G4VPR7_SCHMA Loading...

Protein phosphatase 1 regulatory subunit 7

AlphaFold DB , UniProt , Accession G4VPR7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 327 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.1	Very low	36.9	Very low	233 Å²	233	170.5 Å²	170.5	100%	1.148	88%	0.876	S	S	*	*				0	148.3	0	-100.1	167.8	156.8	0	0	106.4
2	D	43.8	Very low	36.4	Very low	165 Å²	165	161.8 Å²	161.8	88%	0.882	86%	0.859	S	S	*	*			trans	85.7	125	-174.3	-43.5	-17.7	0	0	0	112.9
3	D	39.9	Very low	36.1	Very low	147 Å²	147	159.5 Å²	159.5	79%	0.786	85%	0.854	S	S	*	*			cis	-160.8	144	-16.5	-174.3	7	0	0	0	105
4	Q	39.3	Very low	36	Very low	189 Å²	189	154.4 Å²	154.4	88%	0.883	85%	0.846	S	S	*	*			trans	-87.4	113.4	173.7	-71.9	-173.8	-9.9	0	0	108.7
5	S	41.3	Very low	36.1	Very low	104 Å²	104	151.5 Å²	151.5	73%	0.727	83%	0.829	S	S	*	*			trans	-152	79.5	156.1	68.5	0	0	0	0	110.8
6	K	36.1	Very low	35.9	Very low	205 Å²	205	153.7 Å²	153.7	89%	0.891	83%	0.831	S	S	*	*			trans	-76.5	123.6	159.5	-109	-177.4	178.3	-178.3	0	107.2	Q8	K6-Q8 PolarHBondContact O-N 2.73Å
7	P	34.9	Very low	36.3	Very low	114 Å²	114	152.8 Å²	152.8	74%	0.74	82%	0.82	S	S	*	*			trans	-69.9	122.2	-179.1	10.6	-4.2	0	0	0	110.2	L9	P7-L9 PolarHBondContact O-N 3.04Å
8	Q	34.4	Very low	36.6	Very low	193 Å²	193	154.1 Å²	154.1	90%	0.902	82%	0.821	S	S	*	*			trans	-68.2	102.5	159.7	-75.4	175	-21.4	0	0	107.1	K6 Q10	K6-Q8 PolarHBondContact O-N 2.73Å; Q8-Q10 PolarHBondContact O-N 2.61Å
9	L	33.6	Very low	37.4	Very low	168 Å²	168	150.9 Å²	150.9	88%	0.88	81%	0.812	S	S	*	*			trans	-71.8	118.8	167.9	-85.9	157.1	0	0	0	107.8	P7	P7-L9 PolarHBondContact O-N 3.04Å
10	Q	31.3	Very low	38.6	Very low	183 Å²	183	148.2 Å²	148.2	86%	0.855	80%	0.797	S	S	*	*			trans	-59.9	131	-177.8	-73.2	165.3	-28	0	0	111.5	Q8 G12	Q8-Q10 PolarHBondContact O-N 2.61Å; Q10-G12 PolarHBondContact O-N 3.13Å
11	D	30.6	Very low	39.7	Very low	175 Å²	175	142.1 Å²	142.1	94%	0.936	77%	0.767	S	S	*	*			trans	-54.6	111.4	156	-65.4	-47	0	0	0	108.6
12	G	30.7	Very low	41.6	Very low	66 Å²	66	134.4 Å²	134.4	68%	0.68	73%	0.728	S	S	*	*			trans	-171.7	19.8	-170.8	0	0	0	0	0	117.6	Q10	Q10-G12 PolarHBondContact O-N 3.13Å
13	V	32.7	Very low	43.6	Very low	131 Å²	131	130.3 Å²	130.3	79%	0.794	70%	0.703	S	S	*	*			trans	-139	87.7	158	-171.4	0	0	0	0	106.6	D15	V13-D15 PolarHBondContact O-N 3.21Å
14	A	34.5	Very low	45.8	Very low	89 Å²	89	123.3 Å²	123.3	74%	0.736	67%	0.666	S	S	*	*			trans	-57.5	100.4	158.3	0	0	0	0	0	105.9	Q16	A14-Q16 VanDerWaalsContact C-N 3.28Å; A14-Q16 PolarHBondContact O-N 3.48Å
15	D	37.5	Very low	47.8	Very low	110 Å²	110	117.1 Å²	117.1	59%	0.588	64%	0.639	S	S	*	*			trans	-63.3	94.7	177.4	-154.8	-1.5	0	0	0	106.9	V13 Q17	V13-D15 PolarHBondContact O-N 3.21Å; D15-Q17 PolarHBondContact O-N 3.28Å
16	Q	33.4	Very low	49.9	Very low	187 Å²	187	117.3 Å²	117.3	87%	0.874	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	14.5	-179.1	-77.2	-179.4	-7.6	0	0	112.7	A14 Q18	A14-Q16 VanDerWaalsContact C-N 3.28Å; A14-Q16 PolarHBondContact O-N 3.48Å; Q16-Q18 VanDerWaalsContact C-N 3.29Å; Q16-Q18 PolarHBondContact O-N 2.87Å
17	Q	42.2	Very low	52.3	Low	138 Å²	138	108.7 Å²	108.7	65%	0.645	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	15.1	178	-62.8	-169	6.3	0	0	114.1	D15 R43	D15-Q17 PolarHBondContact O-N 3.28Å; Q17-R43 PolarHBondContact O-NH2 3.01Å; Q17-R43 VanDerWaalsContact O-NH2 3.09Å
18	Q	42.3	Very low	54.7	Low	176 Å²	176	110.1 Å²	110.1	82%	0.822	59%	0.594	S	S	*	*			trans	-85.8	-10.6	-169.6	-115.8	-177.5	31.8	0	0	117.2	Q16	Q16-Q18 VanDerWaalsContact C-N 3.29Å; Q16-Q18 PolarHBondContact O-N 2.87Å
19	S	51.1	Low	57.2	Low	95 Å²	95	102.2 Å²	102.2	66%	0.664	56%	0.559	S	S	*	*	S	Bend	trans	-93.4	-35.2	-165.6	64.5	0	0	0	0	117.1	A21	S19-A21 PolarHBondContact O-N 2.76Å
20	D	62.1	Low	59.5	Low	95 Å²	95	100.4 Å²	100.4	51%	0.508	56%	0.557	S	S	.	*			trans	-99.4	80	-164.1	-63.9	8.5	0	0	0	109.1	F22 R43	D20-F22 HydrophobicContact CB-CE2 3.78Å; D20-F22 HydrophobicContact CB-CZ 3.71Å; D20-R43 PolarHBondContact O-NE 3.22Å
21	A	61.8	Low	62.1	Low	21 Å²	21	94.9 Å²	94.9	17%	0.174	53%	0.534	C	S	.	.			trans	-112.5	130.9	165.5	0	0	0	0	0	107.6	S19 K45	S19-A21 PolarHBondContact O-N 2.76Å; A21-K45 HydrophobicContact CB-CD 3.47Å; A21-K45 VanDerWaalsContact CB-CD 3.47Å; A21-K45 HydrophobicContact CB-CG 3.98Å
22	F	80.9	Confident	64.8	Low	72 Å²	72	87.8 Å²	87.8	32%	0.316	50%	0.499	S	S	.	.			trans	-104.8	154.6	-164.9	-63.7	-80.5	0	0	0	111.7	D20 E26 V27 C42 R43 I44 K45	D20-F22 HydrophobicContact CB-CE2 3.78Å; D20-F22 HydrophobicContact CB-CZ 3.71Å; F22-E26 VanDerWaalsContact CA-OE2 3.29Å; F22-E26 WeakPolarHBondContact CA-OE2 3.37Å; F22-E26 HydrophobicContact CB-CB 4.22Å; F22-E26 HydrophobicContact CD1-CB 3.77Å; F22-E26 WeakPolarHBondContact CD1-OE2 3.14Å; F22-E26 HydrophobicContact CG-CB 4.48Å; F22-V27 HydrophobicContact CB-CG2 4.21Å; F22-C42 WeakPolarHBondContact CD2-O 3.49Å; F22-R43 PolarHBondContact N-O 3.31Å; F22-I44 VanDerWaalsContact O-CA 3.24Å; F22-I44 WeakPolarHBondContact O-CA 3.33Å; F22-K45 PolarHBondContact O-N 3.45Å
23	E	85.1	Confident	67.7	Low	79 Å²	79	89.5 Å²	89.5	37%	0.369	49%	0.493	S	S	.	.	B	Isolated β-bridge	trans	-85.9	162.9	154.3	-62.7	-162.3	-164.5	0	0	109.6	D25 E26 S48	E23-D25 WeakPolarHBondContact CB-OD1 3.24Å; E23-D25 PolarHBondContact O-N 3.06Å; E23-E26 HydrophobicContact CB-CG 4.18Å; E23-E26 PolarHBondContact N-OE2 3.46Å; E23-E26 PolarHBondContact O-N 3.05Å; E23-E26 VanDerWaalsContact O-N 3.15Å; E23-S48 PolarHBondContact OE2-OG 2.97Å; E23-S48 VanDerWaalsContact OE2-OG 3.11Å
24	I	86	Confident	70.7	Confident	0 Å²	0	86.8 Å²	86.8	0%	0	47%	0.474	C	S	.	.	G	3₁₀ helix	trans	-57.9	-37.8	179.8	-73.4	-174.5	0	0	0	111.4	E26 V27 L39 I44 I47 S48 L50 R52 F53 L61	I24-E26 VanDerWaalsContact C-N 3.3Å; I24-E26 PolarHBondContact O-N 3.46Å; I24-V27 PolarHBondContact O-N 2.87Å; I24-L39 HydrophobicContact CD1-CD1 4.49Å; I24-L39 HydrophobicContact CG1-CD1 4.38Å; I24-L39 HydrophobicContact CG2-CD1 3.83Å; I24-I44 HydrophobicContact CG1-CD1 4.03Å; I24-I44 HydrophobicContact CG1-CG1 4.43Å; I24-I44 HydrophobicContact CG1-CG2 3.68Å; I24-I47 HydrophobicContact CD1-CB 4.06Å; I24-I47 HydrophobicContact CD1-CG1 4.06Å; I24-I47 HydrophobicContact CD1-CG2 3.87Å; I24-S48 WeakPolarHBondContact CB-O 3.42Å; I24-L50 HydrophobicContact CD1-CD2 3.94Å; I24-L50 HydrophobicContact CG2-CD2 4.39Å; I24-R52 PolarHBondContact O-NH2 3.35Å; I24-F53 HydrophobicContact CG2-CE2 3.64Å; I24-F53 HydrophobicContact CG2-CZ 4.23Å; I24-L61 HydrophobicContact CD1-CD1 4.46Å; I24-L61 HydrophobicContact CD1-CD2 3.92Å; I24-L61 HydrophobicContact CG1-CD2 4.38Å
25	D	81.2	Confident	73.7	Confident	59 Å²	59	87.4 Å²	87.4	32%	0.316	46%	0.461	S	S	.	.	G	3₁₀ helix	trans	-71.4	-23.1	-179.5	56	-34.8	0	0	0	114.1	E23 V27 S48 R49 R52	E23-D25 WeakPolarHBondContact CB-OD1 3.24Å; E23-D25 PolarHBondContact O-N 3.06Å; D25-V27 PolarHBondContact O-N 3.38Å; D25-S48 PolarHBondContact OD1-OG 3.26Å; D25-R49 HydrophobicContact CB-CB 3.77Å; D25-R49 HydrophobicContact CB-CG 3.76Å; D25-R52 PolarHBondContact O-NH1 2.88Å
26	E	85	Confident	76.6	Confident	108 Å²	108	87.3 Å²	87.3	51%	0.505	46%	0.458	S	S	.	.	G	3₁₀ helix	trans	-76.9	-14.8	174.8	-59	179.3	168.5	0	0	112.5	F22 E23 I24	F22-E26 VanDerWaalsContact CA-OE2 3.29Å; F22-E26 WeakPolarHBondContact CA-OE2 3.37Å; F22-E26 HydrophobicContact CB-CB 4.22Å; F22-E26 HydrophobicContact CD1-CB 3.77Å; F22-E26 WeakPolarHBondContact CD1-OE2 3.14Å; F22-E26 HydrophobicContact CG-CB 4.48Å; E23-E26 HydrophobicContact CB-CG 4.18Å; E23-E26 PolarHBondContact N-OE2 3.46Å; E23-E26 PolarHBondContact O-N 3.05Å; E23-E26 VanDerWaalsContact O-N 3.15Å; I24-E26 VanDerWaalsContact C-N 3.3Å; I24-E26 PolarHBondContact O-N 3.46Å
27	V	87.2	Confident	79.6	Confident	23 Å²	23	78.6 Å²	78.6	14%	0.139	42%	0.417	C	S	.	.	S	Bend	trans	-82.1	124.5	172.1	-172	0	0	0	0	109.3	F22 I24 D25 V29 L39 C42 I44 R52	F22-V27 HydrophobicContact CB-CG2 4.21Å; I24-V27 PolarHBondContact O-N 2.87Å; D25-V27 PolarHBondContact O-N 3.38Å; V27-V29 PolarHBondContact O-N 3.17Å; V27-L39 HydrophobicContact CB-CD2 4.3Å; V27-L39 HydrophobicContact CG1-CD2 3.83Å; V27-C42 HydrophobicContact CG1-CB 4.49Å; V27-C42 HydrophobicContact CG2-CB 3.81Å; V27-I44 HydrophobicContact CG2-CD1 4.23Å; V27-I44 HydrophobicContact CG2-CG1 4.13Å; V27-R52 PolarHBondContact O-NH2 3.37Å
28	D	85.4	Confident	82.2	Confident	145 Å²	145	78.2 Å²	78.2	78%	0.775	41%	0.41	S	S	*	.			trans	-69.9	120.9	173.4	-171.6	22.6	0	0	0	109.9
29	V	87.8	Confident	84.7	Confident	26 Å²	26	70.1 Å²	70.1	16%	0.158	37%	0.373	C	S	.	.			trans	-117.8	107.9	178.6	-178.2	0	0	0	0	107.6	V27 N31 I37 L39 F53	V27-V29 PolarHBondContact O-N 3.17Å; V29-N31 PolarHBondContact O-N 3.07Å; V29-N31 VanDerWaalsContact O-N 3.12Å; V29-I37 HydrophobicContact CG1-CD1 4.14Å; V29-L39 HydrophobicContact CG2-CD2 3.64Å; V29-F53 HydrophobicContact CB-CE1 3.85Å; V29-F53 HydrophobicContact CB-CZ 4.22Å; V29-F53 HydrophobicContact CG1-CE1 3.79Å; V29-F53 HydrophobicContact CG1-CZ 4.42Å; V29-F53 HydrophobicContact CG2-CE1 3.88Å; V29-F53 HydrophobicContact CG2-CZ 3.72Å
30	P	80.1	Confident	86.8	Confident	131 Å²	131	69.3 Å²	69.3	85%	0.851	36%	0.358	S	S	*	.	S	Bend	trans	-57.1	-32.7	-170	-28	34.1	0	0	0	114.6
31	N	87.2	Confident	88.3	Confident	67 Å²	67	70.5 Å²	70.5	36%	0.358	36%	0.361	S	S	.	.			trans	-135.5	98.4	178.2	-172.8	8.5	0	0	0	110.3	V29 D33 D34	V29-N31 PolarHBondContact O-N 3.07Å; V29-N31 VanDerWaalsContact O-N 3.12Å; N31-D33 PolarHBondContact O-N 3.45Å; N31-D33 PolarHBondContact OD1-N 3.36Å; N31-D34 WeakPolarHBondContact CB-OD2 3.4Å; N31-D34 PolarHBondContact ND2-OD1 3.39Å; N31-D34 PolarHBondContact ND2-OD2 3.18Å
32	A	86.7	Confident	89.9	Confident	25 Å²	25	71 Å²	71	21%	0.207	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-12.7	-177.8	0	0	0	0	0	113.5	R52 F53	A32-R52 HydrophobicContact CB-CG 4.01Å; A32-R52 WeakPolarHBondContact CB-O 3.25Å; A32-F53 HydrophobicContact CB-CD1 3.99Å; A32-F53 HydrophobicContact CB-CE1 4.16Å; A32-F53 WeakPolarHBondContact O-CA 3.34Å
33	D	92	Very high	90.5	Very high	102 Å²	102	72.6 Å²	72.6	55%	0.545	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-1.2	178.3	-71	-44.9	0	0	0	113.3	N31 N55	N31-D33 PolarHBondContact O-N 3.45Å; N31-D33 PolarHBondContact OD1-N 3.36Å; D33-N55 PolarHBondContact O-ND2 3.43Å
34	D	95.4	Very high	91	Very high	75 Å²	75	68.8 Å²	68.8	40%	0.401	35%	0.349	S	S	.	.			trans	-65.3	145.3	179.1	-82.3	-21.7	0	0	0	112.6	N31 E36 I37	N31-D34 WeakPolarHBondContact CB-OD2 3.4Å; N31-D34 PolarHBondContact ND2-OD1 3.39Å; N31-D34 PolarHBondContact ND2-OD2 3.18Å; D34-E36 VanDerWaalsContact C-N 3.27Å; D34-E36 PolarHBondContact O-N 3.04Å; D34-I37 HydrophobicContact CB-CD1 4Å
35	E	97.7	Very high	91.5	Very high	102 Å²	102	74.2 Å²	74.2	48%	0.477	37%	0.372	S	S	.	.	S	Bend	trans	-74.2	-19.1	175.4	-64.8	-171.9	-174.2	0	0	112.2	R57 L58	E35-R57 HydrophobicContact CB-CB 4.44Å; E35-R57 HydrophobicContact CB-CG 4.39Å; E35-R57 WeakPolarHBondContact O-CA 3.45Å; E35-R57 PolarHBondContact O-N 2.9Å; E35-R57 WeakPolarHBondContact OE2-CD 3.24Å; E35-R57 IonicContact OE2-CZ 3.44Å; E35-R57 IonicContact OE2-NE 3.67Å; E35-R57 IonicContact OE2-NH1 2.88Å; E35-R57 PolarHBondContact OE2-NH1 2.86Å; E35-L58 PolarHBondContact O-N 3.21Å
36	E	98	Very high	92.1	Very high	108 Å²	108	73 Å²	73	51%	0.505	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	115.6	-179.6	-54.9	-174.6	-172.7	0	0	110.2	D34 Y38 L58	D34-E36 VanDerWaalsContact C-N 3.27Å; D34-E36 PolarHBondContact O-N 3.04Å; E36-Y38 HydrophobicContact CB-CD2 4.43Å; E36-Y38 HydrophobicContact CB-CE2 3.63Å; E36-Y38 PolarHBondContact OE2-OH 2.98Å; E36-L58 WeakPolarHBondContact CA-O 3.33Å; E36-L58 HydrophobicContact CB-CB 4.29Å; E36-L58 HydrophobicContact CG-CB 4.07Å
37	I	97.3	Very high	92.6	Very high	4 Å²	4	67.8 Å²	67.8	2%	0.021	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	118	-176.8	-59.3	-62.5	0	0	0	109.1	V29 D34 L39 F53 V56 L58 L59 C60	V29-I37 HydrophobicContact CG1-CD1 4.14Å; D34-I37 HydrophobicContact CB-CD1 4Å; I37-L39 HydrophobicContact CG2-CD1 4.04Å; I37-L39 HydrophobicContact CG2-CD2 4.39Å; I37-L39 HydrophobicContact CG2-CG 3.88Å; I37-F53 HydrophobicContact CD1-CD1 4.05Å; I37-F53 HydrophobicContact CD1-CE1 4.4Å; I37-F53 HydrophobicContact CG1-CB 4.36Å; I37-F53 HydrophobicContact CG1-CD1 4.19Å; I37-F53 HydrophobicContact CG1-CG 4.23Å; I37-F53 HydrophobicContact CG2-CE1 4.39Å; I37-F53 HydrophobicContact CG2-CE2 4.34Å; I37-F53 HydrophobicContact CG2-CZ 4.23Å; I37-V56 HydrophobicContact CB-CG2 3.98Å; I37-V56 HydrophobicContact CG1-CB 4.14Å; I37-V56 HydrophobicContact CG1-CG2 3.66Å; I37-L58 PolarHBondContact N-O 2.72Å; I37-L59 HydrophobicContact CB-CD1 4.1Å; I37-L59 HydrophobicContact CG2-CD1 3.98Å; I37-C60 PolarHBondContact O-N 2.93Å
38	Y	95.6	Very high	93	Very high	130 Å²	130	67.4 Å²	67.4	51%	0.51	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	111.4	-180	-60.9	-94.7	0	0	0	110.5	E36 L58 C60	E36-Y38 HydrophobicContact CB-CD2 4.43Å; E36-Y38 HydrophobicContact CB-CE2 3.63Å; E36-Y38 PolarHBondContact OE2-OH 2.98Å; Y38-L58 HydrophobicContact CD1-CD2 4.49Å; Y38-L58 HydrophobicContact CE1-CD2 3.91Å; Y38-L58 HydrophobicContact CE2-CD2 4.45Å; Y38-C60 HydrophobicContact CD1-CB 3.57Å; Y38-C60 HydrophobicContact CE1-CB 4.1Å; Y38-C60 HydrophobicContact CG-CB 4.25Å
39	L	95.5	Very high	93.3	Very high	5 Å²	5	67.7 Å²	67.7	3%	0.026	33%	0.332	C	S	.	.			trans	-122	51.4	-178.5	-62.8	176.7	0	0	0	110.2	I24 V27 V29 I37 I44 F53 L59 C60 L61 N64	I24-L39 HydrophobicContact CD1-CD1 4.49Å; I24-L39 HydrophobicContact CG1-CD1 4.38Å; I24-L39 HydrophobicContact CG2-CD1 3.83Å; V27-L39 HydrophobicContact CB-CD2 4.3Å; V27-L39 HydrophobicContact CG1-CD2 3.83Å; V29-L39 HydrophobicContact CG2-CD2 3.64Å; I37-L39 HydrophobicContact CG2-CD1 4.04Å; I37-L39 HydrophobicContact CG2-CD2 4.39Å; I37-L39 HydrophobicContact CG2-CG 3.88Å; L39-I44 HydrophobicContact CB-CD1 3.82Å; L39-I44 HydrophobicContact CD1-CD1 4.29Å; L39-F53 HydrophobicContact CD1-CE2 4.39Å; L39-L59 HydrophobicContact CD1-CD1 4.4Å; L39-C60 WeakPolarHBondContact CA-O 3.07Å; L39-C60 PolarHBondContact N-O 3.25Å; L39-L61 HydrophobicContact CB-CD2 3.87Å; L39-L61 HydrophobicContact CD1-CD2 4.06Å; L39-N64 PolarHBondContact O-ND2 2.78Å
40	E	95	Very high	93.7	Very high	78 Å²	78	66.4 Å²	66.4	36%	0.364	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	141.8	-177.2	-51.8	-176.7	163.9	0	0	111.1	C42 C60 R62	E40-C42 PolarHBondContact O-N 2.84Å; E40-C42 VanDerWaalsContact O-N 3.08Å; E40-C42 PolarHBondContact O-SG 3.36Å; E40-C42 VanDerWaalsContact O-SG 3.37Å; E40-C60 VanDerWaalsContact CG-SG 3.6Å; E40-C60 PolarHBondContact OE1-SG 3.49Å; E40-R62 VanDerWaalsContact CA-O 3.31Å; E40-R62 WeakPolarHBondContact CA-O 3.38Å; E40-R62 HydrophobicContact CB-CB 4.33Å; E40-R62 HydrophobicContact CG-CB 3.98Å
41	H	93.6	Very high	94.4	Very high	121 Å²	121	64.8 Å²	64.8	56%	0.56	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	20.9	174.3	-57.2	-81.4	0	0	0	115.6	R43 R62 N63	H41-R43 VanDerWaalsContact C-N 3.25Å; H41-R43 PolarHBondContact O-N 3.16Å; H41-R62 PolarHBondContact N-O 3.37Å; H41-N63 WeakPolarHBondContact CA-O 3.25Å; H41-N63 WeakPolarHBondContact CE1-CB 3.34Å; H41-N63 PolarHBondContact CE1-OD1 3.27Å; H41-N63 WeakPolarHBondContact ND1-CB 3.34Å
42	C	94.7	Very high	94.7	Very high	30 Å²	30	65.2 Å²	65.2	20%	0.203	31%	0.305	C	S	.	.	S	Bend	trans	-83	4.7	-178.6	-61.2	0	0	0	0	113.9	F22 V27 E40 I44 N64	F22-C42 WeakPolarHBondContact CD2-O 3.49Å; V27-C42 HydrophobicContact CG1-CB 4.49Å; V27-C42 HydrophobicContact CG2-CB 3.81Å; E40-C42 PolarHBondContact O-N 2.84Å; E40-C42 VanDerWaalsContact O-N 3.08Å; E40-C42 PolarHBondContact O-SG 3.36Å; E40-C42 VanDerWaalsContact O-SG 3.37Å; C42-I44 HydrophobicContact CB-CD1 3.63Å; C42-I44 HydrophobicContact CB-CG1 3.68Å; C42-I44 PolarHBondContact O-N 3.07Å; C42-N64 PolarHBondContact N-OD1 3.06Å; C42-N64 VanDerWaalsContact N-OD1 3.14Å
43	R	94.5	Very high	95.1	Very high	106 Å²	106	64 Å²	64	40%	0.4	30%	0.295	S	S	.	.			trans	56.2	30	-176.3	-59.3	169.1	60.6	118.2	-5.3	112.8	Q17 D20 F22 H41 K45 N64 L65	Q17-R43 PolarHBondContact O-NH2 3.01Å; Q17-R43 VanDerWaalsContact O-NH2 3.09Å; D20-R43 PolarHBondContact O-NE 3.22Å; F22-R43 PolarHBondContact N-O 3.31Å; H41-R43 VanDerWaalsContact C-N 3.25Å; H41-R43 PolarHBondContact O-N 3.16Å; R43-K45 PolarHBondContact O-N 3.18Å; R43-N64 PolarHBondContact N-OD1 3.44Å; R43-L65 HydrophobicContact CB-CD1 4.05Å
44	I	96.2	Very high	95.2	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	29%	0.288	C	S	.	.			trans	-65.7	127.3	-177.6	-65.6	157.7	0	0	0	109.9	F22 I24 V27 L39 C42 C46 L61 N64 L65 L66	F22-I44 VanDerWaalsContact O-CA 3.24Å; F22-I44 WeakPolarHBondContact O-CA 3.33Å; I24-I44 HydrophobicContact CG1-CD1 4.03Å; I24-I44 HydrophobicContact CG1-CG1 4.43Å; I24-I44 HydrophobicContact CG1-CG2 3.68Å; V27-I44 HydrophobicContact CG2-CD1 4.23Å; V27-I44 HydrophobicContact CG2-CG1 4.13Å; L39-I44 HydrophobicContact CB-CD1 3.82Å; L39-I44 HydrophobicContact CD1-CD1 4.29Å; C42-I44 HydrophobicContact CB-CD1 3.63Å; C42-I44 HydrophobicContact CB-CG1 3.68Å; C42-I44 PolarHBondContact O-N 3.07Å; I44-C46 WeakPolarHBondContact CG2-O 3.5Å; I44-L61 HydrophobicContact CD1-CD2 3.83Å; I44-N64 HydrophobicContact CB-CB 4.18Å; I44-N64 WeakPolarHBondContact CB-OD1 3.32Å; I44-N64 PolarHBondContact N-OD1 2.74Å; I44-L65 CarbonylContact O-C 3.42Å; I44-L65 VanDerWaalsContact O-C 3.24Å; I44-L65 VanDerWaalsContact O-CA 3.26Å; I44-L65 WeakPolarHBondContact O-CA 3.48Å; I44-L65 WeakPolarHBondContact O-CB 3.34Å; I44-L65 PolarHBondContact O-N 3.42Å; I44-L66 HydrophobicContact CG2-CD2 3.78Å; I44-L66 PolarHBondContact O-N 3.36Å
45	K	94.8	Very high	95.2	Very high	114 Å²	114	62.1 Å²	62.1	50%	0.496	29%	0.288	S	S	.	.			trans	-97.1	-27.9	-179	-77.9	175.6	174.4	163.2	0	114.3	A21 F22 R43 L65	A21-K45 HydrophobicContact CB-CD 3.47Å; A21-K45 VanDerWaalsContact CB-CD 3.47Å; A21-K45 HydrophobicContact CB-CG 3.98Å; F22-K45 PolarHBondContact O-N 3.45Å; R43-K45 PolarHBondContact O-N 3.18Å; K45-L65 HydrophobicContact CG-CB 3.96Å; K45-L65 HydrophobicContact CG-CD1 4.26Å
46	C	95.5	Very high	95.2	Very high	32 Å²	32	57.2 Å²	57.2	22%	0.216	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-144.3	148.4	177.8	54.3	0	0	0	0	110.6	I44 E70	I44-C46 WeakPolarHBondContact CG2-O 3.5Å; C46-E70 WeakPolarHBondContact CB-OE1 3.06Å
47	I	95.5	Very high	95.3	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	26%	0.259	C	S	.	.			trans	-80.2	125.3	171.9	-66	155.8	0	0	0	107.1	I24 L50 L61 L66 E70 N71 F72	I24-I47 HydrophobicContact CD1-CB 4.06Å; I24-I47 HydrophobicContact CD1-CG1 4.06Å; I24-I47 HydrophobicContact CD1-CG2 3.87Å; I47-L50 HydrophobicContact CG2-CD1 3.32Å; I47-L50 HydrophobicContact CG2-CD2 4.29Å; I47-L50 HydrophobicContact CG2-CG 3.79Å; I47-L61 HydrophobicContact CD1-CD1 4.27Å; I47-L61 HydrophobicContact CG1-CD1 4.07Å; I47-L66 HydrophobicContact CD1-CD1 4.04Å; I47-L66 HydrophobicContact CD1-CD2 4.49Å; I47-L66 HydrophobicContact CG1-CD1 4.02Å; I47-L66 HydrophobicContact CG1-CD2 3.87Å; I47-E70 HydrophobicContact CB-CG 4.26Å; I47-E70 WeakPolarHBondContact CB-O 3.17Å; I47-E70 WeakPolarHBondContact CG2-O 2.83Å; I47-N71 HydrophobicContact CG2-CB 4.42Å; I47-N71 PolarHBondContact O-ND2 3.2Å; I47-F72 HydrophobicContact CD1-CE1 4.04Å; I47-F72 HydrophobicContact CD1-CE2 4.07Å; I47-F72 HydrophobicContact CD1-CZ 3.47Å; I47-F72 VanDerWaalsContact CD1-CZ 3.47Å
48	S	94	Very high	95.3	Very high	14 Å²	14	58.1 Å²	58.1	10%	0.098	27%	0.266	C	S	.	.			trans	-148.1	161.6	179.4	60.9	0	0	0	0	109.8	E23 I24 D25 L50	E23-S48 PolarHBondContact OE2-OG 2.97Å; E23-S48 VanDerWaalsContact OE2-OG 3.11Å; I24-S48 WeakPolarHBondContact CB-O 3.42Å; D25-S48 PolarHBondContact OD1-OG 3.26Å; S48-L50 PolarHBondContact O-N 3.26Å
49	R	92.6	Very high	95.5	Very high	151 Å²	151	52 Å²	52	57%	0.57	24%	0.242	S	C	*	.			trans	52	35.1	169.3	-60.9	-60.8	-142.4	176.9	7.3	115.9	D25 D51 R52	D25-R49 HydrophobicContact CB-CB 3.77Å; D25-R49 HydrophobicContact CB-CG 3.76Å; R49-D51 VanDerWaalsContact CA-OD1 3.24Å; R49-D51 WeakPolarHBondContact CA-OD1 3.1Å; R49-D51 PolarHBondContact O-N 2.98Å; R49-D51 VanDerWaalsContact O-N 3.11Å; R49-R52 WeakPolarHBondContact O-CB 3.36Å; R49-R52 PolarHBondContact O-N 3.18Å; R49-R52 VanDerWaalsContact O-N 3.08Å
50	L	95.9	Very high	95.6	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-65.6	-10.8	175.9	-67	178.6	0	0	0	112.7	I24 I47 S48 R52 F53 L59 N71 F72 P74 I75	I24-L50 HydrophobicContact CD1-CD2 3.94Å; I24-L50 HydrophobicContact CG2-CD2 4.39Å; I47-L50 HydrophobicContact CG2-CD1 3.32Å; I47-L50 HydrophobicContact CG2-CD2 4.29Å; I47-L50 HydrophobicContact CG2-CG 3.79Å; S48-L50 PolarHBondContact O-N 3.26Å; L50-R52 PolarHBondContact O-N 3.09Å; L50-F53 HydrophobicContact CD2-CD2 3.91Å; L50-F53 HydrophobicContact CD2-CE2 4.22Å; L50-F53 PolarHBondContact O-N 3.38Å; L50-L59 HydrophobicContact CD1-CD2 4.23Å; L50-L59 HydrophobicContact CD2-CD2 3.92Å; L50-N71 WeakPolarHBondContact CD1-O 3.46Å; L50-F72 HydrophobicContact CD1-CD1 3.89Å; L50-F72 HydrophobicContact CD1-CE1 4.37Å; L50-P74 HydrophobicContact CB-CB 4.4Å; L50-P74 HydrophobicContact CB-CG 4.48Å; L50-I75 HydrophobicContact CB-CD1 4.26Å; L50-I75 HydrophobicContact CB-CG1 4.29Å; L50-I75 HydrophobicContact CB-CG2 3.91Å; L50-I75 HydrophobicContact CD1-CD1 3.56Å; L50-I75 HydrophobicContact CD1-CG1 4Å; L50-I75 HydrophobicContact CD2-CD1 4.37Å; L50-I75 HydrophobicContact CG-CD1 4.28Å; L50-I75 VanDerWaalsContact O-CG2 3.23Å; L50-I75 WeakPolarHBondContact O-CG2 3.28Å
51	D	94.6	Very high	95.8	Very high	96 Å²	96	48.1 Å²	48.1	51%	0.513	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-59.8	-19.4	168.6	57.6	-72.4	0	0	0	113.6	R49 F53 P74	R49-D51 VanDerWaalsContact CA-OD1 3.24Å; R49-D51 WeakPolarHBondContact CA-OD1 3.1Å; R49-D51 PolarHBondContact O-N 2.98Å; R49-D51 VanDerWaalsContact O-N 3.11Å; D51-F53 PolarHBondContact O-N 2.71Å; D51-P74 HydrophobicContact CB-CB 3.95Å; D51-P74 HydrophobicContact CB-CG 4.34Å
52	R	93.6	Very high	96	Very high	77 Å²	77	46.7 Å²	46.7	29%	0.291	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-68.4	-20.9	172	-168.5	174	66.7	-174.5	0.5	112.8	I24 D25 V27 A32 R49 L50 P54	I24-R52 PolarHBondContact O-NH2 3.35Å; D25-R52 PolarHBondContact O-NH1 2.88Å; V27-R52 PolarHBondContact O-NH2 3.37Å; A32-R52 HydrophobicContact CB-CG 4.01Å; A32-R52 WeakPolarHBondContact CB-O 3.25Å; R49-R52 WeakPolarHBondContact O-CB 3.36Å; R49-R52 PolarHBondContact O-N 3.18Å; R49-R52 VanDerWaalsContact O-N 3.08Å; L50-R52 PolarHBondContact O-N 3.09Å; R52-P54 WeakPolarHBondContact O-CD 3.35Å
53	F	95.5	Very high	96.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.215	C	C	.	.			trans	-115.5	63.1	-176.5	-47.4	-57.5	0	0	0	111.8	I24 V29 A32 I37 L39 L50 D51 N55 V56 I75	I24-F53 HydrophobicContact CG2-CE2 3.64Å; I24-F53 HydrophobicContact CG2-CZ 4.23Å; V29-F53 HydrophobicContact CB-CE1 3.85Å; V29-F53 HydrophobicContact CB-CZ 4.22Å; V29-F53 HydrophobicContact CG1-CE1 3.79Å; V29-F53 HydrophobicContact CG1-CZ 4.42Å; V29-F53 HydrophobicContact CG2-CE1 3.88Å; V29-F53 HydrophobicContact CG2-CZ 3.72Å; A32-F53 HydrophobicContact CB-CD1 3.99Å; A32-F53 HydrophobicContact CB-CE1 4.16Å; A32-F53 WeakPolarHBondContact O-CA 3.34Å; I37-F53 HydrophobicContact CD1-CD1 4.05Å; I37-F53 HydrophobicContact CD1-CE1 4.4Å; I37-F53 HydrophobicContact CG1-CB 4.36Å; I37-F53 HydrophobicContact CG1-CD1 4.19Å; I37-F53 HydrophobicContact CG1-CG 4.23Å; I37-F53 HydrophobicContact CG2-CE1 4.39Å; I37-F53 HydrophobicContact CG2-CE2 4.34Å; I37-F53 HydrophobicContact CG2-CZ 4.23Å; L39-F53 HydrophobicContact CD1-CE2 4.39Å; L50-F53 HydrophobicContact CD2-CD2 3.91Å; L50-F53 HydrophobicContact CD2-CE2 4.22Å; L50-F53 PolarHBondContact O-N 3.38Å; D51-F53 PolarHBondContact O-N 2.71Å; F53-N55 PolarHBondContact O-N 3.34Å; F53-N55 VanDerWaalsContact O-N 3.09Å; F53-V56 HydrophobicContact CB-CB 4.03Å; F53-V56 HydrophobicContact CB-CG1 4.08Å; F53-V56 VanDerWaalsContact O-CG1 3.29Å; F53-V56 WeakPolarHBondContact O-CG1 3.42Å; F53-V56 PolarHBondContact O-N 3.16Å; F53-I75 WeakPolarHBondContact O-CG2 3.35Å
54	P	93.4	Very high	96.3	Very high	61 Å²	61	42.6 Å²	42.6	40%	0.396	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-19.8	-167.5	28.4	-37.2	0	0	0	114.3	R52 T78	R52-P54 WeakPolarHBondContact O-CD 3.35Å; P54-T78 WeakPolarHBondContact O-CG2 3.42Å
55	N	96.6	Very high	96.4	Very high	75 Å²	75	45.1 Å²	45.1	40%	0.401	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	2.9	-177	-56.3	-39.9	0	0	0	113.5	D33 F53 R57	D33-N55 PolarHBondContact O-ND2 3.43Å; F53-N55 PolarHBondContact O-N 3.34Å; F53-N55 VanDerWaalsContact O-N 3.09Å; N55-R57 PolarHBondContact O-N 3.18Å
56	V	98	Very high	96.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.187	C	C	.	.			trans	-62.7	127.2	-172.1	69.4	0	0	0	0	111.6	I37 F53 L58 L59 I75 T78 L79	I37-V56 HydrophobicContact CB-CG2 3.98Å; I37-V56 HydrophobicContact CG1-CB 4.14Å; I37-V56 HydrophobicContact CG1-CG2 3.66Å; F53-V56 HydrophobicContact CB-CB 4.03Å; F53-V56 HydrophobicContact CB-CG1 4.08Å; F53-V56 VanDerWaalsContact O-CG1 3.29Å; F53-V56 WeakPolarHBondContact O-CG1 3.42Å; F53-V56 PolarHBondContact O-N 3.16Å; V56-L58 WeakPolarHBondContact CG2-O 3.31Å; V56-L59 HydrophobicContact CG2-CB 4.2Å; V56-I75 HydrophobicContact CG1-CB 3.68Å; V56-I75 HydrophobicContact CG1-CD1 3.66Å; V56-I75 HydrophobicContact CG1-CG1 4.29Å; V56-I75 HydrophobicContact CG1-CG2 3.5Å; V56-I75 VanDerWaalsContact CG1-CG2 3.5Å; V56-T78 CarbonylContact O-C 3.37Å; V56-T78 VanDerWaalsContact O-C 3.23Å; V56-T78 WeakPolarHBondContact O-CB 3.19Å; V56-T78 PolarHBondContact O-OG1 2.81Å; V56-L79 HydrophobicContact CG1-CD1 4.46Å; V56-L79 HydrophobicContact CG2-CD1 4.45Å; V56-L79 PolarHBondContact O-N 3.08Å
57	R	98.7	Very high	96.6	Very high	100 Å²	100	44.6 Å²	44.6	38%	0.377	21%	0.205	S	C	.	.	S	Bend	trans	-110.2	-31.7	174	-65	175.2	71.4	-159.4	-6.2	111.4	E35 N55 T78 E80 D81	E35-R57 HydrophobicContact CB-CB 4.44Å; E35-R57 HydrophobicContact CB-CG 4.39Å; E35-R57 WeakPolarHBondContact O-CA 3.45Å; E35-R57 PolarHBondContact O-N 2.9Å; E35-R57 WeakPolarHBondContact OE2-CD 3.24Å; E35-R57 IonicContact OE2-CZ 3.44Å; E35-R57 IonicContact OE2-NE 3.67Å; E35-R57 IonicContact OE2-NH1 2.88Å; E35-R57 PolarHBondContact OE2-NH1 2.86Å; N55-R57 PolarHBondContact O-N 3.18Å; R57-T78 WeakPolarHBondContact CG-O 3.48Å; R57-E80 IonicContact CZ-OE1 3.29Å; R57-E80 IonicContact CZ-OE2 2.68Å; R57-E80 VanDerWaalsContact NE-CD 3.34Å; R57-E80 IonicContact NE-OE1 3.77Å; R57-E80 PolarHBondContact NE-OE1 3.18Å; R57-E80 IonicContact NE-OE2 2.68Å; R57-E80 PolarHBondContact NE-OE2 2.56Å; R57-E80 VanDerWaalsContact NH2-CD 3.31Å; R57-E80 IonicContact NH2-OE1 3.98Å; R57-E80 PolarHBondContact NH2-OE1 3.48Å; R57-E80 VanDerWaalsContact NH2-OE1 3.1Å; R57-E80 IonicContact NH2-OE2 3.82Å; R57-E80 PolarHBondContact NH2-OE2 2.92Å; R57-E80 CarbonylContact O-C 3.15Å; R57-E80 WeakPolarHBondContact O-CA 3.45Å; R57-E80 PolarHBondContact O-N 3.23Å; R57-D81 PolarHBondContact O-N 3.35Å
