A0A096MCX2_POEFO Loading...

Leucine-rich repeat-containing protein 23

AlphaFold DB , UniProt , Accession A0A096MCX2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 325 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	35.6	Very low	32.2	Very low	239 Å²	239	149.8 Å²	149.8	100%	1.177	81%	0.813	S	S	*	*				0	98.9	0	-90.8	173.5	165.6	0	0	105.9
2	S	33.8	Very low	32.2	Very low	108 Å²	108	152.3 Å²	152.3	76%	0.755	82%	0.815	S	S	*	*			trans	45.7	98.1	169.7	57.5	0	0	0	0	115.4
3	D	29.6	Very low	32.2	Very low	145 Å²	145	153.5 Å²	153.5	78%	0.775	81%	0.812	S	S	*	*			cis	42	103.1	48.8	-62.9	-21.3	0	0	0	112.3
4	N	32.2	Very low	32.2	Very low	148 Å²	148	156 Å²	156	79%	0.791	82%	0.817	S	S	*	*			trans	-151.6	81.5	156.9	-127.3	47.8	0	0	0	108.3
5	D	30.8	Very low	32.2	Very low	142 Å²	142	158 Å²	158	76%	0.759	83%	0.828	S	S	*	*			trans	-64.5	132.7	151.6	-69.4	-47.2	0	0	0	108.2
6	D	33.3	Very low	32.1	Very low	142 Å²	142	152.6 Å²	152.6	76%	0.759	82%	0.822	S	S	*	*			trans	-135.2	114.2	158.4	-96.3	-37	0	0	0	110.4
7	V	32.3	Very low	32.2	Very low	111 Å²	111	155 Å²	155	67%	0.673	83%	0.827	S	S	*	*			trans	-82.4	126.8	-179.8	171.9	0	0	0	0	108.1	L9	V7-L9 HydrophobicContact CG1-CD1 4.29Å; V7-L9 HydrophobicContact CG1-CG 3.99Å
8	Y	30.1	Very low	32.2	Very low	232 Å²	232	155.6 Å²	155.6	91%	0.91	83%	0.83	S	S	*	*			trans	-93.1	101.8	164.8	-90.8	-88	0	0	0	109.6
9	L	30.4	Very low	32.4	Very low	150 Å²	150	152.5 Å²	152.5	79%	0.785	83%	0.829	S	S	*	*			trans	-83.1	134.2	165.9	-83.7	154.3	0	0	0	109.7	V7	V7-L9 HydrophobicContact CG1-CD1 4.29Å; V7-L9 HydrophobicContact CG1-CG 3.99Å
10	S	31.3	Very low	32.6	Very low	104 Å²	104	151.1 Å²	151.1	73%	0.727	83%	0.827	S	S	*	*			trans	-73.3	156.7	167.6	49.5	0	0	0	0	111.7
11	P	35.2	Very low	33	Very low	127 Å²	127	148.7 Å²	148.7	83%	0.825	83%	0.828	S	S	*	*			trans	-115.9	123.9	155.4	24.3	-7.5	0	0	0	111.6
12	E	32.1	Very low	33	Very low	179 Å²	179	146.3 Å²	146.3	84%	0.836	81%	0.814	S	S	*	*			trans	-90.5	161.6	158.6	-78.6	-175.9	157.5	0	0	110.9
13	E	32	Very low	33.2	Very low	168 Å²	168	150.7 Å²	150.7	79%	0.785	82%	0.822	S	S	*	*			trans	95.4	105.2	163.3	-54.8	-168.4	161.1	0	0	118.1
14	Q	32	Very low	33.5	Very low	189 Å²	189	146.8 Å²	146.8	88%	0.883	82%	0.816	S	S	*	*				-174.5	142.2	94.9	-97.5	166.7	3	0	0	113.4
15	L	32.7	Very low	33.8	Very low	186 Å²	186	149.1 Å²	149.1	97%	0.974	82%	0.823	S	S	*	*			trans	-70.2	150.4	-178	-72.5	143.9	0	0	0	113.7
