 4.46Å
132	C	89.9	Confident	93.6	Very high	7 Å²	7	54.9 Å²	54.9	5%	0.047	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	46.5	39.9	170.2	-144.9	0	0	0	0	116.7	Y128 Q134 E135 C167	Y128-C132 HydrophobicContact CD2-CB 3.7Å; Y128-C132 HydrophobicContact CE2-CB 3.96Å; Y128-C132 HydrophobicContact CG-CB 4.14Å; C132-Q134 PolarHBondContact O-N 3.12Å; C132-E135 HydrophobicContact CB-CG 3.94Å; C132-E135 VanDerWaalsContact O-CG 3.3Å; C132-E135 WeakPolarHBondContact O-CG 3.34Å; C132-E135 PolarHBondContact O-N 2.87Å; C132-E135 PolarHBondContact SG-OE1 3.03Å; C132-C167 HydrophobicContact CB-CB 3.66Å; C132-C167 WeakPolarHBondContact CB-SG 3.29Å; C132-C167 WeakPolarHBondContact SG-CB 3.12Å; C132-C167 PolarHBondContact SG-N 2.04Å; C132-C167 CovalentContact SG-SG 2Å; C132-C167 PolarHBondContact SG-SG 3.05Å
133	N	88.8	Confident	93.5	Very high	109 Å²	109	55 Å²	55	58%	0.583	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	51.5	31.2	-178.7	-69.7	-33.5	0	0	0	114.4	H131 E135 L164	H131-N133 VanDerWaalsContact C-N 3.25Å; H131-N133 PolarHBondContact O-N 3.42Å; N133-E135 PolarHBondContact O-N 2.89Å; N133-L164 PolarHBondContact ND2-O 3.17Å
134	Q	90.9	Very high	93.4	Very high	122 Å²	122	54.1 Å²	54.1	57%	0.57	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	57.7	29.4	-179.9	-51.7	-177.6	-43.8	0	0	113.8	Y128 D129 H131 C132	Y128-Q134 WeakPolarHBondContact O-CA 3.27Å; D129-Q134 PolarHBondContact O-NE2 2.69Å; D129-Q134 VanDerWaalsContact O-NE2 3.15Å; H131-Q134 PolarHBondContact O-N 2.81Å; C132-Q134 PolarHBondContact O-N 3.12Å
135	E	93.3	Very high	93.3	Very high	43 Å²	43	52 Å²	52	20%	0.201	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-67.4	161.1	172.3	75	-179.9	-152.8	0	0	111.4	K127 Y128 C132 N133 D166 C167	K127-E135 VanDerWaalsContact CA-O 3.32Å; K127-E135 WeakPolarHBondContact CA-O 3.28Å; Y128-E135 HydrophobicContact CD2-CG 3.97Å; Y128-E135 VanDerWaalsContact CD2-O 3.3Å; Y128-E135 WeakPolarHBondContact CD2-O 3.25Å; Y128-E135 HydrophobicContact CE2-CG 4.15Å; Y128-E135 PolarHBondContact N-O 2.89Å; C132-E135 HydrophobicContact CB-CG 3.94Å; C132-E135 VanDerWaalsContact O-CG 3.3Å; C132-E135 WeakPolarHBondContact O-CG 3.34Å; C132-E135 PolarHBondContact O-N 2.87Å; C132-E135 PolarHBondContact SG-OE1 3.03Å; N133-E135 PolarHBondContact O-N 2.89Å; E135-D166 WeakPolarHBondContact OE1-CA 3.19Å; E135-D166 PolarHBondContact OE1-N 3.02Å; E135-D166 PolarHBondContact OE2-N 2.87Å; E135-C167 WeakPolarHBondContact OE1-CA 3.24Å; E135-C167 WeakPolarHBondContact OE1-CB 3.41Å; E135-C167 PolarHBondContact OE1-N 3.04Å
136	E	95.3	Very high	93.1	Very high	92 Å²	92	53.6 Å²	53.6	43%	0.43	28%	0.278	S	S	.	.	B	Isolated β-bridge	trans	-72.6	133	174.8	-67.5	176.7	175.2	0	0	109.5	K127	K127-E136 HydrophobicContact CG-CG 3.83Å
137	R	95.9	Very high	92.7	Very high	18 Å²	18	57.1 Å²	57.1	7%	0.068	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-59.6	148.6	176	-72	175	-178.1	85.8	-5.7	110.7	I103 G125 D126 K127 Y128 D129 Y169	I103-R137 HydrophobicContact CG2-CB 4.4Å; I103-R137 CarbonylContact O-C 3.58Å; I103-R137 WeakPolarHBondContact O-CB 3.12Å; I103-R137 VanDerWaalsContact O-O 3.06Å; G125-R137 WeakPolarHBondContact CA-O 3.4Å; G125-R137 PolarHBondContact N-O 2.89Å; D126-R137 WeakPolarHBondContact O-CB 3.31Å; D126-R137 WeakPolarHBondContact O-CG 3Å; D126-R137 PolarHBondContact O-N 3.25Å; D126-R137 VanDerWaalsContact O-N 3.15Å; D126-R137 PolarHBondContact O-NH1 2.82Å; K127-R137 PolarHBondContact O-NH1 3.37Å; Y128-R137 HydrophobicContact CD1-CG 4.3Å; Y128-R137 HydrophobicContact CD2-CG 3.99Å; Y128-R137 HydrophobicContact CE1-CG 3.94Å; Y128-R137 HydrophobicContact CE2-CB 4.44Å; Y128-R137 HydrophobicContact CE2-CG 3.6Å; Y128-R137 HydrophobicContact CG-CG 4.33Å; D129-R137 IonicContact OD2-NH2 2.95Å; R137-Y169 HydrophobicContact CB-CE2 4.33Å; R137-Y169 HydrophobicContact CG-CE2 3.94Å
138	K	95.6	Very high	92.3	Very high	41 Å²	41	58.1 Å²	58.1	18%	0.178	30%	0.302	C	S	.	.			trans	-132.2	137.2	172.7	61.7	-167.9	178.1	-174.2	0	110.3	I103 Y122 D166 C167 F168 Y169	I103-K138 PolarHBondContact O-N 3.38Å; Y122-K138 WeakPolarHBondContact O-CA 3.03Å; K138-D166 IonicContact NZ-OD1 2.77Å; K138-D166 PolarHBondContact NZ-OD1 3.49Å; K138-C167 WeakPolarHBondContact CE-O 3.3Å; K138-C167 VanDerWaalsContact CG-O 3.23Å; K138-C167 WeakPolarHBondContact CG-O 3.35Å; K138-F168 HydrophobicContact CD-CB 4.36Å; K138-F168 HydrophobicContact CG-CB 3.75Å; K138-F168 WeakPolarHBondContact O-CA 3.27Å; K138-Y169 PolarHBondContact O-N 3.44Å
139	A	97.1	Very high	91.9	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	130	175.8	0	0	0	0	0	109.9	V89 I103 L121 Y122 I141 F171	V89-A139 HydrophobicContact CB-CB 4.15Å; V89-A139 HydrophobicContact CG2-CB 3.97Å; I103-A139 HydrophobicContact CB-CB 4.49Å; I103-A139 HydrophobicContact CG2-CB 3.9Å; L121-A139 CarbonylContact C-O 3.55Å; L121-A139 WeakPolarHBondContact CA-O 3.31Å; Y122-A139 PolarHBondContact N-O 3.49Å; Y122-A139 PolarHBondContact O-N 3.14Å; A139-I141 HydrophobicContact CB-CD1 4.06Å; A139-F171 HydrophobicContact CB-CD2 4.41Å; A139-F171 HydrophobicContact CB-CE2 3.95Å
140	M	97.2	Very high	91.4	Very high	34 Å²	34	60.3 Å²	60.3	17%	0.167	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	119.5	171	-65.4	-161.6	-75.9	0	0	108.6	L120 L121 F168 Y169 L170 F171	L120-M140 CarbonylContact O-C 3.57Å; L120-M140 WeakPolarHBondContact O-CA 3.19Å; L121-M140 HydrophobicContact CD2-CG 4.2Å; L121-M140 HydrophobicContact CD2-SD 4.1Å; L121-M140 HydrophobicContact CG-CG 4.08Å; L121-M140 HydrophobicContact CG-SD 4.46Å; M140-F168 HydrophobicContact CE-CB 3.76Å; M140-F168 HydrophobicContact CE-CD1 3.72Å; M140-F168 HydrophobicContact CE-CD2 3.07Å; M140-F168 HydrophobicContact CE-CE1 4.04Å; M140-F168 HydrophobicContact CE-CE2 3.43Å; M140-F168 VanDerWaalsContact CE-CE2 3.43Å; M140-F168 HydrophobicContact CE-CG 3.24Å; M140-F168 HydrophobicContact CE-CZ 3.91Å; M140-Y169 PolarHBondContact N-O 3.5Å; M140-L170 HydrophobicContact CB-CD1 4.02Å; M140-L170 CarbonylContact O-C 3.17Å; M140-L170 WeakPolarHBondContact O-CA 3.34Å; M140-F171 PolarHBondContact O-N 3.49Å
141	I	96.9	Very high	91.2	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	111.2	-179.6	-53.3	86.4	0	0	0	107.3	F75 V89 L120 Y122 A139 I143 F154 F171 L173	F75-I141 HydrophobicContact CD2-CG1 4.3Å; F75-I141 HydrophobicContact CE1-CG2 4.34Å; F75-I141 HydrophobicContact CE2-CD1 4.31Å; F75-I141 HydrophobicContact CE2-CG1 4.17Å; F75-I141 HydrophobicContact CZ-CG2 4.35Å; V89-I141 HydrophobicContact CG2-CD1 4.08Å; V89-I141 HydrophobicContact CG2-CG1 4.45Å; L120-I141 HydrophobicContact CB-CB 4.28Å; L120-I141 HydrophobicContact CD2-CD1 4.39Å; L120-I141 HydrophobicContact CG-CD1 4.42Å; L120-I141 PolarHBondContact N-O 3.12Å; L120-I141 PolarHBondContact O-N 3.45Å; Y122-I141 HydrophobicContact CD2-CD1 4.17Å; A139-I141 HydrophobicContact CB-CD1 4.06Å; I141-I143 HydrophobicContact CG2-CG1 4.01Å; I141-F154 HydrophobicContact CG2-CE2 4.4Å; I141-F171 HydrophobicContact CG1-CB 4.3Å; I141-F171 HydrophobicContact CG1-CD2 4.18Å; I141-F171 HydrophobicContact CG2-CB 4.45Å; I141-L173 HydrophobicContact CG2-CB 4.43Å
142	M	96.1	Very high	90.8	Very high	53 Å²	53	53.9 Å²	53.9	26%	0.261	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	117	172.2	-173	71.2	80.9	0	0	108.9	W117 M119 F171 E172 L173	W117-M142 HydrophobicContact CE3-SD 4.12Å; M119-M142 HydrophobicContact CB-SD 4.35Å; M119-M142 HydrophobicContact CE-CE 3.28Å; M119-M142 HydrophobicContact CE-SD 4.14Å; M142-F171 PolarHBondContact N-O 3.18Å; M142-E172 CarbonylContact O-C 3.58Å; M142-E172 WeakPolarHBondContact O-CA 3.27Å; M142-L173 PolarHBondContact O-N 3.22Å
143	I	95.3	Very high	90.5	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.005	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	110.7	178.3	-48	176	0	0	0	109	L52 L55 W117 V118 I141 L173 V178	L52-I143 HydrophobicContact CD1-CD1 3.82Å; L52-I143 HydrophobicContact CD2-CD1 3.84Å; L52-I143 HydrophobicContact CG-CD1 4.48Å; L55-I143 HydrophobicContact CD1-CD1 4.36Å; L55-I143 HydrophobicContact CD1-CG2 4.18Å; W117-I143 CarbonylContact C-O 3.57Å; W117-I143 WeakPolarHBondContact CA-O 3.48Å; V118-I143 PolarHBondContact N-O 2.98Å; V118-I143 PolarHBondContact O-N 3.41Å; I141-I143 HydrophobicContact CG2-CG1 4.01Å; I143-L173 CarbonylContact C-O 3.59Å; I143-L173 WeakPolarHBondContact CA-O 3.29Å; I143-L173 HydrophobicContact CD1-CD2 4.5Å; I143-L173 HydrophobicContact CG1-CB 4.39Å; I143-L173 HydrophobicContact CG1-CD2 4.35Å; I143-L173 HydrophobicContact CG2-CD2 4.46Å; I143-L173 HydrophobicContact CG2-CG 4.47Å; I143-V178 HydrophobicContact CB-CG2 4.2Å; I143-V178 HydrophobicContact CG2-CG2 3.55Å
144	S	94.2	Very high	90.7	Very high	32 Å²	32	54.7 Å²	54.7	22%	0.224	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	146.1	-177.3	-65.8	0	0	0	0	111.7	N146 L173 S175	S144-N146 PolarHBondContact O-N 3.26Å; S144-L173 PolarHBondContact N-O 2.95Å; S144-S175 PolarHBondContact O-N 3.11Å