58	L	98.7	Very high	96.7	Very high	31 Å²	31	49.1 Å²	49.1	16%	0.162	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	121.7	171.3	-175.7	154.8	0	0	0	109.8	E35 E36 I37 Y38 V56 C60 D81	E35-L58 PolarHBondContact O-N 3.21Å; E36-L58 WeakPolarHBondContact CA-O 3.33Å; E36-L58 HydrophobicContact CB-CB 4.29Å; E36-L58 HydrophobicContact CG-CB 4.07Å; I37-L58 PolarHBondContact N-O 2.72Å; Y38-L58 HydrophobicContact CD1-CD2 4.49Å; Y38-L58 HydrophobicContact CE1-CD2 3.91Å; Y38-L58 HydrophobicContact CE2-CD2 4.45Å; V56-L58 WeakPolarHBondContact CG2-O 3.31Å; L58-C60 HydrophobicContact CD2-CB 3.89Å; L58-D81 WeakPolarHBondContact CA-O 3.33Å; L58-D81 HydrophobicContact CB-CB 4.05Å; L58-D81 HydrophobicContact CD1-CB 4.08Å; L58-D81 HydrophobicContact CG-CB 3.87Å
59	L	98.5	Very high	96.9	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	110	173	-179.4	59.5	0	0	0	109.8	I37 L39 L50 V56 L61 I75 L79 D81 L82 D83	I37-L59 HydrophobicContact CB-CD1 4.1Å; I37-L59 HydrophobicContact CG2-CD1 3.98Å; L39-L59 HydrophobicContact CD1-CD1 4.4Å; L50-L59 HydrophobicContact CD1-CD2 4.23Å; L50-L59 HydrophobicContact CD2-CD2 3.92Å; V56-L59 HydrophobicContact CG2-CB 4.2Å; L59-L61 HydrophobicContact CD1-CD1 4.44Å; L59-L61 HydrophobicContact CD1-CG 4.25Å; L59-L61 HydrophobicContact CD2-CD1 3.82Å; L59-L61 HydrophobicContact CD2-CG 4.49Å; L59-L61 HydrophobicContact CG-CD1 3.89Å; L59-L61 HydrophobicContact CG-CG 4.06Å; L59-I75 HydrophobicContact CD2-CD1 3.9Å; L59-L79 HydrophobicContact CB-CD1 3.61Å; L59-D81 PolarHBondContact N-O 2.87Å; L59-L82 HydrophobicContact CB-CD1 4.28Å; L59-L82 HydrophobicContact CD2-CD1 4.28Å; L59-L82 HydrophobicContact CG-CD1 4.36Å; L59-D83 PolarHBondContact O-N 3.35Å
60	C	98.3	Very high	97.2	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.02	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	119.4	177.4	-178.9	0	0	0	0	110.6	I37 Y38 L39 E40 L58 R62 D83	I37-C60 PolarHBondContact O-N 2.93Å; Y38-C60 HydrophobicContact CD1-CB 3.57Å; Y38-C60 HydrophobicContact CE1-CB 4.1Å; Y38-C60 HydrophobicContact CG-CB 4.25Å; L39-C60 WeakPolarHBondContact CA-O 3.07Å; L39-C60 PolarHBondContact N-O 3.25Å; E40-C60 VanDerWaalsContact CG-SG 3.6Å; E40-C60 PolarHBondContact OE1-SG 3.49Å; L58-C60 HydrophobicContact CD2-CB 3.89Å; C60-R62 VanDerWaalsContact SG-CG 3.53Å; C60-D83 HydrophobicContact CB-CB 4.46Å
61	L	98.2	Very high	97.2	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.216	C	C	.	.			trans	-126.3	33.2	-176.2	-73.9	163.4	0	0	0	111	I24 L39 I44 I47 L59 N64 L66 D83 V84 N87	I24-L61 HydrophobicContact CD1-CD1 4.46Å; I24-L61 HydrophobicContact CD1-CD2 3.92Å; I24-L61 HydrophobicContact CG1-CD2 4.38Å; L39-L61 HydrophobicContact CB-CD2 3.87Å; L39-L61 HydrophobicContact CD1-CD2 4.06Å; I44-L61 HydrophobicContact CD1-CD2 3.83Å; I47-L61 HydrophobicContact CD1-CD1 4.27Å; I47-L61 HydrophobicContact CG1-CD1 4.07Å; L59-L61 HydrophobicContact CD1-CD1 4.44Å; L59-L61 HydrophobicContact CD1-CG 4.25Å; L59-L61 HydrophobicContact CD2-CD1 3.82Å; L59-L61 HydrophobicContact CD2-CG 4.49Å; L59-L61 HydrophobicContact CG-CD1 3.89Å; L59-L61 HydrophobicContact CG-CG 4.06Å; L61-N64 VanDerWaalsContact C-ND2 3.26Å; L61-N64 PolarHBondContact O-ND2 3.41Å; L61-L66 HydrophobicContact CB-CD1 4.17Å; L61-L66 HydrophobicContact CD1-CD1 4.12Å; L61-D83 WeakPolarHBondContact CA-O 3.18Å; L61-D83 PolarHBondContact N-O 2.94Å; L61-V84 HydrophobicContact CB-CG1 4.13Å; L61-V84 HydrophobicContact CD1-CG1 4.17Å; L61-N87 PolarHBondContact O-ND2 3.07Å
62	R	98.4	Very high	97.4	Very high	90 Å²	90	41.2 Å²	41.2	34%	0.34	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	146.1	-177.5	-66	-171.2	164.5	176.9	2.3	113.4	E40 H41 C60 N64 D83 Y85	E40-R62 VanDerWaalsContact CA-O 3.31Å; E40-R62 WeakPolarHBondContact CA-O 3.38Å; E40-R62 HydrophobicContact CB-CB 4.33Å; E40-R62 HydrophobicContact CG-CB 3.98Å; H41-R62 PolarHBondContact N-O 3.37Å; C60-R62 VanDerWaalsContact SG-CG 3.53Å; R62-N64 VanDerWaalsContact C-N 3.34Å; R62-N64 PolarHBondContact O-N 2.77Å; R62-N64 PolarHBondContact O-ND2 3.11Å; R62-D83 VanDerWaalsContact CG-OD1 3.27Å; R62-D83 WeakPolarHBondContact CG-OD1 3.33Å; R62-D83 IonicContact CZ-OD2 2.99Å; R62-D83 VanDerWaalsContact NE-CG 3.26Å; R62-D83 IonicContact NE-OD1 3.4Å; R62-D83 PolarHBondContact NE-OD1 2.67Å; R62-D83 IonicContact NE-OD2 3.98Å; R62-D83 PolarHBondContact NE-OD2 3.47Å; R62-D83 IonicContact NH2-OD2 3.5Å; R62-D83 PolarHBondContact NH2-OD2 3.04Å; R62-Y85 CarbonylContact C-O 3.44Å; R62-Y85 VanDerWaalsContact CA-O 3.27Å; R62-Y85 WeakPolarHBondContact CA-O 3.19Å
63	N	98	Very high	97.6	Very high	45 Å²	45	43 Å²	43	24%	0.241	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	45.2	169.5	-57.4	93.8	0	0	0	113.2	H41 Y85 D86	H41-N63 WeakPolarHBondContact CA-O 3.25Å; H41-N63 WeakPolarHBondContact CE1-CB 3.34Å; H41-N63 PolarHBondContact CE1-OD1 3.27Å; H41-N63 WeakPolarHBondContact ND1-CB 3.34Å; N63-Y85 PolarHBondContact N-O 3.3Å; N63-D86 CarbonylContact C-O 3.24Å; N63-D86 WeakPolarHBondContact CA-O 3.48Å; N63-D86 PolarHBondContact N-O 2.85Å; N63-D86 PolarHBondContact ND2-OD2 3.5Å
64	N	97.7	Very high	97.7	Very high	6 Å²	6	46.1 Å²	46.1	3%	0.032	22%	0.223	C	C	.	.			trans	-108.9	-166.5	177	-80.9	-65.3	0	0	0	111.4	L39 C42 R43 I44 L61 R62 L66 D86 N87	L39-N64 PolarHBondContact O-ND2 2.78Å; C42-N64 PolarHBondContact N-OD1 3.06Å; C42-N64 VanDerWaalsContact N-OD1 3.14Å; R43-N64 PolarHBondContact N-OD1 3.44Å; I44-N64 HydrophobicContact CB-CB 4.18Å; I44-N64 WeakPolarHBondContact CB-OD1 3.32Å; I44-N64 PolarHBondContact N-OD1 2.74Å; L61-N64 VanDerWaalsContact C-ND2 3.26Å; L61-N64 PolarHBondContact O-ND2 3.41Å; R62-N64 VanDerWaalsContact C-N 3.34Å; R62-N64 PolarHBondContact O-N 2.77Å; R62-N64 PolarHBondContact O-ND2 3.11Å; N64-L66 HydrophobicContact CB-CG 4.36Å; N64-D86 PolarHBondContact N-O 3.13Å; N64-N87 WeakPolarHBondContact CA-OD1 3.14Å; N64-N87 WeakPolarHBondContact CB-OD1 3.15Å; N64-N87 PolarHBondContact O-OD1 2.99Å
65	L	97.2	Very high	97.9	Very high	52 Å²	52	43.2 Å²	43.2	27%	0.272	21%	0.205	S	C	.	.			trans	-115.2	22	-177.1	-55.7	177.6	0	0	0	112.1	R43 I44 K45 K67 N87	R43-L65 HydrophobicContact CB-CD1 4.05Å; I44-L65 CarbonylContact O-C 3.42Å; I44-L65 VanDerWaalsContact O-C 3.24Å; I44-L65 VanDerWaalsContact O-CA 3.26Å; I44-L65 WeakPolarHBondContact O-CA 3.48Å; I44-L65 WeakPolarHBondContact O-CB 3.34Å; I44-L65 PolarHBondContact O-N 3.42Å; K45-L65 HydrophobicContact CG-CB 3.96Å; K45-L65 HydrophobicContact CG-CD1 4.26Å; L65-K67 PolarHBondContact O-N 2.99Å; L65-N87 PolarHBondContact N-OD1 2.74Å
66	L	98.2	Very high	98	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.189	C	C	.	.			trans	-62.6	128.3	-177.6	-60.6	175.2	0	0	0	110.3	I44 I47 L61 N64 V84 N87 Q88 I89	I44-L66 HydrophobicContact CG2-CD2 3.78Å; I44-L66 PolarHBondContact O-N 3.36Å; I47-L66 HydrophobicContact CD1-CD1 4.04Å; I47-L66 HydrophobicContact CD1-CD2 4.49Å; I47-L66 HydrophobicContact CG1-CD1 4.02Å; I47-L66 HydrophobicContact CG1-CD2 3.87Å; L61-L66 HydrophobicContact CB-CD1 4.17Å; L61-L66 HydrophobicContact CD1-CD1 4.12Å; N64-L66 HydrophobicContact CB-CG 4.36Å; L66-V84 HydrophobicContact CD1-CG1 4.31Å; L66-N87 HydrophobicContact CB-CB 4.13Å; L66-N87 VanDerWaalsContact CB-OD1 3.25Å; L66-N87 WeakPolarHBondContact CB-OD1 3.48Å; L66-N87 WeakPolarHBondContact CG-OD1 3.35Å; L66-N87 PolarHBondContact N-OD1 2.92Å; L66-Q88 CarbonylContact O-C 3.39Å; L66-Q88 WeakPolarHBondContact O-CA 3.24Å; L66-Q88 WeakPolarHBondContact O-CB 3.45Å; L66-Q88 PolarHBondContact O-N 3.14Å; L66-I89 HydrophobicContact CB-CG1 4.32Å; L66-I89 PolarHBondContact O-N 2.98Å
67	K	97.4	Very high	97.9	Very high	135 Å²	135	45.6 Å²	45.6	59%	0.587	22%	0.215	S	C	*	.			trans	-101.9	-20.7	177.1	-66.8	-179.2	-178.2	176.7	0	113.4	L65 Q88	L65-K67 PolarHBondContact O-N 2.99Å; K67-Q88 HydrophobicContact CG-CB 4.15Å
68	K	97.9	Very high	97.9	Very high	95 Å²	95	42.5 Å²	42.5	41%	0.413	21%	0.207	S	C	.	.	S	Bend	trans	-146.1	156.8	-179.3	52.2	167.1	167.4	152.3	0	109.6	E70	K68-E70 VanDerWaalsContact CE-CD 3.42Å; K68-E70 WeakPolarHBondContact CE-OE1 3.35Å; K68-E70 VanDerWaalsContact CE-OE2 3.25Å; K68-E70 WeakPolarHBondContact CE-OE2 3.49Å; K68-E70 VanDerWaalsContact NZ-CD 3.34Å; K68-E70 IonicContact NZ-OE1 3.38Å; K68-E70 PolarHBondContact NZ-OE1 2.9Å; K68-E70 IonicContact NZ-OE2 2.64Å; K68-E70 PolarHBondContact NZ-OE2 3.04Å
69	L	98.6	Very high	97.9	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.199	C	C	.	.			trans	-91.1	132.5	171.2	-70.6	169.2	0	0	0	107.3	F72 V84 I89 E93 N94 L95 L106	L69-F72 HydrophobicContact CB-CE2 3.96Å; L69-F72 HydrophobicContact CD2-CE2 4.08Å; L69-F72 HydrophobicContact CD2-CZ 3.95Å; L69-V84 HydrophobicContact CD2-CG1 4.23Å; L69-V84 HydrophobicContact CD2-CG2 4.28Å; L69-I89 HydrophobicContact CD1-CG2 4.3Å; L69-I89 HydrophobicContact CD2-CD1 3.77Å; L69-I89 HydrophobicContact CG-CD1 4.04Å; L69-I89 HydrophobicContact CG-CG2 4.22Å; L69-E93 WeakPolarHBondContact CB-O 3.34Å; L69-N94 PolarHBondContact O-ND2 2.85Å; L69-L95 HydrophobicContact CB-CD2 4.44Å; L69-L95 HydrophobicContact CD1-CD1 4.08Å; L69-L95 HydrophobicContact CD1-CD2 4.09Å; L69-L95 HydrophobicContact CD1-CG 4.16Å; L69-L95 HydrophobicContact CD2-CD2 4.49Å; L69-L106 HydrophobicContact CD1-CD2 3.99Å
70	E	97.8	Very high	97.9	Very high	25 Å²	25	43.6 Å²	43.6	12%	0.117	21%	0.211	C	C	.	.			trans	-167.2	165.2	-175	58.1	-175	146.9	0	0	112.4	C46 I47 K68 F72	C46-E70 WeakPolarHBondContact CB-OE1 3.06Å; I47-E70 HydrophobicContact CB-CG 4.26Å; I47-E70 WeakPolarHBondContact CB-O 3.17Å; I47-E70 WeakPolarHBondContact CG2-O 2.83Å; K68-E70 VanDerWaalsContact CE-CD 3.42Å; K68-E70 WeakPolarHBondContact CE-OE1 3.35Å; K68-E70 VanDerWaalsContact CE-OE2 3.25Å; K68-E70 WeakPolarHBondContact CE-OE2 3.49Å; K68-E70 VanDerWaalsContact NZ-CD 3.34Å; K68-E70 IonicContact NZ-OE1 3.38Å; K68-E70 PolarHBondContact NZ-OE1 2.9Å; K68-E70 IonicContact NZ-OE2 2.64Å; K68-E70 PolarHBondContact NZ-OE2 3.04Å; E70-F72 VanDerWaalsContact C-N 3.34Å; E70-F72 PolarHBondContact O-N 3.49Å
71	N	97.2	Very high	98	Very high	70 Å²	70	45.2 Å²	45.2	37%	0.374	22%	0.22	S	C	.	.			trans	61	33.5	166.8	-56.2	-42.1	0	0	0	115.3	I47 L50 E73 P74	I47-N71 HydrophobicContact CG2-CB 4.42Å; I47-N71 PolarHBondContact O-ND2 3.2Å; L50-N71 WeakPolarHBondContact CD1-O 3.46Å; N71-E73 WeakPolarHBondContact CA-OE2 3.33Å; N71-P74 WeakPolarHBondContact O-CD 3.49Å
72	F	98.3	Very high	98	Very high	1 Å²	1	45.2 Å²	45.2	0%	0.004	22%	0.22	C	C	.	.			trans	-85.7	-9.8	-179.9	-68.7	-71.4	0	0	0	114.4	I47 L50 L69 E70 P74 I75 S76 L79 L82 N94 L95 L98	I47-F72 HydrophobicContact CD1-CE1 4.04Å; I47-F72 HydrophobicContact CD1-CE2 4.07Å; I47-F72 HydrophobicContact CD1-CZ 3.47Å; I47-F72 VanDerWaalsContact CD1-CZ 3.47Å; L50-F72 HydrophobicContact CD1-CD1 3.89Å; L50-F72 HydrophobicContact CD1-CE1 4.37Å; L69-F72 HydrophobicContact CB-CE2 3.96Å; L69-F72 HydrophobicContact CD2-CE2 4.08Å; L69-F72 HydrophobicContact CD2-CZ 3.95Å; E70-F72 VanDerWaalsContact C-N 3.34Å; E70-F72 PolarHBondContact O-N 3.49Å; F72-P74 VanDerWaalsContact C-N 3.32Å; F72-I75 HydrophobicContact CD1-CD1 4.41Å; F72-I75 WeakPolarHBondContact O-CG1 3.43Å; F72-I75 PolarHBondContact O-N 3.19Å; F72-I75 VanDerWaalsContact O-N 3.08Å; F72-S76 PolarHBondContact O-N 3.4Å; F72-S76 VanDerWaalsContact O-N 3.09Å; F72-L79 HydrophobicContact CD1-CD2 4.38Å; F72-L82 HydrophobicContact CE1-CD1 3.97Å; F72-L82 HydrophobicContact CE1-CD2 3.85Å; F72-L82 HydrophobicContact CZ-CD1 4.36Å; F72-L82 HydrophobicContact CZ-CD2 3.73Å; F72-N94 WeakPolarHBondContact CD2-O 3.39Å; F72-L95 HydrophobicContact CD2-CD2 4.08Å; F72-L95 HydrophobicContact CE2-CD2 3.7Å; F72-L95 HydrophobicContact CZ-CD2 4.25Å; F72-L98 HydrophobicContact CB-CD1 4.32Å; F72-L98 HydrophobicContact CB-CD2 3.77Å; F72-L98 HydrophobicContact CB-CG 4.16Å; F72-L98 HydrophobicContact CD1-CD1 4.22Å; F72-L98 HydrophobicContact CD1-CD2 4.47Å; F72-L98 HydrophobicContact CD2-CD1 4.36Å; F72-L98 HydrophobicContact CG-CD1 4.06Å; F72-L98 HydrophobicContact CG-CD2 4.3Å; F72-L98 HydrophobicContact CG-CG 4.44Å
73	E	97.8	Very high	98	Very high	115 Å²	115	41.6 Å²	41.6	54%	0.537	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-51.3	-41.1	-177	-63	80.5	178.8	0	0	113.9	N71 I75 S76	N71-E73 WeakPolarHBondContact CA-OE2 3.33Å; E73-I75 PolarHBondContact O-N 3.17Å; E73-S76 PolarHBondContact O-N 2.96Å
74	P	97.5	Very high	98.1	Very high	64 Å²	64	39.5 Å²	39.5	42%	0.416	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-62.1	-28.4	-179.3	-24.7	36.1	0	0	0	114.5	L50 D51 N71 F72	L50-P74 HydrophobicContact CB-CB 4.4Å; L50-P74 HydrophobicContact CB-CG 4.48Å; D51-P74 HydrophobicContact CB-CB 3.95Å; D51-P74 HydrophobicContact CB-CG 4.34Å; N71-P74 WeakPolarHBondContact O-CD 3.49Å; F72-P74 VanDerWaalsContact C-N 3.32Å
75	I	97.5	Very high	98.1	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-113.8	10.1	-175.5	64.3	170.3	0	0	0	112.4	L50 F53 V56 L59 F72 E73 Q77 T78 L79	L50-I75 HydrophobicContact CB-CD1 4.26Å; L50-I75 HydrophobicContact CB-CG1 4.29Å; L50-I75 HydrophobicContact CB-CG2 3.91Å; L50-I75 HydrophobicContact CD1-CD1 3.56Å; L50-I75 HydrophobicContact CD1-CG1 4Å; L50-I75 HydrophobicContact CD2-CD1 4.37Å; L50-I75 HydrophobicContact CG-CD1 4.28Å; L50-I75 VanDerWaalsContact O-CG2 3.23Å; L50-I75 WeakPolarHBondContact O-CG2 3.28Å; F53-I75 WeakPolarHBondContact O-CG2 3.35Å; V56-I75 HydrophobicContact CG1-CB 3.68Å; V56-I75 HydrophobicContact CG1-CD1 3.66Å; V56-I75 HydrophobicContact CG1-CG1 4.29Å; V56-I75 HydrophobicContact CG1-CG2 3.5Å; V56-I75 VanDerWaalsContact CG1-CG2 3.5Å; L59-I75 HydrophobicContact CD2-CD1 3.9Å; F72-I75 HydrophobicContact CD1-CD1 4.41Å; F72-I75 WeakPolarHBondContact O-CG1 3.43Å; F72-I75 PolarHBondContact O-N 3.19Å; F72-I75 VanDerWaalsContact O-N 3.08Å; E73-I75 PolarHBondContact O-N 3.17Å; I75-Q77 PolarHBondContact O-N 2.93Å; I75-Q77 VanDerWaalsContact O-N 3.12Å; I75-T78 PolarHBondContact O-N 2.96Å; I75-T78 PolarHBondContact O-OG1 3.04Å; I75-L79 HydrophobicContact CD1-CB 4.37Å; I75-L79 HydrophobicContact CD1-CD1 4.18Å; I75-L79 HydrophobicContact CD1-CD2 3.93Å; I75-L79 HydrophobicContact CD1-CG 4.4Å; I75-L79 HydrophobicContact CG1-CB 4.45Å; I75-L79 WeakPolarHBondContact O-CB 3.42Å; I75-L79 PolarHBondContact O-N 2.95Å
76	S	97.8	Very high	98.2	Very high	11 Å²	11	43 Å²	43	8%	0.077	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-22	-173.8	105	0	0	0	0	113.2	F72 E73 C97	F72-S76 PolarHBondContact O-N 3.4Å; F72-S76 VanDerWaalsContact O-N 3.09Å; E73-S76 PolarHBondContact O-N 2.96Å; S76-C97 WeakPolarHBondContact CB-O 3.41Å; S76-C97 PolarHBondContact OG-O 3.1Å
77	Q	97.4	Very high	98.2	Very high	114 Å²	114	43.3 Å²	43.3	53%	0.533	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-3.6	179.4	-59.5	-54.2	-56.3	0	0	113.5	I75 K100	I75-Q77 PolarHBondContact O-N 2.93Å; I75-Q77 VanDerWaalsContact O-N 3.12Å; Q77-K100 VanDerWaalsContact O-CD 3.26Å; Q77-K100 WeakPolarHBondContact O-CD 3.27Å; Q77-K100 WeakPolarHBondContact O-CE 3.39Å; Q77-K100 PolarHBondContact O-NZ 2.64Å
78	T	98.3	Very high	98.3	Very high	34 Å²	34	39 Å²	39	21%	0.209	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.4	-32.9	-175.8	56.7	0	0	0	0	112.8	P54 V56 R57 I75 E80	P54-T78 WeakPolarHBondContact O-CG2 3.42Å; V56-T78 CarbonylContact O-C 3.37Å; V56-T78 VanDerWaalsContact O-C 3.23Å; V56-T78 WeakPolarHBondContact O-CB 3.19Å; V56-T78 PolarHBondContact O-OG1 2.81Å; R57-T78 WeakPolarHBondContact CG-O 3.48Å; I75-T78 PolarHBondContact O-N 2.96Å; I75-T78 PolarHBondContact O-OG1 3.04Å; T78-E80 PolarHBondContact O-N 3.42Å
79	L	98.8	Very high	98.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.174	C	C	.	.			trans	-66.7	124.1	-172.9	-166	69	0	0	0	112.9	V56 L59 F72 I75 D81 L82 L98 K100 L101	V56-L79 HydrophobicContact CG1-CD1 4.46Å; V56-L79 HydrophobicContact CG2-CD1 4.45Å; V56-L79 PolarHBondContact O-N 3.08Å; L59-L79 HydrophobicContact CB-CD1 3.61Å; F72-L79 HydrophobicContact CD1-CD2 4.38Å; I75-L79 HydrophobicContact CD1-CB 4.37Å; I75-L79 HydrophobicContact CD1-CD1 4.18Å; I75-L79 HydrophobicContact CD1-CD2 3.93Å; I75-L79 HydrophobicContact CD1-CG 4.4Å; I75-L79 HydrophobicContact CG1-CB 4.45Å; I75-L79 WeakPolarHBondContact O-CB 3.42Å; I75-L79 PolarHBondContact O-N 2.95Å; L79-D81 WeakPolarHBondContact CD1-O 3.42Å; L79-L82 HydrophobicContact CD2-CB 4.16Å; L79-L82 HydrophobicContact CD2-CD1 4.38Å; L79-L98 HydrophobicContact CB-CD2 4.23Å; L79-L98 HydrophobicContact CD2-CD1 4.06Å; L79-L98 HydrophobicContact CD2-CD2 3.84Å; L79-K100 CarbonylContact O-C 3.36Å; L79-K100 WeakPolarHBondContact O-CB 3.34Å; L79-L101 HydrophobicContact CD2-CD1 4.29Å; L79-L101 HydrophobicContact CG-CD1 4.14Å
80	E	98.9	Very high	98.3	Very high	55 Å²	55	38.4 Å²	38.4	26%	0.257	20%	0.198	S	C	.	.			trans	-118.6	-24	-179.4	-72	172.5	-151.3	0	0	112.5	R57 T78 K100 T102 N103	R57-E80 IonicContact CZ-OE1 3.29Å; R57-E80 IonicContact CZ-OE2 2.68Å; R57-E80 VanDerWaalsContact NE-CD 3.34Å; R57-E80 IonicContact NE-OE1 3.77Å; R57-E80 PolarHBondContact NE-OE1 3.18Å; R57-E80 IonicContact NE-OE2 2.68Å; R57-E80 PolarHBondContact NE-OE2 2.56Å; R57-E80 VanDerWaalsContact NH2-CD 3.31Å; R57-E80 IonicContact NH2-OE1 3.98Å; R57-E80 PolarHBondContact NH2-OE1 3.48Å; R57-E80 VanDerWaalsContact NH2-OE1 3.1Å; R57-E80 IonicContact NH2-OE2 3.82Å; R57-E80 PolarHBondContact NH2-OE2 2.92Å; R57-E80 CarbonylContact O-C 3.15Å; R57-E80 WeakPolarHBondContact O-CA 3.45Å; R57-E80 PolarHBondContact O-N 3.23Å; T78-E80 PolarHBondContact O-N 3.42Å; E80-K100 HydrophobicContact CG-CB 4.38Å; E80-T102 PolarHBondContact O-N 2.95Å; E80-T102 PolarHBondContact O-OG1 3.37Å; E80-N103 PolarHBondContact O-N 3.34Å; E80-N103 VanDerWaalsContact O-N 3.11Å
81	D	98.9	Very high	98.4	Very high	37 Å²	37	40.9 Å²	40.9	20%	0.198	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	121.5	-179.7	-162.6	-35.8	0	0	0	110.1	R57 L58 L59 L79 N103	R57-D81 PolarHBondContact O-N 3.35Å; L58-D81 WeakPolarHBondContact CA-O 3.33Å; L58-D81 HydrophobicContact CB-CB 4.05Å; L58-D81 HydrophobicContact CD1-CB 4.08Å; L58-D81 HydrophobicContact CG-CB 3.87Å; L59-D81 PolarHBondContact N-O 2.87Å; L79-D81 WeakPolarHBondContact CD1-O 3.42Å; D81-N103 HydrophobicContact CB-CB 4.3Å; D81-N103 WeakPolarHBondContact OD2-CB 3.22Å; D81-N103 PolarHBondContact OD2-ND2 2.76Å
82	L	98.9	Very high	98.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	116.5	178	177.7	60.9	0	0	0	109.5	L59 F72 L79 V84 L95 L98 L101 N103 L104 D105	L59-L82 HydrophobicContact CB-CD1 4.28Å; L59-L82 HydrophobicContact CD2-CD1 4.28Å; L59-L82 HydrophobicContact CG-CD1 4.36Å; F72-L82 HydrophobicContact CE1-CD1 3.97Å; F72-L82 HydrophobicContact CE1-CD2 3.85Å; F72-L82 HydrophobicContact CZ-CD1 4.36Å; F72-L82 HydrophobicContact CZ-CD2 3.73Å; L79-L82 HydrophobicContact CD2-CB 4.16Å; L79-L82 HydrophobicContact CD2-CD1 4.38Å; L82-V84 HydrophobicContact CD1-CG1 3.88Å; L82-V84 HydrophobicContact CG-CG1 4.15Å; L82-L95 HydrophobicContact CD2-CD2 4.01Å; L82-L98 HydrophobicContact CD2-CD1 4.14Å; L82-L101 HydrophobicContact CB-CD1 3.75Å; L82-L101 HydrophobicContact CB-CD2 4.41Å; L82-N103 PolarHBondContact N-O 3.37Å; L82-N103 VanDerWaalsContact N-O 3.08Å; L82-L104 HydrophobicContact CB-CD1 4.12Å; L82-L104 HydrophobicContact CD2-CD1 3.98Å; L82-L104 HydrophobicContact CG-CD1 4.13Å; L82-L104 WeakPolarHBondContact O-CA 3.36Å; L82-D105 PolarHBondContact O-N 2.82Å
83	D	98.9	Very high	98.4	Very high	14 Å²	14	39.7 Å²	39.7	8%	0.075	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	110.1	176.8	-169.8	-33	0	0	0	110	L59 C60 L61 R62 Y85 D105	L59-D83 PolarHBondContact O-N 3.35Å; C60-D83 HydrophobicContact CB-CB 4.46Å; L61-D83 WeakPolarHBondContact CA-O 3.18Å; L61-D83 PolarHBondContact N-O 2.94Å; R62-D83 VanDerWaalsContact CG-OD1 3.27Å; R62-D83 WeakPolarHBondContact CG-OD1 3.33Å; R62-D83 IonicContact CZ-OD2 2.99Å; R62-D83 VanDerWaalsContact NE-CG 3.26Å; R62-D83 IonicContact NE-OD1 3.4Å; R62-D83 PolarHBondContact NE-OD1 2.67Å; R62-D83 IonicContact NE-OD2 3.98Å; R62-D83 PolarHBondContact NE-OD2 3.47Å; R62-D83 IonicContact NH2-OD2 3.5Å; R62-D83 PolarHBondContact NH2-OD2 3.04Å; D83-Y85 WeakPolarHBondContact OD1-CB 3.26Å; D83-Y85 PolarHBondContact OD1-N 3.15Å; D83-D105 HydrophobicContact CB-CB 4.44Å
84	V	98.8	Very high	98.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.19	C	C	.	.			trans	-119.8	31.9	176.2	-67.2	0	0	0	0	110.7	L61 L66 L69 L82 N87 I89 D105 L106 N109	L61-V84 HydrophobicContact CB-CG1 4.13Å; L61-V84 HydrophobicContact CD1-CG1 4.17Å; L66-V84 HydrophobicContact CD1-CG1 4.31Å; L69-V84 HydrophobicContact CD2-CG1 4.23Å; L69-V84 HydrophobicContact CD2-CG2 4.28Å; L82-V84 HydrophobicContact CD1-CG1 3.88Å; L82-V84 HydrophobicContact CG-CG1 4.15Å; V84-N87 PolarHBondContact O-ND2 2.8Å; V84-I89 HydrophobicContact CB-CD1 3.9Å; V84-I89 HydrophobicContact CG2-CD1 3.74Å; V84-D105 WeakPolarHBondContact CG2-O 3.5Å; V84-D105 PolarHBondContact N-O 3.46Å; V84-L106 HydrophobicContact CG2-CD2 3.41Å; V84-L106 VanDerWaalsContact CG2-CD2 3.41Å; V84-L106 HydrophobicContact CG2-CG 4.19Å; V84-N109 PolarHBondContact O-ND2 3.28Å
85	Y	98.8	Very high	98.5	Very high	64 Å²	64	33.9 Å²	33.9	25%	0.251	17%	0.17	S	C	.	.			trans	-55.9	142.5	178.4	175.9	-71.2	0	0	0	111.7	R62 N63 D83 N87 S107 F108	R62-Y85 CarbonylContact C-O 3.44Å; R62-Y85 VanDerWaalsContact CA-O 3.27Å; R62-Y85 WeakPolarHBondContact CA-O 3.19Å; N63-Y85 PolarHBondContact N-O 3.3Å; D83-Y85 WeakPolarHBondContact OD1-CB 3.26Å; D83-Y85 PolarHBondContact OD1-N 3.15Å; Y85-N87 PolarHBondContact O-ND2 2.89Å; Y85-S107 WeakPolarHBondContact CA-O 3.38Å; Y85-F108 HydrophobicContact CD1-CB 4.5Å; Y85-F108 AromaticContact CD2-CD2 3.93Å; Y85-F108 HydrophobicContact CD2-CD2 3.93Å; Y85-F108 HydrophobicContact CE1-CB 4.24Å; Y85-F108 AromaticContact CE1-CD2 3.99Å; Y85-F108 HydrophobicContact CE1-CD2 3.99Å; Y85-F108 HydrophobicContact CE1-CG 4.06Å; Y85-F108 AromaticContact CE2-CD2 3.14Å; Y85-F108 HydrophobicContact CE2-CD2 3.14Å; Y85-F108 AromaticContact CE2-CE2 3.47Å; Y85-F108 HydrophobicContact CE2-CE2 3.47Å; Y85-F108 VanDerWaalsContact CE2-CE2 3.47Å; Y85-F108 HydrophobicContact CE2-CG 4.03Å; Y85-F108 AromaticContact CZ-CD2 3.15Å; Y85-F108 AromaticContact CZ-CE2 3.46Å; Y85-F108 VanDerWaalsContact CZ-CE2 3.46Å; Y85-F108 AromaticContact CZ-CG 3.65Å; Y85-F108 WeakPolarHBondContact OH-CD2 3.23Å; Y85-F108 WeakPolarHBondContact OH-CE2 3.31Å; Y85-F108 VanDerWaalsContact OH-CZ 3.29Å; Y85-F108 WeakPolarHBondContact OH-CZ 3.42Å
86	D	98.6	Very high	98.6	Very high	67 Å²	67	38.3 Å²	38.3	36%	0.358	19%	0.191	S	C	.	.	S	Bend	trans	53.5	64.4	178.9	-165	30.7	0	0	0	113.4	N63 N64 S107 F108	N63-D86 CarbonylContact C-O 3.24Å; N63-D86 WeakPolarHBondContact CA-O 3.48Å; N63-D86 PolarHBondContact N-O 2.85Å; N63-D86 PolarHBondContact ND2-OD2 3.5Å; N64-D86 PolarHBondContact N-O 3.13Å; D86-S107 PolarHBondContact N-O 3.24Å; D86-F108 VanDerWaalsContact CA-O 3.29Å; D86-F108 WeakPolarHBondContact CA-O 3.22Å; D86-F108 HydrophobicContact CB-CB 3.93Å
87	N	98.7	Very high	98.6	Very high	7 Å²	7	39.3 Å²	39.3	4%	0.037	20%	0.198	C	C	.	.	S	Bend	trans	-125.2	-165.4	173.1	-86.3	-80.1	0	0	0	109.5	L61 N64 L65 L66 V84 Y85 I89 F108 N109	L61-N87 PolarHBondContact O-ND2 3.07Å; N64-N87 WeakPolarHBondContact CA-OD1 3.14Å; N64-N87 WeakPolarHBondContact CB-OD1 3.15Å; N64-N87 PolarHBondContact O-OD1 2.99Å; L65-N87 PolarHBondContact N-OD1 2.74Å; L66-N87 HydrophobicContact CB-CB 4.13Å; L66-N87 VanDerWaalsContact CB-OD1 3.25Å; L66-N87 WeakPolarHBondContact CB-OD1 3.48Å; L66-N87 WeakPolarHBondContact CG-OD1 3.35Å; L66-N87 PolarHBondContact N-OD1 2.92Å; V84-N87 PolarHBondContact O-ND2 2.8Å; Y85-N87 PolarHBondContact O-ND2 2.89Å; N87-I89 HydrophobicContact CB-CD1 4.14Å; N87-I89 HydrophobicContact CB-CG1 4.18Å; N87-F108 PolarHBondContact N-O 3.48Å; N87-N109 WeakPolarHBondContact CA-OD1 3.3Å; N87-N109 WeakPolarHBondContact CB-OD1 3.16Å; N87-N109 PolarHBondContact N-OD1 2.93Å; N87-N109 PolarHBondContact O-OD1 3.36Å
88	Q	98.4	Very high	98.6	Very high	45 Å²	45	33.9 Å²	33.9	21%	0.21	17%	0.172	C	C	.	.			trans	-114.8	23.1	-179.4	-56.4	-172.2	51.4	0	0	112.3	L66 K67 T90 N109 R110	L66-Q88 CarbonylContact O-C 3.39Å; L66-Q88 WeakPolarHBondContact O-CA 3.24Å; L66-Q88 WeakPolarHBondContact O-CB 3.45Å; L66-Q88 PolarHBondContact O-N 3.14Å; K67-Q88 HydrophobicContact CG-CB 4.15Å; Q88-T90 PolarHBondContact O-N 2.9Å; Q88-N109 PolarHBondContact N-OD1 3.02Å; Q88-R110 VanDerWaalsContact OE1-NH2 3.11Å
89	I	98.8	Very high	98.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.182	C	C	.	.			trans	-66.9	126.6	-174.8	-60.8	162.1	0	0	0	109.2	L66 L69 V84 N87 K91 L106 N109 R110 I111	L66-I89 HydrophobicContact CB-CG1 4.32Å; L66-I89 PolarHBondContact O-N 2.98Å; L69-I89 HydrophobicContact CD1-CG2 4.3Å; L69-I89 HydrophobicContact CD2-CD1 3.77Å; L69-I89 HydrophobicContact CG-CD1 4.04Å; L69-I89 HydrophobicContact CG-CG2 4.22Å; V84-I89 HydrophobicContact CB-CD1 3.9Å; V84-I89 HydrophobicContact CG2-CD1 3.74Å; N87-I89 HydrophobicContact CB-CD1 4.14Å; N87-I89 HydrophobicContact CB-CG1 4.18Å; I89-K91 WeakPolarHBondContact CG2-O 3.32Å; I89-L106 HydrophobicContact CD1-CD2 4.38Å; I89-N109 HydrophobicContact CB-CB 4.25Å; I89-N109 VanDerWaalsContact CB-OD1 3.23Å; I89-N109 WeakPolarHBondContact CB-OD1 3Å; I89-N109 WeakPolarHBondContact CG1-OD1 3.23Å; I89-N109 PolarHBondContact N-OD1 2.77Å; I89-R110 CarbonylContact O-C 3.58Å; I89-R110 WeakPolarHBondContact O-CA 3.41Å; I89-R110 PolarHBondContact O-N 3.25Å; I89-I111 HydrophobicContact CG2-CD1 4.43Å; I89-I111 HydrophobicContact CG2-CG1 4.29Å; I89-I111 PolarHBondContact O-N 2.98Å
90	T	98.6	Very high	98.6	Very high	82 Å²	82	40.5 Å²	40.5	50%	0.503	20%	0.201	S	C	.	.			trans	-101.8	-16.5	-179.7	53.7	0	0	0	0	113.9	Q88 R110	Q88-T90 PolarHBondContact O-N 2.9Å; T90-R110 HydrophobicContact CG2-CB 3.93Å
91	K	98.7	Very high	98.6	Very high	77 Å²	77	37.9 Å²	37.9	34%	0.335	19%	0.189	S	C	.	.	S	Bend	trans	-146.8	140.6	-173	-168.4	-176.1	170.6	-156.5	0	110	I89 E93 E115	I89-K91 WeakPolarHBondContact CG2-O 3.32Å; K91-E93 IonicContact NZ-OE2 2.63Å; K91-E115 WeakPolarHBondContact CG-OE1 3.39Å