16	G	30.9	Very low	34.1	Very low	71 Å²	71	151.4 Å²	151.4	73%	0.732	83%	0.828	S	S	*	*			trans	178.8	96.5	164	0	0	0	0	0	115.6
17	E	33.7	Very low	34.3	Very low	194 Å²	194	147.6 Å²	147.6	91%	0.907	82%	0.823	S	S	*	*			trans	58.7	116.7	141.3	-62.8	-177.7	166.7	0	0	123.8
18	D	32.7	Very low	34.7	Very low	165 Å²	165	151.5 Å²	151.5	88%	0.882	83%	0.834	S	S	*	*			trans	8.3	122	143.7	-64.4	-32.5	0	0	0	122.2
19	A	34.8	Very low	35.3	Very low	98 Å²	98	149.5 Å²	149.5	81%	0.81	83%	0.833	S	S	*	*			trans	-170.6	159.6	138.3	0	0	0	0	0	110.3
20	P	37.7	Very low	35.9	Very low	123 Å²	123	146.4 Å²	146.4	80%	0.799	83%	0.829	S	S	*	*			trans	-89.5	161	-134.1	37.4	-37.1	0	0	0	115.6	E22	P20-E22 PolarHBondContact O-N 2.96Å
21	A	39.5	Very low	36.7	Very low	101 Å²	101	149 Å²	149	84%	0.835	83%	0.834	S	S	*	*			trans	-60.5	114.9	174.2	0	0	0	0	0	112.1
22	E	36.9	Very low	37.8	Very low	189 Å²	189	152.4 Å²	152.4	88%	0.883	84%	0.836	S	S	*	*			trans	-91.9	112.7	156.5	-73.4	-170.2	164.1	0	0	107.7	P20 G24	P20-E22 PolarHBondContact O-N 2.96Å; E22-G24 VanDerWaalsContact C-N 3.26Å; E22-G24 PolarHBondContact O-N 3.32Å
23	E	37.8	Very low	39.2	Very low	200 Å²	200	150.6 Å²	150.6	94%	0.935	83%	0.831	S	S	*	*			trans	-65.4	88.8	165.4	-70.7	-179.9	164.7	0	0	108.3
24	G	35.1	Very low	41.4	Very low	63 Å²	63	149.1 Å²	149.1	65%	0.649	82%	0.824	S	S	*	*			trans	-80.7	114.6	162.2	0	0	0	0	0	108.6	E22 E26	E22-G24 VanDerWaalsContact C-N 3.26Å; E22-G24 PolarHBondContact O-N 3.32Å; G24-E26 VanDerWaalsContact C-N 3.27Å; G24-E26 PolarHBondContact O-N 3.2Å
25	E	38.7	Very low	44	Very low	198 Å²	198	144.3 Å²	144.3	93%	0.925	81%	0.807	S	S	*	*			trans	-57.7	92.2	162.8	-68.8	178.7	156.1	0	0	108.5	G27	E25-G27 PolarHBondContact O-N 3.48Å
26	E	37	Very low	46.8	Very low	189 Å²	189	139.1 Å²	139.1	88%	0.883	78%	0.777	S	S	*	*			trans	-68.4	84.4	162.3	-75.9	-172.7	171	0	0	107.3	G24 E28	G24-E26 VanDerWaalsContact C-N 3.27Å; G24-E26 PolarHBondContact O-N 3.2Å; E26-E28 PolarHBondContact O-N 3.42Å
27	G	36.8	Very low	49.8	Very low	62 Å²	62	139.2 Å²	139.2	64%	0.639	77%	0.765	S	S	*	*			trans	-55.9	121.4	160.2	0	0	0	0	0	107.9	E25 E29	E25-G27 PolarHBondContact O-N 3.48Å; G27-E29 VanDerWaalsContact C-N 3.27Å; G27-E29 PolarHBondContact O-N 2.69Å
28	E	41.6	Very low	52.8	Low	193 Å²	193	130.4 Å²	130.4	90%	0.902	72%	0.724	S	S	*	*			trans	-52.5	93.5	165.5	-67	176.9	158	0	0	108.3	E26 A30	E26-E28 PolarHBondContact O-N 3.42Å; E28-A30 PolarHBondContact O-N 3.11Å