145	C	92.6	Very high	90.8	Very high	41 Å²	41	53.3 Å²	53.3	28%	0.277	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	116.5	175.2	162.6	0	0	0	0	110.9	D116 S175 C179	D116-C145 HydrophobicContact CB-CB 4.05Å; D116-C145 WeakPolarHBondContact O-CB 3.34Å; D116-C145 PolarHBondContact O-N 3.12Å; C145-S175 WeakPolarHBondContact CA-O 3.37Å; C145-C179 VanDerWaalsContact CA-SG 3.5Å; C145-C179 HydrophobicContact CB-CB 4.01Å; C145-C179 WeakPolarHBondContact CB-SG 3.48Å; C145-C179 WeakPolarHBondContact SG-CA 3.48Å; C145-C179 WeakPolarHBondContact SG-CB 3.37Å; C145-C179 CovalentContact SG-SG 2.04Å; C145-C179 PolarHBondContact SG-SG 3.46Å
146	N	91.8	Very high	90.9	Very high	39 Å²	39	53 Å²	53	21%	0.209	28%	0.276	C	S	.	.			trans	-127.5	109.4	167	-169.4	-23.4	0	0	0	109.5	S144 N148 T149 D174 S175 S176	S144-N146 PolarHBondContact O-N 3.26Å; N146-N148 PolarHBondContact O-N 3.32Å; N146-N148 WeakPolarHBondContact OD1-CB 3.47Å; N146-N148 PolarHBondContact OD1-N 2.91Å; N146-N148 VanDerWaalsContact OD1-N 3.12Å; N146-T149 WeakPolarHBondContact CB-OG1 3.35Å; N146-T149 PolarHBondContact O-N 3.36Å; N146-D174 HydrophobicContact CB-CB 3.77Å; N146-D174 PolarHBondContact ND2-OD2 3.24Å; N146-S175 PolarHBondContact N-O 2.94Å; N146-S175 CarbonylContact O-C 3.53Å; N146-S176 WeakPolarHBondContact O-CA 3.45Å; N146-S176 VanDerWaalsContact O-CB 3.3Å; N146-S176 WeakPolarHBondContact O-CB 3.37Å; N146-S176 PolarHBondContact O-N 2.73Å; N146-S176 VanDerWaalsContact O-N 3.12Å
147	K	87	Confident	90.8	Very high	130 Å²	130	52.5 Å²	52.5	57%	0.565	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-17.4	-176.2	-66.3	-178.1	-177.2	173.9	0	113.6	C179 V182	K147-C179 HydrophobicContact CG-CB 4.34Å; K147-V182 HydrophobicContact CD-CG2 4.48Å
148	N	85.2	Confident	90.6	Very high	150 Å²	150	55.4 Å²	55.4	80%	0.802	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-13	-173.2	-58.5	-42.2	0	0	0	112.8	N146	N146-N148 PolarHBondContact O-N 3.32Å; N146-N148 WeakPolarHBondContact OD1-CB 3.47Å; N146-N148 PolarHBondContact OD1-N 2.91Å; N146-N148 VanDerWaalsContact OD1-N 3.12Å
149	T	83.6	Confident	90.4	Very high	47 Å²	47	55 Å²	55	29%	0.288	29%	0.291	S	S	.	.			trans	-134.4	127.1	-171	51.5	0	0	0	0	110.8	N146 S176	N146-T149 WeakPolarHBondContact CB-OG1 3.35Å; N146-T149 PolarHBondContact O-N 3.36Å; T149-S176 VanDerWaalsContact O-CB 3.29Å; T149-S176 WeakPolarHBondContact O-CB 3.03Å; T149-S176 PolarHBondContact O-N 3.5Å; T149-S176 PolarHBondContact O-OG 3.49Å
150	E	78.7	Confident	90	Very high	131 Å²	131	56.3 Å²	56.3	61%	0.612	30%	0.298	S	S	*	.	S	Bend	trans	-68.2	-46.2	176.3	-68.8	-173	176.6	0	0	112.1	R58 S175 S176	R58-E150 IonicContact NH1-OE2 3.81Å; R58-E150 IonicContact NH2-OE2 3.23Å; R58-E150 PolarHBondContact NH2-OE2 3.27Å; E150-S175 WeakPolarHBondContact O-CB 3.48Å; E150-S175 PolarHBondContact O-OG 3.47Å; E150-S176 WeakPolarHBondContact CA-OG 3.43Å
151	A	81.2	Confident	89.5	Confident	31 Å²	31	58.1 Å²	58.1	26%	0.256	30%	0.303	S	S	.	.	S	Bend	trans	-138	109.7	167.3	0	0	0	0	0	105.8	L55 L60	L55-A151 HydrophobicContact CD2-CB 3.76Å; L60-A151 HydrophobicContact CD2-CB 4.41Å
152	G	80.8	Confident	88.9	Confident	11 Å²	11	64.6 Å²	64.6	11%	0.113	34%	0.338	C	S	.	.			trans	-79.4	-163.8	178.9	0	0	0	0	0	112.2	D174	G152-D174 WeakPolarHBondContact CA-O 3.43Å; G152-D174 PolarHBondContact N-O 3.23Å
153	N	83.8	Confident	88.5	Confident	120 Å²	120	68.4 Å²	68.4	64%	0.642	35%	0.349	S	S	*	.			trans	-70.2	133	-179.4	-63.9	-15.9	0	0	0	109.8	E155	N153-E155 HydrophobicContact CB-CG 4.15Å
154	F	92.3	Very high	87.9	Confident	12 Å²	12	74.9 Å²	74.9	5%	0.053	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	122.7	167.9	178.5	-113.3	0	0	0	107.7	L60 V62 F75 I141 F171 E172 L173	L60-F154 HydrophobicContact CB-CB 3.89Å; L60-F154 HydrophobicContact CB-CD1 4.49Å; L60-F154 HydrophobicContact CB-CG 4.15Å; V62-F154 HydrophobicContact CB-CD1 4.14Å; V62-F154 VanDerWaalsContact CB-O 3.27Å; V62-F154 WeakPolarHBondContact CB-O 3.41Å; V62-F154 HydrophobicContact CG1-CD1 3.58Å; V62-F154 HydrophobicContact CG1-CE1 3.81Å; V62-F154 WeakPolarHBondContact CG2-O 3.18Å; F75-F154 HydrophobicContact CB-CD1 4.36Å; F75-F154 HydrophobicContact CB-CD2 4.28Å; F75-F154 HydrophobicContact CB-CE1 3.8Å; F75-F154 HydrophobicContact CB-CE2 3.69Å; F75-F154 HydrophobicContact CB-CZ 3.43Å; F75-F154 VanDerWaalsContact CB-CZ 3.43Å; F75-F154 HydrophobicContact CD1-CD2 4.12Å; F75-F154 AromaticContact CD1-CE2 3.95Å; F75-F154 HydrophobicContact CD1-CE2 3.95Å; F75-F154 AromaticContact CG-CE2 3.97Å; F75-F154 HydrophobicContact CG-CE2 3.97Å; F75-F154 HydrophobicContact CG-CZ 4.18Å; I141-F154 HydrophobicContact CG2-CE2 4.4Å; F154-F171 HydrophobicContact CD2-CB 4.38Å; F154-F171 AromaticContact CE1-CD1 3.91Å; F154-F171 HydrophobicContact CE1-CD1 3.91Å; F154-F171 HydrophobicContact CE1-CE1 4.32Å; F154-F171 HydrophobicContact CE2-CB 3.47Å; F154-F171 VanDerWaalsContact CE2-CB 3.47Å; F154-F171 AromaticContact CE2-CD1 3.93Å; F154-F171 HydrophobicContact CE2-CD1 3.93Å; F154-F171 AromaticContact CE2-CG 3.8Å; F154-F171 HydrophobicContact CE2-CG 3.8Å; F154-F171 HydrophobicContact CZ-CB 3.78Å; F154-F171 AromaticContact CZ-CD1 3.29Å; F154-F171 HydrophobicContact CZ-CD1 3.29Å; F154-F171 HydrophobicContact CZ-CD2 4.34Å; F154-F171 AromaticContact CZ-CE1 3.94Å; F154-F171 HydrophobicContact CZ-CE1 3.94Å; F154-F171 AromaticContact CZ-CG 3.54Å; F154-F171 HydrophobicContact CZ-CG 3.54Å; F154-E172 WeakPolarHBondContact CA-O 3.34Å; F154-L173 HydrophobicContact CB-CD1 4.23Å; F154-L173 HydrophobicContact CD2-CB 4.4Å
155	E	94	Very high	87.5	Confident	93 Å²	93	80.2 Å²	80.2	44%	0.435	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	146.1	-173.7	-63.5	-173.3	-174.5	0	0	110.9	N153 I157 F171 E172	N153-E155 HydrophobicContact CB-CG 4.15Å; E155-I157 HydrophobicContact CB-CD1 4.33Å; E155-F171 CarbonylContact O-C 3.58Å; E155-F171 VanDerWaalsContact O-CA 3.26Å; E155-F171 WeakPolarHBondContact O-CA 3.34Å; E155-E172 PolarHBondContact N-O 2.86Å; E155-E172 PolarHBondContact O-N 3.38Å
156	V	94.3	Very high	87.4	Confident	36 Å²	36	83.1 Å²	83.1	22%	0.218	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	117.1	173.6	-168.2	0	0	0	0	107.7	V62 V64 Y73 F171	V62-V156 HydrophobicContact CG1-CG2 3.54Å; V64-V156 HydrophobicContact CG2-CB 4.14Å; V64-V156 HydrophobicContact CG2-CG2 3.71Å; Y73-V156 HydrophobicContact CD2-CG2 3.6Å; Y73-V156 HydrophobicContact CE2-CG2 4Å; Y73-V156 HydrophobicContact CG-CG2 3.9Å; V156-F171 HydrophobicContact CB-CD1 4.3Å; V156-F171 HydrophobicContact CB-CE1 4.31Å; V156-F171 HydrophobicContact CG1-CD1 4.26Å; V156-F171 HydrophobicContact CG1-CE1 3.98Å; V156-F171 HydrophobicContact CG2-CD1 3.93Å; V156-F171 HydrophobicContact CG2-CE1 3.77Å
157	I	93.8	Very high	87.5	Confident	83 Å²	83	81.2 Å²	81.2	43%	0.426	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-48	-175.7	-57.9	-54.4	0	0	0	110.9	E155 L170 E172	E155-I157 HydrophobicContact CB-CD1 4.33Å; I157-L170 HydrophobicContact CB-CD2 4.25Å; I157-L170 HydrophobicContact CB-CG 4.22Å; I157-L170 HydrophobicContact CG2-CD2 4.06Å; I157-L170 PolarHBondContact N-O 2.9Å; I157-E172 HydrophobicContact CD1-CB 3.79Å; I157-E172 WeakPolarHBondContact CD1-OE2 3.3Å; I157-E172 HydrophobicContact CG1-CB 3.61Å
158	L	91.7	Very high	87.8	Confident	78 Å²	78	76.5 Å²	76.5	41%	0.408	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	132.9	-174.5	-178.4	66.5	0	0	0	111.2	D160 F168 Y169 L170	L158-D160 HydrophobicContact CD2-CB 4.17Å; L158-D160 HydrophobicContact CG-CB 4.28Å; L158-F168 HydrophobicContact CD2-CE2 4.16Å; L158-F168 HydrophobicContact CD2-CZ 4.32Å; L158-Y169 CarbonylContact O-C 3.58Å; L158-Y169 WeakPolarHBondContact O-CA 2.98Å; L158-L170 HydrophobicContact CB-CB 4.17Å; L158-L170 PolarHBondContact N-O 3.37Å; L158-L170 PolarHBondContact O-N 2.59Å
159	E	90.8	Very high	88.4	Confident	34 Å²	34	69.5 Å²	69.5	16%	0.159	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	105.6	159.7	175.2	178.1	171.2	0	0	107.8	R161 Y169	E159-R161 VanDerWaalsContact CD-NH1 3.35Å; E159-R161 HydrophobicContact CG-CB 4.28Å; E159-R161 HydrophobicContact CG-CG 4.36Å; E159-R161 PolarHBondContact O-N 3.48Å; E159-R161 WeakPolarHBondContact OE1-CD 3.37Å; E159-R161 IonicContact OE1-CZ 3.93Å; E159-R161 IonicContact OE1-NE 3.97Å; E159-R161 IonicContact OE1-NH1 2.78Å; E159-R161 PolarHBondContact OE1-NH1 2.99Å; E159-R161 IonicContact OE2-NH1 2.65Å; E159-R161 PolarHBondContact OE2-NH1 3.43Å; E159-Y169 HydrophobicContact CB-CD1 3.99Å; E159-Y169 HydrophobicContact CB-CE1 3.9Å; E159-Y169 VanDerWaalsContact CD-CZ 3.48Å; E159-Y169 VanDerWaalsContact CD-OH 3.26Å; E159-Y169 HydrophobicContact CG-CD1 3.89Å; E159-Y169 HydrophobicContact CG-CE1 3.37Å; E159-Y169 HydrophobicContact CG-CE2 4.43Å; E159-Y169 PolarHBondContact OE1-OH 3.24Å; E159-Y169 VanDerWaalsContact OE2-CE1 3.31Å; E159-Y169 WeakPolarHBondContact OE2-CE1 3.48Å