92	I	98.8	Very high	98.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.189	C	C	.	.			trans	-81.8	120.6	168.8	-51.7	177.1	0	0	0	107	L95 L106 I111 E115 N116 L117 F128	I92-L95 HydrophobicContact CG2-CD1 3.77Å; I92-L106 HydrophobicContact CD1-CD1 4.02Å; I92-L106 HydrophobicContact CG1-CD1 4.04Å; I92-L106 HydrophobicContact CG2-CD1 4.44Å; I92-I111 HydrophobicContact CD1-CG2 4.24Å; I92-I111 HydrophobicContact CG1-CD1 4Å; I92-I111 HydrophobicContact CG1-CG1 4.47Å; I92-I111 HydrophobicContact CG1-CG2 4Å; I92-E115 HydrophobicContact CB-CG 4.46Å; I92-E115 VanDerWaalsContact CB-O 3.31Å; I92-E115 WeakPolarHBondContact CB-O 3.44Å; I92-E115 VanDerWaalsContact CG2-O 3.23Å; I92-E115 WeakPolarHBondContact CG2-O 3.44Å; I92-N116 PolarHBondContact O-ND2 3.02Å; I92-L117 HydrophobicContact CG2-CD2 3.8Å; I92-L117 HydrophobicContact CG2-CG 4.46Å; I92-F128 HydrophobicContact CD1-CE1 3.54Å; I92-F128 HydrophobicContact CD1-CZ 3.69Å
93	E	98.6	Very high	98.6	Very high	46 Å²	46	39.1 Å²	39.1	22%	0.215	20%	0.197	C	C	.	.			trans	-160.7	162.6	-177.4	58.3	-171.2	165.7	0	0	110.5	L69 K91 L95	L69-E93 WeakPolarHBondContact CB-O 3.34Å; K91-E93 IonicContact NZ-OE2 2.63Å; E93-L95 PolarHBondContact O-N 3.48Å
94	N	98.4	Very high	98.6	Very high	57 Å²	57	38.5 Å²	38.5	31%	0.305	19%	0.193	S	C	.	.	S	Bend	trans	59.1	28.8	174.8	-51.4	-43.3	0	0	0	114.1	L69 F72 E96	L69-N94 PolarHBondContact O-ND2 2.85Å; F72-N94 WeakPolarHBondContact CD2-O 3.39Å; N94-E96 VanDerWaalsContact C-OE2 3.29Å; N94-E96 WeakPolarHBondContact CA-OE2 3.41Å; N94-E96 PolarHBondContact N-OE2 2.82Å
95	L	98.6	Very high	98.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.197	C	C	.	.			trans	-103.3	-6.3	175.3	-57.3	-177.7	0	0	0	112.2	L69 F72 L82 I92 E93 C97 L98 L104 L117 L120	L69-L95 HydrophobicContact CB-CD2 4.44Å; L69-L95 HydrophobicContact CD1-CD1 4.08Å; L69-L95 HydrophobicContact CD1-CD2 4.09Å; L69-L95 HydrophobicContact CD1-CG 4.16Å; L69-L95 HydrophobicContact CD2-CD2 4.49Å; F72-L95 HydrophobicContact CD2-CD2 4.08Å; F72-L95 HydrophobicContact CE2-CD2 3.7Å; F72-L95 HydrophobicContact CZ-CD2 4.25Å; L82-L95 HydrophobicContact CD2-CD2 4.01Å; I92-L95 HydrophobicContact CG2-CD1 3.77Å; E93-L95 PolarHBondContact O-N 3.48Å; L95-C97 PolarHBondContact O-N 3.08Å; L95-L98 HydrophobicContact CB-CD1 4.34Å; L95-L98 HydrophobicContact CD2-CD1 3.62Å; L95-L98 WeakPolarHBondContact O-CB 3.4Å; L95-L98 PolarHBondContact O-N 3.14Å; L95-L104 HydrophobicContact CD1-CD2 3.83Å; L95-L117 HydrophobicContact CD1-CD2 4.39Å; L95-L120 HydrophobicContact CB-CD1 4.05Å; L95-L120 HydrophobicContact CD1-CD1 4.22Å; L95-L120 WeakPolarHBondContact O-CD2 3.21Å
96	E	97.9	Very high	98.6	Very high	94 Å²	94	36.2 Å²	36.2	44%	0.439	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-23.3	-171.4	58.4	-89.6	-158.4	0	0	114.9	N94 N119	N94-E96 VanDerWaalsContact C-OE2 3.29Å; N94-E96 WeakPolarHBondContact CA-OE2 3.41Å; N94-E96 PolarHBondContact N-OE2 2.82Å; E96-N119 PolarHBondContact O-ND2 3.03Å
97	C	98.1	Very high	98.6	Very high	33 Å²	33	33 Å²	33	22%	0.223	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-13.5	178.9	65.7	0	0	0	0	113.7	S76 L95 I99	S76-C97 WeakPolarHBondContact CB-O 3.41Å; S76-C97 PolarHBondContact OG-O 3.1Å; L95-C97 PolarHBondContact O-N 3.08Å; C97-I99 PolarHBondContact O-N 3.06Å
98	L	98.5	Very high	98.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.181	C	C	.	.			trans	-81.3	51.7	-177.1	-61.7	-179.9	0	0	0	111.9	F72 L79 L82 L95 K100 L101 L120	F72-L98 HydrophobicContact CB-CD1 4.32Å; F72-L98 HydrophobicContact CB-CD2 3.77Å; F72-L98 HydrophobicContact CB-CG 4.16Å; F72-L98 HydrophobicContact CD1-CD1 4.22Å; F72-L98 HydrophobicContact CD1-CD2 4.47Å; F72-L98 HydrophobicContact CD2-CD1 4.36Å; F72-L98 HydrophobicContact CG-CD1 4.06Å; F72-L98 HydrophobicContact CG-CD2 4.3Å; F72-L98 HydrophobicContact CG-CG 4.44Å; L79-L98 HydrophobicContact CB-CD2 4.23Å; L79-L98 HydrophobicContact CD2-CD1 4.06Å; L79-L98 HydrophobicContact CD2-CD2 3.84Å; L82-L98 HydrophobicContact CD2-CD1 4.14Å; L95-L98 HydrophobicContact CB-CD1 4.34Å; L95-L98 HydrophobicContact CD2-CD1 3.62Å; L95-L98 WeakPolarHBondContact O-CB 3.4Å; L95-L98 PolarHBondContact O-N 3.14Å; L98-K100 PolarHBondContact O-N 3.26Å; L98-L101 HydrophobicContact CB-CB 4.26Å; L98-L101 HydrophobicContact CD1-CD2 4.43Å; L98-L101 VanDerWaalsContact O-CB 3.24Å; L98-L101 WeakPolarHBondContact O-CB 3.37Å; L98-L101 PolarHBondContact O-N 3.45Å; L98-L120 HydrophobicContact CB-CD2 4.09Å; L98-L120 VanDerWaalsContact O-CD2 3.28Å; L98-L120 WeakPolarHBondContact O-CD2 3.27Å
99	I	97.5	Very high	98.6	Very high	80 Å²	80	34.1 Å²	34.1	41%	0.41	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-15.3	-172	61.5	169.9	0	0	0	113.9	C97 N122	C97-I99 PolarHBondContact O-N 3.06Å; I99-N122 PolarHBondContact O-ND2 3.47Å
100	K	98.5	Very high	98.6	Very high	93 Å²	93	39.6 Å²	39.6	40%	0.404	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-4.9	176.2	-71.3	-166.5	178.9	179.1	0	113.9	Q77 L79 E80 L98 T102	Q77-K100 VanDerWaalsContact O-CD 3.26Å; Q77-K100 WeakPolarHBondContact O-CD 3.27Å; Q77-K100 WeakPolarHBondContact O-CE 3.39Å; Q77-K100 PolarHBondContact O-NZ 2.64Å; L79-K100 CarbonylContact O-C 3.36Å; L79-K100 WeakPolarHBondContact O-CB 3.34Å; E80-K100 HydrophobicContact CG-CB 4.38Å; L98-K100 PolarHBondContact O-N 3.26Å; K100-T102 PolarHBondContact O-N 3.38Å
101	L	98.8	Very high	98.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.169	C	C	.	.			trans	-63.2	127.4	-174.7	-156.9	71.5	0	0	0	111.3	L79 L82 L98 L104 L120 N122 L123	L79-L101 HydrophobicContact CD2-CD1 4.29Å; L79-L101 HydrophobicContact CG-CD1 4.14Å; L82-L101 HydrophobicContact CB-CD1 3.75Å; L82-L101 HydrophobicContact CB-CD2 4.41Å; L98-L101 HydrophobicContact CB-CB 4.26Å; L98-L101 HydrophobicContact CD1-CD2 4.43Å; L98-L101 VanDerWaalsContact O-CB 3.24Å; L98-L101 WeakPolarHBondContact O-CB 3.37Å; L98-L101 PolarHBondContact O-N 3.45Å; L101-L104 HydrophobicContact CD2-CB 3.9Å; L101-L104 HydrophobicContact CD2-CD1 4.15Å; L101-L104 HydrophobicContact CD2-CD2 4.12Å; L101-L104 HydrophobicContact CD2-CG 4.28Å; L101-L120 HydrophobicContact CB-CD2 4.48Å; L101-L120 HydrophobicContact CD2-CD1 4.31Å; L101-N122 CarbonylContact O-C 3.23Å; L101-N122 VanDerWaalsContact O-C 3.24Å; L101-L123 HydrophobicContact CB-CD2 4.41Å; L101-L123 HydrophobicContact CD2-CD2 4.14Å; L101-L123 HydrophobicContact CG-CD2 4.11Å; L101-L123 PolarHBondContact O-N 3.12Å
102	T	98.9	Very high	98.6	Very high	33 Å²	33	38.7 Å²	38.7	20%	0.202	18%	0.182	C	C	.	.			trans	-114.6	-30.9	178.8	65.3	0	0	0	0	112.3	E80 K100 R124 K125	E80-T102 PolarHBondContact O-N 2.95Å; E80-T102 PolarHBondContact O-OG1 3.37Å; K100-T102 PolarHBondContact O-N 3.38Å; T102-R124 PolarHBondContact O-N 2.87Å; T102-K125 PolarHBondContact O-N 3.11Å
103	N	99	Very high	98.6	Very high	30 Å²	30	46.2 Å²	46.2	16%	0.16	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	136	174.7	-52.8	-48	0	0	0	109.7	E80 D81 L82 K125	E80-N103 PolarHBondContact O-N 3.34Å; E80-N103 VanDerWaalsContact O-N 3.11Å; D81-N103 HydrophobicContact CB-CB 4.3Å; D81-N103 WeakPolarHBondContact OD2-CB 3.22Å; D81-N103 PolarHBondContact OD2-ND2 2.76Å; L82-N103 PolarHBondContact N-O 3.37Å; L82-N103 VanDerWaalsContact N-O 3.08Å; N103-K125 WeakPolarHBondContact CA-O 3.33Å; N103-K125 WeakPolarHBondContact OD1-CB 3.42Å; N103-K125 WeakPolarHBondContact OD1-CD 3.44Å; N103-K125 WeakPolarHBondContact OD1-CG 3.44Å
104	L	98.9	Very high	98.6	Very high	0 Å²	0	44 Å²	44	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	113.7	177	176.1	56.4	0	0	0	110.2	L82 L95 L101 L106 L117 L120 L123 K125 L126 Y127	L82-L104 HydrophobicContact CB-CD1 4.12Å; L82-L104 HydrophobicContact CD2-CD1 3.98Å; L82-L104 HydrophobicContact CG-CD1 4.13Å; L82-L104 WeakPolarHBondContact O-CA 3.36Å; L95-L104 HydrophobicContact CD1-CD2 3.83Å; L101-L104 HydrophobicContact CD2-CB 3.9Å; L101-L104 HydrophobicContact CD2-CD1 4.15Å; L101-L104 HydrophobicContact CD2-CD2 4.12Å; L101-L104 HydrophobicContact CD2-CG 4.28Å; L104-L106 HydrophobicContact CD1-CD1 4.12Å; L104-L106 HydrophobicContact CD1-CG 3.93Å; L104-L106 HydrophobicContact CD2-CD1 3.76Å; L104-L106 HydrophobicContact CD2-CG 4.45Å; L104-L106 HydrophobicContact CG-CD1 3.85Å; L104-L106 HydrophobicContact CG-CG 4.02Å; L104-L117 HydrophobicContact CD2-CD2 4.01Å; L104-L120 HydrophobicContact CD2-CD1 4.24Å; L104-L123 HydrophobicContact CB-CD2 3.75Å; L104-L123 HydrophobicContact CD2-CD1 4.46Å; L104-K125 PolarHBondContact N-O 3.49Å; L104-L126 HydrophobicContact CB-CD1 3.88Å; L104-L126 HydrophobicContact CD2-CD1 3.87Å; L104-L126 HydrophobicContact CG-CD1 3.92Å; L104-Y127 PolarHBondContact O-N 2.67Å
105	D	98.9	Very high	98.7	Very high	16 Å²	16	43.8 Å²	43.8	9%	0.086	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	110.4	173	-163.1	-17.1	0	0	0	111.4	L82 D83 V84 S107 Y127	L82-D105 PolarHBondContact O-N 2.82Å; D83-D105 HydrophobicContact CB-CB 4.44Å; V84-D105 WeakPolarHBondContact CG2-O 3.5Å; V84-D105 PolarHBondContact N-O 3.46Å; D105-S107 WeakPolarHBondContact OD1-CA 3.35Å; D105-S107 WeakPolarHBondContact OD1-CB 3.32Å; D105-S107 PolarHBondContact OD1-N 2.93Å; D105-S107 PolarHBondContact OD1-OG 3.03Å; D105-Y127 HydrophobicContact CB-CD2 4.02Å; D105-Y127 HydrophobicContact CB-CG 4.42Å; D105-Y127 WeakPolarHBondContact OD1-CB 3.34Å
106	L	98.9	Very high	98.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	21%	0.211	C	C	.	.			trans	-112.8	17.5	176.3	-75	163.8	0	0	0	111.7	L69 V84 I89 I92 L104 N109 I111 Y127 F128 N131	L69-L106 HydrophobicContact CD1-CD2 3.99Å; V84-L106 HydrophobicContact CG2-CD2 3.41Å; V84-L106 VanDerWaalsContact CG2-CD2 3.41Å; V84-L106 HydrophobicContact CG2-CG 4.19Å; I89-L106 HydrophobicContact CD1-CD2 4.38Å; I92-L106 HydrophobicContact CD1-CD1 4.02Å; I92-L106 HydrophobicContact CG1-CD1 4.04Å; I92-L106 HydrophobicContact CG2-CD1 4.44Å; L104-L106 HydrophobicContact CD1-CD1 4.12Å; L104-L106 HydrophobicContact CD1-CG 3.93Å; L104-L106 HydrophobicContact CD2-CD1 3.76Å; L104-L106 HydrophobicContact CD2-CG 4.45Å; L104-L106 HydrophobicContact CG-CD1 3.85Å; L104-L106 HydrophobicContact CG-CG 4.02Å; L106-N109 PolarHBondContact O-ND2 2.77Å; L106-I111 HydrophobicContact CB-CD1 3.79Å; L106-I111 HydrophobicContact CD1-CD1 4.29Å; L106-I111 HydrophobicContact CD2-CD1 3.96Å; L106-I111 HydrophobicContact CG-CD1 4.24Å; L106-Y127 PolarHBondContact N-O 3.31Å; L106-F128 HydrophobicContact CB-CD1 3.91Å; L106-F128 HydrophobicContact CB-CE1 3.92Å; L106-F128 HydrophobicContact CD1-CD1 4.44Å; L106-F128 HydrophobicContact CD1-CE1 3.61Å; L106-F128 HydrophobicContact CD1-CZ 4.29Å; L106-F128 HydrophobicContact CG-CE1 4.42Å; L106-N131 PolarHBondContact O-ND2 2.98Å
107	S	98.9	Very high	98.7	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.007	19%	0.19	C	C	.	.			trans	-67.1	158	-177.5	-54.7	0	0	0	0	112.3	Y85 D86 D105 N109 Y127 V129	Y85-S107 WeakPolarHBondContact CA-O 3.38Å; D86-S107 PolarHBondContact N-O 3.24Å; D105-S107 WeakPolarHBondContact OD1-CA 3.35Å; D105-S107 WeakPolarHBondContact OD1-CB 3.32Å; D105-S107 PolarHBondContact OD1-N 2.93Å; D105-S107 PolarHBondContact OD1-OG 3.03Å; S107-N109 VanDerWaalsContact C-N 3.27Å; S107-N109 PolarHBondContact O-N 2.91Å; S107-N109 PolarHBondContact O-ND2 2.81Å; S107-Y127 WeakPolarHBondContact OG-CB 3.46Å; S107-V129 CarbonylContact C-O 3.42Å; S107-V129 WeakPolarHBondContact CA-O 3.41Å; S107-V129 WeakPolarHBondContact CB-O 3.18Å; S107-V129 PolarHBondContact OG-N 3.03Å
108	F	98.8	Very high	98.6	Very high	67 Å²	67	44 Å²	44	29%	0.294	20%	0.197	S	C	.	.	S	Bend	trans	55.7	41.7	179.2	-68	-106.8	0	0	0	112.7	Y85 D86 N87 V129 N130	Y85-F108 HydrophobicContact CD1-CB 4.5Å; Y85-F108 AromaticContact CD2-CD2 3.93Å; Y85-F108 HydrophobicContact CD2-CD2 3.93Å; Y85-F108 HydrophobicContact CE1-CB 4.24Å; Y85-F108 AromaticContact CE1-CD2 3.99Å; Y85-F108 HydrophobicContact CE1-CD2 3.99Å; Y85-F108 HydrophobicContact CE1-CG 4.06Å; Y85-F108 AromaticContact CE2-CD2 3.14Å; Y85-F108 HydrophobicContact CE2-CD2 3.14Å; Y85-F108 AromaticContact CE2-CE2 3.47Å; Y85-F108 HydrophobicContact CE2-CE2 3.47Å; Y85-F108 VanDerWaalsContact CE2-CE2 3.47Å; Y85-F108 HydrophobicContact CE2-CG 4.03Å; Y85-F108 AromaticContact CZ-CD2 3.15Å; Y85-F108 AromaticContact CZ-CE2 3.46Å; Y85-F108 VanDerWaalsContact CZ-CE2 3.46Å; Y85-F108 AromaticContact CZ-CG 3.65Å; Y85-F108 WeakPolarHBondContact OH-CD2 3.23Å; Y85-F108 WeakPolarHBondContact OH-CE2 3.31Å; Y85-F108 VanDerWaalsContact OH-CZ 3.29Å; Y85-F108 WeakPolarHBondContact OH-CZ 3.42Å; D86-F108 VanDerWaalsContact CA-O 3.29Å; D86-F108 WeakPolarHBondContact CA-O 3.22Å; D86-F108 HydrophobicContact CB-CB 3.93Å; N87-F108 PolarHBondContact N-O 3.48Å; F108-V129 HydrophobicContact CE2-CB 4.13Å; F108-V129 HydrophobicContact CE2-CG1 3.77Å; F108-V129 HydrophobicContact CZ-CG1 4.35Å; F108-V129 PolarHBondContact N-O 3.49Å; F108-N130 WeakPolarHBondContact CA-O 3.14Å; F108-N130 HydrophobicContact CD1-CB 3.99Å; F108-N130 WeakPolarHBondContact CD1-ND2 3.38Å; F108-N130 HydrophobicContact CD2-CB 4.01Å; F108-N130 HydrophobicContact CE1-CB 3.97Å; F108-N130 WeakPolarHBondContact CE1-ND2 3.26Å; F108-N130 HydrophobicContact CE2-CB 3.98Å; F108-N130 HydrophobicContact CG-CB 4.01Å; F108-N130 HydrophobicContact CZ-CB 3.95Å
109	N	98.9	Very high	98.6	Very high	7 Å²	7	48.3 Å²	48.3	4%	0.037	22%	0.22	C	C	.	.	S	Bend	trans	-115.3	-162.9	174.5	-83.4	-77.4	0	0	0	110.2	V84 N87 Q88 I89 L106 S107 I111 N131	V84-N109 PolarHBondContact O-ND2 3.28Å; N87-N109 WeakPolarHBondContact CA-OD1 3.3Å; N87-N109 WeakPolarHBondContact CB-OD1 3.16Å; N87-N109 PolarHBondContact N-OD1 2.93Å; N87-N109 PolarHBondContact O-OD1 3.36Å; Q88-N109 PolarHBondContact N-OD1 3.02Å; I89-N109 HydrophobicContact CB-CB 4.25Å; I89-N109 VanDerWaalsContact CB-OD1 3.23Å; I89-N109 WeakPolarHBondContact CB-OD1 3Å; I89-N109 WeakPolarHBondContact CG1-OD1 3.23Å; I89-N109 PolarHBondContact N-OD1 2.77Å; L106-N109 PolarHBondContact O-ND2 2.77Å; S107-N109 VanDerWaalsContact C-N 3.27Å; S107-N109 PolarHBondContact O-N 2.91Å; S107-N109 PolarHBondContact O-ND2 2.81Å; N109-I111 HydrophobicContact CB-CD1 4.15Å; N109-I111 HydrophobicContact CB-CG1 4.21Å; N109-N131 WeakPolarHBondContact CA-OD1 3.18Å; N109-N131 VanDerWaalsContact CB-OD1 3.28Å; N109-N131 WeakPolarHBondContact CB-OD1 3.46Å; N109-N131 PolarHBondContact O-OD1 3.35Å
110	R	98.7	Very high	98.7	Very high	115 Å²	115	44.6 Å²	44.6	43%	0.434	20%	0.201	S	C	.	.			trans	-119.3	24.8	-178	-59.5	175.6	-174.5	156.9	3.7	111.8	Q88 I89 T90 N131	Q88-R110 VanDerWaalsContact OE1-NH2 3.11Å; I89-R110 CarbonylContact O-C 3.58Å; I89-R110 WeakPolarHBondContact O-CA 3.41Å; I89-R110 PolarHBondContact O-N 3.25Å; T90-R110 HydrophobicContact CG2-CB 3.93Å; R110-N131 PolarHBondContact N-OD1 3.49Å
111	I	98.9	Very high	98.6	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	20%	0.2	C	C	.	.			trans	-69.1	135.2	-174.5	-62.7	163.6	0	0	0	109.8	I89 I92 L106 N109 R113 N131 H132 I133	I89-I111 HydrophobicContact CG2-CD1 4.43Å; I89-I111 HydrophobicContact CG2-CG1 4.29Å; I89-I111 PolarHBondContact O-N 2.98Å; I92-I111 HydrophobicContact CD1-CG2 4.24Å; I92-I111 HydrophobicContact CG1-CD1 4Å; I92-I111 HydrophobicContact CG1-CG1 4.47Å; I92-I111 HydrophobicContact CG1-CG2 4Å; L106-I111 HydrophobicContact CB-CD1 3.79Å; L106-I111 HydrophobicContact CD1-CD1 4.29Å; L106-I111 HydrophobicContact CD2-CD1 3.96Å; L106-I111 HydrophobicContact CG-CD1 4.24Å; N109-I111 HydrophobicContact CB-CD1 4.15Å; N109-I111 HydrophobicContact CB-CG1 4.21Å; I111-R113 WeakPolarHBondContact CG2-O 3.29Å; I111-N131 HydrophobicContact CB-CB 4.41Å; I111-N131 VanDerWaalsContact CB-OD1 3.29Å; I111-N131 WeakPolarHBondContact CB-OD1 3.32Å; I111-N131 PolarHBondContact N-OD1 2.65Å; I111-H132 CarbonylContact O-C 3.25Å; I111-H132 VanDerWaalsContact O-C 3.32Å; I111-H132 VanDerWaalsContact O-CA 3.27Å; I111-H132 WeakPolarHBondContact O-CA 3.33Å; I111-H132 WeakPolarHBondContact O-CB 3.34Å; I111-H132 PolarHBondContact O-N 2.84Å; I111-I133 HydrophobicContact CG2-CD1 4.47Å; I111-I133 HydrophobicContact CG2-CG1 4.29Å; I111-I133 PolarHBondContact O-N 2.96Å
112	K	98.8	Very high	98.6	Very high	139 Å²	139	46.1 Å²	46.1	60%	0.604	22%	0.218	S	C	*	.			trans	-107.7	-22.6	-178.5	-67.1	177.6	-176.8	172.1	0	114	H132	K112-H132 HydrophobicContact CG-CB 3.99Å
113	R	98.8	Very high	98.6	Very high	158 Å²	158	44.5 Å²	44.5	60%	0.596	21%	0.208	S	C	*	.	S	Bend	trans	-140.7	143.3	-176.2	-68.3	-175.7	178.6	148.7	-2	109.6	I111	I111-R113 WeakPolarHBondContact CG2-O 3.29Å
114	I	98.9	Very high	98.6	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	22%	0.217	C	C	.	.			trans	-83.9	119.9	167.4	-57.5	175.3	0	0	0	105.7	L117 F128 I133 E137 N138 L139 L150	I114-L117 HydrophobicContact CG2-CD1 3.67Å; I114-F128 HydrophobicContact CD1-CD2 4.21Å; I114-F128 HydrophobicContact CD1-CE2 3.96Å; I114-F128 HydrophobicContact CG1-CD2 4.43Å; I114-F128 HydrophobicContact CG1-CE2 3.97Å; I114-F128 HydrophobicContact CG1-CZ 4.19Å; I114-F128 HydrophobicContact CG2-CE2 4.23Å; I114-F128 HydrophobicContact CG2-CZ 4.21Å; I114-I133 HydrophobicContact CD1-CD1 4.43Å; I114-I133 HydrophobicContact CD1-CG2 4.22Å; I114-I133 HydrophobicContact CG1-CD1 3.92Å; I114-I133 HydrophobicContact CG1-CG1 4.41Å; I114-I133 HydrophobicContact CG1-CG2 4.1Å; I114-E137 WeakPolarHBondContact CB-O 3.26Å; I114-E137 WeakPolarHBondContact CG2-O 3.47Å; I114-N138 PolarHBondContact O-ND2 3.22Å; I114-L139 HydrophobicContact CG2-CD2 3.74Å; I114-L139 HydrophobicContact CG2-CG 4.36Å; I114-L150 HydrophobicContact CD1-CD2 4Å
115	E	98.6	Very high	98.6	Very high	52 Å²	52	51.3 Å²	51.3	24%	0.243	23%	0.234	C	C	.	.			trans	-160.3	163.2	-175.3	55.7	-179.8	141.4	0	0	109.6	K91 I92 L117	K91-E115 WeakPolarHBondContact CG-OE1 3.39Å; I92-E115 HydrophobicContact CB-CG 4.46Å; I92-E115 VanDerWaalsContact CB-O 3.31Å; I92-E115 WeakPolarHBondContact CB-O 3.44Å; I92-E115 VanDerWaalsContact CG2-O 3.23Å; I92-E115 WeakPolarHBondContact CG2-O 3.44Å; E115-L117 VanDerWaalsContact C-N 3.29Å; E115-L117 PolarHBondContact O-N 3Å
116	N	98.4	Very high	98.6	Very high	52 Å²	52	50.5 Å²	50.5	28%	0.278	23%	0.23	S	C	.	.	S	Bend	trans	61.5	34.7	172.9	-51.3	-51.8	0	0	0	113.6	I92 E118	I92-N116 PolarHBondContact O-ND2 3.02Å; N116-E118 WeakPolarHBondContact CA-OE2 3.19Å; N116-E118 PolarHBondContact N-OE1 2.91Å
117	L	98.6	Very high	98.6	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.005	24%	0.24	C	C	.	.			trans	-111.5	4.3	175.4	-57.7	177.6	0	0	0	112.2	I92 L95 L104 I114 E115 N119 L120 L126 F128 L139 L142	I92-L117 HydrophobicContact CG2-CD2 3.8Å; I92-L117 HydrophobicContact CG2-CG 4.46Å; L95-L117 HydrophobicContact CD1-CD2 4.39Å; L104-L117 HydrophobicContact CD2-CD2 4.01Å; I114-L117 HydrophobicContact CG2-CD1 3.67Å; E115-L117 VanDerWaalsContact C-N 3.29Å; E115-L117 PolarHBondContact O-N 3Å; L117-N119 PolarHBondContact O-N 2.82Å; L117-N119 VanDerWaalsContact O-N 3.14Å; L117-L120 HydrophobicContact CD2-CD1 3.62Å; L117-L120 WeakPolarHBondContact O-CB 3.25Å; L117-L120 PolarHBondContact O-N 3.14Å; L117-L126 HydrophobicContact CD1-CD2 3.93Å; L117-F128 HydrophobicContact CD1-CZ 4.15Å; L117-L139 HydrophobicContact CD1-CD2 4.23Å; L117-L142 HydrophobicContact CB-CD2 4.49Å; L117-L142 HydrophobicContact CD1-CD1 4.34Å
118	E	97.2	Very high	98.6	Very high	79 Å²	79	53.2 Å²	53.2	37%	0.369	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-28.1	-165.9	-57.4	76.6	-163.6	0	0	112.9	N116 N141	N116-E118 WeakPolarHBondContact CA-OE2 3.19Å; N116-E118 PolarHBondContact N-OE1 2.91Å; E118-N141 PolarHBondContact O-ND2 3.26Å
119	N	98	Very high	98.6	Very high	91 Å²	91	51.6 Å²	51.6	49%	0.487	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-9.1	178.9	-68.5	-7.9	0	0	0	113.6	E96 L117 S121	E96-N119 PolarHBondContact O-ND2 3.03Å; L117-N119 PolarHBondContact O-N 2.82Å; L117-N119 VanDerWaalsContact O-N 3.14Å; N119-S121 PolarHBondContact O-N 3.27Å
120	L	98.4	Very high	98.6	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.005	25%	0.251	C	S	.	.			trans	-87.3	45.9	-175.5	-57.1	-176	0	0	0	111.5	L95 L98 L101 L104 L117 N122 L123 L142	L95-L120 HydrophobicContact CB-CD1 4.05Å; L95-L120 HydrophobicContact CD1-CD1 4.22Å; L95-L120 WeakPolarHBondContact O-CD2 3.21Å; L98-L120 HydrophobicContact CB-CD2 4.09Å; L98-L120 VanDerWaalsContact O-CD2 3.28Å; L98-L120 WeakPolarHBondContact O-CD2 3.27Å; L101-L120 HydrophobicContact CB-CD2 4.48Å; L101-L120 HydrophobicContact CD2-CD1 4.31Å; L104-L120 HydrophobicContact CD2-CD1 4.24Å; L117-L120 HydrophobicContact CD2-CD1 3.62Å; L117-L120 WeakPolarHBondContact O-CB 3.25Å; L117-L120 PolarHBondContact O-N 3.14Å; L120-N122 PolarHBondContact O-N 2.96Å; L120-L123 HydrophobicContact CB-CD1 3.59Å; L120-L123 HydrophobicContact CB-CG 3.88Å; L120-L123 HydrophobicContact CD1-CD1 3.9Å; L120-L123 HydrophobicContact CG-CD1 4.42Å; L120-L123 WeakPolarHBondContact O-CB 3.4Å; L120-L123 WeakPolarHBondContact O-CG 3.37Å; L120-L123 PolarHBondContact O-N 3.07Å; L120-L142 HydrophobicContact CB-CD2 4.43Å; L120-L142 VanDerWaalsContact O-CD2 3.29Å; L120-L142 WeakPolarHBondContact O-CD2 3.11Å
121	S	97.3	Very high	98.6	Very high	56 Å²	56	49.1 Å²	49.1	39%	0.392	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-16	-171.2	60.3	0	0	0	0	114.4	N119	N119-S121 PolarHBondContact O-N 3.27Å
122	N	98.5	Very high	98.6	Very high	69 Å²	69	52.5 Å²	52.5	37%	0.369	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	0	179.1	-67	-58.2	0	0	0	114	I99 L101 L120 R124	I99-N122 PolarHBondContact O-ND2 3.47Å; L101-N122 CarbonylContact O-C 3.23Å; L101-N122 VanDerWaalsContact O-C 3.24Å; L120-N122 PolarHBondContact O-N 2.96Å; N122-R124 PolarHBondContact O-N 3.04Å
123	L	98.8	Very high	98.6	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.218	C	C	.	.			trans	-60.3	128.1	177.1	-80.4	173.5	0	0	0	111.3	L101 L104 L120 L126 L142 D144 L145	L101-L123 HydrophobicContact CB-CD2 4.41Å; L101-L123 HydrophobicContact CD2-CD2 4.14Å; L101-L123 HydrophobicContact CG-CD2 4.11Å; L101-L123 PolarHBondContact O-N 3.12Å; L104-L123 HydrophobicContact CB-CD2 3.75Å; L104-L123 HydrophobicContact CD2-CD1 4.46Å; L120-L123 HydrophobicContact CB-CD1 3.59Å; L120-L123 HydrophobicContact CB-CG 3.88Å; L120-L123 HydrophobicContact CD1-CD1 3.9Å; L120-L123 HydrophobicContact CG-CD1 4.42Å; L120-L123 WeakPolarHBondContact O-CB 3.4Å; L120-L123 WeakPolarHBondContact O-CG 3.37Å; L120-L123 PolarHBondContact O-N 3.07Å; L123-L126 HydrophobicContact CD1-CD1 4.45Å; L123-L142 HydrophobicContact CB-CD2 4.46Å; L123-L142 HydrophobicContact CD1-CD1 4.15Å; L123-L142 HydrophobicContact CD1-CD2 4.16Å; L123-D144 CarbonylContact O-C 3.46Å; L123-L145 HydrophobicContact CB-CD1 4.15Å; L123-L145 WeakPolarHBondContact O-CA 3.28Å; L123-L145 PolarHBondContact O-N 3.16Å
124	R	98.9	Very high	98.6	Very high	93 Å²	93	41.8 Å²	41.8	35%	0.351	21%	0.213	S	C	.	.			trans	-108.3	-37	174.1	-62.8	-173.8	-176.4	-80.2	-13.3	112	T102 N122 E146 M147	T102-R124 PolarHBondContact O-N 2.87Å; N122-R124 PolarHBondContact O-N 3.04Å; R124-E146 IonicContact CZ-OE1 3.1Å; R124-E146 IonicContact NH1-OE1 2.75Å; R124-E146 PolarHBondContact NH1-OE1 3.07Å; R124-E146 WeakPolarHBondContact O-CA 3.46Å; R124-E146 PolarHBondContact O-N 3.06Å; R124-M147 PolarHBondContact O-N 3.11Å
125	K	99	Very high	98.6	Very high	79 Å²	79	45.4 Å²	45.4	34%	0.343	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	127.5	180	-51.8	-176.3	-172.3	167.3	0	110.8	T102 N103 L104 Y127 M147	T102-K125 PolarHBondContact O-N 3.11Å; N103-K125 WeakPolarHBondContact CA-O 3.33Å; N103-K125 WeakPolarHBondContact OD1-CB 3.42Å; N103-K125 WeakPolarHBondContact OD1-CD 3.44Å; N103-K125 WeakPolarHBondContact OD1-CG 3.44Å; L104-K125 PolarHBondContact N-O 3.49Å; K125-Y127 HydrophobicContact CB-CE2 3.7Å; K125-Y127 WeakPolarHBondContact CD-OH 3.37Å; K125-M147 WeakPolarHBondContact CA-O 3.49Å; K125-M147 HydrophobicContact CB-CB 4.4Å; K125-M147 HydrophobicContact CD-SD 4.37Å; K125-M147 HydrophobicContact CG-CB 4.16Å
126	L	98.9	Very high	98.6	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	121.9	-177.1	-176.1	58.5	0	0	0	110.6	L104 L117 L123 F128 L139 L142 L145 M147 L148 E149	L104-L126 HydrophobicContact CB-CD1 3.88Å; L104-L126 HydrophobicContact CD2-CD1 3.87Å; L104-L126 HydrophobicContact CG-CD1 3.92Å; L117-L126 HydrophobicContact CD1-CD2 3.93Å; L123-L126 HydrophobicContact CD1-CD1 4.45Å; L126-F128 HydrophobicContact CD1-CE2 3.94Å; L126-F128 HydrophobicContact CD1-CZ 3.89Å; L126-F128 HydrophobicContact CD2-CD2 4.39Å; L126-F128 HydrophobicContact CD2-CE2 3.51Å; L126-F128 HydrophobicContact CD2-CZ 4.05Å; L126-F128 HydrophobicContact CG-CD2 4.07Å; L126-F128 HydrophobicContact CG-CE2 3.54Å; L126-F128 HydrophobicContact CG-CZ 4.03Å; L126-L139 HydrophobicContact CD2-CD2 3.91Å; L126-L142 HydrophobicContact CD2-CD1 3.81Å; L126-L145 HydrophobicContact CB-CD1 3.77Å; L126-M147 PolarHBondContact N-O 2.7Å; L126-L148 HydrophobicContact CB-CD1 4.19Å; L126-L148 HydrophobicContact CD2-CD1 4.21Å; L126-L148 HydrophobicContact CG-CD1 4.25Å; L126-E149 PolarHBondContact O-N 2.74Å
127	Y	98.9	Very high	98.6	Very high	58 Å²	58	42.4 Å²	42.4	23%	0.227	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	129.2	-174.7	-49.7	-96.3	0	0	0	111.5	L104 D105 L106 S107 K125 M147 E149	L104-Y127 PolarHBondContact O-N 2.67Å; D105-Y127 HydrophobicContact CB-CD2 4.02Å; D105-Y127 HydrophobicContact CB-CG 4.42Å; D105-Y127 WeakPolarHBondContact OD1-CB 3.34Å; L106-Y127 PolarHBondContact N-O 3.31Å; S107-Y127 WeakPolarHBondContact OG-CB 3.46Å; K125-Y127 HydrophobicContact CB-CE2 3.7Å; K125-Y127 WeakPolarHBondContact CD-OH 3.37Å; Y127-M147 HydrophobicContact CE1-SD 3.52Å; Y127-M147 VanDerWaalsContact CE1-SD 3.52Å; Y127-M147 PolarHBondContact OH-SD 3.19Å; Y127-E149 HydrophobicContact CD1-CB 3.85Å; Y127-E149 HydrophobicContact CD1-CG 4.26Å
128	F	98.9	Very high	98.6	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.232	C	C	.	.			trans	-131.7	22.2	-179.7	-73.8	-58.1	0	0	0	112.6	I92 L106 I114 L117 L126 N130 N131 I133 L148 E149 L150 N153	I92-F128 HydrophobicContact CD1-CE1 3.54Å; I92-F128 HydrophobicContact CD1-CZ 3.69Å; L106-F128 HydrophobicContact CB-CD1 3.91Å; L106-F128 HydrophobicContact CB-CE1 3.92Å; L106-F128 HydrophobicContact CD1-CD1 4.44Å; L106-F128 HydrophobicContact CD1-CE1 3.61Å; L106-F128 HydrophobicContact CD1-CZ 4.29Å; L106-F128 HydrophobicContact CG-CE1 4.42Å; I114-F128 HydrophobicContact CD1-CD2 4.21Å; I114-F128 HydrophobicContact CD1-CE2 3.96Å; I114-F128 HydrophobicContact CG1-CD2 4.43Å; I114-F128 HydrophobicContact CG1-CE2 3.97Å; I114-F128 HydrophobicContact CG1-CZ 4.19Å; I114-F128 HydrophobicContact CG2-CE2 4.23Å; I114-F128 HydrophobicContact CG2-CZ 4.21Å; L117-F128 HydrophobicContact CD1-CZ 4.15Å; L126-F128 HydrophobicContact CD1-CE2 3.94Å; L126-F128 HydrophobicContact CD1-CZ 3.89Å; L126-F128 HydrophobicContact CD2-CD2 4.39Å; L126-F128 HydrophobicContact CD2-CE2 3.51Å; L126-F128 HydrophobicContact CD2-CZ 4.05Å; L126-F128 HydrophobicContact CG-CD2 4.07Å; L126-F128 HydrophobicContact CG-CE2 3.54Å; L126-F128 HydrophobicContact CG-CZ 4.03Å; F128-N130 PolarHBondContact O-N 3.43Å; F128-N131 PolarHBondContact O-ND2 3.46Å; F128-I133 HydrophobicContact CB-CD1 3.74Å; F128-I133 HydrophobicContact CD1-CD1 3.79Å; F128-I133 HydrophobicContact CD2-CD1 4.29Å; F128-I133 HydrophobicContact CE1-CD1 4.45Å; F128-I133 HydrophobicContact CG-CD1 3.71Å; F128-L148 HydrophobicContact CD2-CD1 4.42Å; F128-E149 WeakPolarHBondContact CA-O 3.3Å; F128-E149 WeakPolarHBondContact CB-O 3.21Å; F128-E149 PolarHBondContact N-O 2.78Å; F128-L150 HydrophobicContact CB-CD2 4.02Å; F128-L150 HydrophobicContact CD2-CD2 3.79Å; F128-L150 HydrophobicContact CG-CD2 4.32Å; F128-N153 PolarHBondContact O-ND2 3.22Å