160	D	88.7	Confident	89	Confident	26 Å²	26	69.2 Å²	69.2	14%	0.139	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	85.6	178.6	-165.4	-12.8	0	0	0	109.5	L158 R163 C167 F168	L158-D160 HydrophobicContact CD2-CB 4.17Å; L158-D160 HydrophobicContact CG-CB 4.28Å; D160-R163 WeakPolarHBondContact OD1-CG 3.25Å; D160-R163 IonicContact OD1-NE 3.66Å; D160-R163 WeakPolarHBondContact OD2-CD 3.04Å; D160-R163 IonicContact OD2-CZ 3.25Å; D160-R163 VanDerWaalsContact OD2-CZ 3.25Å; D160-R163 IonicContact OD2-NE 2.68Å; D160-R163 PolarHBondContact OD2-NE 2.82Å; D160-R163 IonicContact OD2-NH2 3.37Å; D160-R163 PolarHBondContact OD2-NH2 3.05Å; D160-C167 WeakPolarHBondContact O-CA 3.49Å; D160-C167 WeakPolarHBondContact O-CB 3.11Å; D160-C167 PolarHBondContact O-SG 3.16Å; D160-C167 VanDerWaalsContact O-SG 3.42Å; D160-F168 HydrophobicContact CB-CD1 4.41Å; D160-F168 HydrophobicContact CB-CE1 4.14Å; D160-F168 HydrophobicContact CB-CE2 4.36Å; D160-F168 HydrophobicContact CB-CZ 4.12Å; D160-F168 PolarHBondContact N-O 2.92Å; D160-F168 PolarHBondContact O-N 3.27Å
161	R	86.8	Confident	89.9	Confident	72 Å²	72	63 Å²	63	27%	0.272	31%	0.314	S	S	.	.			trans	-104	-9.2	-177.4	64.1	172.9	170.4	-134.9	4.4	114.9	E66 Y128 H131 E159 R163	E66-R161 IonicContact OE2-NH1 3.75Å; Y128-R161 HydrophobicContact CE1-CB 4.17Å; H131-R161 HydrophobicContact CB-CB 4.46Å; E159-R161 VanDerWaalsContact CD-NH1 3.35Å; E159-R161 HydrophobicContact CG-CB 4.28Å; E159-R161 HydrophobicContact CG-CG 4.36Å; E159-R161 PolarHBondContact O-N 3.48Å; E159-R161 WeakPolarHBondContact OE1-CD 3.37Å; E159-R161 IonicContact OE1-CZ 3.93Å; E159-R161 IonicContact OE1-NE 3.97Å; E159-R161 IonicContact OE1-NH1 2.78Å; E159-R161 PolarHBondContact OE1-NH1 2.99Å; E159-R161 IonicContact OE2-NH1 2.65Å; E159-R161 PolarHBondContact OE2-NH1 3.43Å; R161-R163 VanDerWaalsContact C-N 3.34Å
162	D	84.9	Confident	90.6	Very high	136 Å²	136	65.1 Å²	65.1	73%	0.727	32%	0.319	S	S	*	.	S	Bend	trans	-88.1	-6.2	-173.4	-66.2	-31.2	0	0	0	112.9
163	R	86.3	Confident	91.2	Very high	133 Å²	133	64.6 Å²	64.6	50%	0.502	31%	0.313	S	S	.	.	S	Bend	trans	-70.4	153.6	173.7	-71.8	-179.9	-178.4	-153.2	0.3	111.7	D160 R161 K165 C167	D160-R163 WeakPolarHBondContact OD1-CG 3.25Å; D160-R163 IonicContact OD1-NE 3.66Å; D160-R163 WeakPolarHBondContact OD2-CD 3.04Å; D160-R163 IonicContact OD2-CZ 3.25Å; D160-R163 VanDerWaalsContact OD2-CZ 3.25Å; D160-R163 IonicContact OD2-NE 2.68Å; D160-R163 PolarHBondContact OD2-NE 2.82Å; D160-R163 IonicContact OD2-NH2 3.37Å; D160-R163 PolarHBondContact OD2-NH2 3.05Å; R161-R163 VanDerWaalsContact C-N 3.34Å; R163-K165 VanDerWaalsContact C-N 3.35Å; R163-C167 PolarHBondContact O-SG 2.77Å
164	L	84	Confident	91.7	Very high	137 Å²	137	61.1 Å²	61.1	72%	0.717	30%	0.295	S	S	*	.	S	Bend	trans	-69.5	-34.6	173.4	-67.5	173.6	0	0	0	111.8	N133	N133-L164 PolarHBondContact ND2-O 3.17Å
165	K	86.3	Confident	91.6	Very high	145 Å²	145	60.6 Å²	60.6	63%	0.63	29%	0.293	S	S	*	.	S	Bend	trans	-150.3	159.9	-179.3	-66.5	-172.3	177.6	-177.2	0	109.2	R163	R163-K165 VanDerWaalsContact C-N 3.35Å
166	D	88.9	Confident	91.5	Very high	101 Å²	101	58.3 Å²	58.3	54%	0.54	29%	0.287	S	S	.	.			trans	64.1	41.2	175.9	-70.9	-56.7	0	0	0	114.5	E135 K138 F168	E135-D166 WeakPolarHBondContact OE1-CA 3.19Å; E135-D166 PolarHBondContact OE1-N 3.02Å; E135-D166 PolarHBondContact OE2-N 2.87Å; K138-D166 IonicContact NZ-OD1 2.77Å; K138-D166 PolarHBondContact NZ-OD1 3.49Å; D166-F168 WeakPolarHBondContact O-CD1 3.2Å
167	C	94	Very high	91.1	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.287	C	S	.	.			trans	-71.1	146.1	171.2	-61.6	0	0	0	0	112.5	Y128 C132 E135 K138 D160 R163	Y128-C167 HydrophobicContact CE2-CB 3.79Å; C132-C167 HydrophobicContact CB-CB 3.66Å; C132-C167 WeakPolarHBondContact CB-SG 3.29Å; C132-C167 WeakPolarHBondContact SG-CB 3.12Å; C132-C167 PolarHBondContact SG-N 2.04Å; C132-C167 CovalentContact SG-SG 2Å; C132-C167 PolarHBondContact SG-SG 3.05Å; E135-C167 WeakPolarHBondContact OE1-CA 3.24Å; E135-C167 WeakPolarHBondContact OE1-CB 3.41Å; E135-C167 PolarHBondContact OE1-N 3.04Å; K138-C167 WeakPolarHBondContact CE-O 3.3Å; K138-C167 VanDerWaalsContact CG-O 3.23Å; K138-C167 WeakPolarHBondContact CG-O 3.35Å; D160-C167 WeakPolarHBondContact O-CA 3.49Å; D160-C167 WeakPolarHBondContact O-CB 3.11Å; D160-C167 PolarHBondContact O-SG 3.16Å; D160-C167 VanDerWaalsContact O-SG 3.42Å; R163-C167 PolarHBondContact O-SG 2.77Å
168	F	94.8	Very high	90.9	Very high	31 Å²	31	53.9 Å²	53.9	14%	0.136	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	160.9	-175.1	59.2	-95.7	0	0	0	112.4	K138 M140 L158 D160 D166 L170	K138-F168 HydrophobicContact CD-CB 4.36Å; K138-F168 HydrophobicContact CG-CB 3.75Å; K138-F168 WeakPolarHBondContact O-CA 3.27Å; M140-F168 HydrophobicContact CE-CB 3.76Å; M140-F168 HydrophobicContact CE-CD1 3.72Å; M140-F168 HydrophobicContact CE-CD2 3.07Å; M140-F168 HydrophobicContact CE-CE1 4.04Å; M140-F168 HydrophobicContact CE-CE2 3.43Å; M140-F168 VanDerWaalsContact CE-CE2 3.43Å; M140-F168 HydrophobicContact CE-CG 3.24Å; M140-F168 HydrophobicContact CE-CZ 3.91Å; L158-F168 HydrophobicContact CD2-CE2 4.16Å; L158-F168 HydrophobicContact CD2-CZ 4.32Å; D160-F168 HydrophobicContact CB-CD1 4.41Å; D160-F168 HydrophobicContact CB-CE1 4.14Å; D160-F168 HydrophobicContact CB-CE2 4.36Å; D160-F168 HydrophobicContact CB-CZ 4.12Å; D160-F168 PolarHBondContact N-O 2.92Å; D160-F168 PolarHBondContact O-N 3.27Å; D166-F168 WeakPolarHBondContact O-CD1 3.2Å; F168-L170 HydrophobicContact CD2-CB 4.18Å; F168-L170 HydrophobicContact CE2-CB 4.06Å
169	Y	96.2	Very high	90.8	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.008	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	125.2	167.2	-66.8	-103.1	0	0	0	108.7	Y73 I103 Y128 R137 K138 M140 L158 E159 F171	Y73-Y169 HydrophobicContact CE1-CD1 4.33Å; Y73-Y169 HydrophobicContact CE1-CE1 4.32Å; I103-Y169 HydrophobicContact CD1-CD1 4.23Å; I103-Y169 HydrophobicContact CD1-CE1 4.45Å; I103-Y169 HydrophobicContact CD1-CG 4.4Å; I103-Y169 HydrophobicContact CG2-CD1 4.36Å; I103-Y169 HydrophobicContact CG2-CD2 3.3Å; I103-Y169 HydrophobicContact CG2-CE2 3.88Å; I103-Y169 HydrophobicContact CG2-CG 3.58Å; Y128-Y169 HydrophobicContact CE1-CE2 4.27Å; Y128-Y169 VanDerWaalsContact OH-CE2 3.26Å; Y128-Y169 WeakPolarHBondContact OH-CE2 3.41Å; R137-Y169 HydrophobicContact CB-CE2 4.33Å; R137-Y169 HydrophobicContact CG-CE2 3.94Å; K138-Y169 PolarHBondContact O-N 3.44Å; M140-Y169 PolarHBondContact N-O 3.5Å; L158-Y169 CarbonylContact O-C 3.58Å; L158-Y169 WeakPolarHBondContact O-CA 2.98Å; E159-Y169 HydrophobicContact CB-CD1 3.99Å; E159-Y169 HydrophobicContact CB-CE1 3.9Å; E159-Y169 VanDerWaalsContact CD-CZ 3.48Å; E159-Y169 VanDerWaalsContact CD-OH 3.26Å; E159-Y169 HydrophobicContact CG-CD1 3.89Å; E159-Y169 HydrophobicContact CG-CE1 3.37Å; E159-Y169 HydrophobicContact CG-CE2 4.43Å; E159-Y169 PolarHBondContact OE1-OH 3.24Å; E159-Y169 VanDerWaalsContact OE2-CE1 3.31Å; E159-Y169 WeakPolarHBondContact OE2-CE1 3.48Å; Y169-F171 VanDerWaalsContact CB-CE2 3.43Å; Y169-F171 HydrophobicContact CD1-CZ 4.36Å; Y169-F171 HydrophobicContact CG-CE2 4.48Å; Y169-F171 HydrophobicContact CG-CZ 4.37Å
170	L	96.6	Very high	90.5	Very high	41 Å²	41	52 Å²	52	22%	0.215	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	123.7	175.5	-177.1	65.5	0	0	0	109.6	M140 I157 L158 F168	M140-L170 HydrophobicContact CB-CD1 4.02Å; M140-L170 CarbonylContact O-C 3.17Å; M140-L170 WeakPolarHBondContact O-CA 3.34Å; I157-L170 HydrophobicContact CB-CD2 4.25Å; I157-L170 HydrophobicContact CB-CG 4.22Å; I157-L170 HydrophobicContact CG2-CD2 4.06Å; I157-L170 PolarHBondContact N-O 2.9Å; L158-L170 HydrophobicContact CB-CB 4.17Å; L158-L170 PolarHBondContact N-O 3.37Å; L158-L170 PolarHBondContact O-N 2.59Å; F168-L170 HydrophobicContact CD2-CB 4.18Å; F168-L170 HydrophobicContact CE2-CB 4.06Å
171	F	96.9	Very high	89.8	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	149.9	175.9	-55.1	-84.8	0	0	0	110.1	Y73 V89 I103 A139 M140 I141 M142 F154 E155 V156 Y169	Y73-F171 AromaticContact CD1-CE1 3.89Å; Y73-F171 HydrophobicContact CD1-CE1 3.89Å; Y73-F171 HydrophobicContact CD1-CZ 4.04Å; Y73-F171 HydrophobicContact CG-CE1 4.18Å; V89-F171 HydrophobicContact CG1-CE2 4.01Å; V89-F171 HydrophobicContact CG1-CZ 3.92Å; I103-F171 HydrophobicContact CD1-CZ 3.95Å; A139-F171 HydrophobicContact CB-CD2 4.41Å; A139-F171 HydrophobicContact CB-CE2 3.95Å; M140-F171 PolarHBondContact O-N 3.49Å; I141-F171 HydrophobicContact CG1-CB 4.3Å; I141-F171 HydrophobicContact CG1-CD2 4.18Å; I141-F171 HydrophobicContact CG2-CB 4.45Å; M142-F171 PolarHBondContact N-O 3.18Å; F154-F171 HydrophobicContact CD2-CB 4.38Å; F154-F171 AromaticContact CE1-CD1 3.91Å; F154-F171 HydrophobicContact CE1-CD1 3.91Å; F154-F171 HydrophobicContact CE1-CE1 4.32Å; F154-F171 HydrophobicContact CE2-CB 3.47Å; F154-F171 VanDerWaalsContact CE2-CB 3.47Å; F154-F171 AromaticContact CE2-CD1 3.93Å; F154-F171 HydrophobicContact CE2-CD1 3.93Å; F154-F171 AromaticContact CE2-CG 3.8Å; F154-F171 HydrophobicContact CE2-CG 3.8Å; F154-F171 HydrophobicContact CZ-CB 3.78Å; F154-F171 AromaticContact CZ-CD1 3.29Å; F154-F171 HydrophobicContact CZ-CD1 3.29Å; F154-F171 HydrophobicContact CZ-CD2 4.34Å; F154-F171 AromaticContact CZ-CE1 3.94Å; F154-F171 HydrophobicContact CZ-CE1 3.94Å; F154-F171 AromaticContact CZ-CG 3.54Å; F154-F171 HydrophobicContact CZ-CG 3.54Å; E155-F171 CarbonylContact O-C 3.58Å; E155-F171 VanDerWaalsContact O-CA 3.26Å; E155-F171 WeakPolarHBondContact O-CA 3.34Å; V156-F171 HydrophobicContact CB-CD1 4.3Å; V156-F171 HydrophobicContact CB-CE1 4.31Å; V156-F171 HydrophobicContact CG1-CD1 4.26Å; V156-F171 HydrophobicContact CG1-CE1 3.98Å; V156-F171 HydrophobicContact CG2-CD1 3.93Å; V156-F171 HydrophobicContact CG2-CE1 3.77Å; Y169-F171 VanDerWaalsContact CB-CE2 3.43Å; Y169-F171 HydrophobicContact CD1-CZ 4.36Å; Y169-F171 HydrophobicContact CG-CE2 4.48Å; Y169-F171 HydrophobicContact CG-CZ 4.37Å
172	E	95.8	Very high	88.9	Confident	76 Å²	76	56.9 Å²	56.9	36%	0.355	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	140.8	173.2	-174.5	167	-172	0	0	109.7	M142 F154 E155 I157	M142-E172 CarbonylContact O-C 3.58Å; M142-E172 WeakPolarHBondContact O-CA 3.27Å; F154-E172 WeakPolarHBondContact CA-O 3.34Å; E155-E172 PolarHBondContact N-O 2.86Å; E155-E172 PolarHBondContact O-N 3.38Å; I157-E172 HydrophobicContact CD1-CB 3.79Å; I157-E172 WeakPolarHBondContact CD1-OE2 3.3Å; I157-E172 HydrophobicContact CG1-CB 3.61Å
173	L	95	Very high	87.7	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	131.3	176.6	177.2	63	0	0	0	109.8	L55 L60 F75 I141 M142 I143 S144 F154	L55-L173 HydrophobicContact CD1-CD2 4.35Å; L60-L173 HydrophobicContact CD1-CD1 3.69Å; L60-L173 HydrophobicContact CD1-CD2 3.53Å; L60-L173 HydrophobicContact CD1-CG 4.27Å; F75-L173 HydrophobicContact CD1-CD2 4.45Å; F75-L173 HydrophobicContact CE1-CD2 3.92Å; I141-L173 HydrophobicContact CG2-CB 4.43Å; M142-L173 PolarHBondContact O-N 3.22Å; I143-L173 CarbonylContact C-O 3.59Å; I143-L173 WeakPolarHBondContact CA-O 3.29Å; I143-L173 HydrophobicContact CD1-CD2 4.5Å; I143-L173 HydrophobicContact CG1-CB 4.39Å; I143-L173 HydrophobicContact CG1-CD2 4.35Å; I143-L173 HydrophobicContact CG2-CD2 4.46Å; I143-L173 HydrophobicContact CG2-CG 4.47Å; S144-L173 PolarHBondContact N-O 2.95Å; F154-L173 HydrophobicContact CB-CD1 4.23Å; F154-L173 HydrophobicContact CD2-CB 4.4Å
174	D	93.1	Very high	86.3	Confident	48 Å²	48	56.1 Å²	56.1	26%	0.257	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	139.2	171	-85.8	-10.4	0	0	0	111.6	N146 G152	N146-D174 HydrophobicContact CB-CB 3.77Å; N146-D174 PolarHBondContact ND2-OD2 3.24Å; G152-D174 WeakPolarHBondContact CA-O 3.43Å; G152-D174 PolarHBondContact N-O 3.23Å
175	S	91.6	Very high	85.5	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	142	171.2	179.5	0	0	0	0	113.8	L55 S144 C145 N146 E150 A177	L55-S175 WeakPolarHBondContact CD2-OG 3.09Å; S144-S175 PolarHBondContact O-N 3.11Å; C145-S175 WeakPolarHBondContact CA-O 3.37Å; N146-S175 PolarHBondContact N-O 2.94Å; N146-S175 CarbonylContact O-C 3.53Å; E150-S175 WeakPolarHBondContact O-CB 3.48Å; E150-S175 PolarHBondContact O-OG 3.47Å; S175-A177 PolarHBondContact O-N 3.06Å; S175-A177 WeakPolarHBondContact OG-CB 3.37Å; S175-A177 PolarHBondContact OG-N 3.4Å
176	S	90.3	Very high	84.9	Confident	46 Å²	46	55.3 Å²	55.3	32%	0.322	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-71.1	-18	171.1	69.8	0	0	0	0	113.3	N146 T149 E150 V178 C179	N146-S176 WeakPolarHBondContact O-CA 3.45Å; N146-S176 VanDerWaalsContact O-CB 3.3Å; N146-S176 WeakPolarHBondContact O-CB 3.37Å; N146-S176 PolarHBondContact O-N 2.73Å; N146-S176 VanDerWaalsContact O-N 3.12Å; T149-S176 VanDerWaalsContact O-CB 3.29Å; T149-S176 WeakPolarHBondContact O-CB 3.03Å; T149-S176 PolarHBondContact O-N 3.5Å; T149-S176 PolarHBondContact O-OG 3.49Å; E150-S176 WeakPolarHBondContact CA-OG 3.43Å; S176-V178 VanDerWaalsContact C-N 3.26Å; S176-V178 PolarHBondContact O-N 2.85Å; S176-C179 VanDerWaalsContact O-CB 3.3Å; S176-C179 WeakPolarHBondContact O-CB 3.33Å; S176-C179 PolarHBondContact O-N 3.35Å; S176-C179 VanDerWaalsContact O-N 3.14Å
177	A	86.8	Confident	84.5	Confident	25 Å²	25	54.3 Å²	54.3	21%	0.207	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-65.5	-30.2	-179.8	0	0	0	0	0	112.7	P54 L55 S175 C179	P54-A177 HydrophobicContact CB-CB 3.99Å; P54-A177 HydrophobicContact CG-CB 3.95Å; L55-A177 HydrophobicContact CG-CB 4.27Å; S175-A177 PolarHBondContact O-N 3.06Å; S175-A177 WeakPolarHBondContact OG-CB 3.37Å; S175-A177 PolarHBondContact OG-N 3.4Å; A177-C179 VanDerWaalsContact C-N 3.33Å
178	V	90.1	Very high	84.2	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-84	-13.8	178.9	-177.3	0	0	0	0	111.7	R51 L52 V118 I143 S176	R51-V178 PolarHBondContact NH2-O 3.11Å; L52-V178 HydrophobicContact CD2-CG2 3.38Å; V118-V178 HydrophobicContact CB-CG1 4.37Å; V118-V178 HydrophobicContact CB-CG2 4.48Å; V118-V178 HydrophobicContact CG2-CG1 3.72Å; V118-V178 HydrophobicContact CG2-CG2 4.21Å; I143-V178 HydrophobicContact CB-CG2 4.2Å; I143-V178 HydrophobicContact CG2-CG2 3.55Å; S176-V178 VanDerWaalsContact C-N 3.26Å; S176-V178 PolarHBondContact O-N 2.85Å
179	C	89.4	Confident	83.8	Confident	21 Å²	21	57.8 Å²	57.8	14%	0.142	35%	0.349	C	S	.	.	S	Bend	trans	-62	136.4	-178	-68.3	0	0	0	0	112.1	C145 K147 S176 A177	C145-C179 VanDerWaalsContact CA-SG 3.5Å; C145-C179 HydrophobicContact CB-CB 4.01Å; C145-C179 WeakPolarHBondContact CB-SG 3.48Å; C145-C179 WeakPolarHBondContact SG-CA 3.48Å; C145-C179 WeakPolarHBondContact SG-CB 3.37Å; C145-C179 CovalentContact SG-SG 2.04Å; C145-C179 PolarHBondContact SG-SG 3.46Å; K147-C179 HydrophobicContact CG-CB 4.34Å; S176-C179 VanDerWaalsContact O-CB 3.3Å; S176-C179 WeakPolarHBondContact O-CB 3.33Å; S176-C179 PolarHBondContact O-N 3.35Å; S176-C179 VanDerWaalsContact O-N 3.14Å; A177-C179 VanDerWaalsContact C-N 3.33Å
180	P	84.1	Confident	83.4	Confident	52 Å²	52	60.2 Å²	60.2	34%	0.338	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-60.3	141.7	173.3	26	-32.7	0	0	0	108.6	S115 V182	S115-P180 WeakPolarHBondContact O-CD 3.4Å; P180-V182 PolarHBondContact O-N 2.8Å
181	P	74.2	Confident	83.2	Confident	109 Å²	109	62 Å²	62	71%	0.708	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-56.1	122.7	175.7	24.2	-32.7	0	0	0	107.6	Q183	P181-Q183 VanDerWaalsContact C-N 3.3Å; P181-Q183 PolarHBondContact O-N 2.84Å
182	V	68.3	Low	82.9	Confident	92 Å²	92	67.7 Å²	67.7	56%	0.558	40%	0.404	S	S	*	.			trans	-65.2	101.3	174.1	-172.9	0	0	0	0	105.6	K147 P180 S184	K147-V182 HydrophobicContact CD-CG2 4.48Å; P180-V182 PolarHBondContact O-N 2.8Å; V182-S184 PolarHBondContact O-N 3.36Å
183	Q	59.1	Low	82.7	Confident	147 Å²	147	70.3 Å²	70.3	69%	0.687	42%	0.42	S	S	*	.			trans	-70.7	79.6	168.4	-66.8	-175.7	21.4	0	0	106.2	P181 Q185	P181-Q183 VanDerWaalsContact C-N 3.3Å; P181-Q183 PolarHBondContact O-N 2.84Å; Q183-Q185 HydrophobicContact CB-CG 4.27Å; Q183-Q185 PolarHBondContact O-N 2.71Å
184	S	57.5	Low	82.5	Confident	105 Å²	105	74.7 Å²	74.7	73%	0.734	44%	0.443	S	S	*	.			trans	-70.2	61.9	165.6	-62.3	0	0	0	0	108.1	V182 L186	V182-S184 PolarHBondContact O-N 3.36Å; S184-L186 PolarHBondContact O-N 2.94Å
185	Q	65.4	Low	82.5	Confident	153 Å²	153	76.6 Å²	76.6	72%	0.715	45%	0.452	S	S	*	.			trans	-84.5	109.6	170.5	-67.9	-165.5	18	0	0	106.2	Q183 S187	Q183-Q185 HydrophobicContact CB-CG 4.27Å; Q183-Q185 PolarHBondContact O-N 2.71Å; Q185-S187 PolarHBondContact O-N 3.29Å
186	L	73.8	Confident	82.5	Confident	112 Å²	112	78.2 Å²	78.2	59%	0.586	47%	0.469	S	S	*	.			trans	-53	133.7	163.6	-68.8	170.9	0	0	0	107.6	S184 A188 I191 I194	S184-L186 PolarHBondContact O-N 2.94Å; L186-A188 PolarHBondContact O-N 3.49Å; L186-I191 HydrophobicContact CB-CD1 4.3Å; L186-I191 HydrophobicContact CB-CG1 3.91Å; L186-I194 HydrophobicContact CD1-CD1 4.47Å
187	S	82.4	Confident	82.6	Confident	80 Å²	80	83.5 Å²	83.5	56%	0.559	49%	0.486	S	S	*	.			trans	-52.7	139.6	175	175	0	0	0	0	109.4	Q185 G189 S190 I191	Q185-S187 PolarHBondContact O-N 3.29Å; S187-G189 PolarHBondContact O-N 2.93Å; S187-G189 PolarHBondContact OG-N 3.35Å; S187-S190 WeakPolarHBondContact O-CA 3.2Å; S187-S190 WeakPolarHBondContact O-CB 3.33Å; S187-S190 PolarHBondContact O-N 3.39Å; S187-I191 PolarHBondContact O-N 3.31Å; S187-I191 VanDerWaalsContact O-N 3.11Å
188	A	85.8	Confident	83	Confident	69 Å²	69	85.6 Å²	85.6	57%	0.57	50%	0.499	S	S	*	.	H	α-helix	trans	-52	-34.3	177.9	0	0	0	0	0	111.7	L186 I191 I192	L186-A188 PolarHBondContact O-N 3.49Å; A188-I191 PolarHBondContact O-N 2.91Å; A188-I192 WeakPolarHBondContact O-CG1 3.5Å; A188-I192 PolarHBondContact O-N 3.1Å; A188-I192 VanDerWaalsContact O-N 3.09Å
189	G	87.4	Confident	83.2	Confident	36 Å²	36	92.8 Å²	92.8	37%	0.371	53%	0.53	S	S	.	.	H	α-helix	trans	-61.7	-44.7	173.2	0	0	0	0	0	113.1	S187 I191 I192 L193	S187-G189 PolarHBondContact O-N 2.93Å; S187-G189 PolarHBondContact OG-N 3.35Å; G189-I191 VanDerWaalsContact C-N 3.31Å; G189-I191 PolarHBondContact O-N 3.09Å; G189-I192 PolarHBondContact O-N 2.97Å; G189-L193 WeakPolarHBondContact O-CG 3.34Å; G189-L193 PolarHBondContact O-N 3.42Å