129	V	98.9	Very high	98.7	Very high	32 Å²	32	42.1 Å²	42.1	19%	0.194	21%	0.214	C	C	.	.			trans	-54.9	139.3	-175.3	-174.7	0	0	0	0	110.2	S107 F108 N131 E149 G151	S107-V129 CarbonylContact C-O 3.42Å; S107-V129 WeakPolarHBondContact CA-O 3.41Å; S107-V129 WeakPolarHBondContact CB-O 3.18Å; S107-V129 PolarHBondContact OG-N 3.03Å; F108-V129 HydrophobicContact CE2-CB 4.13Å; F108-V129 HydrophobicContact CE2-CG1 3.77Å; F108-V129 HydrophobicContact CZ-CG1 4.35Å; F108-V129 PolarHBondContact N-O 3.49Å; V129-N131 PolarHBondContact O-ND2 3.25Å; V129-E149 HydrophobicContact CG2-CB 4.49Å; V129-E149 HydrophobicContact CG2-CG 3.15Å; V129-G151 CarbonylContact C-O 3.17Å; V129-G151 VanDerWaalsContact CA-O 3.26Å; V129-G151 WeakPolarHBondContact CA-O 3.06Å
130	N	98.9	Very high	98.6	Very high	67 Å²	67	40.7 Å²	40.7	36%	0.358	21%	0.212	S	C	.	.	S	Bend	trans	56	56.9	171.9	-164.5	25.3	0	0	0	113.8	F108 F128 G151 S152	F108-N130 WeakPolarHBondContact CA-O 3.14Å; F108-N130 HydrophobicContact CD1-CB 3.99Å; F108-N130 WeakPolarHBondContact CD1-ND2 3.38Å; F108-N130 HydrophobicContact CD2-CB 4.01Å; F108-N130 HydrophobicContact CE1-CB 3.97Å; F108-N130 WeakPolarHBondContact CE1-ND2 3.26Å; F108-N130 HydrophobicContact CE2-CB 3.98Å; F108-N130 HydrophobicContact CG-CB 4.01Å; F108-N130 HydrophobicContact CZ-CB 3.95Å; F128-N130 PolarHBondContact O-N 3.43Å; N130-G151 PolarHBondContact N-O 3.33Å; N130-S152 WeakPolarHBondContact CA-O 3.13Å
131	N	98.9	Very high	98.6	Very high	3 Å²	3	44.2 Å²	44.2	2%	0.016	23%	0.23	C	C	.	.	S	Bend	trans	-116.7	-159.5	170.8	-87.3	-77.1	0	0	0	110.2	L106 N109 R110 I111 F128 V129 I133 N153	L106-N131 PolarHBondContact O-ND2 2.98Å; N109-N131 WeakPolarHBondContact CA-OD1 3.18Å; N109-N131 VanDerWaalsContact CB-OD1 3.28Å; N109-N131 WeakPolarHBondContact CB-OD1 3.46Å; N109-N131 PolarHBondContact O-OD1 3.35Å; R110-N131 PolarHBondContact N-OD1 3.49Å; I111-N131 HydrophobicContact CB-CB 4.41Å; I111-N131 VanDerWaalsContact CB-OD1 3.29Å; I111-N131 WeakPolarHBondContact CB-OD1 3.32Å; I111-N131 PolarHBondContact N-OD1 2.65Å; F128-N131 PolarHBondContact O-ND2 3.46Å; V129-N131 PolarHBondContact O-ND2 3.25Å; N131-I133 HydrophobicContact CB-CD1 4.19Å; N131-I133 HydrophobicContact CB-CG1 4.25Å; N131-N153 WeakPolarHBondContact CA-OD1 3.44Å; N131-N153 WeakPolarHBondContact CB-OD1 3.49Å; N131-N153 PolarHBondContact N-OD1 3.44Å; N131-N153 PolarHBondContact O-OD1 3.3Å
132	H	98.7	Very high	98.6	Very high	73 Å²	73	41.6 Å²	41.6	34%	0.338	21%	0.212	S	C	.	.			trans	-119.2	24.4	177.2	-61.9	-26.7	0	0	0	112.7	I111 K112 S134 N153	I111-H132 CarbonylContact O-C 3.25Å; I111-H132 VanDerWaalsContact O-C 3.32Å; I111-H132 VanDerWaalsContact O-CA 3.27Å; I111-H132 WeakPolarHBondContact O-CA 3.33Å; I111-H132 WeakPolarHBondContact O-CB 3.34Å; I111-H132 PolarHBondContact O-N 2.84Å; K112-H132 HydrophobicContact CG-CB 3.99Å; H132-S134 PolarHBondContact O-N 2.99Å; H132-N153 PolarHBondContact N-OD1 3.09Å
133	I	98.9	Very high	98.6	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.219	C	C	.	.			trans	-68.1	127.3	-176.9	-63.6	162.2	0	0	0	109.5	I111 I114 F128 N131 K135 N153 K154 I155	I111-I133 HydrophobicContact CG2-CD1 4.47Å; I111-I133 HydrophobicContact CG2-CG1 4.29Å; I111-I133 PolarHBondContact O-N 2.96Å; I114-I133 HydrophobicContact CD1-CD1 4.43Å; I114-I133 HydrophobicContact CD1-CG2 4.22Å; I114-I133 HydrophobicContact CG1-CD1 3.92Å; I114-I133 HydrophobicContact CG1-CG1 4.41Å; I114-I133 HydrophobicContact CG1-CG2 4.1Å; F128-I133 HydrophobicContact CB-CD1 3.74Å; F128-I133 HydrophobicContact CD1-CD1 3.79Å; F128-I133 HydrophobicContact CD2-CD1 4.29Å; F128-I133 HydrophobicContact CE1-CD1 4.45Å; F128-I133 HydrophobicContact CG-CD1 3.71Å; N131-I133 HydrophobicContact CB-CD1 4.19Å; N131-I133 HydrophobicContact CB-CG1 4.25Å; I133-K135 WeakPolarHBondContact CG2-O 3.25Å; I133-N153 HydrophobicContact CB-CB 4.38Å; I133-N153 WeakPolarHBondContact CB-OD1 3.47Å; I133-N153 PolarHBondContact N-OD1 3.44Å; I133-K154 CarbonylContact O-C 3.24Å; I133-K154 WeakPolarHBondContact O-CA 3.32Å; I133-K154 WeakPolarHBondContact O-CB 3.46Å; I133-K154 PolarHBondContact O-N 2.75Å; I133-I155 HydrophobicContact CG2-CG1 4.35Å; I133-I155 PolarHBondContact O-N 2.92Å
134	S	98.7	Very high	98.6	Very high	72 Å²	72	45.8 Å²	45.8	50%	0.503	23%	0.229	S	C	.	.			trans	-105.2	-15	179	56.1	0	0	0	0	114.4	H132	H132-S134 PolarHBondContact O-N 2.99Å
135	K	98.8	Very high	98.6	Very high	76 Å²	76	41.4 Å²	41.4	33%	0.33	21%	0.212	S	C	.	.	S	Bend	trans	-143.9	138.2	-174.4	-168.7	-178.8	175.4	-161	0	109.8	I133 E137 E159	I133-K135 WeakPolarHBondContact CG2-O 3.25Å; K135-E137 IonicContact NZ-OE2 3.79Å; K135-E159 WeakPolarHBondContact CE-OE2 3.31Å; K135-E159 IonicContact NZ-OE2 3.05Å
136	I	98.8	Very high	98.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.21	C	C	.	.			trans	-82.8	120.2	168.5	-57.4	175.3	0	0	0	106.7	L139 L150 I155 L158 E159 N160 L161	I136-L139 HydrophobicContact CG2-CD1 3.68Å; I136-L150 HydrophobicContact CD1-CD1 3.75Å; I136-L150 HydrophobicContact CG1-CD1 3.9Å; I136-I155 HydrophobicContact CD1-CD1 4.37Å; I136-I155 HydrophobicContact CD1-CG2 4.21Å; I136-I155 HydrophobicContact CG1-CD1 3.91Å; I136-I155 HydrophobicContact CG1-CG1 4.39Å; I136-I155 HydrophobicContact CG1-CG2 4.15Å; I136-L158 HydrophobicContact CD1-CD2 4.23Å; I136-E159 WeakPolarHBondContact CB-O 3.32Å; I136-E159 WeakPolarHBondContact CG2-O 3.07Å; I136-N160 PolarHBondContact O-ND2 3.16Å; I136-L161 HydrophobicContact CD1-CD1 4.33Å; I136-L161 HydrophobicContact CG2-CD2 3.84Å; I136-L161 HydrophobicContact CG2-CG 4.3Å
137	E	98.6	Very high	98.6	Very high	40 Å²	40	42 Å²	42	19%	0.187	22%	0.216	C	C	.	.			trans	-158.6	165.7	-177.7	59.1	-169.8	156.7	0	0	110.1	I114 K135 L139	I114-E137 WeakPolarHBondContact CB-O 3.26Å; I114-E137 WeakPolarHBondContact CG2-O 3.47Å; K135-E137 IonicContact NZ-OE2 3.79Å; E137-L139 VanDerWaalsContact C-N 3.26Å; E137-L139 PolarHBondContact O-N 2.93Å
138	N	98.4	Very high	98.6	Very high	74 Å²	74	39.2 Å²	39.2	40%	0.396	21%	0.206	S	C	.	.	S	Bend	trans	59	30.8	174.7	-54.6	-37.6	0	0	0	115.1	I114	I114-N138 PolarHBondContact O-ND2 3.22Å
139	L	98.6	Very high	98.6	Very high	1 Å²	1	41 Å²	41	1%	0.005	21%	0.214	C	C	.	.			trans	-104.7	-6	175.8	-59.9	179.1	0	0	0	113.6	I114 L117 L126 I136 E137 N141 L142 L148 L161 L164	I114-L139 HydrophobicContact CG2-CD2 3.74Å; I114-L139 HydrophobicContact CG2-CG 4.36Å; L117-L139 HydrophobicContact CD1-CD2 4.23Å; L126-L139 HydrophobicContact CD2-CD2 3.91Å; I136-L139 HydrophobicContact CG2-CD1 3.68Å; E137-L139 VanDerWaalsContact C-N 3.26Å; E137-L139 PolarHBondContact O-N 2.93Å; L139-N141 PolarHBondContact O-N 3.46Å; L139-L142 HydrophobicContact CD2-CD1 3.7Å; L139-L142 WeakPolarHBondContact O-CB 3.15Å; L139-L142 PolarHBondContact O-N 2.7Å; L139-L148 HydrophobicContact CD1-CD1 4.45Å; L139-L148 HydrophobicContact CD1-CD2 3.65Å; L139-L161 HydrophobicContact CD1-CD2 4.33Å; L139-L164 HydrophobicContact CB-CD1 4.4Å; L139-L164 HydrophobicContact CB-CD2 4.39Å; L139-L164 HydrophobicContact CD1-CD1 4.35Å; L139-L164 WeakPolarHBondContact O-CD2 3.16Å
140	S	97	Very high	98.6	Very high	61 Å²	61	39.4 Å²	39.4	43%	0.427	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-23.4	-169.8	56.6	0	0	0	0	115.1
141	N	97.3	Very high	98.6	Very high	75 Å²	75	36.5 Å²	36.5	40%	0.401	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-13.2	177.8	-70.5	-0.2	0	0	0	113.2	E118 L139 K143	E118-N141 PolarHBondContact O-ND2 3.26Å; L139-N141 PolarHBondContact O-N 3.46Å; N141-K143 PolarHBondContact O-N 2.97Å
142	L	98.4	Very high	98.5	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	20%	0.202	C	C	.	.			trans	-84.3	55.9	-175.6	-49.8	-172.2	0	0	0	111	L117 L120 L123 L126 L139 D144 L145 L164	L117-L142 HydrophobicContact CB-CD2 4.49Å; L117-L142 HydrophobicContact CD1-CD1 4.34Å; L120-L142 HydrophobicContact CB-CD2 4.43Å; L120-L142 VanDerWaalsContact O-CD2 3.29Å; L120-L142 WeakPolarHBondContact O-CD2 3.11Å; L123-L142 HydrophobicContact CB-CD2 4.46Å; L123-L142 HydrophobicContact CD1-CD1 4.15Å; L123-L142 HydrophobicContact CD1-CD2 4.16Å; L126-L142 HydrophobicContact CD2-CD1 3.81Å; L139-L142 HydrophobicContact CD2-CD1 3.7Å; L139-L142 WeakPolarHBondContact O-CB 3.15Å; L139-L142 PolarHBondContact O-N 2.7Å; L142-D144 PolarHBondContact O-N 3.1Å; L142-D144 VanDerWaalsContact O-N 3.15Å; L142-L145 HydrophobicContact CB-CB 4.11Å; L142-L145 HydrophobicContact CD1-CD2 4.48Å; L142-L145 WeakPolarHBondContact O-CB 3.46Å; L142-L145 PolarHBondContact O-N 2.96Å; L142-L164 HydrophobicContact CB-CD2 4.29Å; L142-L164 WeakPolarHBondContact O-CD2 3.27Å
143	K	97.8	Very high	98.6	Very high	120 Å²	120	35.2 Å²	35.2	52%	0.522	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-18.6	-173.2	-63.4	-173.9	174.7	-169.1	0	113.8	N141 K166	N141-K143 PolarHBondContact O-N 2.97Å; K143-K166 WeakPolarHBondContact O-CD 3.18Å
144	D	98.5	Very high	98.5	Very high	37 Å²	37	39.5 Å²	39.5	20%	0.198	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	5.6	176.5	-72.2	-25.5	0	0	0	113.8	L123 L142 E146 K166	L123-D144 CarbonylContact O-C 3.46Å; L142-D144 PolarHBondContact O-N 3.1Å; L142-D144 VanDerWaalsContact O-N 3.15Å; D144-E146 PolarHBondContact O-N 2.75Å; D144-K166 IonicContact OD1-NZ 2.68Å; D144-K166 PolarHBondContact OD1-NZ 2.85Å
145	L	98.9	Very high	98.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.183	C	C	.	.			trans	-68.9	122.9	-178.6	-160.1	72.9	0	0	0	111.2	L123 L126 L142 L148 L164 K166 L167	L123-L145 HydrophobicContact CB-CD1 4.15Å; L123-L145 WeakPolarHBondContact O-CA 3.28Å; L123-L145 PolarHBondContact O-N 3.16Å; L126-L145 HydrophobicContact CB-CD1 3.77Å; L142-L145 HydrophobicContact CB-CB 4.11Å; L142-L145 HydrophobicContact CD1-CD2 4.48Å; L142-L145 WeakPolarHBondContact O-CB 3.46Å; L142-L145 PolarHBondContact O-N 2.96Å; L145-L148 HydrophobicContact CD2-CB 3.97Å; L145-L148 HydrophobicContact CD2-CD1 4.25Å; L145-L148 HydrophobicContact CD2-CD2 4.43Å; L145-L148 HydrophobicContact CD2-CG 4.45Å; L145-L164 HydrophobicContact CB-CD2 4.36Å; L145-L164 HydrophobicContact CD2-CD1 4.19Å; L145-L164 HydrophobicContact CD2-CD2 4.48Å; L145-K166 CarbonylContact O-C 3.51Å; L145-K166 VanDerWaalsContact O-C 3.25Å; L145-L167 HydrophobicContact CB-CD1 4.46Å; L145-L167 HydrophobicContact CD2-CD1 4.13Å; L145-L167 HydrophobicContact CG-CD1 4.09Å; L145-L167 VanDerWaalsContact O-CA 3.31Å; L145-L167 WeakPolarHBondContact O-CA 3.34Å; L145-L167 PolarHBondContact O-N 2.94Å; L145-L167 VanDerWaalsContact O-N 3.16Å
146	E	98.9	Very high	98.6	Very high	64 Å²	64	38.9 Å²	38.9	30%	0.299	19%	0.192	S	C	.	.			trans	-105.7	-31	-178.1	-68.3	170.5	-165.8	0	0	112	R124 D144 T168 Q169	R124-E146 IonicContact CZ-OE1 3.1Å; R124-E146 IonicContact NH1-OE1 2.75Å; R124-E146 PolarHBondContact NH1-OE1 3.07Å; R124-E146 WeakPolarHBondContact O-CA 3.46Å; R124-E146 PolarHBondContact O-N 3.06Å; D144-E146 PolarHBondContact O-N 2.75Å; E146-T168 PolarHBondContact O-N 3.25Å; E146-T168 PolarHBondContact O-OG1 3.22Å; E146-Q169 PolarHBondContact O-N 3.22Å
147	M	98.9	Very high	98.5	Very high	28 Å²	28	43.1 Å²	43.1	14%	0.138	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	129	179.7	177.9	-167.6	-92	0	0	110.7	R124 K125 L126 Y127 Q169 Y171	R124-M147 PolarHBondContact O-N 3.11Å; K125-M147 WeakPolarHBondContact CA-O 3.49Å; K125-M147 HydrophobicContact CB-CB 4.4Å; K125-M147 HydrophobicContact CD-SD 4.37Å; K125-M147 HydrophobicContact CG-CB 4.16Å; L126-M147 PolarHBondContact N-O 2.7Å; Y127-M147 HydrophobicContact CE1-SD 3.52Å; Y127-M147 VanDerWaalsContact CE1-SD 3.52Å; Y127-M147 PolarHBondContact OH-SD 3.19Å; M147-Q169 WeakPolarHBondContact CA-O 3.31Å; M147-Q169 HydrophobicContact CB-CB 4.31Å; M147-Q169 HydrophobicContact CG-CB 4.13Å; M147-Y171 HydrophobicContact CE-CE2 4.15Å; M147-Y171 HydrophobicContact CG-CE2 4.22Å
148	L	98.9	Very high	98.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	122.8	174.4	179.1	59.7	0	0	0	110.1	L126 F128 L139 L145 L150 L161 L164 L167 Q169 L170 Y171	L126-L148 HydrophobicContact CB-CD1 4.19Å; L126-L148 HydrophobicContact CD2-CD1 4.21Å; L126-L148 HydrophobicContact CG-CD1 4.25Å; F128-L148 HydrophobicContact CD2-CD1 4.42Å; L139-L148 HydrophobicContact CD1-CD1 4.45Å; L139-L148 HydrophobicContact CD1-CD2 3.65Å; L145-L148 HydrophobicContact CD2-CB 3.97Å; L145-L148 HydrophobicContact CD2-CD1 4.25Å; L145-L148 HydrophobicContact CD2-CD2 4.43Å; L145-L148 HydrophobicContact CD2-CG 4.45Å; L148-L150 HydrophobicContact CD1-CD1 4.3Å; L148-L150 HydrophobicContact CD1-CD2 4.47Å; L148-L150 HydrophobicContact CD1-CG 4.11Å; L148-L150 HydrophobicContact CD2-CD1 3.75Å; L148-L150 HydrophobicContact CD2-CG 4.44Å; L148-L150 HydrophobicContact CG-CD1 3.85Å; L148-L150 HydrophobicContact CG-CG 4.03Å; L148-L161 HydrophobicContact CD2-CD2 3.76Å; L148-L164 HydrophobicContact CD2-CD1 4.28Å; L148-L167 HydrophobicContact CB-CD1 3.85Å; L148-L167 HydrophobicContact CB-CD2 4.41Å; L148-Q169 PolarHBondContact N-O 2.93Å; L148-L170 HydrophobicContact CB-CD1 4.14Å; L148-L170 HydrophobicContact CD2-CD1 4.08Å; L148-L170 HydrophobicContact CG-CD1 4.19Å; L148-Y171 PolarHBondContact O-N 2.83Å
149	E	98.9	Very high	98.5	Very high	36 Å²	36	39.8 Å²	39.8	17%	0.168	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	118.8	179.8	172	65.9	-101.3	0	0	110.7	L126 Y127 F128 V129 G151 Y171	L126-E149 PolarHBondContact O-N 2.74Å; Y127-E149 HydrophobicContact CD1-CB 3.85Å; Y127-E149 HydrophobicContact CD1-CG 4.26Å; F128-E149 WeakPolarHBondContact CA-O 3.3Å; F128-E149 WeakPolarHBondContact CB-O 3.21Å; F128-E149 PolarHBondContact N-O 2.78Å; V129-E149 HydrophobicContact CG2-CB 4.49Å; V129-E149 HydrophobicContact CG2-CG 3.15Å; E149-G151 VanDerWaalsContact OE1-CA 3.29Å; E149-G151 WeakPolarHBondContact OE1-CA 3.48Å; E149-G151 PolarHBondContact OE1-N 3.18Å; E149-Y171 HydrophobicContact CB-CD2 4.41Å; E149-Y171 WeakPolarHBondContact OE1-CB 3.45Å; E149-Y171 WeakPolarHBondContact OE2-CB 3.45Å
150	L	98.9	Very high	98.5	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.209	C	C	.	.			trans	-127.3	17	-172.8	-71.3	162.8	0	0	0	111.8	I114 F128 I136 L148 N153 I155 Y171 N175	I114-L150 HydrophobicContact CD1-CD2 4Å; F128-L150 HydrophobicContact CB-CD2 4.02Å; F128-L150 HydrophobicContact CD2-CD2 3.79Å; F128-L150 HydrophobicContact CG-CD2 4.32Å; I136-L150 HydrophobicContact CD1-CD1 3.75Å; I136-L150 HydrophobicContact CG1-CD1 3.9Å; L148-L150 HydrophobicContact CD1-CD1 4.3Å; L148-L150 HydrophobicContact CD1-CD2 4.47Å; L148-L150 HydrophobicContact CD1-CG 4.11Å; L148-L150 HydrophobicContact CD2-CD1 3.75Å; L148-L150 HydrophobicContact CD2-CG 4.44Å; L148-L150 HydrophobicContact CG-CD1 3.85Å; L148-L150 HydrophobicContact CG-CG 4.03Å; L150-N153 PolarHBondContact O-ND2 3.29Å; L150-I155 HydrophobicContact CB-CD1 3.79Å; L150-I155 HydrophobicContact CD1-CD1 4.1Å; L150-I155 HydrophobicContact CD2-CD1 4.02Å; L150-I155 HydrophobicContact CG-CD1 4.21Å; L150-Y171 PolarHBondContact N-O 3.35Å; L150-N175 PolarHBondContact O-ND2 3.41Å
151	G	98.8	Very high	98.6	Very high	5 Å²	5	40.1 Å²	40.1	5%	0.052	19%	0.189	C	C	.	.			trans	-56.4	149.7	-176.9	0	0	0	0	0	114.2	V129 N130 E149 N153 G173	V129-G151 CarbonylContact C-O 3.17Å; V129-G151 VanDerWaalsContact CA-O 3.26Å; V129-G151 WeakPolarHBondContact CA-O 3.06Å; N130-G151 PolarHBondContact N-O 3.33Å; E149-G151 VanDerWaalsContact OE1-CA 3.29Å; E149-G151 WeakPolarHBondContact OE1-CA 3.48Å; E149-G151 PolarHBondContact OE1-N 3.18Å; G151-N153 PolarHBondContact O-N 3.12Å; G151-N153 PolarHBondContact O-ND2 3.42Å; G151-N153 VanDerWaalsContact O-ND2 3.17Å; G151-G173 CarbonylContact C-O 3.29Å; G151-G173 WeakPolarHBondContact CA-O 3.18Å
152	S	98.8	Very high	98.6	Very high	39 Å²	39	39.4 Å²	39.4	27%	0.273	19%	0.185	S	C	.	.	S	Bend	trans	56.2	45.6	175.6	-53.2	0	0	0	0	114.1	N130 G173 K174	N130-S152 WeakPolarHBondContact CA-O 3.13Å; S152-G173 PolarHBondContact N-O 2.91Å; S152-K174 WeakPolarHBondContact CA-O 3.21Å
153	N	98.9	Very high	98.5	Very high	11 Å²	11	44 Å²	44	6%	0.059	21%	0.207	C	C	.	.	S	Bend	trans	-113.5	-157	176.1	-86	-72.9	0	0	0	111.1	F128 N131 H132 I133 L150 G151 I155 N175	F128-N153 PolarHBondContact O-ND2 3.22Å; N131-N153 WeakPolarHBondContact CA-OD1 3.44Å; N131-N153 WeakPolarHBondContact CB-OD1 3.49Å; N131-N153 PolarHBondContact N-OD1 3.44Å; N131-N153 PolarHBondContact O-OD1 3.3Å; H132-N153 PolarHBondContact N-OD1 3.09Å; I133-N153 HydrophobicContact CB-CB 4.38Å; I133-N153 WeakPolarHBondContact CB-OD1 3.47Å; I133-N153 PolarHBondContact N-OD1 3.44Å; L150-N153 PolarHBondContact O-ND2 3.29Å; G151-N153 PolarHBondContact O-N 3.12Å; G151-N153 PolarHBondContact O-ND2 3.42Å; G151-N153 VanDerWaalsContact O-ND2 3.17Å; N153-I155 HydrophobicContact CB-CD1 4.23Å; N153-I155 HydrophobicContact CB-CG1 4.27Å; N153-N175 VanDerWaalsContact CA-OD1 3.27Å; N153-N175 WeakPolarHBondContact CA-OD1 3.37Å; N153-N175 WeakPolarHBondContact CB-OD1 3.45Å; N153-N175 PolarHBondContact N-OD1 3.24Å; N153-N175 PolarHBondContact O-OD1 3.44Å
154	K	98.7	Very high	98.5	Very high	90 Å²	90	38.3 Å²	38.3	39%	0.391	18%	0.182	S	C	.	.			trans	-121.2	22.6	-179.9	-60.1	176.5	-174.4	168.8	0	111.8	I133 N175	I133-K154 CarbonylContact O-C 3.24Å; I133-K154 WeakPolarHBondContact O-CA 3.32Å; I133-K154 WeakPolarHBondContact O-CB 3.46Å; I133-K154 PolarHBondContact O-N 2.75Å; K154-N175 PolarHBondContact N-OD1 2.89Å
155	I	98.9	Very high	98.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.2	C	C	.	.			trans	-67.5	138.5	-176.4	-62.5	163.1	0	0	0	109.9	I133 I136 L150 N153 K157 N175 K176 I177	I133-I155 HydrophobicContact CG2-CG1 4.35Å; I133-I155 PolarHBondContact O-N 2.92Å; I136-I155 HydrophobicContact CD1-CD1 4.37Å; I136-I155 HydrophobicContact CD1-CG2 4.21Å; I136-I155 HydrophobicContact CG1-CD1 3.91Å; I136-I155 HydrophobicContact CG1-CG1 4.39Å; I136-I155 HydrophobicContact CG1-CG2 4.15Å; L150-I155 HydrophobicContact CB-CD1 3.79Å; L150-I155 HydrophobicContact CD1-CD1 4.1Å; L150-I155 HydrophobicContact CD2-CD1 4.02Å; L150-I155 HydrophobicContact CG-CD1 4.21Å; N153-I155 HydrophobicContact CB-CD1 4.23Å; N153-I155 HydrophobicContact CB-CG1 4.27Å; I155-K157 WeakPolarHBondContact CG2-O 3.14Å; I155-N175 HydrophobicContact CB-CB 4.28Å; I155-N175 WeakPolarHBondContact CB-OD1 3.19Å; I155-N175 PolarHBondContact N-OD1 2.6Å; I155-K176 CarbonylContact O-C 3.54Å; I155-K176 WeakPolarHBondContact O-CA 3Å; I155-K176 WeakPolarHBondContact O-CB 3.36Å; I155-K176 PolarHBondContact O-N 3.38Å; I155-I177 HydrophobicContact CG2-CD1 4.26Å; I155-I177 HydrophobicContact CG2-CG1 4.11Å
156	R	98.7	Very high	98.5	Very high	135 Å²	135	47.1 Å²	47.1	51%	0.509	22%	0.221	S	C	.	.			trans	-119.8	-10.7	-178.8	-66.7	176.3	-179.5	-83.1	8.1	113.6	K176 P178	R156-K176 HydrophobicContact CG-CB 3.96Å; R156-P178 WeakPolarHBondContact O-CD 2.97Å
157	K	98.7	Very high	98.4	Very high	89 Å²	89	44.1 Å²	44.1	39%	0.387	21%	0.206	S	C	.	.			trans	-147.6	136.3	-175.1	-170.3	174.3	177.3	-176.7	0	108.8	I155 E159 E181	I155-K157 WeakPolarHBondContact CG2-O 3.14Å; K157-E159 HydrophobicContact CB-CG 4.43Å; K157-E159 HydrophobicContact CD-CB 4.34Å; K157-E159 HydrophobicContact CG-CB 4.26Å; K157-E159 HydrophobicContact CG-CG 4.35Å; K157-E181 WeakPolarHBondContact CE-OE1 3.2Å; K157-E181 VanDerWaalsContact CG-OE1 3.31Å; K157-E181 WeakPolarHBondContact CG-OE1 2.88Å
158	L	98.6	Very high	98.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.212	C	C	.	.			trans	-81.3	116.5	164.6	-64.5	172.6	0	0	0	106.4	I136 L161 C172 I177 E181 N182 L183 I194	I136-L158 HydrophobicContact CD1-CD2 4.23Å; L158-L161 HydrophobicContact CD2-CD1 4.48Å; L158-C172 HydrophobicContact CD2-CB 4.46Å; L158-I177 HydrophobicContact CD1-CG2 4.34Å; L158-I177 HydrophobicContact CD2-CD1 3.84Å; L158-I177 HydrophobicContact CG-CD1 4.24Å; L158-I177 HydrophobicContact CG-CG2 4.13Å; L158-E181 VanDerWaalsContact CB-O 3.3Å; L158-E181 WeakPolarHBondContact CB-O 3.3Å; L158-N182 PolarHBondContact O-ND2 3.45Å; L158-L183 HydrophobicContact CB-CD2 4.31Å; L158-L183 HydrophobicContact CD1-CD1 4.17Å; L158-L183 HydrophobicContact CD1-CD2 4.08Å; L158-L183 HydrophobicContact CD1-CG 4.25Å; L158-I194 HydrophobicContact CD1-CD1 4.17Å
159	E	98.3	Very high	98.5	Very high	43 Å²	43	47 Å²	47	20%	0.201	22%	0.223	C	C	.	.			trans	-158.1	159.6	-175.2	55.6	174.5	131.3	0	0	109.7	K135 I136 K157 L161	K135-E159 WeakPolarHBondContact CE-OE2 3.31Å; K135-E159 IonicContact NZ-OE2 3.05Å; I136-E159 WeakPolarHBondContact CB-O 3.32Å; I136-E159 WeakPolarHBondContact CG2-O 3.07Å; K157-E159 HydrophobicContact CB-CG 4.43Å; K157-E159 HydrophobicContact CD-CB 4.34Å; K157-E159 HydrophobicContact CG-CB 4.26Å; K157-E159 HydrophobicContact CG-CG 4.35Å; E159-L161 PolarHBondContact O-N 2.8Å
160	N	98.3	Very high	98.5	Very high	69 Å²	69	45.3 Å²	45.3	37%	0.369	22%	0.215	S	C	.	.	S	Bend	trans	59.7	32.9	176	-48.1	-59.5	0	0	0	113.3	I136	I136-N160 PolarHBondContact O-ND2 3.16Å
161	L	98.6	Very high	98.5	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	22%	0.224	C	C	.	.			trans	-106.4	-6.4	174.8	-62.2	171.2	0	0	0	111.7	I136 L139 L148 L158 E159 E163 L164 L170 L183 L186	I136-L161 HydrophobicContact CD1-CD1 4.33Å; I136-L161 HydrophobicContact CG2-CD2 3.84Å; I136-L161 HydrophobicContact CG2-CG 4.3Å; L139-L161 HydrophobicContact CD1-CD2 4.33Å; L148-L161 HydrophobicContact CD2-CD2 3.76Å; L158-L161 HydrophobicContact CD2-CD1 4.48Å; E159-L161 PolarHBondContact O-N 2.8Å; L161-E163 PolarHBondContact O-N 2.92Å; L161-E163 VanDerWaalsContact O-N 3.07Å; L161-L164 HydrophobicContact CB-CD1 4.47Å; L161-L164 HydrophobicContact CD2-CD1 3.62Å; L161-L164 WeakPolarHBondContact O-CB 3.35Å; L161-L164 PolarHBondContact O-N 2.98Å; L161-L170 HydrophobicContact CD1-CD2 3.92Å; L161-L183 HydrophobicContact CD1-CD2 3.84Å; L161-L186 HydrophobicContact CB-CD1 4.15Å; L161-L186 HydrophobicContact CD1-CD1 4.37Å; L161-L186 WeakPolarHBondContact O-CD2 3.49Å
162	D	96.3	Very high	98.4	Very high	60 Å²	60	47.3 Å²	47.3	32%	0.321	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-26.2	-166	-53.5	-85.4	0	0	0	114.5	N185	D162-N185 WeakPolarHBondContact O-CB 3.47Å; D162-N185 PolarHBondContact O-ND2 3.3Å; D162-N185 VanDerWaalsContact O-ND2 3.08Å
163	E	97.4	Very high	98.4	Very high	98 Å²	98	45.7 Å²	45.7	46%	0.458	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-6.5	-179.8	-59.1	-69.2	144.6	0	0	113.2	L161 E165	L161-E163 PolarHBondContact O-N 2.92Å; L161-E163 VanDerWaalsContact O-N 3.07Å; E163-E165 PolarHBondContact O-N 3Å
164	L	98.3	Very high	98.4	Very high	1 Å²	1	51 Å²	51	1%	0.005	23%	0.233	C	C	.	.			trans	-85.9	52.1	-176.7	-54.4	-178.4	0	0	0	111.4	L139 L142 L145 L148 L161 K166 L167 L186	L139-L164 HydrophobicContact CB-CD1 4.4Å; L139-L164 HydrophobicContact CB-CD2 4.39Å; L139-L164 HydrophobicContact CD1-CD1 4.35Å; L139-L164 WeakPolarHBondContact O-CD2 3.16Å; L142-L164 HydrophobicContact CB-CD2 4.29Å; L142-L164 WeakPolarHBondContact O-CD2 3.27Å; L145-L164 HydrophobicContact CB-CD2 4.36Å; L145-L164 HydrophobicContact CD2-CD1 4.19Å; L145-L164 HydrophobicContact CD2-CD2 4.48Å; L148-L164 HydrophobicContact CD2-CD1 4.28Å; L161-L164 HydrophobicContact CB-CD1 4.47Å; L161-L164 HydrophobicContact CD2-CD1 3.62Å; L161-L164 WeakPolarHBondContact O-CB 3.35Å; L161-L164 PolarHBondContact O-N 2.98Å; L164-K166 PolarHBondContact O-N 3Å; L164-L167 HydrophobicContact CB-CB 4.13Å; L164-L167 HydrophobicContact CD1-CD2 4.47Å; L164-L167 WeakPolarHBondContact O-CB 3.13Å; L164-L167 PolarHBondContact O-N 3.12Å; L164-L186 HydrophobicContact CB-CD2 4.14Å; L164-L186 WeakPolarHBondContact O-CD2 3.34Å
165	E	97	Very high	98.4	Very high	120 Å²	120	47.2 Å²	47.2	56%	0.561	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-25.8	-172.6	-64.5	-179.5	-166.7	0	0	113.7	E163 L167 N188	E163-E165 PolarHBondContact O-N 3Å; E165-L167 VanDerWaalsContact C-N 3.34Å; E165-N188 PolarHBondContact O-ND2 2.73Å
166	K	98.7	Very high	98.4	Very high	102 Å²	102	50.3 Å²	50.3	44%	0.443	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-1	178.2	-67.7	-173.7	-176.9	173.3	0	114.2	K143 D144 L145 L164 T168	K143-K166 WeakPolarHBondContact O-CD 3.18Å; D144-K166 IonicContact OD1-NZ 2.68Å; D144-K166 PolarHBondContact OD1-NZ 2.85Å; L145-K166 CarbonylContact O-C 3.51Å; L145-K166 VanDerWaalsContact O-C 3.25Å; L164-K166 PolarHBondContact O-N 3Å; K166-T168 PolarHBondContact O-N 2.92Å
167	L	98.9	Very high	98.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.206	C	C	.	.			trans	-65.9	122.4	-177.8	-159.5	74.4	0	0	0	110.5	L145 L148 L164 E165 L170 L186 N188 L189	L145-L167 HydrophobicContact CB-CD1 4.46Å; L145-L167 HydrophobicContact CD2-CD1 4.13Å; L145-L167 HydrophobicContact CG-CD1 4.09Å; L145-L167 VanDerWaalsContact O-CA 3.31Å; L145-L167 WeakPolarHBondContact O-CA 3.34Å; L145-L167 PolarHBondContact O-N 2.94Å; L145-L167 VanDerWaalsContact O-N 3.16Å; L148-L167 HydrophobicContact CB-CD1 3.85Å; L148-L167 HydrophobicContact CB-CD2 4.41Å; L164-L167 HydrophobicContact CB-CB 4.13Å; L164-L167 HydrophobicContact CD1-CD2 4.47Å; L164-L167 WeakPolarHBondContact O-CB 3.13Å; L164-L167 PolarHBondContact O-N 3.12Å; E165-L167 VanDerWaalsContact C-N 3.34Å; L167-L170 HydrophobicContact CD2-CB 4Å; L167-L170 HydrophobicContact CD2-CD1 4.22Å; L167-L170 HydrophobicContact CD2-CG 4.49Å; L167-L186 HydrophobicContact CB-CD2 4.41Å; L167-L186 HydrophobicContact CD2-CD1 4.16Å; L167-N188 CarbonylContact O-C 3.25Å; L167-L189 HydrophobicContact CD2-CD2 4.21Å; L167-L189 HydrophobicContact CG-CD2 4.17Å; L167-L189 PolarHBondContact O-N 2.77Å
168	T	98.9	Very high	98.4	Very high	43 Å²	43	43.1 Å²	43.1	26%	0.264	21%	0.21	S	C	.	.			trans	-107.7	-26.1	178.6	62.5	0	0	0	0	112.1	E146 K166 L189 T190 I191	E146-T168 PolarHBondContact O-N 3.25Å; E146-T168 PolarHBondContact O-OG1 3.22Å; K166-T168 PolarHBondContact O-N 2.92Å; T168-L189 WeakPolarHBondContact O-CA 3.42Å; T168-T190 PolarHBondContact O-N 2.82Å; T168-T190 PolarHBondContact O-OG1 3.36Å; T168-I191 PolarHBondContact O-N 3.28Å; T168-I191 VanDerWaalsContact O-N 3.1Å
169	Q	99	Very high	98.4	Very high	47 Å²	47	44.5 Å²	44.5	22%	0.22	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	122.7	-178.7	-51.8	-177.1	32	0	0	110.9	E146 M147 L148 Y171 I191	E146-Q169 PolarHBondContact O-N 3.22Å; M147-Q169 WeakPolarHBondContact CA-O 3.31Å; M147-Q169 HydrophobicContact CB-CB 4.31Å; M147-Q169 HydrophobicContact CG-CB 4.13Å; L148-Q169 PolarHBondContact N-O 2.93Å; Q169-Y171 HydrophobicContact CB-CD2 4.38Å; Q169-Y171 HydrophobicContact CB-CE2 3.62Å; Q169-Y171 PolarHBondContact OE1-OH 3.4Å; Q169-I191 WeakPolarHBondContact CA-O 3.08Å; Q169-I191 HydrophobicContact CB-CB 4.3Å; Q169-I191 HydrophobicContact CG-CB 4.13Å; Q169-I191 HydrophobicContact CG-CD1 4.18Å; Q169-I191 HydrophobicContact CG-CG1 4.28Å
170	L	98.9	Very high	98.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	118.8	176.5	178.7	60.4	0	0	0	110.2	L148 L161 L167 L183 L186 L189 I191 L192 S193	L148-L170 HydrophobicContact CB-CD1 4.14Å; L148-L170 HydrophobicContact CD2-CD1 4.08Å; L148-L170 HydrophobicContact CG-CD1 4.19Å; L161-L170 HydrophobicContact CD1-CD2 3.92Å; L167-L170 HydrophobicContact CD2-CB 4Å; L167-L170 HydrophobicContact CD2-CD1 4.22Å; L167-L170 HydrophobicContact CD2-CG 4.49Å; L170-L183 HydrophobicContact CD2-CD2 4.08Å; L170-L186 HydrophobicContact CD2-CD1 4.33Å; L170-L189 HydrophobicContact CB-CD1 4.44Å; L170-L189 HydrophobicContact CB-CD2 3.82Å; L170-I191 PolarHBondContact N-O 2.9Å; L170-L192 HydrophobicContact CB-CD1 4Å; L170-L192 HydrophobicContact CD2-CD1 3.91Å; L170-L192 HydrophobicContact CG-CD1 4.05Å; L170-L192 WeakPolarHBondContact O-CA 3.36Å; L170-S193 PolarHBondContact O-N 2.95Å
171	Y	98.9	Very high	98.4	Very high	47 Å²	47	43 Å²	43	18%	0.184	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	119.3	177.9	-56	-95.2	0	0	0	109.8	M147 L148 E149 L150 Q169 I191 S193	M147-Y171 HydrophobicContact CE-CE2 4.15Å; M147-Y171 HydrophobicContact CG-CE2 4.22Å; L148-Y171 PolarHBondContact O-N 2.83Å; E149-Y171 HydrophobicContact CB-CD2 4.41Å; E149-Y171 WeakPolarHBondContact OE1-CB 3.45Å; E149-Y171 WeakPolarHBondContact OE2-CB 3.45Å; L150-Y171 PolarHBondContact N-O 3.35Å; Q169-Y171 HydrophobicContact CB-CD2 4.38Å; Q169-Y171 HydrophobicContact CB-CE2 3.62Å; Q169-Y171 PolarHBondContact OE1-OH 3.4Å; Y171-I191 HydrophobicContact CE1-CG2 3.86Å; Y171-S193 VanDerWaalsContact CD1-CB 3.46Å
172	C	98.6	Very high	98.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.226	C	C	.	.			trans	-132.8	24.9	-175.8	-72.4	0	0	0	0	111.2	L158 N175 I177 S193 N197	L158-C172 HydrophobicContact CD2-CB 4.46Å; C172-N175 PolarHBondContact O-ND2 2.88Å; C172-N175 VanDerWaalsContact O-ND2 3.08Å; C172-I177 HydrophobicContact CB-CD1 3.8Å; C172-S193 CarbonylContact C-O 3.22Å; C172-S193 PolarHBondContact N-O 3.44Å; C172-N197 PolarHBondContact O-ND2 3.02Å
173	G	98.7	Very high	98.5	Very high	4 Å²	4	42.7 Å²	42.7	4%	0.041	21%	0.211	C	C	.	.			trans	-60.2	156.5	-177.7	0	0	0	0	0	113.6	G151 S152 N175 S193 Q195	G151-G173 CarbonylContact C-O 3.29Å; G151-G173 WeakPolarHBondContact CA-O 3.18Å; S152-G173 PolarHBondContact N-O 2.91Å; G173-N175 VanDerWaalsContact C-N 3.34Å; G173-N175 PolarHBondContact O-N 3.26Å; G173-N175 PolarHBondContact O-ND2 3.38Å; G173-N175 VanDerWaalsContact O-ND2 3.1Å; G173-S193 PolarHBondContact N-O 2.93Å; G173-Q195 CarbonylContact C-O 3.34Å; G173-Q195 WeakPolarHBondContact CA-O 3.27Å
174	K	98.8	Very high	98.5	Very high	123 Å²	123	42.2 Å²	42.2	54%	0.535	21%	0.212	S	C	.	.	S	Bend	trans	53.3	45.8	175.2	-60.9	-177.3	179.1	177.3	0	113.6	S152 Q195 G196	S152-K174 WeakPolarHBondContact CA-O 3.21Å; K174-Q195 PolarHBondContact N-O 2.79Å; K174-G196 VanDerWaalsContact CA-O 3.25Å; K174-G196 WeakPolarHBondContact CA-O 3.35Å
175	N	98.9	Very high	98.5	Very high	10 Å²	10	46 Å²	46	5%	0.053	23%	0.232	C	C	.	.	S	Bend	trans	-113.7	-152.6	174.7	-86.1	-74.8	0	0	0	110.2	L150 N153 K154 I155 C172 G173 I177 G196 N197	L150-N175 PolarHBondContact O-ND2 3.41Å; N153-N175 VanDerWaalsContact CA-OD1 3.27Å; N153-N175 WeakPolarHBondContact CA-OD1 3.37Å; N153-N175 WeakPolarHBondContact CB-OD1 3.45Å; N153-N175 PolarHBondContact N-OD1 3.24Å; N153-N175 PolarHBondContact O-OD1 3.44Å; K154-N175 PolarHBondContact N-OD1 2.89Å; I155-N175 HydrophobicContact CB-CB 4.28Å; I155-N175 WeakPolarHBondContact CB-OD1 3.19Å; I155-N175 PolarHBondContact N-OD1 2.6Å; C172-N175 PolarHBondContact O-ND2 2.88Å; C172-N175 VanDerWaalsContact O-ND2 3.08Å; G173-N175 VanDerWaalsContact C-N 3.34Å; G173-N175 PolarHBondContact O-N 3.26Å; G173-N175 PolarHBondContact O-ND2 3.38Å; G173-N175 VanDerWaalsContact O-ND2 3.1Å; N175-I177 HydrophobicContact CB-CD1 4.06Å; N175-I177 HydrophobicContact CB-CG1 4.16Å; N175-G196 PolarHBondContact N-O 3.1Å; N175-N197 VanDerWaalsContact CA-OD1 3.31Å; N175-N197 WeakPolarHBondContact CA-OD1 3.29Å; N175-N197 WeakPolarHBondContact CB-OD1 3.39Å; N175-N197 PolarHBondContact N-OD1 2.81Å
176	K	98.7	Very high	98.6	Very high	66 Å²	66	40.4 Å²	40.4	29%	0.287	21%	0.206	S	C	.	.			trans	-130.4	31.1	179.5	-61.4	175	-173.8	168.8	0	111.2	I155 R156 P178 N197	I155-K176 CarbonylContact O-C 3.54Å; I155-K176 WeakPolarHBondContact O-CA 3Å; I155-K176 WeakPolarHBondContact O-CB 3.36Å; I155-K176 PolarHBondContact O-N 3.38Å; R156-K176 HydrophobicContact CG-CB 3.96Å; K176-P178 WeakPolarHBondContact O-CD 3.14Å; K176-N197 PolarHBondContact N-OD1 3.38Å
177	I	98.9	Very high	98.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.201	C	C	.	.			trans	-75.9	121	-174.9	-61.6	161.7	0	0	0	109.4	I155 L158 C172 N175 A179 I194 N197 R198 L199	I155-I177 HydrophobicContact CG2-CD1 4.26Å; I155-I177 HydrophobicContact CG2-CG1 4.11Å; L158-I177 HydrophobicContact CD1-CG2 4.34Å; L158-I177 HydrophobicContact CD2-CD1 3.84Å; L158-I177 HydrophobicContact CG-CD1 4.24Å; L158-I177 HydrophobicContact CG-CG2 4.13Å; C172-I177 HydrophobicContact CB-CD1 3.8Å; N175-I177 HydrophobicContact CB-CD1 4.06Å; N175-I177 HydrophobicContact CB-CG1 4.16Å; I177-A179 WeakPolarHBondContact CG2-O 3.26Å; I177-I194 HydrophobicContact CD1-CG2 4.3Å; I177-N197 HydrophobicContact CB-CB 4.38Å; I177-N197 VanDerWaalsContact CB-OD1 3.32Å; I177-N197 WeakPolarHBondContact CB-OD1 3.29Å; I177-N197 PolarHBondContact N-OD1 3.26Å; I177-R198 CarbonylContact O-C 3.58Å; I177-R198 WeakPolarHBondContact O-CA 3.29Å; I177-R198 PolarHBondContact O-N 2.76Å; I177-L199 HydrophobicContact CG2-CD2 4.33Å; I177-L199 PolarHBondContact O-N 2.88Å
178	P	98.5	Very high	98.5	Very high	72 Å²	72	41.8 Å²	41.8	47%	0.468	22%	0.22	S	C	.	.			trans	-92.2	-18.1	-176.9	35.7	-34.5	0	0	0	114.1	R156 K176 R198	R156-P178 WeakPolarHBondContact O-CD 2.97Å; K176-P178 WeakPolarHBondContact O-CD 3.14Å; P178-R198 HydrophobicContact CB-CB 4.49Å
179	A	98.6	Very high	98.5	Very high	30 Å²	30	39.7 Å²	39.7	25%	0.248	21%	0.207	C	C	.	.	S	Bend	trans	-148.8	152.4	-178.1	0	0	0	0	0	110.8	I177	I177-A179 WeakPolarHBondContact CG2-O 3.26Å
180	I	98.7	Very high	98.5	Very high	4 Å²	4	39.2 Å²	39.2	2%	0.021	21%	0.207	C	C	.	.			trans	-90.9	114.1	170.4	-56.6	174.4	0	0	0	106.8	L183 I194 L199 N203 L205 L216	I180-L183 HydrophobicContact CG2-CD1 3.72Å; I180-L183 HydrophobicContact CG2-CG 4.35Å; I180-I194 HydrophobicContact CD1-CD1 4.07Å; I180-I194 HydrophobicContact CG1-CD1 3.83Å; I180-L199 HydrophobicContact CD1-CD1 4.01Å; I180-L199 HydrophobicContact CG1-CD1 3.98Å; I180-L199 HydrophobicContact CG1-CD2 3.91Å; I180-N203 VanDerWaalsContact CB-O 3.28Å; I180-N203 WeakPolarHBondContact CB-O 3.29Å; I180-L205 HydrophobicContact CD1-CD1 4.43Å; I180-L205 HydrophobicContact CD1-CD2 4.14Å; I180-L205 HydrophobicContact CD1-CG 4.34Å; I180-L205 HydrophobicContact CG2-CD2 3.87Å; I180-L205 HydrophobicContact CG2-CG 4.44Å; I180-L216 HydrophobicContact CD1-CD2 4.03Å
181	E	97.7	Very high	98.5	Very high	76 Å²	76	40 Å²	40	36%	0.355	21%	0.212	S	C	.	.			trans	-152.8	163.3	-175.7	54.3	175.9	-161	0	0	110	K157 L158 L183	K157-E181 WeakPolarHBondContact CE-OE1 3.2Å; K157-E181 VanDerWaalsContact CG-OE1 3.31Å; K157-E181 WeakPolarHBondContact CG-OE1 2.88Å; L158-E181 VanDerWaalsContact CB-O 3.3Å; L158-E181 WeakPolarHBondContact CB-O 3.3Å; E181-L183 PolarHBondContact O-N 2.84Å
182	N	97.9	Very high	98.5	Very high	53 Å²	53	37.8 Å²	37.8	28%	0.283	20%	0.203	S	C	.	.	S	Bend	trans	58	33.7	177.8	-46	-54.5	0	0	0	113.5	L158	L158-N182 PolarHBondContact O-ND2 3.45Å
183	L	98.5	Very high	98.5	Very high	1 Å²	1	38 Å²	38	1%	0.005	20%	0.204	C	C	.	.			trans	-108.7	4.9	174.2	-55.4	-168.6	0	0	0	112.4	L158 L161 L170 I180 E181 N185 L186 L192 L208	L158-L183 HydrophobicContact CB-CD2 4.31Å; L158-L183 HydrophobicContact CD1-CD1 4.17Å; L158-L183 HydrophobicContact CD1-CD2 4.08Å; L158-L183 HydrophobicContact CD1-CG 4.25Å; L161-L183 HydrophobicContact CD1-CD2 3.84Å; L170-L183 HydrophobicContact CD2-CD2 4.08Å; I180-L183 HydrophobicContact CG2-CD1 3.72Å; I180-L183 HydrophobicContact CG2-CG 4.35Å; E181-L183 PolarHBondContact O-N 2.84Å; L183-N185 VanDerWaalsContact C-N 3.26Å; L183-N185 PolarHBondContact O-N 3.08Å; L183-L186 HydrophobicContact CB-CD1 4.43Å; L183-L186 HydrophobicContact CD2-CD1 3.79Å; L183-L186 WeakPolarHBondContact O-CB 3.5Å; L183-L186 PolarHBondContact O-N 3.1Å; L183-L192 HydrophobicContact CD1-CD1 4.22Å; L183-L192 HydrophobicContact CD1-CD2 3.89Å; L183-L208 HydrophobicContact CB-CD1 4.42Å; L183-L208 HydrophobicContact CB-CD2 4.28Å; L183-L208 HydrophobicContact CD1-CD1 4.13Å; L183-L208 WeakPolarHBondContact O-CD2 3.48Å
184	D	97.8	Very high	98.5	Very high	88 Å²	88	37.8 Å²	37.8	47%	0.471	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-33.2	-168.7	-70.8	-56.2	0	0	0	113.9	S207	D184-S207 WeakPolarHBondContact O-CB 3.32Å; D184-S207 PolarHBondContact OD1-OG 2.91Å
185	N	97.7	Very high	98.5	Very high	81 Å²	81	34.6 Å²	34.6	43%	0.433	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-14.5	178.3	-68.7	-6.5	0	0	0	113.5	D162 L183 T187	D162-N185 WeakPolarHBondContact O-CB 3.47Å; D162-N185 PolarHBondContact O-ND2 3.3Å; D162-N185 VanDerWaalsContact O-ND2 3.08Å; L183-N185 VanDerWaalsContact C-N 3.26Å; L183-N185 PolarHBondContact O-N 3.08Å; N185-T187 PolarHBondContact O-N 2.67Å
186	L	98.4	Very high	98.5	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	20%	0.195	C	C	.	.			trans	-82.2	45.4	-174.7	-54.8	-172.6	0	0	0	112.2	L161 L164 L167 L170 L183 N188 L189 L208	L161-L186 HydrophobicContact CB-CD1 4.15Å; L161-L186 HydrophobicContact CD1-CD1 4.37Å; L161-L186 WeakPolarHBondContact O-CD2 3.49Å; L164-L186 HydrophobicContact CB-CD2 4.14Å; L164-L186 WeakPolarHBondContact O-CD2 3.34Å; L167-L186 HydrophobicContact CB-CD2 4.41Å; L167-L186 HydrophobicContact CD2-CD1 4.16Å; L170-L186 HydrophobicContact CD2-CD1 4.33Å; L183-L186 HydrophobicContact CB-CD1 4.43Å; L183-L186 HydrophobicContact CD2-CD1 3.79Å; L183-L186 WeakPolarHBondContact O-CB 3.5Å; L183-L186 PolarHBondContact O-N 3.1Å; L186-N188 PolarHBondContact O-N 3.45Å; L186-L189 HydrophobicContact CB-CD1 3.59Å; L186-L189 HydrophobicContact CB-CG 3.83Å; L186-L189 HydrophobicContact CD1-CD1 3.77Å; L186-L189 HydrophobicContact CD1-CG 4.47Å; L186-L189 HydrophobicContact CG-CD1 4.37Å; L186-L189 WeakPolarHBondContact O-CB 3.34Å; L186-L189 WeakPolarHBondContact O-CG 3.44Å; L186-L189 PolarHBondContact O-N 2.76Å; L186-L208 HydrophobicContact CB-CD2 4.26Å; L186-L208 WeakPolarHBondContact O-CD2 3.14Å
187	T	98.3	Very high	98.6	Very high	58 Å²	58	32.5 Å²	32.5	36%	0.356	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-16.6	-172.3	60.2	0	0	0	0	113.6	N185 N210	N185-T187 PolarHBondContact O-N 2.67Å; T187-N210 WeakPolarHBondContact O-CB 3.27Å; T187-N210 PolarHBondContact O-ND2 3.42Å
188	N	98.8	Very high	98.5	Very high	73 Å²	73	39 Å²	39	39%	0.39	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-2.2	176.7	-68.8	-47.1	0	0	0	114.3	E165 L167 L186 T190	E165-N188 PolarHBondContact O-ND2 2.73Å; L167-N188 CarbonylContact O-C 3.25Å; L186-N188 PolarHBondContact O-N 3.45Å; N188-T190 PolarHBondContact O-N 2.74Å
189	L	98.9	Very high	98.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.187	C	C	.	.			trans	-59.9	125.1	177.3	-79.7	175.6	0	0	0	111.4	L167 T168 L170 L186 L208 N210 L211	L167-L189 HydrophobicContact CD2-CD2 4.21Å; L167-L189 HydrophobicContact CG-CD2 4.17Å; L167-L189 PolarHBondContact O-N 2.77Å; T168-L189 WeakPolarHBondContact O-CA 3.42Å; L170-L189 HydrophobicContact CB-CD1 4.44Å; L170-L189 HydrophobicContact CB-CD2 3.82Å; L186-L189 HydrophobicContact CB-CD1 3.59Å; L186-L189 HydrophobicContact CB-CG 3.83Å; L186-L189 HydrophobicContact CD1-CD1 3.77Å; L186-L189 HydrophobicContact CD1-CG 4.47Å; L186-L189 HydrophobicContact CG-CD1 4.37Å; L186-L189 WeakPolarHBondContact O-CB 3.34Å; L186-L189 WeakPolarHBondContact O-CG 3.44Å; L186-L189 PolarHBondContact O-N 2.76Å; L189-L208 HydrophobicContact CD1-CD1 4.14Å; L189-L208 HydrophobicContact CD1-CD2 4.17Å; L189-N210 CarbonylContact O-C 3.39Å; L189-L211 HydrophobicContact CB-CD1 4.18Å; L189-L211 WeakPolarHBondContact O-CA 3.35Å; L189-L211 PolarHBondContact O-N 3.42Å
190	T	98.9	Very high	98.6	Very high	36 Å²	36	38.1 Å²	38.1	22%	0.221	20%	0.2	C	C	.	.	S	Bend	trans	-106.7	-27.8	171.1	60.5	0	0	0	0	111.5	T168 N188 E212 Q213	T168-T190 PolarHBondContact O-N 2.82Å; T168-T190 PolarHBondContact O-OG1 3.36Å; N188-T190 PolarHBondContact O-N 2.74Å; T190-E212 WeakPolarHBondContact O-CA 3.01Å; T190-E212 PolarHBondContact O-N 2.87Å; T190-Q213 PolarHBondContact O-N 3.3Å
191	I	99	Very high	98.6	Very high	17 Å²	17	43.2 Å²	43.2	9%	0.087	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	126.2	177.2	-55.5	-178	0	0	0	110.4	T168 Q169 L170 Y171 Q213 Y215	T168-I191 PolarHBondContact O-N 3.28Å; T168-I191 VanDerWaalsContact O-N 3.1Å; Q169-I191 WeakPolarHBondContact CA-O 3.08Å; Q169-I191 HydrophobicContact CB-CB 4.3Å; Q169-I191 HydrophobicContact CG-CB 4.13Å; Q169-I191 HydrophobicContact CG-CD1 4.18Å; Q169-I191 HydrophobicContact CG-CG1 4.28Å; L170-I191 PolarHBondContact N-O 2.9Å; Y171-I191 HydrophobicContact CE1-CG2 3.86Å; I191-Q213 WeakPolarHBondContact CA-O 3.5Å; I191-Q213 HydrophobicContact CG1-CB 4.17Å; I191-Q213 HydrophobicContact CG1-CG 4.28Å; I191-Q213 HydrophobicContact CG2-CB 4.36Å; I191-Y215 HydrophobicContact CG2-CD2 4.48Å; I191-Y215 HydrophobicContact CG2-CE2 4.17Å
192	L	98.9	Very high	98.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	118.6	172	-178	61.3	0	0	0	110.1	L170 L183 I194 L205 L208 L211 Q213 L214 Y215	L170-L192 HydrophobicContact CB-CD1 4Å; L170-L192 HydrophobicContact CD2-CD1 3.91Å; L170-L192 HydrophobicContact CG-CD1 4.05Å; L170-L192 WeakPolarHBondContact O-CA 3.36Å; L183-L192 HydrophobicContact CD1-CD1 4.22Å; L183-L192 HydrophobicContact CD1-CD2 3.89Å; L192-I194 HydrophobicContact CD1-CD1 3.87Å; L192-I194 HydrophobicContact CD1-CG1 3.93Å; L192-I194 HydrophobicContact CD2-CD1 3.95Å; L192-I194 HydrophobicContact CG-CD1 3.89Å; L192-I194 HydrophobicContact CG-CG1 4Å; L192-L205 HydrophobicContact CD2-CD2 3.56Å; L192-L208 HydrophobicContact CD2-CD1 3.93Å; L192-L211 HydrophobicContact CB-CD1 3.7Å; L192-L211 HydrophobicContact CB-CD2 4.25Å; L192-Q213 PolarHBondContact N-O 3.36Å; L192-L214 HydrophobicContact CB-CD1 4.18Å; L192-L214 HydrophobicContact CD2-CD1 4.12Å; L192-L214 HydrophobicContact CG-CD1 4.26Å; L192-L214 WeakPolarHBondContact O-CA 3.43Å; L192-Y215 PolarHBondContact O-N 3.32Å
193	S	98.9	Very high	98.6	Very high	4 Å²	4	40.5 Å²	40.5	3%	0.028	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	110.9	-178.6	-162.4	0	0	0	0	110.8	L170 Y171 C172 G173 Q195	L170-S193 PolarHBondContact O-N 2.95Å; Y171-S193 VanDerWaalsContact CD1-CB 3.46Å; C172-S193 CarbonylContact C-O 3.22Å; C172-S193 PolarHBondContact N-O 3.44Å; G173-S193 PolarHBondContact N-O 2.93Å; S193-Q195 VanDerWaalsContact OG-CD 3.25Å; S193-Q195 PolarHBondContact OG-NE2 2.98Å; S193-Q195 PolarHBondContact OG-OE1 3.04Å
194	I	98.7	Very high	98.6	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.226	C	C	.	.			trans	-131.1	34.7	-179.6	-43.8	175.2	0	0	0	109.8	L158 I177 I180 L192 N197 L199 Y215 L216 N219	L158-I194 HydrophobicContact CD1-CD1 4.17Å; I177-I194 HydrophobicContact CD1-CG2 4.3Å; I180-I194 HydrophobicContact CD1-CD1 4.07Å; I180-I194 HydrophobicContact CG1-CD1 3.83Å; L192-I194 HydrophobicContact CD1-CD1 3.87Å; L192-I194 HydrophobicContact CD1-CG1 3.93Å; L192-I194 HydrophobicContact CD2-CD1 3.95Å; L192-I194 HydrophobicContact CG-CD1 3.89Å; L192-I194 HydrophobicContact CG-CG1 4Å; I194-N197 HydrophobicContact CG2-CB 3.95Å; I194-N197 VanDerWaalsContact CG2-ND2 3.34Å; I194-N197 WeakPolarHBondContact CG2-ND2 3.28Å; I194-N197 PolarHBondContact O-ND2 3.33Å; I194-L199 HydrophobicContact CB-CD1 4.22Å; I194-L199 HydrophobicContact CG2-CD1 3.93Å; I194-L199 HydrophobicContact CG2-CG 4.46Å; I194-Y215 CarbonylContact C-O 3.4Å; I194-Y215 PolarHBondContact N-O 2.9Å; I194-L216 HydrophobicContact CB-CD2 4.2Å; I194-N219 PolarHBondContact O-ND2 3.17Å
195	Q	98.8	Very high	98.6	Very high	56 Å²	56	37.9 Å²	37.9	26%	0.262	20%	0.204	S	C	.	.			trans	-63.7	153.1	175.6	75.3	-79.3	37.4	0	0	112	G173 K174 S193 N197 Y215 S217	G173-Q195 CarbonylContact C-O 3.34Å; G173-Q195 WeakPolarHBondContact CA-O 3.27Å; K174-Q195 PolarHBondContact N-O 2.79Å; S193-Q195 VanDerWaalsContact OG-CD 3.25Å; S193-Q195 PolarHBondContact OG-NE2 2.98Å; S193-Q195 PolarHBondContact OG-OE1 3.04Å; Q195-N197 PolarHBondContact O-N 3.2Å; Q195-N197 PolarHBondContact O-ND2 2.96Å; Q195-N197 VanDerWaalsContact O-ND2 3.12Å; Q195-Y215 PolarHBondContact N-O 2.75Å; Q195-S217 CarbonylContact C-O 3.42Å; Q195-S217 WeakPolarHBondContact CA-O 3.13Å; Q195-S217 WeakPolarHBondContact CB-O 3.4Å; Q195-S217 WeakPolarHBondContact CB-OG 3.36Å
196	G	98.7	Very high	98.7	Very high	17 Å²	17	37 Å²	37	18%	0.175	21%	0.207	C	C	.	.	S	Bend	trans	65.6	38	174	0	0	0	0	0	113.6	K174 N175 S217 E218	K174-G196 VanDerWaalsContact CA-O 3.25Å; K174-G196 WeakPolarHBondContact CA-O 3.35Å; N175-G196 PolarHBondContact N-O 3.1Å; G196-S217 PolarHBondContact N-O 2.93Å; G196-E218 WeakPolarHBondContact CA-O 3.43Å; G196-E218 PolarHBondContact N-O 3.41Å
197	N	98.9	Very high	98.7	Very high	15 Å²	15	38.8 Å²	38.8	8%	0.08	22%	0.22	C	C	.	.	S	Bend	trans	-115.1	-152.3	-178.8	-88.6	-77.9	0	0	0	110.8	C172 N175 K176 I177 I194 Q195 L199 E218 N219	C172-N197 PolarHBondContact O-ND2 3.02Å; N175-N197 VanDerWaalsContact CA-OD1 3.31Å; N175-N197 WeakPolarHBondContact CA-OD1 3.29Å; N175-N197 WeakPolarHBondContact CB-OD1 3.39Å; N175-N197 PolarHBondContact N-OD1 2.81Å; K176-N197 PolarHBondContact N-OD1 3.38Å; I177-N197 HydrophobicContact CB-CB 4.38Å; I177-N197 VanDerWaalsContact CB-OD1 3.32Å; I177-N197 WeakPolarHBondContact CB-OD1 3.29Å; I177-N197 PolarHBondContact N-OD1 3.26Å; I194-N197 HydrophobicContact CG2-CB 3.95Å; I194-N197 VanDerWaalsContact CG2-ND2 3.34Å; I194-N197 WeakPolarHBondContact CG2-ND2 3.28Å; I194-N197 PolarHBondContact O-ND2 3.33Å; Q195-N197 PolarHBondContact O-N 3.2Å; Q195-N197 PolarHBondContact O-ND2 2.96Å; Q195-N197 VanDerWaalsContact O-ND2 3.12Å; N197-L199 HydrophobicContact CB-CG 4.45Å; N197-E218 PolarHBondContact N-O 2.82Å; N197-N219 VanDerWaalsContact CA-OD1 3.27Å; N197-N219 WeakPolarHBondContact CA-OD1 3.35Å; N197-N219 VanDerWaalsContact CB-OD1 3.25Å; N197-N219 WeakPolarHBondContact CB-OD1 3.41Å; N197-N219 PolarHBondContact N-OD1 2.81Å; N197-N219 PolarHBondContact O-OD1 2.75Å
198	R	98.7	Very high	98.7	Very high	136 Å²	136	36 Å²	36	51%	0.513	20%	0.203	S	C	.	.			trans	-124.1	24.7	-177.3	-59.5	179.8	177.8	-156	-9.4	111.7	I177 P178 T200 N219	I177-R198 CarbonylContact O-C 3.58Å; I177-R198 WeakPolarHBondContact O-CA 3.29Å; I177-R198 PolarHBondContact O-N 2.76Å; P178-R198 HydrophobicContact CB-CB 4.49Å; R198-T200 PolarHBondContact O-N 2.71Å; R198-N219 PolarHBondContact N-OD1 3.33Å
199	L	98.9	Very high	98.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.204	C	C	.	.			trans	-66.5	133	-179.9	-56.4	177.5	0	0	0	109.4	I177 I180 I194 N197 L216 N219 G220 I221	I177-L199 HydrophobicContact CG2-CD2 4.33Å; I177-L199 PolarHBondContact O-N 2.88Å; I180-L199 HydrophobicContact CD1-CD1 4.01Å; I180-L199 HydrophobicContact CG1-CD1 3.98Å; I180-L199 HydrophobicContact CG1-CD2 3.91Å; I194-L199 HydrophobicContact CB-CD1 4.22Å; I194-L199 HydrophobicContact CG2-CD1 3.93Å; I194-L199 HydrophobicContact CG2-CG 4.46Å; N197-L199 HydrophobicContact CB-CG 4.45Å; L199-L216 HydrophobicContact CD1-CD2 3.64Å; L199-N219 HydrophobicContact CB-CB 4.09Å; L199-N219 WeakPolarHBondContact CB-OD1 3.35Å; L199-N219 WeakPolarHBondContact CG-OD1 3.42Å; L199-N219 PolarHBondContact N-OD1 3.02Å; L199-G220 CarbonylContact O-C 3.4Å; L199-G220 VanDerWaalsContact O-C 3.29Å; L199-G220 WeakPolarHBondContact O-CA 3.4Å; L199-G220 PolarHBondContact O-N 3.14Å; L199-I221 HydrophobicContact CB-CD1 4.47Å; L199-I221 HydrophobicContact CB-CG1 4.28Å; L199-I221 PolarHBondContact O-N 3.08Å
200	T	98.7	Very high	98.7	Very high	85 Å²	85	37.6 Å²	37.6	52%	0.521	21%	0.214	S	C	.	.			trans	-110.3	-10.8	172.3	59.5	0	0	0	0	112.9	R198 G220	R198-T200 PolarHBondContact O-N 2.71Å; T200-G220 WeakPolarHBondContact CA-O 3.47Å
201	K	98.8	Very high	98.7	Very high	110 Å²	110	35.9 Å²	35.9	48%	0.478	20%	0.204	S	C	.	.	S	Bend	trans	-145.7	158	-176.7	-68.6	-167.4	170.9	-151.3	0	110	E225	K201-E225 WeakPolarHBondContact CB-OE1 3.21Å; K201-E225 WeakPolarHBondContact CD-OE1 3.4Å; K201-E225 WeakPolarHBondContact CG-OE1 3.35Å
202	I	98.7	Very high	98.7	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.01	21%	0.214	C	C	.	.			trans	-104.7	108	172.9	-54	176.5	0	0	0	107.4	L205 L216 I221 E225 L227 L238	I202-L205 HydrophobicContact CG2-CD1 3.61Å; I202-L216 HydrophobicContact CD1-CD1 4.02Å; I202-L216 HydrophobicContact CG1-CD1 4.02Å; I202-L216 HydrophobicContact CG2-CD1 4.27Å; I202-I221 HydrophobicContact CD1-CD1 4.33Å; I202-I221 HydrophobicContact CD1-CG2 4.03Å; I202-I221 HydrophobicContact CG1-CD1 3.85Å; I202-I221 HydrophobicContact CG1-CG1 4.3Å; I202-I221 HydrophobicContact CG1-CG2 3.86Å; I202-E225 HydrophobicContact CB-CG 4.47Å; I202-E225 WeakPolarHBondContact CB-O 3.21Å; I202-E225 WeakPolarHBondContact CG2-O 3.2Å; I202-L227 HydrophobicContact CG2-CD2 3.77Å; I202-L227 HydrophobicContact CG2-CG 4.4Å; I202-L238 HydrophobicContact CD1-CD2 3.78Å
203	N	97.6	Very high	98.7	Very high	71 Å²	71	40.3 Å²	40.3	38%	0.38	22%	0.224	S	C	.	.			trans	-150.2	-179.6	178.3	59.9	9.1	0	0	0	109.6	I180 L205	I180-N203 VanDerWaalsContact CB-O 3.28Å; I180-N203 WeakPolarHBondContact CB-O 3.29Å; N203-L205 PolarHBondContact O-N 3.42Å; N203-L205 VanDerWaalsContact O-N 3.16Å
204	G	98.1	Very high	98.7	Very high	32 Å²	32	40.1 Å²	40.1	33%	0.33	22%	0.223	S	C	.	.	S	Bend	trans	68.8	12.7	177.2	0	0	0	0	0	115.3
205	L	98.7	Very high	98.7	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	23%	0.23	C	C	.	.			trans	-102.3	-4.3	-179.6	-60.8	175.5	0	0	0	113.5	I180 L192 I202 N203 S207 L208 L214 L227 L230	I180-L205 HydrophobicContact CD1-CD1 4.43Å; I180-L205 HydrophobicContact CD1-CD2 4.14Å; I180-L205 HydrophobicContact CD1-CG 4.34Å; I180-L205 HydrophobicContact CG2-CD2 3.87Å; I180-L205 HydrophobicContact CG2-CG 4.44Å; L192-L205 HydrophobicContact CD2-CD2 3.56Å; I202-L205 HydrophobicContact CG2-CD1 3.61Å; N203-L205 PolarHBondContact O-N 3.42Å; N203-L205 VanDerWaalsContact O-N 3.16Å; L205-S207 PolarHBondContact O-N 3.09Å; L205-S207 VanDerWaalsContact O-N 3.12Å; L205-L208 HydrophobicContact CD2-CD1 3.68Å; L205-L208 WeakPolarHBondContact O-CB 3.22Å; L205-L208 PolarHBondContact O-N 3.4Å; L205-L214 HydrophobicContact CD1-CD1 4.48Å; L205-L214 HydrophobicContact CD1-CD2 3.66Å; L205-L227 HydrophobicContact CD1-CD2 4.03Å; L205-L230 HydrophobicContact CB-CD1 4.22Å; L205-L230 HydrophobicContact CD1-CD1 4.08Å
206	A	98.4	Very high	98.7	Very high	62 Å²	62	39.4 Å²	39.4	51%	0.512	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-38.5	-168.8	0	0	0	0	0	113.3	T229	A206-T229 WeakPolarHBondContact O-CB 3.42Å; A206-T229 PolarHBondContact O-OG1 3.19Å
207	S	98.4	Very high	98.7	Very high	39 Å²	39	39.1 Å²	39.1	27%	0.273	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-15.6	-179.3	-51.1	0	0	0	0	113.6	D184 L205 V209	D184-S207 WeakPolarHBondContact O-CB 3.32Å; D184-S207 PolarHBondContact OD1-OG 2.91Å; L205-S207 PolarHBondContact O-N 3.09Å; L205-S207 VanDerWaalsContact O-N 3.12Å; S207-V209 PolarHBondContact O-N 3.01Å
208	L	98.6	Very high	98.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.231	C	C	.	.			trans	-84.3	49.8	-175.3	-52.2	-170.3	0	0	0	112.3	L183 L186 L189 L192 L205 N210 L211 L230	L183-L208 HydrophobicContact CB-CD1 4.42Å; L183-L208 HydrophobicContact CB-CD2 4.28Å; L183-L208 HydrophobicContact CD1-CD1 4.13Å; L183-L208 WeakPolarHBondContact O-CD2 3.48Å; L186-L208 HydrophobicContact CB-CD2 4.26Å; L186-L208 WeakPolarHBondContact O-CD2 3.14Å; L189-L208 HydrophobicContact CD1-CD1 4.14Å; L189-L208 HydrophobicContact CD1-CD2 4.17Å; L192-L208 HydrophobicContact CD2-CD1 3.93Å; L205-L208 HydrophobicContact CD2-CD1 3.68Å; L205-L208 WeakPolarHBondContact O-CB 3.22Å; L205-L208 PolarHBondContact O-N 3.4Å; L208-N210 PolarHBondContact O-N 3.44Å; L208-L211 HydrophobicContact CB-CB 4.36Å; L208-L211 VanDerWaalsContact O-CB 3.3Å; L208-L211 WeakPolarHBondContact O-CB 3.38Å; L208-L211 PolarHBondContact O-N 2.79Å; L208-L230 HydrophobicContact CB-CD2 4.42Å; L208-L230 WeakPolarHBondContact O-CD2 3.45Å
209	V	98.5	Very high	98.7	Very high	66 Å²	66	37.3 Å²	37.3	40%	0.4	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-14.4	-173.1	-60.7	0	0	0	0	114.5	S207	S207-V209 PolarHBondContact O-N 3.01Å
210	N	98.8	Very high	98.7	Very high	41 Å²	41	38.2 Å²	38.2	22%	0.219	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	1.3	177.2	-68.9	-49.4	0	0	0	114.2	T187 L189 L208 E212 K232	T187-N210 WeakPolarHBondContact O-CB 3.27Å; T187-N210 PolarHBondContact O-ND2 3.42Å; L189-N210 CarbonylContact O-C 3.39Å; L208-N210 PolarHBondContact O-N 3.44Å; N210-E212 PolarHBondContact O-N 3.34Å; N210-K232 PolarHBondContact OD1-NZ 2.66Å
211	L	98.9	Very high	98.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.194	C	C	.	.			trans	-66	127.4	-175	-157.5	72.2	0	0	0	111.9	L189 L192 L208 L214 L230 K232 L233	L189-L211 HydrophobicContact CB-CD1 4.18Å; L189-L211 WeakPolarHBondContact O-CA 3.35Å; L189-L211 PolarHBondContact O-N 3.42Å; L192-L211 HydrophobicContact CB-CD1 3.7Å; L192-L211 HydrophobicContact CB-CD2 4.25Å; L208-L211 HydrophobicContact CB-CB 4.36Å; L208-L211 VanDerWaalsContact O-CB 3.3Å; L208-L211 WeakPolarHBondContact O-CB 3.38Å; L208-L211 PolarHBondContact O-N 2.79Å; L211-L214 HydrophobicContact CD2-CB 3.9Å; L211-L214 HydrophobicContact CD2-CD1 4.03Å; L211-L214 HydrophobicContact CD2-CD2 4.23Å; L211-L214 HydrophobicContact CD2-CG 4.27Å; L211-L230 HydrophobicContact CB-CD2 4.28Å; L211-L230 HydrophobicContact CD2-CD1 4.18Å; L211-K232 CarbonylContact O-C 3.59Å; L211-L233 HydrophobicContact CD2-CD1 4.24Å; L211-L233 HydrophobicContact CG-CD1 4.22Å; L211-L233 WeakPolarHBondContact O-CA 3.35Å; L211-L233 PolarHBondContact O-N 3.02Å