190	S	88.4	Confident	83.3	Confident	52 Å²	52	94.2 Å²	94.2	36%	0.364	54%	0.538	S	S	.	.	H	α-helix	trans	-62.9	-38.6	176.8	-54.7	0	0	0	0	111.9	S187 L193 I194	S187-S190 WeakPolarHBondContact O-CA 3.2Å; S187-S190 WeakPolarHBondContact O-CB 3.33Å; S187-S190 PolarHBondContact O-N 3.39Å; S190-L193 PolarHBondContact O-N 3.07Å; S190-I194 WeakPolarHBondContact O-CD1 3.33Å; S190-I194 WeakPolarHBondContact O-CG1 3.42Å; S190-I194 PolarHBondContact O-N 2.97Å
191	I	90.6	Very high	83.6	Confident	79 Å²	79	93.2 Å²	93.2	41%	0.405	53%	0.534	S	S	.	.	H	α-helix	trans	-62.7	-46.9	177.2	-61.6	171.6	0	0	0	110.5	L186 S187 A188 G189 L193 I194 I195	L186-I191 HydrophobicContact CB-CD1 4.3Å; L186-I191 HydrophobicContact CB-CG1 3.91Å; S187-I191 PolarHBondContact O-N 3.31Å; S187-I191 VanDerWaalsContact O-N 3.11Å; A188-I191 PolarHBondContact O-N 2.91Å; G189-I191 VanDerWaalsContact C-N 3.31Å; G189-I191 PolarHBondContact O-N 3.09Å; I191-L193 PolarHBondContact O-N 3.36Å; I191-I194 PolarHBondContact O-N 3.48Å; I191-I195 HydrophobicContact CG2-CD1 3.96Å; I191-I195 WeakPolarHBondContact O-CG1 3.27Å; I191-I195 PolarHBondContact O-N 3.31Å
192	I	91.3	Very high	84.6	Confident	119 Å²	119	93 Å²	93	61%	0.61	53%	0.531	S	S	*	.	H	α-helix	trans	-62.3	-43	178.1	-67.1	167.2	0	0	0	111	A188 G189 I195 G196	A188-I192 WeakPolarHBondContact O-CG1 3.5Å; A188-I192 PolarHBondContact O-N 3.1Å; A188-I192 VanDerWaalsContact O-N 3.09Å; G189-I192 PolarHBondContact O-N 2.97Å; I192-I195 PolarHBondContact O-N 3.02Å; I192-G196 PolarHBondContact O-N 2.92Å
193	L	91.1	Very high	85.7	Confident	131 Å²	131	93.1 Å²	93.1	69%	0.686	52%	0.522	S	S	*	.	H	α-helix	trans	-62.6	-43.2	177.9	-72.7	174.9	0	0	0	112.3	G189 S190 I191 I195 G196 F197	G189-L193 WeakPolarHBondContact O-CG 3.34Å; G189-L193 PolarHBondContact O-N 3.42Å; S190-L193 PolarHBondContact O-N 3.07Å; I191-L193 PolarHBondContact O-N 3.36Å; L193-I195 VanDerWaalsContact C-N 3.35Å; L193-I195 PolarHBondContact O-N 2.94Å; L193-G196 PolarHBondContact O-N 3.31Å; L193-F197 WeakPolarHBondContact O-CB 3.45Å; L193-F197 PolarHBondContact O-N 2.89Å
194	I	92	Very high	87.2	Confident	93 Å²	93	88.3 Å²	88.3	48%	0.477	50%	0.5	S	S	.	.	H	α-helix	trans	-60.8	-46.4	176.8	-68.4	162.4	0	0	0	110.2	L186 S190 I191 F197 C198	L186-I194 HydrophobicContact CD1-CD1 4.47Å; S190-I194 WeakPolarHBondContact O-CD1 3.33Å; S190-I194 WeakPolarHBondContact O-CG1 3.42Å; S190-I194 PolarHBondContact O-N 2.97Å; I191-I194 PolarHBondContact O-N 3.48Å; I194-F197 PolarHBondContact O-N 3.22Å; I194-C198 PolarHBondContact O-N 2.88Å; I194-C198 PolarHBondContact O-SG 2.92Å
195	I	93.1	Very high	88.8	Confident	88 Å²	88	88.4 Å²	88.4	45%	0.451	49%	0.491	S	S	.	.	H	α-helix	trans	-61.8	-46.8	178.1	-68	168	0	0	0	110.9	I191 I192 L193 F197 C198 F199	I191-I195 HydrophobicContact CG2-CD1 3.96Å; I191-I195 WeakPolarHBondContact O-CG1 3.27Å; I191-I195 PolarHBondContact O-N 3.31Å; I192-I195 PolarHBondContact O-N 3.02Å; L193-I195 VanDerWaalsContact C-N 3.35Å; L193-I195 PolarHBondContact O-N 2.94Å; I195-F197 VanDerWaalsContact C-N 3.33Å; I195-F197 PolarHBondContact O-N 2.84Å; I195-C198 WeakPolarHBondContact O-CB 3.45Å; I195-C198 PolarHBondContact O-N 2.88Å; I195-F199 HydrophobicContact CG2-CD2 3.81Å; I195-F199 HydrophobicContact CG2-CE2 3.51Å; I195-F199 VanDerWaalsContact O-CD2 3.27Å; I195-F199 WeakPolarHBondContact O-CD2 3.36Å; I195-F199 PolarHBondContact O-N 2.91Å; I195-F199 VanDerWaalsContact O-N 3.1Å
196	G	92.2	Very high	90	Very high	34 Å²	34	82.9 Å²	82.9	35%	0.351	48%	0.476	S	S	.	.	H	α-helix	trans	-58.8	-44.4	177.3	0	0	0	0	0	112.2	I192 L193 C198 F199 V200	I192-G196 PolarHBondContact O-N 2.92Å; L193-G196 PolarHBondContact O-N 3.31Å; G196-C198 PolarHBondContact O-N 3.41Å; G196-F199 PolarHBondContact O-N 2.67Å; G196-V200 WeakPolarHBondContact O-CG2 3.31Å; G196-V200 PolarHBondContact O-N 3.42Å
197	F	92.3	Very high	90.6	Very high	156 Å²	156	78.4 Å²	78.4	68%	0.684	46%	0.456	S	S	*	.	H	α-helix	trans	-61.8	-41.2	177	-174.6	-98.7	0	0	0	112.3	L193 I194 I195 F199 V200 A201	L193-F197 WeakPolarHBondContact O-CB 3.45Å; L193-F197 PolarHBondContact O-N 2.89Å; I194-F197 PolarHBondContact O-N 3.22Å; I195-F197 VanDerWaalsContact C-N 3.33Å; I195-F197 PolarHBondContact O-N 2.84Å; F197-F199 PolarHBondContact O-N 2.95Å; F197-V200 PolarHBondContact O-N 3.1Å; F197-A201 WeakPolarHBondContact O-CB 3.4Å; F197-A201 PolarHBondContact O-N 3.33Å
198	C	94.5	Very high	90.9	Very high	70 Å²	70	76.8 Å²	76.8	47%	0.473	44%	0.44	S	S	.	.	H	α-helix	trans	-60.8	-42.4	174.8	-69.9	0	0	0	0	112.4	I194 I195 G196 A201 V202	I194-C198 PolarHBondContact O-N 2.88Å; I194-C198 PolarHBondContact O-SG 2.92Å; I195-C198 WeakPolarHBondContact O-CB 3.45Å; I195-C198 PolarHBondContact O-N 2.88Å; G196-C198 PolarHBondContact O-N 3.41Å; C198-A201 PolarHBondContact O-N 3.49Å; C198-V202 WeakPolarHBondContact O-CG2 3.47Å; C198-V202 PolarHBondContact O-N 3.28Å
199	F	94.4	Very high	91	Very high	150 Å²	150	77.5 Å²	77.5	66%	0.658	43%	0.433	S	S	*	.	H	α-helix	trans	-64.4	-43.4	176.6	-78.7	-61.3	0	0	0	112.3	I195 G196 F197 A201 V202 Y203	I195-F199 HydrophobicContact CG2-CD2 3.81Å; I195-F199 HydrophobicContact CG2-CE2 3.51Å; I195-F199 VanDerWaalsContact O-CD2 3.27Å; I195-F199 WeakPolarHBondContact O-CD2 3.36Å; I195-F199 PolarHBondContact O-N 2.91Å; I195-F199 VanDerWaalsContact O-N 3.1Å; G196-F199 PolarHBondContact O-N 2.67Å; F197-F199 PolarHBondContact O-N 2.95Å; F199-A201 VanDerWaalsContact C-N 3.34Å; F199-A201 PolarHBondContact O-N 3.3Å; F199-V202 PolarHBondContact O-N 3.47Å; F199-Y203 WeakPolarHBondContact O-CB 3.39Å; F199-Y203 PolarHBondContact O-N 3.36Å
200	V	91.4	Very high	91	Very high	51 Å²	51	82.1 Å²	82.1	31%	0.309	44%	0.441	S	S	.	.	H	α-helix	trans	-60.4	-44	175.2	171	0	0	0	0	111	G196 F197 V202 Y203 L204 W229	G196-V200 WeakPolarHBondContact O-CG2 3.31Å; G196-V200 PolarHBondContact O-N 3.42Å; F197-V200 PolarHBondContact O-N 3.1Å; V200-V202 PolarHBondContact O-N 3.07Å; V200-Y203 WeakPolarHBondContact O-CB 3.44Å; V200-Y203 PolarHBondContact O-N 3.24Å; V200-L204 HydrophobicContact CG1-CD1 3.77Å; V200-L204 HydrophobicContact CG1-CG 4.17Å; V200-L204 WeakPolarHBondContact O-CB 3.4Å; V200-L204 VanDerWaalsContact O-CG 3.31Å; V200-L204 WeakPolarHBondContact O-CG 3.48Å; V200-L204 PolarHBondContact O-N 3.44Å; V200-W229 HydrophobicContact CB-CH2 4.38Å; V200-W229 HydrophobicContact CG1-CH2 3.42Å; V200-W229 VanDerWaalsContact CG1-CH2 3.42Å; V200-W229 HydrophobicContact CG1-CZ2 4.11Å; V200-W229 HydrophobicContact CG1-CZ3 4.01Å; V200-W229 HydrophobicContact CG2-CH2 4.08Å
201	A	90.9	Very high	90.8	Very high	31 Å²	31	81.9 Å²	81.9	26%	0.256	43%	0.433	S	S	.	.	H	α-helix	trans	-62	-44.8	178.3	0	0	0	0	0	112.4	F197 C198 F199 Y203 L204 I205	F197-A201 WeakPolarHBondContact O-CB 3.4Å; F197-A201 PolarHBondContact O-N 3.33Å; C198-A201 PolarHBondContact O-N 3.49Å; F199-A201 VanDerWaalsContact C-N 3.34Å; F199-A201 PolarHBondContact O-N 3.3Å; A201-Y203 VanDerWaalsContact C-N 3.32Å; A201-Y203 PolarHBondContact O-N 3.37Å; A201-L204 PolarHBondContact O-N 3.35Å; A201-I205 WeakPolarHBondContact O-CB 3.38Å; A201-I205 VanDerWaalsContact O-CG1 3.24Å; A201-I205 WeakPolarHBondContact O-CG1 3.4Å; A201-I205 PolarHBondContact O-N 3.02Å
202	V	94.7	Very high	90.4	Very high	105 Å²	105	84.9 Å²	84.9	64%	0.636	44%	0.44	S	S	*	.	H	α-helix	trans	-63.6	-40.5	176.3	172.9	0	0	0	0	111.1	C198 F199 V200 G206	C198-V202 WeakPolarHBondContact O-CG2 3.47Å; C198-V202 PolarHBondContact O-N 3.28Å; F199-V202 PolarHBondContact O-N 3.47Å; V200-V202 PolarHBondContact O-N 3.07Å; V202-G206 WeakPolarHBondContact O-CA 3.45Å; V202-G206 PolarHBondContact O-N 3.43Å
203	Y	91.4	Very high	90	Very high	95 Å²	95	85.6 Å²	85.6	37%	0.373	44%	0.444	S	S	.	.	H	α-helix	trans	-62.5	-48.2	176.2	172.1	-102.1	0	0	0	112.1	F199 V200 A201 G207 P224 N225 W229	F199-Y203 WeakPolarHBondContact O-CB 3.39Å; F199-Y203 PolarHBondContact O-N 3.36Å; V200-Y203 WeakPolarHBondContact O-CB 3.44Å; V200-Y203 PolarHBondContact O-N 3.24Å; A201-Y203 VanDerWaalsContact C-N 3.32Å; A201-Y203 PolarHBondContact O-N 3.37Å; Y203-G207 WeakPolarHBondContact O-CA 3.34Å; Y203-G207 PolarHBondContact O-N 3.07Å; Y203-P224 HydrophobicContact CE1-CB 3.76Å; Y203-P224 HydrophobicContact CE1-CG 4.47Å; Y203-P224 HydrophobicContact CE2-CB 4.24Å; Y203-P224 VanDerWaalsContact OH-CB 3.23Å; Y203-P224 WeakPolarHBondContact OH-CB 3.36Å; Y203-N225 PolarHBondContact OH-ND2 3.46Å; Y203-W229 HydrophobicContact CD1-CZ2 4.05Å; Y203-W229 HydrophobicContact CE1-CZ2 4.02Å
204	L	90	Very high	89.7	Confident	45 Å²	45	85 Å²	85	24%	0.236	44%	0.44	C	S	.	.	H	α-helix	trans	-64.7	-49.3	179.1	-70.6	175.4	0	0	0	111.6	V200 A201 F208 F223 W229	V200-L204 HydrophobicContact CG1-CD1 3.77Å; V200-L204 HydrophobicContact CG1-CG 4.17Å; V200-L204 WeakPolarHBondContact O-CB 3.4Å; V200-L204 VanDerWaalsContact O-CG 3.31Å; V200-L204 WeakPolarHBondContact O-CG 3.48Å; V200-L204 PolarHBondContact O-N 3.44Å; A201-L204 PolarHBondContact O-N 3.35Å; L204-F208 WeakPolarHBondContact O-CB 3.45Å; L204-F208 PolarHBondContact O-N 2.89Å; L204-F223 HydrophobicContact CD2-CD1 4.41Å; L204-W229 HydrophobicContact CD2-CD2 4.42Å; L204-W229 HydrophobicContact CD2-CZ2 3.99Å; L204-W229 HydrophobicContact CG-CZ2 4.41Å
205	I	90.8	Very high	89.3	Confident	107 Å²	107	85 Å²	85	55%	0.549	45%	0.445	S	S	.	.	H	α-helix	trans	-67.6	-47.5	-178.8	-64.6	167.2	0	0	0	110.7	A201 F208 L209	A201-I205 WeakPolarHBondContact O-CB 3.38Å; A201-I205 VanDerWaalsContact O-CG1 3.24Å; A201-I205 WeakPolarHBondContact O-CG1 3.4Å; A201-I205 PolarHBondContact O-N 3.02Å; I205-F208 PolarHBondContact O-N 3.22Å; I205-L209 HydrophobicContact CG2-CD1 4.1Å; I205-L209 WeakPolarHBondContact O-CB 3.24Å; I205-L209 VanDerWaalsContact O-CG 3.29Å; I205-L209 WeakPolarHBondContact O-CG 3.25Å; I205-L209 PolarHBondContact O-N 3.45Å
206	G	90.7	Very high	88.6	Confident	38 Å²	38	83.2 Å²	83.2	39%	0.392	45%	0.448	S	S	.	.	H	α-helix	trans	-64.5	-45.4	-179.2	0	0	0	0	0	112	V202 L209 Y210	V202-G206 WeakPolarHBondContact O-CA 3.45Å; V202-G206 PolarHBondContact O-N 3.43Å; G206-L209 PolarHBondContact O-N 3.02Å; G206-Y210 WeakPolarHBondContact O-CB 3.46Å; G206-Y210 PolarHBondContact O-N 3.28Å
207	G	87.8	Confident	88	Confident	17 Å²	17	82.8 Å²	82.8	18%	0.175	44%	0.441	C	S	.	.	H	α-helix	trans	-69.5	-35.2	177.4	0	0	0	0	0	113	Y203 Y210 Q211 P224	Y203-G207 WeakPolarHBondContact O-CA 3.34Å; Y203-G207 PolarHBondContact O-N 3.07Å; G207-Y210 PolarHBondContact O-N 3.24Å; G207-Q211 WeakPolarHBondContact O-CG 3.23Å; G207-Q211 PolarHBondContact O-N 3.29Å; G207-P224 VanDerWaalsContact CA-CG 3.44Å
208	F	87.4	Confident	87.2	Confident	47 Å²	47	84.3 Å²	84.3	21%	0.206	45%	0.448	C	S	.	.	H	α-helix	trans	-61.1	-47.6	171.1	177.2	-93.4	0	0	0	112	L204 I205 Y210 Q211 R212 Q222	L204-F208 WeakPolarHBondContact O-CB 3.45Å; L204-F208 PolarHBondContact O-N 2.89Å; I205-F208 PolarHBondContact O-N 3.22Å; F208-Y210 VanDerWaalsContact C-N 3.31Å; F208-Y210 PolarHBondContact O-N 2.89Å; F208-Q211 PolarHBondContact O-N 3.37Å; F208-R212 WeakPolarHBondContact O-CB 3.48Å; F208-R212 PolarHBondContact O-N 2.98Å; F208-Q222 WeakPolarHBondContact CA-O 3.4Å; F208-Q222 HydrophobicContact CD2-CB 3.71Å; F208-Q222 WeakPolarHBondContact CD2-O 3.05Å; F208-Q222 HydrophobicContact CE2-CB 3.62Å; F208-Q222 HydrophobicContact CE2-CG 4.38Å; F208-Q222 VanDerWaalsContact CE2-OE1 3.3Å
209	L	87.5	Confident	86.4	Confident	84 Å²	84	83.3 Å²	83.3	44%	0.44	45%	0.449	S	S	.	.	H	α-helix	trans	-62.3	-39.5	176	-71.2	173.9	0	0	0	111.6	I205 G206 L213	I205-L209 HydrophobicContact CG2-CD1 4.1Å; I205-L209 WeakPolarHBondContact O-CB 3.24Å; I205-L209 VanDerWaalsContact O-CG 3.29Å; I205-L209 WeakPolarHBondContact O-CG 3.25Å; I205-L209 PolarHBondContact O-N 3.45Å; G206-L209 PolarHBondContact O-N 3.02Å; L209-L213 HydrophobicContact CD2-CD1 4.43Å; L209-L213 VanDerWaalsContact O-CB 3.23Å; L209-L213 WeakPolarHBondContact O-CB 3.47Å; L209-L213 VanDerWaalsContact O-CG 3.31Å; L209-L213 WeakPolarHBondContact O-CG 3.44Å; L209-L213 PolarHBondContact O-N 3.31Å
210	Y	88.3	Confident	85.4	Confident	133 Å²	133	81.8 Å²	81.8	52%	0.522	45%	0.445	S	S	.	.	H	α-helix	trans	-62.5	-52.3	177.1	-177.9	-89.1	0	0	0	111.7	G206 G207 F208 R212 I214 V215	G206-Y210 WeakPolarHBondContact O-CB 3.46Å; G206-Y210 PolarHBondContact O-N 3.28Å; G207-Y210 PolarHBondContact O-N 3.24Å; F208-Y210 VanDerWaalsContact C-N 3.31Å; F208-Y210 PolarHBondContact O-N 2.89Å; Y210-R212 VanDerWaalsContact C-N 3.29Å; Y210-R212 PolarHBondContact O-N 3.02Å; Y210-I214 HydrophobicContact CD2-CD1 3.4Å; Y210-I214 VanDerWaalsContact CD2-CD1 3.4Å; Y210-I214 HydrophobicContact CD2-CG1 4.49Å; Y210-I214 HydrophobicContact CE2-CB 4.43Å; Y210-I214 HydrophobicContact CE2-CD1 3.51Å; Y210-I214 HydrophobicContact CE2-CG2 4.36Å; Y210-I214 HydrophobicContact CG-CD1 4.26Å; Y210-I214 WeakPolarHBondContact O-CB 3.41Å; Y210-I214 PolarHBondContact O-N 3.44Å; Y210-V215 HydrophobicContact CD1-CG2 4.15Å; Y210-V215 HydrophobicContact CE1-CG2 3.74Å; Y210-V215 PolarHBondContact O-N 3.29Å
211	Q	83.3	Confident	84.7	Confident	46 Å²	46	85.8 Å²	85.8	22%	0.215	46%	0.46	C	S	.	.	I	π-helix	trans	-65.3	-34	-179.1	-71.8	-177.2	-16	0	0	112.2	G207 F208 V215 G216 A217 E221 Q222	G207-Q211 WeakPolarHBondContact O-CG 3.23Å; G207-Q211 PolarHBondContact O-N 3.29Å; F208-Q211 PolarHBondContact O-N 3.37Å; Q211-V215 CarbonylContact O-C 3.59Å; Q211-G216 PolarHBondContact O-N 3.07Å; Q211-A217 PolarHBondContact O-N 3.02Å; Q211-A217 VanDerWaalsContact O-N 3.11Å; Q211-E221 PolarHBondContact OE1-O 3.48Å; Q211-Q222 VanDerWaalsContact OE1-CA 3.24Å; Q211-Q222 PolarHBondContact OE1-O 3.38Å
212	R	83.5	Confident	84.1	Confident	142 Å²	142	85.8 Å²	85.8	54%	0.536	46%	0.455	S	S	.	.	I	π-helix	trans	-75.9	-43.8	178.2	-174.8	173.2	-180	177	1.1	113.7	F208 Y210	F208-R212 WeakPolarHBondContact O-CB 3.48Å; F208-R212 PolarHBondContact O-N 2.98Å; Y210-R212 VanDerWaalsContact C-N 3.29Å; Y210-R212 PolarHBondContact O-N 3.02Å
213	L	83	Confident	83.5	Confident	134 Å²	134	84.9 Å²	84.9	70%	0.702	44%	0.443	S	S	*	.	I	π-helix	trans	-91.2	-33	-171.4	-62.9	177	0	0	0	113.4	L209	L209-L213 HydrophobicContact CD2-CD1 4.43Å; L209-L213 VanDerWaalsContact O-CB 3.23Å; L209-L213 WeakPolarHBondContact O-CB 3.47Å; L209-L213 VanDerWaalsContact O-CG 3.31Å; L209-L213 WeakPolarHBondContact O-CG 3.44Å; L209-L213 PolarHBondContact O-N 3.31Å
214	I	85.5	Confident	83	Confident	118 Å²	118	80.8 Å²	80.8	61%	0.605	43%	0.428	S	S	*	.	I	π-helix	trans	-101.9	-47.8	-174.5	-63.9	165.4	0	0	0	110.7	Y210	Y210-I214 HydrophobicContact CD2-CD1 3.4Å; Y210-I214 VanDerWaalsContact CD2-CD1 3.4Å; Y210-I214 HydrophobicContact CD2-CG1 4.49Å; Y210-I214 HydrophobicContact CE2-CB 4.43Å; Y210-I214 HydrophobicContact CE2-CD1 3.51Å; Y210-I214 HydrophobicContact CE2-CG2 4.36Å; Y210-I214 HydrophobicContact CG-CD1 4.26Å; Y210-I214 WeakPolarHBondContact O-CB 3.41Å; Y210-I214 PolarHBondContact O-N 3.44Å
215	V	83.2	Confident	82.8	Confident	94 Å²	94	83.9 Å²	83.9	57%	0.57	44%	0.444	S	S	*	.	I	π-helix	trans	-86	-22.3	-175.8	-173.5	0	0	0	0	112	Y210 Q211 A217	Y210-V215 HydrophobicContact CD1-CG2 4.15Å; Y210-V215 HydrophobicContact CE1-CG2 3.74Å; Y210-V215 PolarHBondContact O-N 3.29Å; Q211-V215 CarbonylContact O-C 3.59Å; V215-A217 VanDerWaalsContact C-N 3.28Å; V215-A217 PolarHBondContact O-N 3.22Å
216	G	78.7	Confident	82.5	Confident	50 Å²	50	83 Å²	83	52%	0.515	44%	0.435	S	S	.	.			trans	73.1	17.5	178.3	0	0	0	0	0	114.2	Q211	Q211-G216 PolarHBondContact O-N 3.07Å
217	A	78.1	Confident	82.3	Confident	26 Å²	26	84.9 Å²	84.9	22%	0.215	45%	0.447	C	S	.	.			trans	-64.3	144.4	177.9	0	0	0	0	0	111.2	Q211 V215 Q222	Q211-A217 PolarHBondContact O-N 3.02Å; Q211-A217 VanDerWaalsContact O-N 3.11Å; V215-A217 VanDerWaalsContact C-N 3.28Å; V215-A217 PolarHBondContact O-N 3.22Å; A217-Q222 WeakPolarHBondContact O-CG 3.24Å; A217-Q222 PolarHBondContact O-NE2 3.48Å
218	K	75.4	Confident	82.3	Confident	188 Å²	188	89.3 Å²	89.3	82%	0.817	46%	0.461	S	S	*	.			trans	-129.2	143.9	179.2	-69.5	-178.9	-178.7	174.1	0	109.7
219	G	79.4	Confident	82.3	Confident	48 Å²	48	90.6 Å²	90.6	50%	0.495	47%	0.465	S	S	.	.	S	Bend	trans	91.7	-154.9	-179.3	0	0	0	0	0	113.1	E221 Q222	G219-E221 PolarHBondContact O-N 3.04Å; G219-Q222 WeakPolarHBondContact O-CB 3.35Å; G219-Q222 VanDerWaalsContact O-CG 3.26Å; G219-Q222 WeakPolarHBondContact O-CG 3.35Å; G219-Q222 PolarHBondContact O-N 2.91Å
220	M	72.9	Confident	82.3	Confident	119 Å²	119	89.2 Å²	89.2	59%	0.586	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-67.5	-19.4	-175.1	-65.3	-59.1	-158.3	0	0	113.7	Q222 F223 Y226	M220-Q222 PolarHBondContact O-N 3.37Å; M220-F223 PolarHBondContact O-N 3.26Å; M220-Y226 HydrophobicContact CB-CE1 4.4Å; M220-Y226 HydrophobicContact CB-CE2 4.42Å
221	E	76.1	Confident	82.4	Confident	134 Å²	134	89.3 Å²	89.3	63%	0.626	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-69.3	3.6	173.9	-56.2	-58.6	158.1	0	0	114	Q211 G219 F223	Q211-E221 PolarHBondContact OE1-O 3.48Å; G219-E221 PolarHBondContact O-N 3.04Å; E221-F223 VanDerWaalsContact C-N 3.35Å
222	Q	77.8	Confident	82.7	Confident	31 Å²	31	89.8 Å²	89.8	15%	0.145	47%	0.471	C	S	.	.	G	3₁₀ helix	trans	-83.4	-10.6	173.6	-68.1	-178.2	-28.5	0	0	113.2	F208 Q211 A217 G219 M220	F208-Q222 WeakPolarHBondContact CA-O 3.4Å; F208-Q222 HydrophobicContact CD2-CB 3.71Å; F208-Q222 WeakPolarHBondContact CD2-O 3.05Å; F208-Q222 HydrophobicContact CE2-CB 3.62Å; F208-Q222 HydrophobicContact CE2-CG 4.38Å; F208-Q222 VanDerWaalsContact CE2-OE1 3.3Å; Q211-Q222 VanDerWaalsContact OE1-CA 3.24Å; Q211-Q222 PolarHBondContact OE1-O 3.38Å; A217-Q222 WeakPolarHBondContact O-CG 3.24Å; A217-Q222 PolarHBondContact O-NE2 3.48Å; G219-Q222 WeakPolarHBondContact O-CB 3.35Å; G219-Q222 VanDerWaalsContact O-CG 3.26Å; G219-Q222 WeakPolarHBondContact O-CG 3.35Å; G219-Q222 PolarHBondContact O-N 2.91Å; M220-Q222 PolarHBondContact O-N 3.37Å