212	E	98.9	Very high	98.7	Very high	65 Å²	65	32 Å²	32	30%	0.304	19%	0.191	S	C	.	.			trans	-110	-32.6	-179.3	-64.4	-179.7	175.5	0	0	111.5	T190 N210 Q234 I235	T190-E212 WeakPolarHBondContact O-CA 3.01Å; T190-E212 PolarHBondContact O-N 2.87Å; N210-E212 PolarHBondContact O-N 3.34Å; E212-Q234 PolarHBondContact O-N 2.79Å; E212-I235 PolarHBondContact O-N 3.37Å
213	Q	99	Very high	98.7	Very high	45 Å²	45	36.4 Å²	36.4	21%	0.21	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	125.7	-179.5	-50.3	-179.6	23.6	0	0	110.8	T190 I191 L192 Y215 I235	T190-Q213 PolarHBondContact O-N 3.3Å; I191-Q213 WeakPolarHBondContact CA-O 3.5Å; I191-Q213 HydrophobicContact CG1-CB 4.17Å; I191-Q213 HydrophobicContact CG1-CG 4.28Å; I191-Q213 HydrophobicContact CG2-CB 4.36Å; L192-Q213 PolarHBondContact N-O 3.36Å; Q213-Y215 HydrophobicContact CB-CD2 4.48Å; Q213-Y215 HydrophobicContact CB-CE2 3.67Å; Q213-Y215 PolarHBondContact OE1-OH 3.34Å; Q213-I235 HydrophobicContact CB-CB 4.27Å; Q213-I235 HydrophobicContact CG-CB 4.18Å; Q213-I235 HydrophobicContact CG-CD1 4.12Å; Q213-I235 HydrophobicContact CG-CG1 4.28Å
214	L	99	Very high	98.7	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	113	-179.1	179	56.2	0	0	0	110.1	L192 L205 L211 L216 L227 L230 L233 I235 L236 D237	L192-L214 HydrophobicContact CB-CD1 4.18Å; L192-L214 HydrophobicContact CD2-CD1 4.12Å; L192-L214 HydrophobicContact CG-CD1 4.26Å; L192-L214 WeakPolarHBondContact O-CA 3.43Å; L205-L214 HydrophobicContact CD1-CD1 4.48Å; L205-L214 HydrophobicContact CD1-CD2 3.66Å; L211-L214 HydrophobicContact CD2-CB 3.9Å; L211-L214 HydrophobicContact CD2-CD1 4.03Å; L211-L214 HydrophobicContact CD2-CD2 4.23Å; L211-L214 HydrophobicContact CD2-CG 4.27Å; L214-L216 HydrophobicContact CD1-CD1 3.97Å; L214-L216 HydrophobicContact CD1-CD2 3.94Å; L214-L216 HydrophobicContact CD1-CG 3.74Å; L214-L216 HydrophobicContact CD2-CD1 3.83Å; L214-L216 HydrophobicContact CD2-CG 4.43Å; L214-L216 HydrophobicContact CG-CD1 3.8Å; L214-L216 HydrophobicContact CG-CG 3.84Å; L214-L227 HydrophobicContact CD2-CD2 3.76Å; L214-L230 HydrophobicContact CD2-CD1 4.22Å; L214-L233 HydrophobicContact CB-CD1 3.69Å; L214-L233 HydrophobicContact CB-CD2 4.37Å; L214-I235 PolarHBondContact N-O 2.68Å; L214-L236 HydrophobicContact CB-CD1 4.2Å; L214-L236 HydrophobicContact CD2-CD1 3.97Å; L214-L236 HydrophobicContact CG-CD1 4.1Å; L214-D237 PolarHBondContact O-N 2.68Å
215	Y	99	Very high	98.8	Very high	41 Å²	41	33.8 Å²	33.8	16%	0.161	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	111.3	179.6	-54.4	-90.4	0	0	0	110.8	I191 L192 I194 Q195 Q213 I235 D237 W259	I191-Y215 HydrophobicContact CG2-CD2 4.48Å; I191-Y215 HydrophobicContact CG2-CE2 4.17Å; L192-Y215 PolarHBondContact O-N 3.32Å; I194-Y215 CarbonylContact C-O 3.4Å; I194-Y215 PolarHBondContact N-O 2.9Å; Q195-Y215 PolarHBondContact N-O 2.75Å; Q213-Y215 HydrophobicContact CB-CD2 4.48Å; Q213-Y215 HydrophobicContact CB-CE2 3.67Å; Q213-Y215 PolarHBondContact OE1-OH 3.34Å; Y215-I235 HydrophobicContact CE1-CG2 4.04Å; Y215-D237 HydrophobicContact CD1-CB 3.74Å; Y215-D237 HydrophobicContact CE1-CB 4.48Å; Y215-D237 HydrophobicContact CG-CB 4.48Å; Y215-W259 HydrophobicContact CD1-CZ3 4.48Å; Y215-W259 HydrophobicContact CE1-CH2 4.21Å; Y215-W259 HydrophobicContact CE1-CZ3 4.21Å
216	L	98.9	Very high	98.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.196	C	C	.	.			trans	-128.5	18.7	-175.3	-64.5	176	0	0	0	112.1	I180 I194 L199 I202 L214 N219 I221 D237 L238 N241	I180-L216 HydrophobicContact CD1-CD2 4.03Å; I194-L216 HydrophobicContact CB-CD2 4.2Å; L199-L216 HydrophobicContact CD1-CD2 3.64Å; I202-L216 HydrophobicContact CD1-CD1 4.02Å; I202-L216 HydrophobicContact CG1-CD1 4.02Å; I202-L216 HydrophobicContact CG2-CD1 4.27Å; L214-L216 HydrophobicContact CD1-CD1 3.97Å; L214-L216 HydrophobicContact CD1-CD2 3.94Å; L214-L216 HydrophobicContact CD1-CG 3.74Å; L214-L216 HydrophobicContact CD2-CD1 3.83Å; L214-L216 HydrophobicContact CD2-CG 4.43Å; L214-L216 HydrophobicContact CG-CD1 3.8Å; L214-L216 HydrophobicContact CG-CG 3.84Å; L216-N219 PolarHBondContact O-ND2 2.99Å; L216-I221 HydrophobicContact CB-CD1 3.93Å; L216-I221 HydrophobicContact CD1-CD1 4.22Å; L216-D237 CarbonylContact C-O 3.32Å; L216-D237 WeakPolarHBondContact CA-O 3.46Å; L216-D237 PolarHBondContact N-O 3.29Å; L216-L238 HydrophobicContact CB-CD2 3.92Å; L216-L238 HydrophobicContact CD1-CD2 4.06Å; L216-N241 PolarHBondContact O-ND2 3.05Å
217	S	98.9	Very high	98.7	Very high	11 Å²	11	31.6 Å²	31.6	8%	0.077	17%	0.172	C	C	.	.			trans	-62.3	161	179.3	44	0	0	0	0	113.5	Q195 G196 N219 D237 A239	Q195-S217 CarbonylContact C-O 3.42Å; Q195-S217 WeakPolarHBondContact CA-O 3.13Å; Q195-S217 WeakPolarHBondContact CB-O 3.4Å; Q195-S217 WeakPolarHBondContact CB-OG 3.36Å; G196-S217 PolarHBondContact N-O 2.93Å; S217-N219 VanDerWaalsContact C-N 3.35Å; S217-N219 PolarHBondContact O-N 2.84Å; S217-N219 PolarHBondContact O-ND2 2.86Å; S217-N219 VanDerWaalsContact O-ND2 3.09Å; S217-D237 WeakPolarHBondContact CB-OD1 3.35Å; S217-D237 WeakPolarHBondContact CB-OD2 3.31Å; S217-D237 PolarHBondContact N-O 3.29Å; S217-D237 PolarHBondContact OG-OD2 3.43Å; S217-A239 CarbonylContact C-O 3.38Å; S217-A239 WeakPolarHBondContact CA-O 3.49Å; S217-A239 WeakPolarHBondContact CB-O 3.27Å
218	E	98.9	Very high	98.7	Very high	100 Å²	100	34.5 Å²	34.5	47%	0.467	18%	0.181	S	C	.	.	S	Bend	trans	56	46.4	177.4	-59	175.9	-159.8	0	0	112.9	G196 N197 A239 Y240	G196-E218 WeakPolarHBondContact CA-O 3.43Å; G196-E218 PolarHBondContact N-O 3.41Å; N197-E218 PolarHBondContact N-O 2.82Å; E218-A239 PolarHBondContact N-O 3.18Å; E218-Y240 WeakPolarHBondContact CA-O 3.34Å; E218-Y240 HydrophobicContact CG-CD2 4.38Å; E218-Y240 HydrophobicContact CG-CG 4.29Å; E218-Y240 PolarHBondContact N-O 2.98Å
219	N	98.9	Very high	98.7	Very high	13 Å²	13	37 Å²	37	7%	0.07	20%	0.197	C	C	.	.	S	Bend	trans	-121.1	-166.8	174.5	-82.8	-76.4	0	0	0	110.1	I194 N197 R198 L199 L216 S217 I221 Y240 N241	I194-N219 PolarHBondContact O-ND2 3.17Å; N197-N219 VanDerWaalsContact CA-OD1 3.27Å; N197-N219 WeakPolarHBondContact CA-OD1 3.35Å; N197-N219 VanDerWaalsContact CB-OD1 3.25Å; N197-N219 WeakPolarHBondContact CB-OD1 3.41Å; N197-N219 PolarHBondContact N-OD1 2.81Å; N197-N219 PolarHBondContact O-OD1 2.75Å; R198-N219 PolarHBondContact N-OD1 3.33Å; L199-N219 HydrophobicContact CB-CB 4.09Å; L199-N219 WeakPolarHBondContact CB-OD1 3.35Å; L199-N219 WeakPolarHBondContact CG-OD1 3.42Å; L199-N219 PolarHBondContact N-OD1 3.02Å; L216-N219 PolarHBondContact O-ND2 2.99Å; S217-N219 VanDerWaalsContact C-N 3.35Å; S217-N219 PolarHBondContact O-N 2.84Å; S217-N219 PolarHBondContact O-ND2 2.86Å; S217-N219 VanDerWaalsContact O-ND2 3.09Å; N219-I221 HydrophobicContact CB-CD1 4.14Å; N219-I221 HydrophobicContact CB-CG1 4.17Å; N219-Y240 PolarHBondContact N-O 2.98Å; N219-N241 WeakPolarHBondContact CA-OD1 3.23Å; N219-N241 VanDerWaalsContact CB-OD1 3.22Å; N219-N241 WeakPolarHBondContact CB-OD1 3.15Å; N219-N241 PolarHBondContact N-OD1 2.95Å; N219-N241 PolarHBondContact O-OD1 2.79Å
220	G	98.7	Very high	98.7	Very high	18 Å²	18	33.9 Å²	33.9	19%	0.186	18%	0.178	C	C	.	.			trans	-110.7	27.7	176.5	0	0	0	0	0	113.9	L199 T200 N241	L199-G220 CarbonylContact O-C 3.4Å; L199-G220 VanDerWaalsContact O-C 3.29Å; L199-G220 WeakPolarHBondContact O-CA 3.4Å; L199-G220 PolarHBondContact O-N 3.14Å; T200-G220 WeakPolarHBondContact CA-O 3.47Å; G220-N241 PolarHBondContact N-OD1 3.24Å
221	I	98.9	Very high	98.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.185	C	C	.	.			trans	-71.5	131.9	-173.9	-62.4	162	0	0	0	110.3	L199 I202 L216 N219 E223 L238 N241 F242 I243	L199-I221 HydrophobicContact CB-CD1 4.47Å; L199-I221 HydrophobicContact CB-CG1 4.28Å; L199-I221 PolarHBondContact O-N 3.08Å; I202-I221 HydrophobicContact CD1-CD1 4.33Å; I202-I221 HydrophobicContact CD1-CG2 4.03Å; I202-I221 HydrophobicContact CG1-CD1 3.85Å; I202-I221 HydrophobicContact CG1-CG1 4.3Å; I202-I221 HydrophobicContact CG1-CG2 3.86Å; L216-I221 HydrophobicContact CB-CD1 3.93Å; L216-I221 HydrophobicContact CD1-CD1 4.22Å; N219-I221 HydrophobicContact CB-CD1 4.14Å; N219-I221 HydrophobicContact CB-CG1 4.17Å; I221-E223 VanDerWaalsContact CG2-O 3.23Å; I221-E223 WeakPolarHBondContact CG2-O 3.49Å; I221-L238 HydrophobicContact CD1-CD2 4.27Å; I221-N241 HydrophobicContact CB-CB 4.28Å; I221-N241 VanDerWaalsContact CB-OD1 3.32Å; I221-N241 WeakPolarHBondContact CB-OD1 3.15Å; I221-N241 PolarHBondContact N-OD1 2.95Å; I221-F242 CarbonylContact O-C 3.4Å; I221-F242 WeakPolarHBondContact O-CA 3.16Å; I221-F242 PolarHBondContact O-N 3.16Å; I221-I243 HydrophobicContact CG2-CD1 4.38Å; I221-I243 HydrophobicContact CG2-CG1 4.29Å; I221-I243 PolarHBondContact O-N 3.31Å
222	T	98.7	Very high	98.7	Very high	66 Å²	66	38.9 Å²	38.9	41%	0.405	20%	0.204	S	C	.	.			trans	-105.9	-22.2	-179.5	55.3	0	0	0	0	114	F242 I243	T222-F242 HydrophobicContact CG2-CB 4.08Å; T222-I243 WeakPolarHBondContact O-CA 3.38Å
223	E	98.7	Very high	98.7	Very high	93 Å²	93	35.8 Å²	35.8	44%	0.435	19%	0.19	S	C	.	.	S	Bend	trans	-139.5	146.2	-174	-65.4	-174.6	-149.7	0	0	110.9	I221 Q247	I221-E223 VanDerWaalsContact CG2-O 3.23Å; I221-E223 WeakPolarHBondContact CG2-O 3.49Å; E223-Q247 PolarHBondContact OE2-NE2 2.78Å
224	I	98.7	Very high	98.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.194	C	C	.	.			trans	-85.9	113.2	169.7	-54.4	179.8	0	0	0	107.1	L227 L238 I243 Q247 N248 M249 F258	I224-L227 HydrophobicContact CG2-CD1 3.68Å; I224-L238 HydrophobicContact CD1-CD1 3.99Å; I224-L238 HydrophobicContact CG1-CD1 3.87Å; I224-I243 HydrophobicContact CD1-CG2 4.28Å; I224-I243 HydrophobicContact CG1-CD1 3.97Å; I224-I243 HydrophobicContact CG1-CG2 4.04Å; I224-Q247 WeakPolarHBondContact CB-O 3.38Å; I224-Q247 VanDerWaalsContact CG2-O 3.32Å; I224-Q247 WeakPolarHBondContact CG2-O 3.46Å; I224-N248 PolarHBondContact O-ND2 3.32Å; I224-M249 HydrophobicContact CD1-SD 4.14Å; I224-M249 HydrophobicContact CG2-SD 3.79Å; I224-F258 HydrophobicContact CD1-CZ 3.99Å
225	E	98.3	Very high	98.7	Very high	49 Å²	49	37.7 Å²	37.7	23%	0.229	20%	0.199	C	C	.	.			trans	-152.9	168.3	-177.6	52.8	174.1	-174.2	0	0	109.8	K201 I202 L227	K201-E225 WeakPolarHBondContact CB-OE1 3.21Å; K201-E225 WeakPolarHBondContact CD-OE1 3.4Å; K201-E225 WeakPolarHBondContact CG-OE1 3.35Å; I202-E225 HydrophobicContact CB-CG 4.47Å; I202-E225 WeakPolarHBondContact CB-O 3.21Å; I202-E225 WeakPolarHBondContact CG2-O 3.2Å; E225-L227 VanDerWaalsContact C-N 3.25Å; E225-L227 PolarHBondContact O-N 3.32Å
226	G	98.2	Very high	98.7	Very high	17 Å²	17	35.7 Å²	35.7	18%	0.175	19%	0.191	C	C	.	.	S	Bend	trans	71.3	16.8	171.5	0	0	0	0	0	115.1	E228	G226-E228 WeakPolarHBondContact CA-OE2 3.31Å; G226-E228 PolarHBondContact N-OE1 2.91Å; G226-E228 PolarHBondContact N-OE2 3.32Å
227	L	98.6	Very high	98.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.194	C	C	.	.			trans	-106.4	8.4	179.9	-54.4	-179.7	0	0	0	112.7	I202 L205 L214 I224 E225 T229 L230 L236 L252	I202-L227 HydrophobicContact CG2-CD2 3.77Å; I202-L227 HydrophobicContact CG2-CG 4.4Å; L205-L227 HydrophobicContact CD1-CD2 4.03Å; L214-L227 HydrophobicContact CD2-CD2 3.76Å; I224-L227 HydrophobicContact CG2-CD1 3.68Å; E225-L227 VanDerWaalsContact C-N 3.25Å; E225-L227 PolarHBondContact O-N 3.32Å; L227-T229 PolarHBondContact O-N 2.99Å; L227-T229 VanDerWaalsContact O-N 3.16Å; L227-L230 HydrophobicContact CB-CD1 4.45Å; L227-L230 HydrophobicContact CD2-CD1 3.66Å; L227-L230 PolarHBondContact O-N 3.03Å; L227-L230 VanDerWaalsContact O-N 3.1Å; L227-L236 HydrophobicContact CD1-CD2 3.7Å; L227-L252 HydrophobicContact CB-CD2 4.25Å; L227-L252 HydrophobicContact CD1-CD1 4.09Å
228	E	97.9	Very high	98.7	Very high	100 Å²	100	35.7 Å²	35.7	47%	0.467	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-30.1	-165.9	-61.6	76.9	-169.1	0	0	113.2	G226 N251	G226-E228 WeakPolarHBondContact CA-OE2 3.31Å; G226-E228 PolarHBondContact N-OE1 2.91Å; G226-E228 PolarHBondContact N-OE2 3.32Å; E228-N251 PolarHBondContact O-ND2 3.02Å
229	T	98.3	Very high	98.7	Very high	53 Å²	53	31.2 Å²	31.2	33%	0.325	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-11	-178.5	63.1	0	0	0	0	113.6	A206 L227 S231	A206-T229 WeakPolarHBondContact O-CB 3.42Å; A206-T229 PolarHBondContact O-OG1 3.19Å; L227-T229 PolarHBondContact O-N 2.99Å; L227-T229 VanDerWaalsContact O-N 3.16Å; T229-S231 PolarHBondContact O-N 2.98Å
230	L	98.5	Very high	98.7	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.188	C	C	.	.			trans	-85.7	49.4	-169.1	-52.2	-172.5	0	0	0	112.8	L205 L208 L211 L214 L227 K232 L233 L252	L205-L230 HydrophobicContact CB-CD1 4.22Å; L205-L230 HydrophobicContact CD1-CD1 4.08Å; L208-L230 HydrophobicContact CB-CD2 4.42Å; L208-L230 WeakPolarHBondContact O-CD2 3.45Å; L211-L230 HydrophobicContact CB-CD2 4.28Å; L211-L230 HydrophobicContact CD2-CD1 4.18Å; L214-L230 HydrophobicContact CD2-CD1 4.22Å; L227-L230 HydrophobicContact CB-CD1 4.45Å; L227-L230 HydrophobicContact CD2-CD1 3.66Å; L227-L230 PolarHBondContact O-N 3.03Å; L227-L230 VanDerWaalsContact O-N 3.1Å; L230-K232 PolarHBondContact O-N 2.93Å; L230-K232 VanDerWaalsContact O-N 3.11Å; L230-L233 HydrophobicContact CB-CB 4.29Å; L230-L233 VanDerWaalsContact O-CB 3.26Å; L230-L233 WeakPolarHBondContact O-CB 3.14Å; L230-L233 PolarHBondContact O-N 2.82Å; L230-L252 HydrophobicContact CB-CD2 4.29Å; L230-L252 WeakPolarHBondContact O-CD2 3.33Å
231	S	98.1	Very high	98.7	Very high	55 Å²	55	35.2 Å²	35.2	39%	0.385	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-17.9	-176.4	63.8	0	0	0	0	114.5	T229 N254	T229-S231 PolarHBondContact O-N 2.98Å; S231-N254 PolarHBondContact O-ND2 2.81Å
232	K	98.8	Very high	98.7	Very high	90 Å²	90	40.5 Å²	40.5	39%	0.391	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-6.4	176.6	-66.2	-167.8	-174	176.3	0	114	N210 L211 L230 Q234	N210-K232 PolarHBondContact OD1-NZ 2.66Å; L211-K232 CarbonylContact O-C 3.59Å; L230-K232 PolarHBondContact O-N 2.93Å; L230-K232 VanDerWaalsContact O-N 3.11Å; K232-Q234 PolarHBondContact O-N 2.99Å
233	L	98.9	Very high	98.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.184	C	C	.	.			trans	-61.6	124.1	-175.8	-159.6	72.3	0	0	0	110.9	L211 L214 L230 L236 L252 N254 L255	L211-L233 HydrophobicContact CD2-CD1 4.24Å; L211-L233 HydrophobicContact CG-CD1 4.22Å; L211-L233 WeakPolarHBondContact O-CA 3.35Å; L211-L233 PolarHBondContact O-N 3.02Å; L214-L233 HydrophobicContact CB-CD1 3.69Å; L214-L233 HydrophobicContact CB-CD2 4.37Å; L230-L233 HydrophobicContact CB-CB 4.29Å; L230-L233 VanDerWaalsContact O-CB 3.26Å; L230-L233 WeakPolarHBondContact O-CB 3.14Å; L230-L233 PolarHBondContact O-N 2.82Å; L233-L236 HydrophobicContact CD2-CB 3.89Å; L233-L236 HydrophobicContact CD2-CD1 4.18Å; L233-L236 HydrophobicContact CD2-CD2 4.35Å; L233-L236 HydrophobicContact CD2-CG 4.36Å; L233-L252 HydrophobicContact CB-CD2 4.29Å; L233-L252 HydrophobicContact CD2-CD1 4.41Å; L233-L252 HydrophobicContact CD2-CD2 4.33Å; L233-N254 CarbonylContact O-C 3.6Å; L233-L255 HydrophobicContact CB-CD1 4.44Å; L233-L255 HydrophobicContact CD2-CD1 4.18Å; L233-L255 HydrophobicContact CG-CD1 4.13Å; L233-L255 VanDerWaalsContact O-CA 3.26Å; L233-L255 WeakPolarHBondContact O-CA 3.16Å; L233-L255 PolarHBondContact O-N 3.26Å; L233-L255 VanDerWaalsContact O-N 3.12Å
234	Q	98.9	Very high	98.6	Very high	63 Å²	63	35.4 Å²	35.4	29%	0.294	18%	0.181	S	C	.	.			trans	-105.6	-37.1	178.8	-65.6	173.3	2.4	0	0	111.2	E212 K232 E256 E257	E212-Q234 PolarHBondContact O-N 2.79Å; K232-Q234 PolarHBondContact O-N 2.99Å; Q234-E256 PolarHBondContact O-N 3.24Å; Q234-E257 PolarHBondContact O-N 2.93Å
235	I	98.9	Very high	98.6	Very high	22 Å²	22	38.8 Å²	38.8	11%	0.113	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	125.8	179.4	-56.4	-179	0	0	0	109.4	E212 Q213 L214 Y215 E257	E212-I235 PolarHBondContact O-N 3.37Å; Q213-I235 HydrophobicContact CB-CB 4.27Å; Q213-I235 HydrophobicContact CG-CB 4.18Å; Q213-I235 HydrophobicContact CG-CD1 4.12Å; Q213-I235 HydrophobicContact CG-CG1 4.28Å; L214-I235 PolarHBondContact N-O 2.68Å; Y215-I235 HydrophobicContact CE1-CG2 4.04Å; I235-E257 HydrophobicContact CG1-CB 4.18Å; I235-E257 HydrophobicContact CG1-CG 4.21Å; I235-E257 HydrophobicContact CG2-CB 4.4Å
236	L	98.9	Very high	98.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	109.9	171.6	178.1	57.1	0	0	0	109.9	L214 L227 L233 L238 M249 L252 L255 E257 F258 W259	L214-L236 HydrophobicContact CB-CD1 4.2Å; L214-L236 HydrophobicContact CD2-CD1 3.97Å; L214-L236 HydrophobicContact CG-CD1 4.1Å; L227-L236 HydrophobicContact CD1-CD2 3.7Å; L233-L236 HydrophobicContact CD2-CB 3.89Å; L233-L236 HydrophobicContact CD2-CD1 4.18Å; L233-L236 HydrophobicContact CD2-CD2 4.35Å; L233-L236 HydrophobicContact CD2-CG 4.36Å; L236-L238 HydrophobicContact CD1-CD1 4.32Å; L236-L238 HydrophobicContact CD1-CD2 4.27Å; L236-L238 HydrophobicContact CD1-CG 3.99Å; L236-L238 HydrophobicContact CD2-CD1 4Å; L236-L238 HydrophobicContact CD2-CG 4.48Å; L236-L238 HydrophobicContact CG-CD1 4.09Å; L236-L238 HydrophobicContact CG-CG 4.02Å; L236-M249 HydrophobicContact CD2-CE 3.99Å; L236-M249 HydrophobicContact CD2-SD 4.18Å; L236-L252 HydrophobicContact CD2-CD1 4.13Å; L236-L255 HydrophobicContact CB-CD1 3.76Å; L236-L255 HydrophobicContact CB-CD2 4.43Å; L236-E257 PolarHBondContact N-O 3.49Å; L236-F258 HydrophobicContact CB-CD2 4.19Å; L236-F258 HydrophobicContact CD2-CD2 4.11Å; L236-F258 HydrophobicContact CD2-CE2 3.94Å; L236-F258 HydrophobicContact CG-CD2 4.15Å; L236-F258 HydrophobicContact CG-CE2 4.2Å; L236-W259 PolarHBondContact O-N 2.75Å
237	D	98.9	Very high	98.5	Very high	10 Å²	10	38.6 Å²	38.6	5%	0.053	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	112.9	174.6	174.1	24.4	0	0	0	111.2	L214 Y215 L216 S217 A239 W259	L214-D237 PolarHBondContact O-N 2.68Å; Y215-D237 HydrophobicContact CD1-CB 3.74Å; Y215-D237 HydrophobicContact CE1-CB 4.48Å; Y215-D237 HydrophobicContact CG-CB 4.48Å; L216-D237 CarbonylContact C-O 3.32Å; L216-D237 WeakPolarHBondContact CA-O 3.46Å; L216-D237 PolarHBondContact N-O 3.29Å; S217-D237 WeakPolarHBondContact CB-OD1 3.35Å; S217-D237 WeakPolarHBondContact CB-OD2 3.31Å; S217-D237 PolarHBondContact N-O 3.29Å; S217-D237 PolarHBondContact OG-OD2 3.43Å; D237-A239 VanDerWaalsContact OD1-CB 3.23Å; D237-A239 WeakPolarHBondContact OD1-CB 3.45Å; D237-A239 PolarHBondContact OD1-N 2.96Å; D237-W259 HydrophobicContact CB-CB 4.28Å; D237-W259 HydrophobicContact CB-CD2 4.16Å; D237-W259 HydrophobicContact CB-CE3 3.66Å; D237-W259 HydrophobicContact CB-CG 4.46Å; D237-W259 HydrophobicContact CB-CZ3 4.3Å; D237-W259 VanDerWaalsContact CG-CE3 3.48Å
238	L	98.9	Very high	98.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.21	C	C	.	.			trans	-120.4	18.9	175.2	-65.8	174.1	0	0	0	111.5	I202 L216 I221 I224 L236 N241 I243 F258 W259 N263	I202-L238 HydrophobicContact CD1-CD2 3.78Å; L216-L238 HydrophobicContact CB-CD2 3.92Å; L216-L238 HydrophobicContact CD1-CD2 4.06Å; I221-L238 HydrophobicContact CD1-CD2 4.27Å; I224-L238 HydrophobicContact CD1-CD1 3.99Å; I224-L238 HydrophobicContact CG1-CD1 3.87Å; L236-L238 HydrophobicContact CD1-CD1 4.32Å; L236-L238 HydrophobicContact CD1-CD2 4.27Å; L236-L238 HydrophobicContact CD1-CG 3.99Å; L236-L238 HydrophobicContact CD2-CD1 4Å; L236-L238 HydrophobicContact CD2-CG 4.48Å; L236-L238 HydrophobicContact CG-CD1 4.09Å; L236-L238 HydrophobicContact CG-CG 4.02Å; L238-N241 PolarHBondContact O-ND2 3.23Å; L238-I243 HydrophobicContact CB-CD1 3.76Å; L238-I243 HydrophobicContact CD1-CD1 3.58Å; L238-I243 HydrophobicContact CD2-CD1 4.27Å; L238-I243 HydrophobicContact CG-CD1 4.09Å; L238-F258 HydrophobicContact CD1-CE2 3.93Å; L238-F258 HydrophobicContact CD1-CZ 4.48Å; L238-W259 CarbonylContact C-O 3.5Å; L238-W259 WeakPolarHBondContact CA-O 3.49Å; L238-W259 PolarHBondContact N-O 3.19Å; L238-N263 PolarHBondContact O-ND2 2.74Å
239	A	98.9	Very high	98.3	Very high	6 Å²	6	37.8 Å²	37.8	5%	0.05	19%	0.189	C	C	.	.			trans	-57.2	150.3	-179.5	0	0	0	0	0	112.2	S217 E218 D237 N241 W259 N261	S217-A239 CarbonylContact C-O 3.38Å; S217-A239 WeakPolarHBondContact CA-O 3.49Å; S217-A239 WeakPolarHBondContact CB-O 3.27Å; E218-A239 PolarHBondContact N-O 3.18Å; D237-A239 VanDerWaalsContact OD1-CB 3.23Å; D237-A239 WeakPolarHBondContact OD1-CB 3.45Å; D237-A239 PolarHBondContact OD1-N 2.96Å; A239-N241 PolarHBondContact O-N 2.96Å; A239-N241 PolarHBondContact O-ND2 2.94Å; A239-W259 PolarHBondContact N-O 2.88Å; A239-N261 CarbonylContact C-O 3.48Å; A239-N261 VanDerWaalsContact CA-O 3.26Å; A239-N261 WeakPolarHBondContact CA-O 3.46Å; A239-N261 WeakPolarHBondContact CB-OD1 3.26Å
240	Y	98.8	Very high	98.1	Very high	114 Å²	114	38.6 Å²	38.6	45%	0.447	20%	0.198	S	C	.	.	S	Bend	trans	55.5	54.2	177.6	-63.2	-87	0	0	0	113.6	E218 N219 N261 D262	E218-Y240 WeakPolarHBondContact CA-O 3.34Å; E218-Y240 HydrophobicContact CG-CD2 4.38Å; E218-Y240 HydrophobicContact CG-CG 4.29Å; E218-Y240 PolarHBondContact N-O 2.98Å; N219-Y240 PolarHBondContact N-O 2.98Å; Y240-N261 PolarHBondContact N-O 3.18Å; Y240-D262 HydrophobicContact CD1-CB 3.46Å; Y240-D262 VanDerWaalsContact CD1-CB 3.46Å; Y240-D262 HydrophobicContact CD2-CB 4.15Å; Y240-D262 HydrophobicContact CE1-CB 3.7Å; Y240-D262 WeakPolarHBondContact CE1-OD1 3.19Å; Y240-D262 HydrophobicContact CE2-CB 4.35Å; Y240-D262 WeakPolarHBondContact CE2-OD2 3.42Å; Y240-D262 HydrophobicContact CG-CB 3.7Å; Y240-D262 VanDerWaalsContact CZ-CG 3.44Å; Y240-D262 VanDerWaalsContact CZ-OD2 3.23Å
241	N	98.9	Very high	97.9	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.011	22%	0.217	C	C	.	.	S	Bend	trans	-126.7	-163.1	172.8	-83	-75	0	0	0	109.9	L216 N219 G220 I221 L238 A239 I243 D262 N263	L216-N241 PolarHBondContact O-ND2 3.05Å; N219-N241 WeakPolarHBondContact CA-OD1 3.23Å; N219-N241 VanDerWaalsContact CB-OD1 3.22Å; N219-N241 WeakPolarHBondContact CB-OD1 3.15Å; N219-N241 PolarHBondContact N-OD1 2.95Å; N219-N241 PolarHBondContact O-OD1 2.79Å; G220-N241 PolarHBondContact N-OD1 3.24Å; I221-N241 HydrophobicContact CB-CB 4.28Å; I221-N241 VanDerWaalsContact CB-OD1 3.32Å; I221-N241 WeakPolarHBondContact CB-OD1 3.15Å; I221-N241 PolarHBondContact N-OD1 2.95Å; L238-N241 PolarHBondContact O-ND2 3.23Å; A239-N241 PolarHBondContact O-N 2.96Å; A239-N241 PolarHBondContact O-ND2 2.94Å; N241-I243 HydrophobicContact CB-CD1 4.42Å; N241-I243 HydrophobicContact CB-CG1 4.32Å; N241-D262 PolarHBondContact N-O 2.97Å; N241-N263 WeakPolarHBondContact CA-OD1 3.46Å; N241-N263 WeakPolarHBondContact CB-OD1 3.34Å; N241-N263 PolarHBondContact O-OD1 3.18Å
242	F	98.8	Very high	97.9	Very high	111 Å²	111	39.7 Å²	39.7	49%	0.487	20%	0.199	S	C	.	.			trans	-117.8	26.8	-179.4	-57.6	-66.8	0	0	0	113	I221 T222 S244 N263	I221-F242 CarbonylContact O-C 3.4Å; I221-F242 WeakPolarHBondContact O-CA 3.16Å; I221-F242 PolarHBondContact O-N 3.16Å; T222-F242 HydrophobicContact CG2-CB 4.08Å; F242-S244 PolarHBondContact O-N 3.05Å; F242-N263 PolarHBondContact N-OD1 2.87Å
243	I	98.9	Very high	97.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.204	C	C	.	.			trans	-71.5	122.8	-175.3	-59.7	168.1	0	0	0	110.3	I221 T222 I224 L238 N241 Q245 N263 K264 I265	I221-I243 HydrophobicContact CG2-CD1 4.38Å; I221-I243 HydrophobicContact CG2-CG1 4.29Å; I221-I243 PolarHBondContact O-N 3.31Å; T222-I243 WeakPolarHBondContact O-CA 3.38Å; I224-I243 HydrophobicContact CD1-CG2 4.28Å; I224-I243 HydrophobicContact CG1-CD1 3.97Å; I224-I243 HydrophobicContact CG1-CG2 4.04Å; L238-I243 HydrophobicContact CB-CD1 3.76Å; L238-I243 HydrophobicContact CD1-CD1 3.58Å; L238-I243 HydrophobicContact CD2-CD1 4.27Å; L238-I243 HydrophobicContact CG-CD1 4.09Å; N241-I243 HydrophobicContact CB-CD1 4.42Å; N241-I243 HydrophobicContact CB-CG1 4.32Å; I243-Q245 VanDerWaalsContact CG2-O 3.3Å; I243-Q245 WeakPolarHBondContact CG2-O 3.37Å; I243-N263 HydrophobicContact CB-CB 4.3Å; I243-N263 VanDerWaalsContact CB-OD1 3.31Å; I243-N263 WeakPolarHBondContact CB-OD1 3.38Å; I243-N263 PolarHBondContact N-OD1 2.95Å; I243-N263 WeakPolarHBondContact O-CB 3.42Å; I243-K264 CarbonylContact O-C 3.55Å; I243-K264 VanDerWaalsContact O-CA 3.31Å; I243-K264 WeakPolarHBondContact O-CA 3.41Å; I243-K264 PolarHBondContact O-N 2.97Å; I243-I265 PolarHBondContact O-N 2.93Å
244	S	98.4	Very high	97.9	Very high	52 Å²	52	41.4 Å²	41.4	36%	0.364	22%	0.215	S	C	.	.			trans	-104.4	-18.8	179	68.2	0	0	0	0	114	F242	F242-S244 PolarHBondContact O-N 3.05Å
245	Q	98.4	Very high	97.9	Very high	71 Å²	71	38.4 Å²	38.4	33%	0.332	20%	0.201	S	C	.	.			trans	-135.1	132.7	-174	-62.8	-67.6	-49.7	0	0	109.7	I243 Q270	I243-Q245 VanDerWaalsContact CG2-O 3.3Å; I243-Q245 WeakPolarHBondContact CG2-O 3.37Å; Q245-Q270 VanDerWaalsContact OE1-OE1 3.13Å
246	I	98.1	Very high	97.8	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.204	C	C	.	.			trans	-82.7	126.3	169	-61.9	177.5	0	0	0	106.6	M249 F258 I265 Q270 K273 L274	I246-M249 HydrophobicContact CG2-CG 3.95Å; I246-F258 HydrophobicContact CD1-CE1 4.31Å; I246-I265 HydrophobicContact CD1-CD1 3.95Å; I246-I265 HydrophobicContact CG1-CD1 3.8Å; I246-Q270 HydrophobicContact CB-CB 4.35Å; I246-Q270 HydrophobicContact CD1-CB 4.09Å; I246-Q270 HydrophobicContact CG1-CB 4.17Å; I246-Q270 PolarHBondContact O-OE1 2.9Å; I246-K273 HydrophobicContact CB-CD 4.35Å; I246-K273 HydrophobicContact CG2-CB 4.13Å; I246-K273 WeakPolarHBondContact O-CD 3.35Å; I246-K273 WeakPolarHBondContact O-CE 3.46Å; I246-K273 PolarHBondContact O-NZ 3.33Å; I246-L274 HydrophobicContact CD1-CD1 3.92Å; I246-L274 HydrophobicContact CD1-CD2 4.25Å; I246-L274 HydrophobicContact CD1-CG 4Å; I246-L274 HydrophobicContact CG2-CD2 3.82Å; I246-L274 HydrophobicContact CG2-CG 4.33Å
247	Q	96.3	Very high	97.8	Very high	61 Å²	61	40.6 Å²	40.6	29%	0.285	21%	0.211	S	C	.	.			trans	-158.5	168.2	179	61	-172.1	34.3	0	0	109.8	E223 I224 M249	E223-Q247 PolarHBondContact OE2-NE2 2.78Å; I224-Q247 WeakPolarHBondContact CB-O 3.38Å; I224-Q247 VanDerWaalsContact CG2-O 3.32Å; I224-Q247 WeakPolarHBondContact CG2-O 3.46Å; Q247-M249 WeakPolarHBondContact O-CG 3.13Å; Q247-M249 PolarHBondContact O-N 2.7Å; Q247-M249 VanDerWaalsContact O-N 3.14Å
248	N	96.2	Very high	97.8	Very high	77 Å²	77	40.1 Å²	40.1	41%	0.412	21%	0.209	S	C	.	.	S	Bend	trans	58.9	27.1	175.1	-55.5	-33.3	0	0	0	115.1	I224	I224-N248 PolarHBondContact O-ND2 3.32Å
249	M	95.4	Very high	97.8	Very high	6 Å²	6	43.3 Å²	43.3	3%	0.03	22%	0.22	C	C	.	.			trans	-96.5	-8.9	-179.1	-60.7	-65.7	-77.3	0	0	113.7	I224 L236 I246 Q247 N251 L252 L255 F258 L277	I224-M249 HydrophobicContact CD1-SD 4.14Å; I224-M249 HydrophobicContact CG2-SD 3.79Å; L236-M249 HydrophobicContact CD2-CE 3.99Å; L236-M249 HydrophobicContact CD2-SD 4.18Å; I246-M249 HydrophobicContact CG2-CG 3.95Å; Q247-M249 WeakPolarHBondContact O-CG 3.13Å; Q247-M249 PolarHBondContact O-N 2.7Å; Q247-M249 VanDerWaalsContact O-N 3.14Å; M249-N251 PolarHBondContact O-N 3.39Å; M249-N251 VanDerWaalsContact O-N 3.11Å; M249-L252 HydrophobicContact CE-CD1 3.66Å; M249-L252 WeakPolarHBondContact O-CB 3.24Å; M249-L252 PolarHBondContact O-N 3.05Å; M249-L252 HydrophobicContact SD-CD1 3.61Å; M249-L255 HydrophobicContact CE-CD2 3.54Å; M249-F258 HydrophobicContact CE-CD2 3.98Å; M249-F258 HydrophobicContact CE-CE1 4.49Å; M249-F258 HydrophobicContact CE-CE2 3.91Å; M249-F258 HydrophobicContact CE-CG 4.31Å; M249-F258 HydrophobicContact CE-CZ 4.17Å; M249-L277 HydrophobicContact CB-CD2 4.49Å; M249-L277 HydrophobicContact CE-CD1 4.08Å; M249-L277 WeakPolarHBondContact O-CD2 3.12Å
250	S	93.5	Very high	97.8	Very high	71 Å²	71	43 Å²	43	50%	0.497	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-28.6	-168.1	54.7	0	0	0	0	114.6
251	N	95.9	Very high	97.8	Very high	77 Å²	77	38.2 Å²	38.2	41%	0.412	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-12.3	-178.4	-63.8	-3.8	0	0	0	112.9	E228 M249 V253	E228-N251 PolarHBondContact O-ND2 3.02Å; M249-N251 PolarHBondContact O-N 3.39Å; M249-N251 VanDerWaalsContact O-N 3.11Å; N251-V253 PolarHBondContact O-N 3.42Å
252	L	98.1	Very high	97.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.207	C	C	.	.			trans	-80.8	51.1	-178	-51.4	-177.2	0	0	0	111.1	L227 L230 L233 L236 M249 N254 L255 L277	L227-L252 HydrophobicContact CB-CD2 4.25Å; L227-L252 HydrophobicContact CD1-CD1 4.09Å; L230-L252 HydrophobicContact CB-CD2 4.29Å; L230-L252 WeakPolarHBondContact O-CD2 3.33Å; L233-L252 HydrophobicContact CB-CD2 4.29Å; L233-L252 HydrophobicContact CD2-CD1 4.41Å; L233-L252 HydrophobicContact CD2-CD2 4.33Å; L236-L252 HydrophobicContact CD2-CD1 4.13Å; M249-L252 HydrophobicContact CE-CD1 3.66Å; M249-L252 WeakPolarHBondContact O-CB 3.24Å; M249-L252 PolarHBondContact O-N 3.05Å; M249-L252 HydrophobicContact SD-CD1 3.61Å; L252-N254 PolarHBondContact O-N 3.39Å; L252-N254 VanDerWaalsContact O-N 3.07Å; L252-L255 HydrophobicContact CB-CB 4.04Å; L252-L255 HydrophobicContact CD1-CD2 4.31Å; L252-L255 VanDerWaalsContact O-CB 3.29Å; L252-L255 WeakPolarHBondContact O-CB 3.21Å; L252-L255 PolarHBondContact O-N 2.78Å; L252-L277 HydrophobicContact CB-CD2 4.23Å; L252-L277 WeakPolarHBondContact O-CD2 3.2Å
253	V	97.3	Very high	97.8	Very high	82 Å²	82	34.2 Å²	34.2	50%	0.497	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-17.8	-172.9	-62.5	0	0	0	0	113.6	N251	N251-V253 PolarHBondContact O-N 3.42Å
254	N	98.7	Very high	97.8	Very high	45 Å²	45	39.2 Å²	39.2	24%	0.241	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	3.7	176.3	-68.9	-56.5	0	0	0	113.9	S231 L233 L252 E256 K279	S231-N254 PolarHBondContact O-ND2 2.81Å; L233-N254 CarbonylContact O-C 3.6Å; L252-N254 PolarHBondContact O-N 3.39Å; L252-N254 VanDerWaalsContact O-N 3.07Å; N254-E256 PolarHBondContact O-N 2.99Å; N254-K279 WeakPolarHBondContact OD1-CE 3.25Å; N254-K279 PolarHBondContact OD1-NZ 3.39Å
255	L	98.8	Very high	97.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.188	C	C	.	.			trans	-67.7	122.4	-176.8	-159.8	74.1	0	0	0	110.7	L233 L236 M249 L252 F258 L277 K279 L280	L233-L255 HydrophobicContact CB-CD1 4.44Å; L233-L255 HydrophobicContact CD2-CD1 4.18Å; L233-L255 HydrophobicContact CG-CD1 4.13Å; L233-L255 VanDerWaalsContact O-CA 3.26Å; L233-L255 WeakPolarHBondContact O-CA 3.16Å; L233-L255 PolarHBondContact O-N 3.26Å; L233-L255 VanDerWaalsContact O-N 3.12Å; L236-L255 HydrophobicContact CB-CD1 3.76Å; L236-L255 HydrophobicContact CB-CD2 4.43Å; M249-L255 HydrophobicContact CE-CD2 3.54Å; L252-L255 HydrophobicContact CB-CB 4.04Å; L252-L255 HydrophobicContact CD1-CD2 4.31Å; L252-L255 VanDerWaalsContact O-CB 3.29Å; L252-L255 WeakPolarHBondContact O-CB 3.21Å; L252-L255 PolarHBondContact O-N 2.78Å; L255-F258 HydrophobicContact CD2-CB 3.97Å; L255-F258 HydrophobicContact CD2-CD2 4.37Å; L255-F258 HydrophobicContact CD2-CG 4.36Å; L255-L277 HydrophobicContact CD2-CD1 3.97Å; L255-K279 CarbonylContact O-C 3.6Å; L255-K279 VanDerWaalsContact O-C 3.25Å; L255-L280 WeakPolarHBondContact O-CA 3.4Å; L255-L280 PolarHBondContact O-N 3.4Å; L255-L280 VanDerWaalsContact O-N 3.14Å
256	E	98.6	Very high	97.7	Very high	34 Å²	34	36.9 Å²	36.9	16%	0.159	20%	0.197	C	C	.	.			trans	-106.4	-34.2	-178.5	-69.5	176.3	178.4	0	0	110.8	Q234 N254 K279 R281 T282	Q234-E256 PolarHBondContact O-N 3.24Å; N254-E256 PolarHBondContact O-N 2.99Å; E256-K279 HydrophobicContact CG-CB 4.14Å; E256-R281 HydrophobicContact CB-CG 4.25Å; E256-R281 VanDerWaalsContact O-CG 3.27Å; E256-R281 WeakPolarHBondContact O-CG 3.22Å; E256-R281 PolarHBondContact O-N 3.38Å; E256-R281 IonicContact OE1-NH1 2.67Å; E256-R281 IonicContact OE2-CZ 3.73Å; E256-R281 IonicContact OE2-NH1 2.7Å; E256-R281 PolarHBondContact OE2-NH1 2.75Å; E256-R281 IonicContact OE2-NH2 2.99Å; E256-R281 PolarHBondContact OE2-NH2 3.24Å; E256-T282 PolarHBondContact O-N 3.15Å
257	E	98.8	Very high	97.6	Very high	34 Å²	34	39.6 Å²	39.6	16%	0.159	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	127.6	-178.9	-45.3	-158.2	-174.5	0	0	111.9	Q234 I235 L236 W259 R281 T282	Q234-E257 PolarHBondContact O-N 2.93Å; I235-E257 HydrophobicContact CG1-CB 4.18Å; I235-E257 HydrophobicContact CG1-CG 4.21Å; I235-E257 HydrophobicContact CG2-CB 4.4Å; L236-E257 PolarHBondContact N-O 3.49Å; E257-W259 PolarHBondContact OE2-NE1 2.75Å; E257-R281 IonicContact OE1-NH2 3.89Å; E257-T282 WeakPolarHBondContact CA-O 3.23Å; E257-T282 HydrophobicContact CB-CG2 4.48Å; E257-T282 HydrophobicContact CG-CG2 4.44Å
258	F	98.8	Very high	97.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	113.3	177.1	-177.6	-133.6	0	0	0	110.4	I224 L236 L238 I246 M249 L255 C260 L274 L280 T282 L283 Y284	I224-F258 HydrophobicContact CD1-CZ 3.99Å; L236-F258 HydrophobicContact CB-CD2 4.19Å; L236-F258 HydrophobicContact CD2-CD2 4.11Å; L236-F258 HydrophobicContact CD2-CE2 3.94Å; L236-F258 HydrophobicContact CG-CD2 4.15Å; L236-F258 HydrophobicContact CG-CE2 4.2Å; L238-F258 HydrophobicContact CD1-CE2 3.93Å; L238-F258 HydrophobicContact CD1-CZ 4.48Å; I246-F258 HydrophobicContact CD1-CE1 4.31Å; M249-F258 HydrophobicContact CE-CD2 3.98Å; M249-F258 HydrophobicContact CE-CE1 4.49Å; M249-F258 HydrophobicContact CE-CE2 3.91Å; M249-F258 HydrophobicContact CE-CG 4.31Å; M249-F258 HydrophobicContact CE-CZ 4.17Å; L255-F258 HydrophobicContact CD2-CB 3.97Å; L255-F258 HydrophobicContact CD2-CD2 4.37Å; L255-F258 HydrophobicContact CD2-CG 4.36Å; F258-C260 HydrophobicContact CD1-CB 4.26Å; F258-C260 HydrophobicContact CE1-CB 3.65Å; F258-C260 HydrophobicContact CE2-CB 4.12Å; F258-C260 HydrophobicContact CZ-CB 3.58Å; F258-L274 HydrophobicContact CD1-CD1 4.1Å; F258-L274 HydrophobicContact CD1-CD2 3.87Å; F258-L274 HydrophobicContact CE1-CD1 4.33Å; F258-L274 HydrophobicContact CE1-CD2 3.94Å; F258-L280 HydrophobicContact CB-CD1 3.75Å; F258-T282 PolarHBondContact N-O 3.42Å; F258-L283 HydrophobicContact CB-CD1 4.23Å; F258-L283 HydrophobicContact CD1-CD1 3.75Å; F258-L283 HydrophobicContact CG-CD1 4.4Å; F258-L283 WeakPolarHBondContact O-CA 3.48Å; F258-L283 WeakPolarHBondContact O-CD1 3.5Å; F258-Y284 PolarHBondContact O-N 3.27Å
259	W	98.9	Very high	97.4	Very high	66 Å²	66	43.7 Å²	43.7	25%	0.25	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	109.2	-178.9	-47.2	-6.9	0	0	0	108.6	Y215 L236 D237 L238 A239 E257 Y284	Y215-W259 HydrophobicContact CD1-CZ3 4.48Å; Y215-W259 HydrophobicContact CE1-CH2 4.21Å; Y215-W259 HydrophobicContact CE1-CZ3 4.21Å; L236-W259 PolarHBondContact O-N 2.75Å; D237-W259 HydrophobicContact CB-CB 4.28Å; D237-W259 HydrophobicContact CB-CD2 4.16Å; D237-W259 HydrophobicContact CB-CE3 3.66Å; D237-W259 HydrophobicContact CB-CG 4.46Å; D237-W259 HydrophobicContact CB-CZ3 4.3Å; D237-W259 VanDerWaalsContact CG-CE3 3.48Å; L238-W259 CarbonylContact C-O 3.5Å; L238-W259 WeakPolarHBondContact CA-O 3.49Å; L238-W259 PolarHBondContact N-O 3.19Å; A239-W259 PolarHBondContact N-O 2.88Å; E257-W259 PolarHBondContact OE2-NE1 2.75Å; W259-Y284 HydrophobicContact CB-CD2 4.34Å; W259-Y284 AromaticContact CD1-CD2 3.32Å; W259-Y284 AromaticContact CD1-CE2 3.78Å; W259-Y284 HydrophobicContact CD2-CD2 4.35Å; W259-Y284 HydrophobicContact CD2-CE2 4.5Å; W259-Y284 AromaticContact CG-CD2 3.75Å; W259-Y284 HydrophobicContact CG-CD2 3.75Å; W259-Y284 HydrophobicContact CG-CE2 4.32Å; W259-Y284 HydrophobicContact CG-CG 4.35Å; W259-Y284 AromaticContact NE1-CD2 3.72Å; W259-Y284 AromaticContact NE1-CE2 3.65Å
260	C	98.7	Very high	97.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.225	C	C	.	.			trans	-133.5	21.2	-175.7	-161.7	0	0	0	0	111.2	F258 N263 Y284 M285 N288	F258-C260 HydrophobicContact CD1-CB 4.26Å; F258-C260 HydrophobicContact CE1-CB 3.65Å; F258-C260 HydrophobicContact CE2-CB 4.12Å; F258-C260 HydrophobicContact CZ-CB 3.58Å; C260-N263 PolarHBondContact O-ND2 2.78Å; C260-N263 VanDerWaalsContact O-ND2 3.13Å; C260-Y284 CarbonylContact C-O 3.48Å; C260-Y284 WeakPolarHBondContact CA-O 3.41Å; C260-Y284 PolarHBondContact N-O 3.34Å; C260-M285 HydrophobicContact CB-SD 3.87Å; C260-N288 PolarHBondContact O-ND2 2.91Å
261	N	98.7	Very high	97.5	Very high	14 Å²	14	40.3 Å²	40.3	8%	0.075	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	159.1	172	57.7	-78.4	0	0	0	111.4	A239 Y240 N263 Y284 E286 R287	A239-N261 CarbonylContact C-O 3.48Å; A239-N261 VanDerWaalsContact CA-O 3.26Å; A239-N261 WeakPolarHBondContact CA-O 3.46Å; A239-N261 WeakPolarHBondContact CB-OD1 3.26Å; Y240-N261 PolarHBondContact N-O 3.18Å; N261-N263 VanDerWaalsContact C-N 3.28Å; N261-N263 PolarHBondContact O-N 2.92Å; N261-N263 PolarHBondContact O-ND2 2.95Å; N261-N263 VanDerWaalsContact O-ND2 3.15Å; N261-Y284 PolarHBondContact N-O 3.23Å; N261-Y284 VanDerWaalsContact N-O 3.07Å; N261-Y284 WeakPolarHBondContact OD1-CB 3.29Å; N261-E286 CarbonylContact C-O 3.53Å; N261-E286 WeakPolarHBondContact CA-O 3.38Å; N261-E286 HydrophobicContact CB-CB 4.28Å; N261-E286 VanDerWaalsContact CB-O 3.25Å; N261-E286 WeakPolarHBondContact CB-O 3.37Å; N261-R287 PolarHBondContact ND2-NH2 3.45Å
262	D	98.7	Very high	97.4	Very high	28 Å²	28	38.5 Å²	38.5	15%	0.15	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	36.1	179	-61.6	-82.5	0	0	0	114.4	Y240 N241 E286 R287	Y240-D262 HydrophobicContact CD1-CB 3.46Å; Y240-D262 VanDerWaalsContact CD1-CB 3.46Å; Y240-D262 HydrophobicContact CD2-CB 4.15Å; Y240-D262 HydrophobicContact CE1-CB 3.7Å; Y240-D262 WeakPolarHBondContact CE1-OD1 3.19Å; Y240-D262 HydrophobicContact CE2-CB 4.35Å; Y240-D262 WeakPolarHBondContact CE2-OD2 3.42Å; Y240-D262 HydrophobicContact CG-CB 3.7Å; Y240-D262 VanDerWaalsContact CZ-CG 3.44Å; Y240-D262 VanDerWaalsContact CZ-OD2 3.23Å; N241-D262 PolarHBondContact N-O 2.97Å; D262-E286 PolarHBondContact N-O 3.03Å; D262-R287 WeakPolarHBondContact OD1-CB 3.24Å; D262-R287 WeakPolarHBondContact OD1-CD 3.47Å; D262-R287 IonicContact OD1-CZ 3.76Å; D262-R287 IonicContact OD1-NE 2.72Å; D262-R287 PolarHBondContact OD1-NE 3.49Å; D262-R287 IonicContact OD1-NH2 3.97Å; D262-R287 IonicContact OD2-CZ 3.17Å; D262-R287 IonicContact OD2-NE 2.92Å; D262-R287 PolarHBondContact OD2-NE 3.24Å; D262-R287 IonicContact OD2-NH2 2.67Å; D262-R287 PolarHBondContact OD2-NH2 2.87Å
263	N	98.9	Very high	97.2	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	22%	0.218	C	C	.	.	S	Bend	trans	-108.9	-157.3	173.9	-85.2	-76.8	0	0	0	111.1	L238 N241 F242 I243 C260 N261 N288	L238-N263 PolarHBondContact O-ND2 2.74Å; N241-N263 WeakPolarHBondContact CA-OD1 3.46Å; N241-N263 WeakPolarHBondContact CB-OD1 3.34Å; N241-N263 PolarHBondContact O-OD1 3.18Å; F242-N263 PolarHBondContact N-OD1 2.87Å; I243-N263 HydrophobicContact CB-CB 4.3Å; I243-N263 VanDerWaalsContact CB-OD1 3.31Å; I243-N263 WeakPolarHBondContact CB-OD1 3.38Å; I243-N263 PolarHBondContact N-OD1 2.95Å; I243-N263 WeakPolarHBondContact O-CB 3.42Å; C260-N263 PolarHBondContact O-ND2 2.78Å; C260-N263 VanDerWaalsContact O-ND2 3.13Å; N261-N263 VanDerWaalsContact C-N 3.28Å; N261-N263 PolarHBondContact O-N 2.92Å; N261-N263 PolarHBondContact O-ND2 2.95Å; N261-N263 VanDerWaalsContact O-ND2 3.15Å; N263-N288 VanDerWaalsContact CA-OD1 3.32Å; N263-N288 WeakPolarHBondContact CA-OD1 3.46Å; N263-N288 WeakPolarHBondContact CB-OD1 3.48Å; N263-N288 PolarHBondContact N-OD1 3.05Å; N263-N288 PolarHBondContact O-OD1 3.29Å
264	K	98.5	Very high	97.2	Very high	105 Å²	105	38.5 Å²	38.5	46%	0.457	20%	0.195	S	C	.	.			trans	-120	22.5	-174.7	-54.7	-61.1	172.7	-158.9	0	113.1	I243 S266 N288	I243-K264 CarbonylContact O-C 3.55Å; I243-K264 VanDerWaalsContact O-CA 3.31Å; I243-K264 WeakPolarHBondContact O-CA 3.41Å; I243-K264 PolarHBondContact O-N 2.97Å; K264-S266 PolarHBondContact O-N 3.03Å; K264-S266 VanDerWaalsContact O-N 3.16Å; K264-N288 PolarHBondContact N-OD1 2.87Å
265	I	98.4	Very high	96.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.211	C	C	.	.			trans	-69.4	111.2	179.8	-58.9	172	0	0	0	110	I243 I246 Q270 M285 N288 P289 I290	I243-I265 PolarHBondContact O-N 2.93Å; I246-I265 HydrophobicContact CD1-CD1 3.95Å; I246-I265 HydrophobicContact CG1-CD1 3.8Å; I265-Q270 HydrophobicContact CG2-CB 4Å; I265-Q270 HydrophobicContact CG2-CG 4.07Å; I265-M285 HydrophobicContact CB-CE 4.32Å; I265-M285 HydrophobicContact CD1-CE 3.57Å; I265-M285 HydrophobicContact CD1-SD 4.05Å; I265-M285 HydrophobicContact CG2-CE 4.13Å; I265-N288 HydrophobicContact CB-CB 4.11Å; I265-N288 WeakPolarHBondContact CB-OD1 3.48Å; I265-N288 WeakPolarHBondContact CG1-OD1 3.5Å; I265-N288 PolarHBondContact N-OD1 2.75Å; I265-P289 WeakPolarHBondContact O-CD 3.4Å; I265-I290 HydrophobicContact CG2-CD1 4.33Å; I265-I290 HydrophobicContact CG2-CG2 4.44Å; I265-I290 WeakPolarHBondContact O-CG2 3.41Å; I265-I290 PolarHBondContact O-N 3.33Å; I265-I290 VanDerWaalsContact O-N 3.07Å
266	S	96.1	Very high	96.6	Very high	74 Å²	74	43.9 Å²	43.9	52%	0.517	23%	0.232	S	C	.	.			trans	-111.4	-3.1	-177	62.2	0	0	0	0	115.1	K264 I290	K264-S266 PolarHBondContact O-N 3.03Å; K264-S266 VanDerWaalsContact O-N 3.16Å; S266-I290 VanDerWaalsContact C-CG2 3.45Å
267	D	95.4	Very high	96.6	Very high	56 Å²	56	42.7 Å²	42.7	30%	0.299	23%	0.227	S	C	.	.			trans	-123.3	131.3	-172.2	-177.9	6.4	0	0	0	111.1	E269 Q270	D267-E269 VanDerWaalsContact C-N 3.27Å; D267-E269 PolarHBondContact O-N 2.96Å; D267-E269 PolarHBondContact OD1-N 3.08Å; D267-Q270 HydrophobicContact CB-CG 4.17Å; D267-Q270 WeakPolarHBondContact O-CB 3.19Å; D267-Q270 WeakPolarHBondContact O-CG 3.33Å; D267-Q270 PolarHBondContact O-N 3.07Å
268	W	95.1	Very high	96.4	Very high	72 Å²	72	50 Å²	50	27%	0.273	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-24.4	179	-72	96.4	0	0	0	112.5	Q270 L271 I290 Y304 K307 I308	W268-Q270 PolarHBondContact O-N 2.85Å; W268-L271 HydrophobicContact CE3-CD1 3.52Å; W268-L271 HydrophobicContact CZ3-CD1 3.63Å; W268-L271 PolarHBondContact O-N 3.08Å; W268-I290 HydrophobicContact CD2-CG2 4.47Å; W268-I290 HydrophobicContact CH2-CB 4.43Å; W268-I290 HydrophobicContact CZ2-CB 4.04Å; W268-I290 WeakPolarHBondContact CZ2-O 3.47Å; W268-Y304 AromaticContact CH2-CD2 3.78Å; W268-Y304 HydrophobicContact CH2-CD2 3.78Å; W268-Y304 HydrophobicContact CZ2-CD2 4.42Å; W268-K307 HydrophobicContact CD2-CB 4.45Å; W268-K307 HydrophobicContact CD2-CD 4.12Å; W268-K307 HydrophobicContact CE3-CB 3.79Å; W268-K307 HydrophobicContact CE3-CD 4.27Å; W268-K307 HydrophobicContact CH2-CB 3.54Å; W268-K307 HydrophobicContact CH2-CD 3.67Å; W268-K307 HydrophobicContact CH2-CG 4.28Å; W268-K307 HydrophobicContact CZ2-CB 4.2Å; W268-K307 HydrophobicContact CZ2-CD 3.43Å; W268-K307 VanDerWaalsContact CZ2-CD 3.43Å; W268-K307 HydrophobicContact CZ2-CG 4.49Å; W268-K307 HydrophobicContact CZ3-CB 3.29Å; W268-K307 HydrophobicContact CZ3-CD 4.07Å; W268-K307 HydrophobicContact CZ3-CG 4.34Å; W268-I308 HydrophobicContact CH2-CG1 4.38Å; W268-I308 HydrophobicContact CZ3-CG1 3.87Å
269	E	95.1	Very high	96.3	Very high	152 Å²	152	54.7 Å²	54.7	71%	0.71	28%	0.279	S	S	*	.	H	α-helix	trans	-61.5	-25.7	176.3	-65.9	-172.2	178.3	0	0	112.4	D267 L271 G272	D267-E269 VanDerWaalsContact C-N 3.27Å; D267-E269 PolarHBondContact O-N 2.96Å; D267-E269 PolarHBondContact OD1-N 3.08Å; E269-L271 PolarHBondContact O-N 3.01Å; E269-G272 PolarHBondContact O-N 2.75Å; E269-G272 VanDerWaalsContact O-N 3.09Å
270	Q	96.2	Very high	96.3	Very high	6 Å²	6	52.1 Å²	52.1	3%	0.028	27%	0.27	C	S	.	.	H	α-helix	trans	-61.6	-32	178.2	-57.1	-55.6	-53.5	0	0	112.5	Q245 I246 I265 D267 W268 G272 K273	Q245-Q270 VanDerWaalsContact OE1-OE1 3.13Å; I246-Q270 HydrophobicContact CB-CB 4.35Å; I246-Q270 HydrophobicContact CD1-CB 4.09Å; I246-Q270 HydrophobicContact CG1-CB 4.17Å; I246-Q270 PolarHBondContact O-OE1 2.9Å; I265-Q270 HydrophobicContact CG2-CB 4Å; I265-Q270 HydrophobicContact CG2-CG 4.07Å; D267-Q270 HydrophobicContact CB-CG 4.17Å; D267-Q270 WeakPolarHBondContact O-CB 3.19Å; D267-Q270 WeakPolarHBondContact O-CG 3.33Å; D267-Q270 PolarHBondContact O-N 3.07Å; W268-Q270 PolarHBondContact O-N 2.85Å; Q270-G272 VanDerWaalsContact C-N 3.26Å; Q270-G272 PolarHBondContact O-N 3.33Å; Q270-K273 WeakPolarHBondContact O-CB 3.49Å; Q270-K273 PolarHBondContact O-N 2.79Å; Q270-K273 VanDerWaalsContact O-N 3.17Å
271	L	94.6	Very high	96.2	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-66.3	-30.6	178	-61.9	-176.7	0	0	0	112.3	W268 E269 K273 L274 M285 I290 I308	W268-L271 HydrophobicContact CE3-CD1 3.52Å; W268-L271 HydrophobicContact CZ3-CD1 3.63Å; W268-L271 PolarHBondContact O-N 3.08Å; E269-L271 PolarHBondContact O-N 3.01Å; L271-K273 PolarHBondContact O-N 3.11Å; L271-L274 HydrophobicContact CD2-CD1 4.45Å; L271-L274 WeakPolarHBondContact O-CB 3.45Å; L271-L274 PolarHBondContact O-N 3.05Å; L271-M285 HydrophobicContact CD2-CE 3.92Å; L271-I290 HydrophobicContact CD2-CD1 4.49Å; L271-I308 HydrophobicContact CD1-CB 4.41Å; L271-I308 HydrophobicContact CD1-CG1 3.79Å
272	G	92.2	Very high	96.2	Very high	40 Å²	40	55.5 Å²	55.5	41%	0.412	28%	0.282	S	S	.	.	H	α-helix	trans	-59.1	-28.6	176	0	0	0	0	0	112.3	E269 Q270 L274 S275	E269-G272 PolarHBondContact O-N 2.75Å; E269-G272 VanDerWaalsContact O-N 3.09Å; Q270-G272 VanDerWaalsContact C-N 3.26Å; Q270-G272 PolarHBondContact O-N 3.33Å; G272-L274 VanDerWaalsContact C-N 3.28Å; G272-L274 PolarHBondContact O-N 3.21Å; G272-S275 WeakPolarHBondContact O-CB 3.29Å; G272-S275 PolarHBondContact O-N 3.03Å; G272-S275 PolarHBondContact O-OG 2.86Å
273	K	95	Very high	96.2	Very high	81 Å²	81	54.2 Å²	54.2	35%	0.352	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-71.4	-21.7	178.2	-56.8	178.3	177.8	171.3	0	113.3	I246 Q270 L271 S275 V276	I246-K273 HydrophobicContact CB-CD 4.35Å; I246-K273 HydrophobicContact CG2-CB 4.13Å; I246-K273 WeakPolarHBondContact O-CD 3.35Å; I246-K273 WeakPolarHBondContact O-CE 3.46Å; I246-K273 PolarHBondContact O-NZ 3.33Å; Q270-K273 WeakPolarHBondContact O-CB 3.49Å; Q270-K273 PolarHBondContact O-N 2.79Å; Q270-K273 VanDerWaalsContact O-N 3.17Å; L271-K273 PolarHBondContact O-N 3.11Å; K273-S275 VanDerWaalsContact C-N 3.33Å; K273-V276 WeakPolarHBondContact O-CG1 3.1Å
274	L	96.8	Very high	96.2	Very high	1 Å²	1	57 Å²	57	1%	0.005	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-81	-13.9	175.2	-61.1	177.3	0	0	0	112.6	I246 F258 L271 G272 V276 L277 L280 L283 L312	I246-L274 HydrophobicContact CD1-CD1 3.92Å; I246-L274 HydrophobicContact CD1-CD2 4.25Å; I246-L274 HydrophobicContact CD1-CG 4Å; I246-L274 HydrophobicContact CG2-CD2 3.82Å; I246-L274 HydrophobicContact CG2-CG 4.33Å; F258-L274 HydrophobicContact CD1-CD1 4.1Å; F258-L274 HydrophobicContact CD1-CD2 3.87Å; F258-L274 HydrophobicContact CE1-CD1 4.33Å; F258-L274 HydrophobicContact CE1-CD2 3.94Å; L271-L274 HydrophobicContact CD2-CD1 4.45Å; L271-L274 WeakPolarHBondContact O-CB 3.45Å; L271-L274 PolarHBondContact O-N 3.05Å; G272-L274 VanDerWaalsContact C-N 3.28Å; G272-L274 PolarHBondContact O-N 3.21Å; L274-V276 PolarHBondContact O-N 3.03Å; L274-V276 VanDerWaalsContact O-N 3.1Å; L274-L277 HydrophobicContact CD2-CD1 3.72Å; L274-L277 WeakPolarHBondContact O-CB 3.31Å; L274-L277 PolarHBondContact O-N 3.06Å; L274-L280 HydrophobicContact CB-CD2 4.2Å; L274-L280 HydrophobicContact CD1-CD2 4.45Å; L274-L283 HydrophobicContact CD1-CD1 4.09Å; L274-L283 HydrophobicContact CD1-CD2 4.31Å; L274-L312 HydrophobicContact CB-CD1 4.04Å; L274-L312 HydrophobicContact CB-CD2 3.93Å; L274-L312 HydrophobicContact CD1-CD1 3.99Å
275	S	92.5	Very high	96.2	Very high	82 Å²	82	52 Å²	52	57%	0.573	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-62.3	-20.2	-179.2	67.7	0	0	0	0	114.1	G272 K273 L277	G272-S275 WeakPolarHBondContact O-CB 3.29Å; G272-S275 PolarHBondContact O-N 3.03Å; G272-S275 PolarHBondContact O-OG 2.86Å; K273-S275 VanDerWaalsContact C-N 3.33Å; S275-L277 VanDerWaalsContact C-N 3.27Å; S275-L277 PolarHBondContact O-N 3.49Å
276	V	93.4	Very high	96.2	Very high	75 Å²	75	54.2 Å²	54.2	46%	0.455	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-70.8	-22.5	174.4	72.6	0	0	0	0	112.7	K273 L274 K278	K273-V276 WeakPolarHBondContact O-CG1 3.1Å; L274-V276 PolarHBondContact O-N 3.03Å; L274-V276 VanDerWaalsContact O-N 3.1Å; V276-K278 PolarHBondContact O-N 2.84Å
277	L	96.8	Very high	96.2	Very high	9 Å²	9	55.1 Å²	55.1	5%	0.047	27%	0.267	C	S	.	.			trans	-84.1	79.5	-175.4	-55.3	177.7	0	0	0	110.5	M249 L252 L255 L274 S275 K279 L280	M249-L277 HydrophobicContact CB-CD2 4.49Å; M249-L277 HydrophobicContact CE-CD1 4.08Å; M249-L277 WeakPolarHBondContact O-CD2 3.12Å; L252-L277 HydrophobicContact CB-CD2 4.23Å; L252-L277 WeakPolarHBondContact O-CD2 3.2Å; L255-L277 HydrophobicContact CD2-CD1 3.97Å; L274-L277 HydrophobicContact CD2-CD1 3.72Å; L274-L277 WeakPolarHBondContact O-CB 3.31Å; L274-L277 PolarHBondContact O-N 3.06Å; S275-L277 VanDerWaalsContact C-N 3.27Å; S275-L277 PolarHBondContact O-N 3.49Å; L277-K279 PolarHBondContact O-N 2.68Å; L277-K279 VanDerWaalsContact O-N 3.14Å; L277-L280 HydrophobicContact CB-CB 3.87Å; L277-L280 HydrophobicContact CB-CD2 4.47Å; L277-L280 HydrophobicContact CD1-CD2 4.33Å; L277-L280 WeakPolarHBondContact O-CB 3.14Å; L277-L280 PolarHBondContact O-N 3.3Å
278	K	95.4	Very high	96.4	Very high	188 Å²	188	52.4 Å²	52.4	82%	0.817	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-22.3	-171.8	-62.9	179	-176.5	176.1	0	115	V276	V276-K278 PolarHBondContact O-N 2.84Å
279	K	97.5	Very high	96.5	Very high	99 Å²	99	50.6 Å²	50.6	43%	0.43	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-5.3	177.7	-64.6	-161.7	-173.3	175.3	0	113.6	N254 L255 E256 L277 R281	N254-K279 WeakPolarHBondContact OD1-CE 3.25Å; N254-K279 PolarHBondContact OD1-NZ 3.39Å; L255-K279 CarbonylContact O-C 3.6Å; L255-K279 VanDerWaalsContact O-C 3.25Å; E256-K279 HydrophobicContact CG-CB 4.14Å; L277-K279 PolarHBondContact O-N 2.68Å; L277-K279 VanDerWaalsContact O-N 3.14Å; K279-R281 PolarHBondContact O-N 3.07Å; K279-R281 VanDerWaalsContact O-N 3.08Å
280	L	98	Very high	96.6	Very high	11 Å²	11	43.6 Å²	43.6	6%	0.058	22%	0.217	C	C	.	.			trans	-63.8	113.4	-176.4	-174	68.4	0	0	0	110	L255 F258 L274 L277 L315	L255-L280 WeakPolarHBondContact O-CA 3.4Å; L255-L280 PolarHBondContact O-N 3.4Å; L255-L280 VanDerWaalsContact O-N 3.14Å; F258-L280 HydrophobicContact CB-CD1 3.75Å; L274-L280 HydrophobicContact CB-CD2 4.2Å; L274-L280 HydrophobicContact CD1-CD2 4.45Å; L277-L280 HydrophobicContact CB-CB 3.87Å; L277-L280 HydrophobicContact CB-CD2 4.47Å; L277-L280 HydrophobicContact CD1-CD2 4.33Å; L277-L280 WeakPolarHBondContact O-CB 3.14Å; L277-L280 PolarHBondContact O-N 3.3Å; L280-L315 HydrophobicContact CD2-CD2 4.22Å; L280-L315 HydrophobicContact CG-CD2 3.97Å
281	R	97.5	Very high	96.7	Very high	81 Å²	81	45.4 Å²	45.4	31%	0.306	22%	0.224	S	C	.	.			trans	-113.5	-30.1	-179.4	58.8	169	-176	-110.5	-8.6	112.8	E256 E257 K279 Q316 Q317	E256-R281 HydrophobicContact CB-CG 4.25Å; E256-R281 VanDerWaalsContact O-CG 3.27Å; E256-R281 WeakPolarHBondContact O-CG 3.22Å; E256-R281 PolarHBondContact O-N 3.38Å; E256-R281 IonicContact OE1-NH1 2.67Å; E256-R281 IonicContact OE2-CZ 3.73Å; E256-R281 IonicContact OE2-NH1 2.7Å; E256-R281 PolarHBondContact OE2-NH1 2.75Å; E256-R281 IonicContact OE2-NH2 2.99Å; E256-R281 PolarHBondContact OE2-NH2 3.24Å; E257-R281 IonicContact OE1-NH2 3.89Å; K279-R281 PolarHBondContact O-N 3.07Å; K279-R281 VanDerWaalsContact O-N 3.08Å; R281-Q316 HydrophobicContact CB-CB 4.23Å; R281-Q316 HydrophobicContact CB-CG 4.03Å; R281-Q316 PolarHBondContact O-N 2.74Å; R281-Q317 PolarHBondContact O-N 2.98Å
282	T	98.6	Very high	96.8	Very high	5 Å²	5	48.1 Å²	48.1	3%	0.031	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	126.7	-175.8	-58.9	0	0	0	0	110.2	E256 E257 F258 Y284 Q317	E256-T282 PolarHBondContact O-N 3.15Å; E257-T282 WeakPolarHBondContact CA-O 3.23Å; E257-T282 HydrophobicContact CB-CG2 4.48Å; E257-T282 HydrophobicContact CG-CG2 4.44Å; F258-T282 PolarHBondContact N-O 3.42Å; T282-Y284 HydrophobicContact CG2-CD2 3.99Å; T282-Y284 HydrophobicContact CG2-CE2 3.47Å; T282-Y284 VanDerWaalsContact CG2-CE2 3.47Å; T282-Q317 WeakPolarHBondContact CA-O 3.29Å; T282-Q317 HydrophobicContact CG2-CB 4.23Å; T282-Q317 HydrophobicContact CG2-CG 4.46Å
283	L	98.7	Very high	96.9	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	129.5	179.3	-179.7	62.3	0	0	0	110.3	F258 L274 M285 I308 L312 L315 Q317 L318 D319	F258-L283 HydrophobicContact CB-CD1 4.23Å; F258-L283 HydrophobicContact CD1-CD1 3.75Å; F258-L283 HydrophobicContact CG-CD1 4.4Å; F258-L283 WeakPolarHBondContact O-CA 3.48Å; F258-L283 WeakPolarHBondContact O-CD1 3.5Å; L274-L283 HydrophobicContact CD1-CD1 4.09Å; L274-L283 HydrophobicContact CD1-CD2 4.31Å; L283-M285 HydrophobicContact CD1-CG 3.54Å; L283-M285 HydrophobicContact CD1-SD 4.11Å; L283-M285 HydrophobicContact CD2-CG 3.75Å; L283-M285 HydrophobicContact CG-CG 3.51Å; L283-I308 HydrophobicContact CD2-CG2 4.04Å; L283-L312 HydrophobicContact CD2-CD1 3.68Å; L283-L315 HydrophobicContact CB-CD1 3.95Å; L283-L315 HydrophobicContact CB-CD2 3.78Å; L283-L315 HydrophobicContact CD2-CD1 3.73Å; L283-L315 HydrophobicContact CG-CD1 4.5Å; L283-Q317 PolarHBondContact N-O 3.17Å; L283-L318 HydrophobicContact CB-CD1 4.29Å; L283-L318 HydrophobicContact CD2-CD1 4.34Å; L283-L318 HydrophobicContact CG-CD1 4.26Å; L283-L318 CarbonylContact O-C 3.19Å; L283-L318 WeakPolarHBondContact O-CA 3.44Å; L283-D319 PolarHBondContact O-N 3.06Å
284	Y	98.8	Very high	96.7	Very high	59 Å²	59	50.3 Å²	50.3	23%	0.231	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	121.2	166.9	-66.2	-109	0	0	0	108.9	F258 W259 C260 N261 T282 D319 A320	F258-Y284 PolarHBondContact O-N 3.27Å; W259-Y284 HydrophobicContact CB-CD2 4.34Å; W259-Y284 AromaticContact CD1-CD2 3.32Å; W259-Y284 AromaticContact CD1-CE2 3.78Å; W259-Y284 HydrophobicContact CD2-CD2 4.35Å; W259-Y284 HydrophobicContact CD2-CE2 4.5Å; W259-Y284 AromaticContact CG-CD2 3.75Å; W259-Y284 HydrophobicContact CG-CD2 3.75Å; W259-Y284 HydrophobicContact CG-CE2 4.32Å; W259-Y284 HydrophobicContact CG-CG 4.35Å; W259-Y284 AromaticContact NE1-CD2 3.72Å; W259-Y284 AromaticContact NE1-CE2 3.65Å; C260-Y284 CarbonylContact C-O 3.48Å; C260-Y284 WeakPolarHBondContact CA-O 3.41Å; C260-Y284 PolarHBondContact N-O 3.34Å; N261-Y284 PolarHBondContact N-O 3.23Å; N261-Y284 VanDerWaalsContact N-O 3.07Å; N261-Y284 WeakPolarHBondContact OD1-CB 3.29Å; T282-Y284 HydrophobicContact CG2-CD2 3.99Å; T282-Y284 HydrophobicContact CG2-CE2 3.47Å; T282-Y284 VanDerWaalsContact CG2-CE2 3.47Å; Y284-D319 WeakPolarHBondContact CA-OD1 3.4Å; Y284-A320 HydrophobicContact CE1-CB 4.07Å