223	F	81.8	Confident	82.9	Confident	87 Å²	87	84.8 Å²	84.8	38%	0.382	46%	0.464	S	S	.	.	S	Bend	trans	-92.4	124.5	174.8	-75	-80.6	0	0	0	110.4	L204 M220 E221 N225 Y226	L204-F223 HydrophobicContact CD2-CD1 4.41Å; M220-F223 PolarHBondContact O-N 3.26Å; E221-F223 VanDerWaalsContact C-N 3.35Å; F223-N225 PolarHBondContact O-N 3.34Å; F223-Y226 HydrophobicContact CB-CD2 4.17Å; F223-Y226 PolarHBondContact O-N 2.88Å
224	P	82.4	Confident	83.3	Confident	9 Å²	9	83 Å²	83	6%	0.058	46%	0.455	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	127.8	174.6	-22.8	32.1	0	0	0	111.2	Y203 G207 Y226 W229	Y203-P224 HydrophobicContact CE1-CB 3.76Å; Y203-P224 HydrophobicContact CE1-CG 4.47Å; Y203-P224 HydrophobicContact CE2-CB 4.24Å; Y203-P224 VanDerWaalsContact OH-CB 3.23Å; Y203-P224 WeakPolarHBondContact OH-CB 3.36Å; G207-P224 VanDerWaalsContact CA-CG 3.44Å; P224-Y226 VanDerWaalsContact C-N 3.33Å; P224-Y226 PolarHBondContact O-N 2.85Å; P224-W229 PolarHBondContact O-NE1 2.82Å
225	N	85.4	Confident	83.5	Confident	109 Å²	109	83.4 Å²	83.4	58%	0.583	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	47.6	-179.6	-63.5	-37.1	0	0	0	113	Y203 F223 A227 F228 W229	Y203-N225 PolarHBondContact OH-ND2 3.46Å; F223-N225 PolarHBondContact O-N 3.34Å; N225-A227 VanDerWaalsContact C-N 3.29Å; N225-A227 PolarHBondContact O-N 2.93Å; N225-F228 HydrophobicContact CB-CB 4.25Å; N225-F228 WeakPolarHBondContact O-CB 3.32Å; N225-F228 PolarHBondContact O-N 3.02Å; N225-F228 VanDerWaalsContact O-N 3.07Å; N225-W229 PolarHBondContact O-N 2.92Å
226	Y	84.7	Confident	83.9	Confident	89 Å²	89	82.4 Å²	82.4	35%	0.349	46%	0.455	S	S	.	.	H	α-helix	trans	-50.2	-44.3	-177.9	176.8	-106.2	0	0	0	113.8	M220 F223 P224 F228 W229 V230	M220-Y226 HydrophobicContact CB-CE1 4.4Å; M220-Y226 HydrophobicContact CB-CE2 4.42Å; F223-Y226 HydrophobicContact CB-CD2 4.17Å; F223-Y226 PolarHBondContact O-N 2.88Å; P224-Y226 VanDerWaalsContact C-N 3.33Å; P224-Y226 PolarHBondContact O-N 2.85Å; Y226-F228 VanDerWaalsContact C-N 3.29Å; Y226-F228 PolarHBondContact O-N 2.95Å; Y226-W229 PolarHBondContact O-N 3.31Å; Y226-W229 VanDerWaalsContact O-N 3.07Å; Y226-V230 HydrophobicContact CD1-CG2 4.09Å; Y226-V230 HydrophobicContact CD2-CG2 4.27Å; Y226-V230 HydrophobicContact CE1-CG2 3.59Å; Y226-V230 HydrophobicContact CE2-CG2 3.79Å; Y226-V230 HydrophobicContact CG-CG2 4.41Å; Y226-V230 VanDerWaalsContact CZ-CG2 3.41Å; Y226-V230 WeakPolarHBondContact O-CG2 3.41Å; Y226-V230 PolarHBondContact O-N 3.28Å
227	A	85.7	Confident	84.3	Confident	77 Å²	77	82.8 Å²	82.8	64%	0.636	45%	0.453	S	S	*	.	H	α-helix	trans	-56.5	-40.8	179.1	0	0	0	0	0	113	N225 V230 E231	N225-A227 VanDerWaalsContact C-N 3.29Å; N225-A227 PolarHBondContact O-N 2.93Å; A227-V230 PolarHBondContact O-N 3.44Å; A227-E231 PolarHBondContact O-N 2.96Å
228	F	88	Confident	84.6	Confident	110 Å²	110	86.7 Å²	86.7	48%	0.482	47%	0.47	S	S	.	.	H	α-helix	trans	-63.4	-43.3	176	168	-96.5	0	0	0	111.7	N225 Y226 V230 E231 V232	N225-F228 HydrophobicContact CB-CB 4.25Å; N225-F228 WeakPolarHBondContact O-CB 3.32Å; N225-F228 PolarHBondContact O-N 3.02Å; N225-F228 VanDerWaalsContact O-N 3.07Å; Y226-F228 VanDerWaalsContact C-N 3.29Å; Y226-F228 PolarHBondContact O-N 2.95Å; F228-V230 VanDerWaalsContact C-N 3.34Å; F228-V230 PolarHBondContact O-N 3.44Å; F228-E231 PolarHBondContact O-N 2.94Å; F228-V232 HydrophobicContact CD1-CG2 4.31Å; F228-V232 HydrophobicContact CD2-CG2 4.3Å; F228-V232 HydrophobicContact CE1-CG2 3.84Å; F228-V232 HydrophobicContact CE2-CG2 3.84Å; F228-V232 HydrophobicContact CZ-CG2 3.59Å; F228-V232 WeakPolarHBondContact O-CG2 3.37Å; F228-V232 PolarHBondContact O-N 2.83Å
229	W	87.1	Confident	85.1	Confident	75 Å²	75	79.4 Å²	79.4	28%	0.284	45%	0.448	S	S	.	.	H	α-helix	trans	-68.3	-33.8	179.9	-65.3	108.8	0	0	0	113	V200 Y203 L204 P224 N225 Y226 G233	V200-W229 HydrophobicContact CB-CH2 4.38Å; V200-W229 HydrophobicContact CG1-CH2 3.42Å; V200-W229 VanDerWaalsContact CG1-CH2 3.42Å; V200-W229 HydrophobicContact CG1-CZ2 4.11Å; V200-W229 HydrophobicContact CG1-CZ3 4.01Å; V200-W229 HydrophobicContact CG2-CH2 4.08Å; Y203-W229 HydrophobicContact CD1-CZ2 4.05Å; Y203-W229 HydrophobicContact CE1-CZ2 4.02Å; L204-W229 HydrophobicContact CD2-CD2 4.42Å; L204-W229 HydrophobicContact CD2-CZ2 3.99Å; L204-W229 HydrophobicContact CG-CZ2 4.41Å; P224-W229 PolarHBondContact O-NE1 2.82Å; N225-W229 PolarHBondContact O-N 2.92Å; Y226-W229 PolarHBondContact O-N 3.31Å; Y226-W229 VanDerWaalsContact O-N 3.07Å; W229-G233 PolarHBondContact O-N 3.33Å
230	V	88.8	Confident	85.3	Confident	54 Å²	54	80.5 Å²	80.5	33%	0.327	45%	0.448	S	S	.	.	H	α-helix	trans	-63.7	-45.9	172.3	172.6	0	0	0	0	110.4	Y226 A227 F228 G233 N234	Y226-V230 HydrophobicContact CD1-CG2 4.09Å; Y226-V230 HydrophobicContact CD2-CG2 4.27Å; Y226-V230 HydrophobicContact CE1-CG2 3.59Å; Y226-V230 HydrophobicContact CE2-CG2 3.79Å; Y226-V230 HydrophobicContact CG-CG2 4.41Å; Y226-V230 VanDerWaalsContact CZ-CG2 3.41Å; Y226-V230 WeakPolarHBondContact O-CG2 3.41Å; Y226-V230 PolarHBondContact O-N 3.28Å; A227-V230 PolarHBondContact O-N 3.44Å; F228-V230 VanDerWaalsContact C-N 3.34Å; F228-V230 PolarHBondContact O-N 3.44Å; V230-G233 PolarHBondContact O-N 3.38Å; V230-N234 VanDerWaalsContact O-CG 3.25Å; V230-N234 PolarHBondContact O-N 2.94Å; V230-N234 PolarHBondContact O-ND2 3.38Å
231	E	89.3	Confident	85.9	Confident	136 Å²	136	78.9 Å²	78.9	64%	0.636	44%	0.442	S	S	*	.	H	α-helix	trans	-62	-45	177.6	-171.7	177.5	-174.7	0	0	112	A227 F228 G233 N234 L235	A227-E231 PolarHBondContact O-N 2.96Å; F228-E231 PolarHBondContact O-N 2.94Å; E231-G233 VanDerWaalsContact C-N 3.31Å; E231-G233 PolarHBondContact O-N 2.87Å; E231-N234 PolarHBondContact O-N 3.48Å; E231-L235 WeakPolarHBondContact O-CB 3.38Å; E231-L235 PolarHBondContact O-N 3.03Å
232	V	89.6	Confident	86	Confident	55 Å²	55	81 Å²	81	33%	0.333	45%	0.449	S	S	.	.	H	α-helix	trans	-60.4	-41.2	174.4	171.1	0	0	0	0	111.4	F228 S236	F228-V232 HydrophobicContact CD1-CG2 4.31Å; F228-V232 HydrophobicContact CD2-CG2 4.3Å; F228-V232 HydrophobicContact CE1-CG2 3.84Å; F228-V232 HydrophobicContact CE2-CG2 3.84Å; F228-V232 HydrophobicContact CZ-CG2 3.59Å; F228-V232 WeakPolarHBondContact O-CG2 3.37Å; F228-V232 PolarHBondContact O-N 2.83Å; V232-S236 WeakPolarHBondContact O-CB 3.26Å; V232-S236 PolarHBondContact O-N 3.01Å; V232-S236 PolarHBondContact O-OG 2.87Å
233	G	88.9	Confident	86.4	Confident	38 Å²	38	85 Å²	85	39%	0.392	48%	0.475	S	S	.	.	H	α-helix	trans	-64.2	-43.9	176.8	0	0	0	0	0	112.8	W229 V230 E231 S236 A237	W229-G233 PolarHBondContact O-N 3.33Å; V230-G233 PolarHBondContact O-N 3.38Å; E231-G233 VanDerWaalsContact C-N 3.31Å; E231-G233 PolarHBondContact O-N 2.87Å; G233-S236 WeakPolarHBondContact O-CB 3.47Å; G233-S236 PolarHBondContact O-N 3.32Å; G233-A237 PolarHBondContact O-N 3.42Å
234	N	91	Very high	86.3	Confident	96 Å²	96	85.6 Å²	85.6	51%	0.513	49%	0.489	S	S	.	.	H	α-helix	trans	-62.7	-47.5	176.2	-69	-19.5	0	0	0	111	V230 E231 S236 A237 D238	V230-N234 VanDerWaalsContact O-CG 3.25Å; V230-N234 PolarHBondContact O-N 2.94Å; V230-N234 PolarHBondContact O-ND2 3.38Å; E231-N234 PolarHBondContact O-N 3.48Å; N234-S236 VanDerWaalsContact C-N 3.25Å; N234-S236 PolarHBondContact O-N 2.9Å; N234-A237 WeakPolarHBondContact O-CB 3.44Å; N234-A237 PolarHBondContact O-N 3.48Å; N234-A237 VanDerWaalsContact O-N 3.1Å; N234-D238 PolarHBondContact O-N 2.9Å
235	L	90.1	Very high	85.8	Confident	126 Å²	126	92.1 Å²	92.1	66%	0.66	51%	0.513	S	S	*	.	H	α-helix	trans	-62.1	-35.5	177.3	-169.5	69.3	0	0	0	112	E231 D238 G239	E231-L235 WeakPolarHBondContact O-CB 3.38Å; E231-L235 PolarHBondContact O-N 3.03Å; L235-D238 PolarHBondContact O-N 3.36Å; L235-G239 PolarHBondContact O-N 3.26Å
236	S	90.1	Very high	84.5	Confident	73 Å²	73	93 Å²	93	51%	0.51	53%	0.527	S	S	.	.	H	α-helix	trans	-68	-38.9	175.4	-57.4	0	0	0	0	111.8	V232 G233 N234 G239 C240	V232-S236 WeakPolarHBondContact O-CB 3.26Å; V232-S236 PolarHBondContact O-N 3.01Å; V232-S236 PolarHBondContact O-OG 2.87Å; G233-S236 WeakPolarHBondContact O-CB 3.47Å; G233-S236 PolarHBondContact O-N 3.32Å; N234-S236 VanDerWaalsContact C-N 3.25Å; N234-S236 PolarHBondContact O-N 2.9Å; S236-G239 PolarHBondContact O-N 2.88Å; S236-C240 WeakPolarHBondContact O-CB 3.29Å; S236-C240 PolarHBondContact O-N 2.92Å
237	A	87.4	Confident	83.4	Confident	58 Å²	58	94.8 Å²	94.8	48%	0.479	54%	0.537	S	S	.	.	H	α-helix	trans	-65.2	-43.2	174.9	0	0	0	0	0	111.2	G233 N234 G239 C240 D241	G233-A237 PolarHBondContact O-N 3.42Å; N234-A237 WeakPolarHBondContact O-CB 3.44Å; N234-A237 PolarHBondContact O-N 3.48Å; N234-A237 VanDerWaalsContact O-N 3.1Å; A237-G239 PolarHBondContact O-N 3.47Å; A237-C240 PolarHBondContact O-N 3.44Å; A237-D241 PolarHBondContact O-N 3.4Å