285	M	98.4	Very high	96.3	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.288	C	S	.	.			trans	-136.8	2	-175.3	-75.5	-70.1	-63.5	0	0	112.6	C260 I265 L271 L283 N288 I290 Y304 I308 D319	C260-M285 HydrophobicContact CB-SD 3.87Å; I265-M285 HydrophobicContact CB-CE 4.32Å; I265-M285 HydrophobicContact CD1-CE 3.57Å; I265-M285 HydrophobicContact CD1-SD 4.05Å; I265-M285 HydrophobicContact CG2-CE 4.13Å; L271-M285 HydrophobicContact CD2-CE 3.92Å; L283-M285 HydrophobicContact CD1-CG 3.54Å; L283-M285 HydrophobicContact CD1-SD 4.11Å; L283-M285 HydrophobicContact CD2-CG 3.75Å; L283-M285 HydrophobicContact CG-CG 3.51Å; M285-N288 PolarHBondContact O-ND2 2.94Å; M285-I290 HydrophobicContact CE-CD1 3.59Å; M285-Y304 WeakPolarHBondContact CB-OH 3.43Å; M285-Y304 PolarHBondContact O-OH 3.38Å; M285-I308 HydrophobicContact CB-CD1 4.15Å; M285-D319 PolarHBondContact N-OD1 3.01Å
286	E	97.5	Very high	96.3	Very high	48 Å²	48	54.5 Å²	54.5	22%	0.224	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	154.2	177.7	-59.6	-159.2	121.4	0	0	113	N261 D262 N288 Y291 Y304 D319	N261-E286 CarbonylContact C-O 3.53Å; N261-E286 WeakPolarHBondContact CA-O 3.38Å; N261-E286 HydrophobicContact CB-CB 4.28Å; N261-E286 VanDerWaalsContact CB-O 3.25Å; N261-E286 WeakPolarHBondContact CB-O 3.37Å; D262-E286 PolarHBondContact N-O 3.03Å; E286-N288 PolarHBondContact O-N 3.39Å; E286-Y291 HydrophobicContact CB-CD2 4.19Å; E286-Y291 HydrophobicContact CB-CE2 4.04Å; E286-Y291 HydrophobicContact CG-CD2 4.38Å; E286-Y291 HydrophobicContact CG-CE2 3.9Å; E286-Y291 PolarHBondContact OE1-OH 3.15Å; E286-Y304 PolarHBondContact N-OH 2.74Å; E286-D319 HydrophobicContact CG-CB 3.5Å; E286-D319 VanDerWaalsContact CG-OD1 3.24Å; E286-D319 WeakPolarHBondContact CG-OD1 3.39Å; E286-D319 PolarHBondContact N-OD1 3.05Å; E286-D319 VanDerWaalsContact N-OD1 3.11Å
287	R	97.2	Very high	96	Very high	92 Å²	92	59.5 Å²	59.5	35%	0.347	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	60	10.2	172.9	-61.7	178.5	-66.9	-75.1	-3.8	115.4	N261 D262	N261-R287 PolarHBondContact ND2-NH2 3.45Å; D262-R287 WeakPolarHBondContact OD1-CB 3.24Å; D262-R287 WeakPolarHBondContact OD1-CD 3.47Å; D262-R287 IonicContact OD1-CZ 3.76Å; D262-R287 IonicContact OD1-NE 2.72Å; D262-R287 PolarHBondContact OD1-NE 3.49Å; D262-R287 IonicContact OD1-NH2 3.97Å; D262-R287 IonicContact OD2-CZ 3.17Å; D262-R287 IonicContact OD2-NE 2.92Å; D262-R287 PolarHBondContact OD2-NE 3.24Å; D262-R287 IonicContact OD2-NH2 2.67Å; D262-R287 PolarHBondContact OD2-NH2 2.87Å
288	N	98.6	Very high	95.7	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	32%	0.315	C	S	.	.	S	Bend	trans	-72	154.3	155.5	-79.1	-78.8	0	0	0	110.4	C260 N263 K264 I265 M285 E286 I290 Y291	C260-N288 PolarHBondContact O-ND2 2.91Å; N263-N288 VanDerWaalsContact CA-OD1 3.32Å; N263-N288 WeakPolarHBondContact CA-OD1 3.46Å; N263-N288 WeakPolarHBondContact CB-OD1 3.48Å; N263-N288 PolarHBondContact N-OD1 3.05Å; N263-N288 PolarHBondContact O-OD1 3.29Å; K264-N288 PolarHBondContact N-OD1 2.87Å; I265-N288 HydrophobicContact CB-CB 4.11Å; I265-N288 WeakPolarHBondContact CB-OD1 3.48Å; I265-N288 WeakPolarHBondContact CG1-OD1 3.5Å; I265-N288 PolarHBondContact N-OD1 2.75Å; M285-N288 PolarHBondContact O-ND2 2.94Å; E286-N288 PolarHBondContact O-N 3.39Å; N288-I290 HydrophobicContact CB-CG1 3.9Å; N288-I290 PolarHBondContact O-N 2.97Å; N288-Y291 WeakPolarHBondContact O-CB 3.19Å; N288-Y291 PolarHBondContact O-N 3.06Å
289	P	97.9	Very high	95.6	Very high	33 Å²	33	61.3 Å²	61.3	21%	0.214	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-52.1	-30.4	175.8	-25.5	28.7	0	0	0	115.4	I265 Y291 F292	I265-P289 WeakPolarHBondContact O-CD 3.4Å; P289-Y291 PolarHBondContact O-N 3.27Å; P289-F292 PolarHBondContact O-N 2.94Å
290	I	96.6	Very high	95.5	Very high	5 Å²	5	60.8 Å²	60.8	3%	0.026	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-62.9	-20.5	172.7	58.6	166.2	0	0	0	114.5	I265 S266 W268 L271 M285 N288 F292 Y304	I265-I290 HydrophobicContact CG2-CD1 4.33Å; I265-I290 HydrophobicContact CG2-CG2 4.44Å; I265-I290 WeakPolarHBondContact O-CG2 3.41Å; I265-I290 PolarHBondContact O-N 3.33Å; I265-I290 VanDerWaalsContact O-N 3.07Å; S266-I290 VanDerWaalsContact C-CG2 3.45Å; W268-I290 HydrophobicContact CD2-CG2 4.47Å; W268-I290 HydrophobicContact CH2-CB 4.43Å; W268-I290 HydrophobicContact CZ2-CB 4.04Å; W268-I290 WeakPolarHBondContact CZ2-O 3.47Å; L271-I290 HydrophobicContact CD2-CD1 4.49Å; M285-I290 HydrophobicContact CE-CD1 3.59Å; N288-I290 HydrophobicContact CB-CG1 3.9Å; N288-I290 PolarHBondContact O-N 2.97Å; I290-F292 VanDerWaalsContact C-N 3.25Å; I290-F292 PolarHBondContact O-N 3.42Å; I290-Y304 HydrophobicContact CD1-CE2 4.23Å; I290-Y304 HydrophobicContact CG1-CE2 4.22Å
291	Y	97.7	Very high	95.4	Very high	45 Å²	45	60.7 Å²	60.7	18%	0.176	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-68.8	-25.4	177.7	-175.4	-97.8	0	0	0	112.3	E286 N288 P289 H300 D301 Y304	E286-Y291 HydrophobicContact CB-CD2 4.19Å; E286-Y291 HydrophobicContact CB-CE2 4.04Å; E286-Y291 HydrophobicContact CG-CD2 4.38Å; E286-Y291 HydrophobicContact CG-CE2 3.9Å; E286-Y291 PolarHBondContact OE1-OH 3.15Å; N288-Y291 WeakPolarHBondContact O-CB 3.19Å; N288-Y291 PolarHBondContact O-N 3.06Å; P289-Y291 PolarHBondContact O-N 3.27Å; Y291-H300 AromaticContact CD1-CD2 3.99Å; Y291-H300 AromaticContact CD2-CD2 3.97Å; Y291-H300 HydrophobicContact CE1-CB 4.21Å; Y291-H300 AromaticContact CE1-CD2 3.59Å; Y291-H300 AromaticContact CE2-CD2 3.59Å; Y291-H300 AromaticContact CE2-NE2 3.96Å; Y291-H300 AromaticContact CZ-CD2 3.38Å; Y291-H300 PolarHBondContact O-CD2 3.01Å; Y291-D301 PolarHBondContact O-N 2.99Å; Y291-Y304 AromaticContact CD2-CD1 3.88Å; Y291-Y304 HydrophobicContact CD2-CD1 3.88Å; Y291-Y304 HydrophobicContact CD2-CD2 4.24Å; Y291-Y304 AromaticContact CD2-CE1 3.65Å; Y291-Y304 HydrophobicContact CD2-CE1 3.65Å; Y291-Y304 AromaticContact CD2-CE2 3.98Å; Y291-Y304 HydrophobicContact CD2-CE2 3.98Å; Y291-Y304 HydrophobicContact CD2-CG 4.17Å; Y291-Y304 AromaticContact CD2-CZ 3.67Å; Y291-Y304 HydrophobicContact CE2-CD1 4.2Å; Y291-Y304 HydrophobicContact CE2-CE1 4.02Å
292	F	97.8	Very high	95.2	Very high	56 Å²	56	61.5 Å²	61.5	25%	0.246	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	159.6	-175.1	-54.7	-81	0	0	0	112.2	P289 I290 S294 R297 K299	P289-F292 PolarHBondContact O-N 2.94Å; I290-F292 VanDerWaalsContact C-N 3.25Å; I290-F292 PolarHBondContact O-N 3.42Å; F292-S294 PolarHBondContact O-N 3.12Å; F292-R297 VanDerWaalsContact CD1-O 3.25Å; F292-R297 WeakPolarHBondContact CD1-O 3.32Å; F292-R297 WeakPolarHBondContact CG-O 3.04Å; F292-K299 CarbonylContact C-O 3.2Å; F292-K299 VanDerWaalsContact CA-O 3.24Å; F292-K299 WeakPolarHBondContact CA-O 3.15Å; F292-K299 WeakPolarHBondContact CB-O 3.36Å
293	L	94.6	Very high	95	Very high	50 Å²	50	64.5 Å²	64.5	26%	0.262	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	135.1	171.7	-70.6	172.8	0	0	0	110.3	T295 D296 K299 D301	L293-T295 PolarHBondContact O-N 3.3Å; L293-D296 CarbonylContact O-C 3.36Å; L293-D296 PolarHBondContact O-N 2.73Å; L293-D296 VanDerWaalsContact O-N 3.13Å; L293-K299 HydrophobicContact CD1-CB 3.99Å; L293-K299 PolarHBondContact N-O 2.63Å; L293-D301 HydrophobicContact CD2-CB 3.84Å; L293-D301 HydrophobicContact CG-CB 4.28Å
294	S	89.7	Confident	94.9	Very high	117 Å²	117	64.7 Å²	64.7	82%	0.818	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-29.1	176.7	57.5	0	0	0	0	112.8	F292	F292-S294 PolarHBondContact O-N 3.12Å
295	T	90	Very high	94.8	Very high	128 Å²	128	65.9 Å²	65.9	79%	0.785	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-22.3	178.2	52.1	0	0	0	0	113.7	L293	L293-T295 PolarHBondContact O-N 3.3Å
296	D	91.2	Very high	94.7	Very high	43 Å²	43	74 Å²	74	23%	0.23	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	96.1	-177.6	-174	-11.5	0	0	0	110.3	L293 T298 K299	L293-D296 CarbonylContact O-C 3.36Å; L293-D296 PolarHBondContact O-N 2.73Å; L293-D296 VanDerWaalsContact O-N 3.13Å; D296-T298 PolarHBondContact O-N 2.78Å; D296-T298 WeakPolarHBondContact OD1-CB 3.25Å; D296-T298 PolarHBondContact OD1-N 3.28Å; D296-T298 PolarHBondContact OD1-OG1 2.93Å; D296-K299 HydrophobicContact CB-CD 4.39Å; D296-K299 PolarHBondContact O-N 3.35Å; D296-K299 VanDerWaalsContact OD2-CD 3.24Å; D296-K299 WeakPolarHBondContact OD2-CD 3.11Å; D296-K299 WeakPolarHBondContact OD2-CE 3.17Å; D296-K299 IonicContact OD2-NZ 2.73Å; D296-K299 PolarHBondContact OD2-NZ 2.7Å
297	R	88.4	Confident	94.7	Very high	180 Å²	180	75.2 Å²	75.2	68%	0.679	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.8	-0.6	-177.6	-68	-172.8	177.9	-174.5	-1.1	114.5	F292	F292-R297 VanDerWaalsContact CD1-O 3.25Å; F292-R297 WeakPolarHBondContact CD1-O 3.32Å; F292-R297 WeakPolarHBondContact CG-O 3.04Å
298	T	89.6	Confident	94.7	Very high	119 Å²	119	70.8 Å²	70.8	73%	0.73	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90	-11	172.6	72	0	0	0	0	112.4	D296	D296-T298 PolarHBondContact O-N 2.78Å; D296-T298 WeakPolarHBondContact OD1-CB 3.25Å; D296-T298 PolarHBondContact OD1-N 3.28Å; D296-T298 PolarHBondContact OD1-OG1 2.93Å
299	K	94.2	Very high	94.6	Very high	116 Å²	116	72.9 Å²	72.9	50%	0.504	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	134.3	-176.2	-67.4	-179.2	-175.7	135.3	0	111.3	F292 L293 D296	F292-K299 CarbonylContact C-O 3.2Å; F292-K299 VanDerWaalsContact CA-O 3.24Å; F292-K299 WeakPolarHBondContact CA-O 3.15Å; F292-K299 WeakPolarHBondContact CB-O 3.36Å; L293-K299 HydrophobicContact CD1-CB 3.99Å; L293-K299 PolarHBondContact N-O 2.63Å; D296-K299 HydrophobicContact CB-CD 4.39Å; D296-K299 PolarHBondContact O-N 3.35Å; D296-K299 VanDerWaalsContact OD2-CD 3.24Å; D296-K299 WeakPolarHBondContact OD2-CD 3.11Å; D296-K299 WeakPolarHBondContact OD2-CE 3.17Å; D296-K299 IonicContact OD2-NZ 2.73Å; D296-K299 PolarHBondContact OD2-NZ 2.7Å
300	H	94.2	Very high	94.4	Very high	88 Å²	88	77.2 Å²	77.2	41%	0.407	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	134.8	171.5	169.8	-107.8	0	0	0	111.3	Y291 S302 Y304	Y291-H300 AromaticContact CD1-CD2 3.99Å; Y291-H300 AromaticContact CD2-CD2 3.97Å; Y291-H300 HydrophobicContact CE1-CB 4.21Å; Y291-H300 AromaticContact CE1-CD2 3.59Å; Y291-H300 AromaticContact CE2-CD2 3.59Å; Y291-H300 AromaticContact CE2-NE2 3.96Å; Y291-H300 AromaticContact CZ-CD2 3.38Å; Y291-H300 PolarHBondContact O-CD2 3.01Å; H300-S302 PolarHBondContact O-N 3.26Å; H300-Y304 AromaticContact NE2-CD1 3.9Å
301	D	95.3	Very high	94.3	Very high	10 Å²	10	79.5 Å²	79.5	5%	0.053	40%	0.404	C	S	.	.			trans	-75.2	112.8	171.3	-179.6	-0.1	0	0	0	109.2	Y291 L293 N303 Y304 K307	Y291-D301 PolarHBondContact O-N 2.99Å; L293-D301 HydrophobicContact CD2-CB 3.84Å; L293-D301 HydrophobicContact CG-CB 4.28Å; D301-N303 PolarHBondContact O-N 2.75Å; D301-N303 WeakPolarHBondContact OD1-CB 3.39Å; D301-N303 PolarHBondContact OD1-N 3.1Å; D301-N303 PolarHBondContact OD1-ND2 3.44Å; D301-Y304 WeakPolarHBondContact O-CB 3.24Å; D301-Y304 PolarHBondContact O-N 2.88Å; D301-K307 IonicContact OD2-NZ 2.76Å; D301-K307 PolarHBondContact OD2-NZ 3Å
302	S	93.9	Very high	94.2	Very high	98 Å²	98	78 Å²	78	69%	0.685	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-20.5	178.2	59.6	0	0	0	0	113.8	H300	H300-S302 PolarHBondContact O-N 3.26Å
303	N	95.1	Very high	94.1	Very high	68 Å²	68	79.1 Å²	79.1	36%	0.364	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-6	176.2	-59.4	-71.8	0	0	0	113.5	D301 R305 R306 K307	D301-N303 PolarHBondContact O-N 2.75Å; D301-N303 WeakPolarHBondContact OD1-CB 3.39Å; D301-N303 PolarHBondContact OD1-N 3.1Å; D301-N303 PolarHBondContact OD1-ND2 3.44Å; N303-R305 PolarHBondContact O-N 3.11Å; N303-R306 PolarHBondContact O-N 3.31Å; N303-K307 HydrophobicContact CB-CD 4.18Å; N303-K307 HydrophobicContact CB-CG 4.3Å; N303-K307 WeakPolarHBondContact O-CB 3.32Å; N303-K307 WeakPolarHBondContact O-CG 3.28Å; N303-K307 PolarHBondContact O-N 3.11Å
304	Y	97.2	Very high	94	Very high	4 Å²	4	82.4 Å²	82.4	2%	0.016	43%	0.43	C	S	.	.	H	α-helix	trans	-49.4	-58.5	-174.6	165.7	-102.5	0	0	0	112.2	W268 M285 E286 I290 Y291 H300 D301 R306 K307 I308 D319	W268-Y304 AromaticContact CH2-CD2 3.78Å; W268-Y304 HydrophobicContact CH2-CD2 3.78Å; W268-Y304 HydrophobicContact CZ2-CD2 4.42Å; M285-Y304 WeakPolarHBondContact CB-OH 3.43Å; M285-Y304 PolarHBondContact O-OH 3.38Å; E286-Y304 PolarHBondContact N-OH 2.74Å; I290-Y304 HydrophobicContact CD1-CE2 4.23Å; I290-Y304 HydrophobicContact CG1-CE2 4.22Å; Y291-Y304 AromaticContact CD2-CD1 3.88Å; Y291-Y304 HydrophobicContact CD2-CD1 3.88Å; Y291-Y304 HydrophobicContact CD2-CD2 4.24Å; Y291-Y304 AromaticContact CD2-CE1 3.65Å; Y291-Y304 HydrophobicContact CD2-CE1 3.65Å; Y291-Y304 AromaticContact CD2-CE2 3.98Å; Y291-Y304 HydrophobicContact CD2-CE2 3.98Å; Y291-Y304 HydrophobicContact CD2-CG 4.17Å; Y291-Y304 AromaticContact CD2-CZ 3.67Å; Y291-Y304 HydrophobicContact CE2-CD1 4.2Å; Y291-Y304 HydrophobicContact CE2-CE1 4.02Å; H300-Y304 AromaticContact NE2-CD1 3.9Å; D301-Y304 WeakPolarHBondContact O-CB 3.24Å; D301-Y304 PolarHBondContact O-N 2.88Å; Y304-R306 PolarHBondContact O-N 3.24Å; Y304-K307 PolarHBondContact O-N 3.08Å; Y304-I308 HydrophobicContact CD1-CD1 4.49Å; Y304-I308 HydrophobicContact CD2-CD1 4.11Å; Y304-I308 HydrophobicContact CE1-CD1 3.82Å; Y304-I308 HydrophobicContact CE2-CD1 3.41Å; Y304-I308 VanDerWaalsContact CE2-CD1 3.41Å; Y304-I308 HydrophobicContact CE2-CG1 4.26Å; Y304-I308 PolarHBondContact O-N 2.64Å; Y304-I308 WeakPolarHBondContact OH-CD1 3.46Å; Y304-D319 VanDerWaalsContact CE1-OD2 3.28Å; Y304-D319 WeakPolarHBondContact CE1-OD2 3.38Å; Y304-D319 PolarHBondContact OH-OD2 3.34Å
305	R	96.6	Very high	94.4	Very high	83 Å²	83	77 Å²	77	31%	0.313	39%	0.391	S	S	.	.	H	α-helix	trans	-58.1	-46.6	179.8	176.9	169.8	-179.7	89.6	-5.2	111.9	N303 K307 I308 L309 L318 L322	N303-R305 PolarHBondContact O-N 3.11Å; R305-K307 PolarHBondContact O-N 2.75Å; R305-I308 PolarHBondContact O-N 3.33Å; R305-L309 HydrophobicContact CG-CD1 4.08Å; R305-L309 WeakPolarHBondContact O-CG 3.37Å; R305-L309 PolarHBondContact O-N 3.22Å; R305-L318 HydrophobicContact CG-CD2 4.08Å; R305-L322 PolarHBondContact NH2-O 3.09Å
306	R	95.9	Very high	94.8	Very high	171 Å²	171	74.8 Å²	74.8	65%	0.645	37%	0.372	S	S	*	.	H	α-helix	trans	-59.8	-45.3	178.8	179.5	-177.4	173.6	-167.9	-0.6	111.4	N303 Y304 L309 L310	N303-R306 PolarHBondContact O-N 3.31Å; Y304-R306 PolarHBondContact O-N 3.24Å; R306-L309 PolarHBondContact O-N 3.04Å; R306-L310 HydrophobicContact CG-CD1 4.15Å; R306-L310 HydrophobicContact CG-CG 4.5Å; R306-L310 WeakPolarHBondContact O-CG 3.39Å; R306-L310 PolarHBondContact O-N 3.05Å
307	K	96.2	Very high	95.1	Very high	73 Å²	73	75.1 Å²	75.1	32%	0.317	37%	0.372	S	S	.	.	H	α-helix	trans	-63.9	-42.5	-179.9	-72.5	170.9	178.8	171.1	0	111.6	W268 D301 N303 Y304 R305 L310 S311	W268-K307 HydrophobicContact CD2-CB 4.45Å; W268-K307 HydrophobicContact CD2-CD 4.12Å; W268-K307 HydrophobicContact CE3-CB 3.79Å; W268-K307 HydrophobicContact CE3-CD 4.27Å; W268-K307 HydrophobicContact CH2-CB 3.54Å; W268-K307 HydrophobicContact CH2-CD 3.67Å; W268-K307 HydrophobicContact CH2-CG 4.28Å; W268-K307 HydrophobicContact CZ2-CB 4.2Å; W268-K307 HydrophobicContact CZ2-CD 3.43Å; W268-K307 VanDerWaalsContact CZ2-CD 3.43Å; W268-K307 HydrophobicContact CZ2-CG 4.49Å; W268-K307 HydrophobicContact CZ3-CB 3.29Å; W268-K307 HydrophobicContact CZ3-CD 4.07Å; W268-K307 HydrophobicContact CZ3-CG 4.34Å; D301-K307 IonicContact OD2-NZ 2.76Å; D301-K307 PolarHBondContact OD2-NZ 3Å; N303-K307 HydrophobicContact CB-CD 4.18Å; N303-K307 HydrophobicContact CB-CG 4.3Å; N303-K307 WeakPolarHBondContact O-CB 3.32Å; N303-K307 WeakPolarHBondContact O-CG 3.28Å; N303-K307 PolarHBondContact O-N 3.11Å; Y304-K307 PolarHBondContact O-N 3.08Å; R305-K307 PolarHBondContact O-N 2.75Å; K307-L310 PolarHBondContact O-N 3.09Å; K307-S311 PolarHBondContact O-N 3.08Å; K307-S311 PolarHBondContact O-OG 2.93Å
308	I	97.6	Very high	95.6	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-59.4	-49.1	174.8	-67.2	-174.9	0	0	0	110.8	W268 L271 L283 M285 Y304 R305 L310 S311 L312 L315 L318	W268-I308 HydrophobicContact CH2-CG1 4.38Å; W268-I308 HydrophobicContact CZ3-CG1 3.87Å; L271-I308 HydrophobicContact CD1-CB 4.41Å; L271-I308 HydrophobicContact CD1-CG1 3.79Å; L283-I308 HydrophobicContact CD2-CG2 4.04Å; M285-I308 HydrophobicContact CB-CD1 4.15Å; Y304-I308 HydrophobicContact CD1-CD1 4.49Å; Y304-I308 HydrophobicContact CD2-CD1 4.11Å; Y304-I308 HydrophobicContact CE1-CD1 3.82Å; Y304-I308 HydrophobicContact CE2-CD1 3.41Å; Y304-I308 VanDerWaalsContact CE2-CD1 3.41Å; Y304-I308 HydrophobicContact CE2-CG1 4.26Å; Y304-I308 PolarHBondContact O-N 2.64Å; Y304-I308 WeakPolarHBondContact OH-CD1 3.46Å; R305-I308 PolarHBondContact O-N 3.33Å; I308-L310 VanDerWaalsContact C-N 3.29Å; I308-L310 PolarHBondContact O-N 2.98Å; I308-S311 PolarHBondContact O-N 3Å; I308-S311 VanDerWaalsContact O-N 3.08Å; I308-L312 PolarHBondContact O-N 3.14Å; I308-L315 HydrophobicContact CG2-CD1 3.85Å; I308-L318 HydrophobicContact CB-CD2 3.91Å; I308-L318 HydrophobicContact CD1-CD1 3.89Å; I308-L318 HydrophobicContact CD1-CD2 4.11Å; I308-L318 HydrophobicContact CG2-CD1 4.04Å; I308-L318 HydrophobicContact CG2-CD2 3.77Å
309	L	96.1	Very high	95.9	Very high	43 Å²	43	61.5 Å²	61.5	23%	0.225	31%	0.308	C	S	.	.	H	α-helix	trans	-68.9	-25.9	-177.5	-62.6	177.8	0	0	0	113.3	R305 R306 L312 P313 L315 L318 T323	R305-L309 HydrophobicContact CG-CD1 4.08Å; R305-L309 WeakPolarHBondContact O-CG 3.37Å; R305-L309 PolarHBondContact O-N 3.22Å; R306-L309 PolarHBondContact O-N 3.04Å; L309-L312 CarbonylContact O-C 3.45Å; L309-P313 WeakPolarHBondContact O-CA 3.23Å; L309-L315 HydrophobicContact CD2-CB 4.31Å; L309-L318 HydrophobicContact CD2-CD2 4.4Å; L309-T323 HydrophobicContact CD1-CG2 4.49Å; L309-T323 HydrophobicContact CD2-CG2 3.56Å
310	L	94.7	Very high	96	Very high	125 Å²	125	58.7 Å²	58.7	65%	0.654	31%	0.307	S	S	*	.	H	α-helix	trans	-68.9	-36.7	170	-74	171.9	0	0	0	112	R306 K307 I308	R306-L310 HydrophobicContact CG-CD1 4.15Å; R306-L310 HydrophobicContact CG-CG 4.5Å; R306-L310 WeakPolarHBondContact O-CG 3.39Å; R306-L310 PolarHBondContact O-N 3.05Å; K307-L310 PolarHBondContact O-N 3.09Å; I308-L310 VanDerWaalsContact C-N 3.29Å; I308-L310 PolarHBondContact O-N 2.98Å
311	S	94.8	Very high	96.1	Very high	52 Å²	52	59.3 Å²	59.3	36%	0.364	31%	0.313	S	S	.	.	H	α-helix	trans	-78.6	-33	176.7	-63.6	0	0	0	0	113.1	K307 I308	K307-S311 PolarHBondContact O-N 3.08Å; K307-S311 PolarHBondContact O-OG 2.93Å; I308-S311 PolarHBondContact O-N 3Å; I308-S311 VanDerWaalsContact O-N 3.08Å
312	L	96.2	Very high	96.1	Very high	13 Å²	13	64.3 Å²	64.3	7%	0.068	34%	0.339	C	S	.	.			trans	-131.4	70.8	-174.8	-60.2	173.2	0	0	0	110.3	L274 L283 I308 L309 N314 L315	L274-L312 HydrophobicContact CB-CD1 4.04Å; L274-L312 HydrophobicContact CB-CD2 3.93Å; L274-L312 HydrophobicContact CD1-CD1 3.99Å; L283-L312 HydrophobicContact CD2-CD1 3.68Å; I308-L312 PolarHBondContact O-N 3.14Å; L309-L312 CarbonylContact O-C 3.45Å; L312-N314 PolarHBondContact O-N 3.41Å; L312-N314 VanDerWaalsContact O-N 3.16Å; L312-L315 HydrophobicContact CB-CD1 3.62Å; L312-L315 HydrophobicContact CB-CG 3.85Å; L312-L315 HydrophobicContact CD1-CD1 3.95Å; L312-L315 HydrophobicContact CG-CD1 4.45Å; L312-L315 PolarHBondContact O-N 3.18Å
313	P	94	Very high	96.2	Very high	80 Å²	80	61 Å²	61	52%	0.519	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-12	-170.7	27.9	-36.7	0	0	0	114.8	L309 V325	L309-P313 WeakPolarHBondContact O-CA 3.23Å; P313-V325 WeakPolarHBondContact O-CG2 3.34Å
314	N	93.5	Very high	95.9	Very high	120 Å²	120	60.1 Å²	60.1	64%	0.642	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-3.2	-179	-62.9	-32.5	0	0	0	113.6	L312 Q316	L312-N314 PolarHBondContact O-N 3.41Å; L312-N314 VanDerWaalsContact O-N 3.16Å; N314-Q316 PolarHBondContact O-N 3.12Å
315	L	97.4	Very high	95.2	Very high	3 Å²	3	62.6 Å²	62.6	2%	0.016	34%	0.338	C	S	.	.			trans	-60.7	131.3	177.8	-74.6	173.5	0	0	0	110.2	L280 L283 I308 L309 L312 T323 V325	L280-L315 HydrophobicContact CD2-CD2 4.22Å; L280-L315 HydrophobicContact CG-CD2 3.97Å; L283-L315 HydrophobicContact CB-CD1 3.95Å; L283-L315 HydrophobicContact CB-CD2 3.78Å; L283-L315 HydrophobicContact CD2-CD1 3.73Å; L283-L315 HydrophobicContact CG-CD1 4.5Å; I308-L315 HydrophobicContact CG2-CD1 3.85Å; L309-L315 HydrophobicContact CD2-CB 4.31Å; L312-L315 HydrophobicContact CB-CD1 3.62Å; L312-L315 HydrophobicContact CB-CG 3.85Å; L312-L315 HydrophobicContact CD1-CD1 3.95Å; L312-L315 HydrophobicContact CG-CD1 4.45Å; L312-L315 PolarHBondContact O-N 3.18Å; L315-T323 HydrophobicContact CB-CG2 4.36Å; L315-T323 WeakPolarHBondContact O-CB 3.09Å; L315-T323 WeakPolarHBondContact O-CG2 3.42Å; L315-T323 PolarHBondContact O-OG1 3.23Å; L315-V325 WeakPolarHBondContact O-CB 3.26Å
316	Q	97.7	Very high	94	Very high	81 Å²	81	61.8 Å²	61.8	38%	0.379	36%	0.356	S	S	.	.	S	Bend	trans	-91.4	-33.5	176.4	-60.7	179.2	-20.9	0	0	111.3	R281 N314 L322 T323	R281-Q316 HydrophobicContact CB-CB 4.23Å; R281-Q316 HydrophobicContact CB-CG 4.03Å; R281-Q316 PolarHBondContact O-N 2.74Å; N314-Q316 PolarHBondContact O-N 3.12Å; Q316-L322 WeakPolarHBondContact O-CA 3.45Å; Q316-T323 WeakPolarHBondContact CA-OG1 3.14Å; Q316-T323 PolarHBondContact O-N 3.39Å; Q316-T323 PolarHBondContact O-OG1 3.27Å
317	Q	98.3	Very high	92	Very high	50 Å²	50	62 Å²	62	23%	0.234	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	133	178.4	-167.7	177.7	28.1	0	0	110.6	R281 T282 L283 A320	R281-Q317 PolarHBondContact O-N 2.98Å; T282-Q317 WeakPolarHBondContact CA-O 3.29Å; T282-Q317 HydrophobicContact CG2-CB 4.23Å; T282-Q317 HydrophobicContact CG2-CG 4.46Å; L283-Q317 PolarHBondContact N-O 3.17Å; Q317-A320 PolarHBondContact NE2-O 3.04Å
318	L	98.4	Very high	91.8	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.005	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	120.9	173.7	171.1	62.9	0	0	0	108.6	L283 R305 I308 L309 A320 N321 T323	L283-L318 HydrophobicContact CB-CD1 4.29Å; L283-L318 HydrophobicContact CD2-CD1 4.34Å; L283-L318 HydrophobicContact CG-CD1 4.26Å; L283-L318 CarbonylContact O-C 3.19Å; L283-L318 WeakPolarHBondContact O-CA 3.44Å; R305-L318 HydrophobicContact CG-CD2 4.08Å; I308-L318 HydrophobicContact CB-CD2 3.91Å; I308-L318 HydrophobicContact CD1-CD1 3.89Å; I308-L318 HydrophobicContact CD1-CD2 4.11Å; I308-L318 HydrophobicContact CG2-CD1 4.04Å; I308-L318 HydrophobicContact CG2-CD2 3.77Å; L309-L318 HydrophobicContact CD2-CD2 4.4Å; L318-A320 PolarHBondContact O-N 2.94Å; L318-N321 PolarHBondContact N-O 2.71Å; L318-N321 WeakPolarHBondContact O-CB 3.15Å; L318-N321 PolarHBondContact O-N 2.74Å; L318-N321 VanDerWaalsContact O-O 3.13Å; L318-T323 HydrophobicContact CB-CG2 4.14Å
319	D	97.7	Very high	91.5	Very high	12 Å²	12	64.7 Å²	64.7	6%	0.064	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	57.9	177.7	-53.8	-50.6	0	0	0	111.8	L283 Y284 M285 E286 Y304 N321	L283-D319 PolarHBondContact O-N 3.06Å; Y284-D319 WeakPolarHBondContact CA-OD1 3.4Å; M285-D319 PolarHBondContact N-OD1 3.01Å; E286-D319 HydrophobicContact CG-CB 3.5Å; E286-D319 VanDerWaalsContact CG-OD1 3.24Å; E286-D319 WeakPolarHBondContact CG-OD1 3.39Å; E286-D319 PolarHBondContact N-OD1 3.05Å; E286-D319 VanDerWaalsContact N-OD1 3.11Å; Y304-D319 VanDerWaalsContact CE1-OD2 3.28Å; Y304-D319 WeakPolarHBondContact CE1-OD2 3.38Å; Y304-D319 PolarHBondContact OH-OD2 3.34Å; D319-N321 PolarHBondContact O-N 3.35Å; D319-N321 PolarHBondContact O-ND2 3.22Å
320	A	94.9	Very high	91.2	Very high	58 Å²	58	65.9 Å²	65.9	48%	0.479	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.9	-10.6	-172.6	0	0	0	0	0	116.7	Y284 Q317 L318	Y284-A320 HydrophobicContact CE1-CB 4.07Å; Q317-A320 PolarHBondContact NE2-O 3.04Å; L318-A320 PolarHBondContact O-N 2.94Å
321	N	96.1	Very high	91	Very high	100 Å²	100	62.4 Å²	62.4	54%	0.535	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	129.5	-175.7	-66.5	-70	0	0	0	112.6	L318 D319	L318-N321 PolarHBondContact N-O 2.71Å; L318-N321 WeakPolarHBondContact O-CB 3.15Å; L318-N321 PolarHBondContact O-N 2.74Å; L318-N321 VanDerWaalsContact O-O 3.13Å; D319-N321 PolarHBondContact O-N 3.35Å; D319-N321 PolarHBondContact O-ND2 3.22Å
322	L	96	Very high	90.8	Very high	115 Å²	115	63.1 Å²	63.1	60%	0.602	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.7	142	174.5	-64.6	177.4	0	0	0	111.8	R305 Q316 I327	R305-L322 PolarHBondContact NH2-O 3.09Å; Q316-L322 WeakPolarHBondContact O-CA 3.45Å; L322-I327 HydrophobicContact CB-CD1 4.42Å; L322-I327 HydrophobicContact CD1-CD1 4.31Å
323	T	95.1	Very high	90.4	Very high	28 Å²	28	66.4 Å²	66.4	17%	0.172	41%	0.406	C	S	.	.			trans	-92.6	-16.8	-177.2	64.9	0	0	0	0	114	L309 L315 Q316 L318 V325	L309-T323 HydrophobicContact CD1-CG2 4.49Å; L309-T323 HydrophobicContact CD2-CG2 3.56Å; L315-T323 HydrophobicContact CB-CG2 4.36Å; L315-T323 WeakPolarHBondContact O-CB 3.09Å; L315-T323 WeakPolarHBondContact O-CG2 3.42Å; L315-T323 PolarHBondContact O-OG1 3.23Å; Q316-T323 WeakPolarHBondContact CA-OG1 3.14Å; Q316-T323 PolarHBondContact O-N 3.39Å; Q316-T323 PolarHBondContact O-OG1 3.27Å; L318-T323 HydrophobicContact CB-CG2 4.14Å; T323-V325 PolarHBondContact OG1-N 3.36Å
324	G	88.7	Confident	90.2	Very high	50 Å²	50	65.4 Å²	65.4	52%	0.515	40%	0.398	S	S	.	.	S	Bend	trans	94.1	-10.2	-169	0	0	0	0	0	113.8
325	V	84.1	Confident	89.9	Confident	56 Å²	56	61.2 Å²	61.2	34%	0.339	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	129.1	177.3	-179.9	0	0	0	0	109.6	P313 L315 T323 I327	P313-V325 WeakPolarHBondContact O-CG2 3.34Å; L315-V325 WeakPolarHBondContact O-CB 3.26Å; T323-V325 PolarHBondContact OG1-N 3.36Å; V325-I327 VanDerWaalsContact C-N 3.28Å; V325-I327 PolarHBondContact O-N 2.7Å
326	G	69.7	Low	89.3	Confident	67 Å²	67	66.1 Å²	66.1	69%	0.691	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	9.3	176.9	0	0	0	0	0	115.5
327	I	55	Low	88.5	Confident	175 Å²	175	64.7 Å²	64.7	90%	0.897	41%	0.412	S	S	*	.			trans	-73.2	0	167.9	-50	-175.1	0	0	0	110.1	L322 V325	L322-I327 HydrophobicContact CB-CD1 4.42Å; L322-I327 HydrophobicContact CD1-CD1 4.31Å; V325-I327 VanDerWaalsContact C-N 3.28Å; V325-I327 PolarHBondContact O-N 2.7Å

Retrieved 327 of 327 residues in 76.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).