238	D	85.1	Confident	82.1	Confident	108 Å²	108	97.7 Å²	97.7	58%	0.578	54%	0.542	S	S	*	.	H	α-helix	trans	-63.2	-40.8	175.2	-69.7	-16.2	0	0	0	111.9	N234 L235 C240 D241 F242	N234-D238 PolarHBondContact O-N 2.9Å; L235-D238 PolarHBondContact O-N 3.36Å; D238-C240 VanDerWaalsContact C-N 3.35Å; D238-D241 PolarHBondContact O-N 3.28Å; D238-F242 WeakPolarHBondContact O-CB 3.22Å; D238-F242 PolarHBondContact O-N 3.05Å
239	G	86.5	Confident	80.5	Confident	35 Å²	35	104.5 Å²	104.5	36%	0.361	56%	0.564	S	S	.	*	H	α-helix	trans	-64.2	-38.7	174.1	0	0	0	0	0	112.7	L235 S236 A237 F242 V243	L235-G239 PolarHBondContact O-N 3.26Å; S236-G239 PolarHBondContact O-N 2.88Å; A237-G239 PolarHBondContact O-N 3.47Å; G239-F242 PolarHBondContact O-N 2.91Å; G239-V243 VanDerWaalsContact O-CG2 3.31Å; G239-V243 WeakPolarHBondContact O-CG2 3.38Å; G239-V243 PolarHBondContact O-N 3.3Å
240	C	83.6	Confident	78.9	Confident	72 Å²	72	109.3 Å²	109.3	49%	0.486	59%	0.59	S	S	.	*	H	α-helix	trans	-67.7	-42	174.9	-169.1	0	0	0	0	111.6	S236 A237 D238 V243 C244	S236-C240 WeakPolarHBondContact O-CB 3.29Å; S236-C240 PolarHBondContact O-N 2.92Å; A237-C240 PolarHBondContact O-N 3.44Å; D238-C240 VanDerWaalsContact C-N 3.35Å; C240-V243 PolarHBondContact O-N 2.94Å; C240-C244 WeakPolarHBondContact O-CB 3.31Å; C240-C244 PolarHBondContact O-N 3.21Å; C240-C244 PolarHBondContact O-SG 2.83Å
241	D	83.7	Confident	77.2	Confident	85 Å²	85	113 Å²	113	46%	0.455	60%	0.604	S	S	.	*	H	α-helix	trans	-61.5	-45.3	174.5	-167.2	62.1	0	0	0	110.2	A237 D238 V243 R245	A237-D241 PolarHBondContact O-N 3.4Å; D238-D241 PolarHBondContact O-N 3.28Å; D241-V243 PolarHBondContact O-N 3.44Å; D241-R245 WeakPolarHBondContact O-CA 3.23Å; D241-R245 WeakPolarHBondContact O-CB 3.42Å; D241-R245 PolarHBondContact O-N 2.97Å; D241-R245 WeakPolarHBondContact OD1-CD 3.49Å; D241-R245 IonicContact OD1-NH1 3.91Å
242	F	79.9	Confident	75.2	Confident	177 Å²	177	110.5 Å²	110.5	78%	0.776	61%	0.606	S	S	*	*	H	α-helix	trans	-59.3	-42	176.8	-179	-99.8	0	0	0	113.7	D238 G239	D238-F242 WeakPolarHBondContact O-CB 3.22Å; D238-F242 PolarHBondContact O-N 3.05Å; G239-F242 PolarHBondContact O-N 2.91Å
243	V	85.9	Confident	73.4	Confident	115 Å²	115	113.3 Å²	113.3	70%	0.697	63%	0.626	S	S	*	*	H	α-helix	trans	-81.2	-42.1	-177.2	173.9	0	0	0	0	112.2	G239 C240 D241	G239-V243 VanDerWaalsContact O-CG2 3.31Å; G239-V243 WeakPolarHBondContact O-CG2 3.38Å; G239-V243 PolarHBondContact O-N 3.3Å; C240-V243 PolarHBondContact O-N 2.94Å; D241-V243 PolarHBondContact O-N 3.44Å
244	C	78.5	Confident	71.7	Confident	101 Å²	101	116.6 Å²	116.6	68%	0.682	65%	0.649	S	S	*	*	H	α-helix	trans	-89.7	-19	-172.6	-62.8	0	0	0	0	113.1	C240	C240-C244 WeakPolarHBondContact O-CB 3.31Å; C240-C244 PolarHBondContact O-N 3.21Å; C240-C244 PolarHBondContact O-SG 2.83Å
245	R	71.8	Confident	69.9	Low	146 Å²	146	122.8 Å²	122.8	55%	0.551	67%	0.666	S	S	*	*			trans	-104.1	88.6	-180	-160.1	175.3	169.5	154.6	-2.1	110.4	D241 K247	D241-R245 WeakPolarHBondContact O-CA 3.23Å; D241-R245 WeakPolarHBondContact O-CB 3.42Å; D241-R245 PolarHBondContact O-N 2.97Å; D241-R245 WeakPolarHBondContact OD1-CD 3.49Å; D241-R245 IonicContact OD1-NH1 3.91Å; R245-K247 HydrophobicContact CG-CB 4.49Å; R245-K247 PolarHBondContact O-N 3.42Å; R245-K247 VanDerWaalsContact O-N 3.12Å
246	S	59.5	Low	67.9	Low	126 Å²	126	128.7 Å²	128.7	88%	0.881	68%	0.68	S	S	*	*			trans	-76.7	16.6	174.1	73.8	0	0	0	0	114.6
247	K	61.5	Low	65.9	Low	127 Å²	127	128.5 Å²	128.5	55%	0.552	69%	0.689	S	S	*	*	S	Bend	trans	-94.7	129.4	-177.2	-132.3	-169.9	-179.9	-157.7	0	109.9	R245 R249 E251	R245-K247 HydrophobicContact CG-CB 4.49Å; R245-K247 PolarHBondContact O-N 3.42Å; R245-K247 VanDerWaalsContact O-N 3.12Å; K247-R249 PolarHBondContact O-N 3.37Å; K247-E251 IonicContact NZ-OE1 3.77Å; K247-E251 PolarHBondContact NZ-OE1 3.08Å; K247-E251 IonicContact NZ-OE2 2.95Å; K247-E251 PolarHBondContact NZ-OE2 2.95Å
248	N	57.8	Low	63.9	Low	138 Å²	138	132.4 Å²	132.4	74%	0.738	71%	0.707	S	S	*	*			trans	-45	130.8	177.3	-82.2	-27.8	0	0	0	111.1	E250	N248-E250 PolarHBondContact O-N 2.9Å
249	R	54.8	Low	61.8	Low	254 Å²	254	131.2 Å²	131.2	96%	0.958	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	44.3	179.2	-158.5	167.7	82.5	156.7	4.9	112	K247	K247-R249 PolarHBondContact O-N 3.37Å
250	E	53.1	Low	60	Low	175 Å²	175	133.7 Å²	133.7	82%	0.818	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.5	-2.2	-179.5	-75.2	-164.5	165.6	0	0	113.9	N248 A252	N248-E250 PolarHBondContact O-N 2.9Å; E250-A252 PolarHBondContact O-N 3.44Å; E250-A252 VanDerWaalsContact O-N 3.16Å
251	E	53.2	Low	58.3	Low	133 Å²	133	137.7 Å²	137.7	62%	0.621	74%	0.741	S	S	*	*			trans	-82.6	98.6	168.7	-78.7	174.8	-167.5	0	0	109.2	K247	K247-E251 IonicContact NZ-OE1 3.77Å; K247-E251 PolarHBondContact NZ-OE1 3.08Å; K247-E251 IonicContact NZ-OE2 2.95Å; K247-E251 PolarHBondContact NZ-OE2 2.95Å
252	A	47.8	Very low	56.3	Low	83 Å²	83	137.4 Å²	137.4	69%	0.686	75%	0.75	S	S	*	*			trans	-47.6	145.1	170.1	0	0	0	0	0	111.4	E250 A254	E250-A252 PolarHBondContact O-N 3.44Å; E250-A252 VanDerWaalsContact O-N 3.16Å; A252-A254 PolarHBondContact O-N 3.11Å
253	P	51.4	Low	54.7	Low	114 Å²	114	136.4 Å²	136.4	74%	0.74	75%	0.752	S	S	*	*			trans	-56.3	129.7	179.8	22	-31.4	0	0	0	110.6	Y255	P253-Y255 PolarHBondContact O-N 3.01Å
254	A	53.8	Low	52.9	Low	106 Å²	106	138.7 Å²	138.7	88%	0.876	76%	0.761	S	S	*	*	S	Bend	trans	-67	1.5	-178.4	0	0	0	0	0	114.3	A252	A252-A254 PolarHBondContact O-N 3.11Å
255	Y	52.5	Low	51	Low	226 Å²	226	143 Å²	143	89%	0.886	77%	0.77	S	S	*	*			trans	-97.5	85.4	167.3	-92.8	-86.8	0	0	0	110.1	P253 G257	P253-Y255 PolarHBondContact O-N 3.01Å; Y255-G257 PolarHBondContact O-N 3.39Å
256	R	48.3	Very low	49.8	Very low	250 Å²	250	144.8 Å²	144.8	94%	0.943	79%	0.785	S	S	*	*			trans	-77	110.3	164.1	-164.9	-179.5	-160.5	151.1	3.4	107.1
257	G	48	Very low	49.3	Very low	69 Å²	69	144 Å²	144	71%	0.711	78%	0.777	S	S	*	*	S	Bend	trans	-173.9	-21.2	176	0	0	0	0	0	118.2	Y255	Y255-G257 PolarHBondContact O-N 3.39Å
258	V	44.1	Very low	48.4	Very low	140 Å²	140	147.2 Å²	147.2	85%	0.848	79%	0.794	S	S	*	*			trans	-144.1	104.4	174.7	-171.7	0	0	0	0	108.9
259	S	41.4	Very low	48.2	Very low	84 Å²	84	150 Å²	150	59%	0.587	80%	0.803	S	S	*	*			trans	-67.1	134.3	166.2	39.8	0	0	0	0	109.2	D261	S259-D261 PolarHBondContact O-N 3.17Å; S259-D261 VanDerWaalsContact O-N 3.11Å
260	A	49.5	Very low	48	Very low	87 Å²	87	149.6 Å²	149.6	72%	0.719	80%	0.801	S	S	*	*	G	3₁₀ helix	trans	-69.3	1.6	176.5	0	0	0	0	0	114
261	D	47.4	Very low	48	Very low	156 Å²	156	148.4 Å²	148.4	83%	0.834	80%	0.8	S	S	*	*	G	3₁₀ helix	trans	-87.8	6.4	-179.2	-67.5	-36.4	0	0	0	114.2	S259	S259-D261 PolarHBondContact O-N 3.17Å; S259-D261 VanDerWaalsContact O-N 3.11Å
262	A	41.7	Very low	48.3	Very low	78 Å²	78	149.2 Å²	149.2	65%	0.645	81%	0.809	S	S	*	*	G	3₁₀ helix	trans	-103	18.2	179.9	0	0	0	0	0	114
263	L	47.2	Very low	48.8	Very low	157 Å²	157	153.3 Å²	153.3	82%	0.822	81%	0.814	S	S	*	*	S	Bend	trans	-91.4	6.6	-178.6	-76.9	175.4	0	0	0	115
264	D	48.2	Very low	49	Very low	163 Å²	163	155.1 Å²	155.1	87%	0.872	82%	0.816	S	S	*	*	S	Bend	trans	-112.7	14.3	-178.4	-90.4	-21.4	0	0	0	115.6
265	E	39	Very low	49	Very low	190 Å²	190	158.1 Å²	158.1	89%	0.888	82%	0.817	S	S	*	*			trans	-128.5	85.8	172	-71.4	-174.1	169.8	0	0	111.8
266	E	45	Very low	49	Very low	185 Å²	185	152.2 Å²	152.2	86%	0.864	81%	0.806	S	S	*	*			trans	-94.4	158.3	136.1	-75.1	-149.5	164.5	0	0	108.1
267	P	50	Low	48.7	Very low	109 Å²	109	152.7 Å²	152.7	71%	0.708	82%	0.822	S	S	*	*			cis	-133.6	155.8	-6.4	34.2	-16.1	0	0	0	113.3
268	E	43	Very low	48.7	Very low	195 Å²	195	156.9 Å²	156.9	91%	0.911	83%	0.827	S	S	*	*			trans	-135.3	120.5	150.5	-82	-163.6	168.8	0	0	111.2
269	E	52.1	Low	49	Very low	197 Å²	197	157.7 Å²	157.7	92%	0.921	83%	0.826	S	S	*	*			trans	-45.4	130.1	169.3	-74.5	167.6	137.6	0	0	112.1
270	R	51.4	Low	49.4	Very low	244 Å²	244	161.8 Å²	161.8	92%	0.921	84%	0.84	S	S	*	*			trans	-137.2	81.8	158.6	-174.3	164.8	-94.3	-122	-1.8	110.6
271	D	52.5	Low	49.4	Very low	150 Å²	150	166.2 Å²	166.2	80%	0.802	85%	0.847	S	S	*	*			trans	23.7	115.5	146.7	-116.2	-12.3	0	0	0	118.5	H273	D271-H273 PolarHBondContact O-N 3.25Å
272	D	59.4	Low	49.5	Very low	150 Å²	150	166.9 Å²	166.9	80%	0.802	85%	0.847	S	S	*	*			trans	-53.7	113.7	159	-66.1	-50.9	0	0	0	110.2
273	H	58.3	Low	50	Low	170 Å²	170	172.8 Å²	172.8	79%	0.787	86%	0.861	S	S	*	*			trans	-170.4	123.2	148.2	-99.9	-45.8	0	0	0	112.6	D271	D271-H273 PolarHBondContact O-N 3.25Å
274	L	55.9	Low	50.2	Low	151 Å²	151	173.9 Å²	173.9	79%	0.791	86%	0.864	S	S	*	*			trans	100.4	88.6	151	-54.6	161.8	0	0	0	117.6
275	L	54.8	Low	50.4	Low	170 Å²	170	174.8 Å²	174.8	89%	0.89	86%	0.863	S	S	*	*				-68.4	135.7	124.9	-69.2	170.6	0	0	0	107.7
276	P	51.6	Low	51.3	Low	101 Å²	101	173.5 Å²	173.5	66%	0.656	86%	0.861	S	S	*	*				-143.4	164.2	86.8	40.4	-24.3	0	0	0	111.5
277	M	41.9	Very low	51.9	Low	260 Å²	260	172.5 Å²	172.5	100%	1.281	86%	0.861	S	S	*	*			cis	-145.3	0	25.3	-64.2	179.3	-157.7	0	0	109.6

Retrieved 277 of 277 residues in 222.6 ms (Link to these results)

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