29	E	41.8	Very low	55.7	Low	191 Å²	191	125.8 Å²	125.8	89%	0.893	70%	0.699	S	S	*	*			trans	-66.6	87.8	160.8	-81.2	-164.4	149.9	0	0	106.1	G27 D31	G27-E29 VanDerWaalsContact C-N 3.27Å; G27-E29 PolarHBondContact O-N 2.69Å; E29-D31 PolarHBondContact O-N 2.66Å
30	A	44.6	Very low	58.6	Low	85 Å²	85	128.1 Å²	128.1	70%	0.702	69%	0.691	S	S	*	*			trans	-50.5	111.8	165.8	0	0	0	0	0	107.6	E28 K32	E28-A30 PolarHBondContact O-N 3.11Å; A30-K32 PolarHBondContact O-N 2.87Å
31	D	47.8	Very low	61.3	Low	157 Å²	157	129.1 Å²	129.1	84%	0.84	69%	0.685	S	S	*	*			trans	-41.6	105.4	174.2	-93.3	-32.9	0	0	0	109	E29 I33	E29-D31 PolarHBondContact O-N 2.66Å; D31-I33 PolarHBondContact O-N 3.1Å
32	K	57.3	Low	64	Low	199 Å²	199	125.9 Å²	125.9	87%	0.865	65%	0.653	S	S	*	*			trans	-65.9	104	171.8	-76.4	177	-178.2	166.1	0	106.1	A30 Q34	A30-K32 PolarHBondContact O-N 2.87Å; K32-Q34 PolarHBondContact O-N 3.45Å
33	I	62.3	Low	66.8	Low	141 Å²	141	116.9 Å²	116.9	72%	0.723	61%	0.611	S	S	*	*			trans	-53.7	106.5	174.6	-59	172.5	0	0	0	107.4	D31 V35	D31-I33 PolarHBondContact O-N 3.1Å; I33-V35 PolarHBondContact O-N 2.82Å; I33-V35 VanDerWaalsContact O-N 3.16Å
34	Q	77.9	Confident	69.5	Low	137 Å²	137	112.3 Å²	112.3	64%	0.64	59%	0.592	S	S	*	*			trans	-69.9	112.3	177.8	-172.4	176.3	9.3	0	0	107.9	K32 F36	K32-Q34 PolarHBondContact O-N 3.45Å; Q34-F36 HydrophobicContact CB-CE2 3.93Å; Q34-F36 HydrophobicContact CG-CD2 4.29Å; Q34-F36 HydrophobicContact CG-CE2 3.54Å; Q34-F36 HydrophobicContact CG-CZ 3.68Å; Q34-F36 WeakPolarHBondContact O-CD2 3.43Å
35	V	85.9	Confident	72.4	Confident	89 Å²	89	115.8 Å²	115.8	54%	0.539	59%	0.591	S	S	.	*			trans	-81.6	124.2	-177.7	-175.4	0	0	0	0	109.7	I33 P37 T72 D73	I33-V35 PolarHBondContact O-N 2.82Å; I33-V35 VanDerWaalsContact O-N 3.16Å; V35-P37 WeakPolarHBondContact O-CD 3.44Å; V35-T72 WeakPolarHBondContact CA-OG1 3.4Å; V35-T72 WeakPolarHBondContact CG1-OG1 3.41Å; V35-D73 HydrophobicContact CG1-CB 4.23Å
36	F	92	Very high	75.1	Confident	77 Å²	77	106.7 Å²	106.7	34%	0.338	55%	0.551	S	S	.	*			trans	-114.3	91.4	172.1	-67.9	-82.7	0	0	0	108.7	Q34 A70 L71 T72	Q34-F36 HydrophobicContact CB-CE2 3.93Å; Q34-F36 HydrophobicContact CG-CD2 4.29Å; Q34-F36 HydrophobicContact CG-CE2 3.54Å; Q34-F36 HydrophobicContact CG-CZ 3.68Å; Q34-F36 WeakPolarHBondContact O-CD2 3.43Å; F36-A70 WeakPolarHBondContact CB-O 3.33Å; F36-A70 WeakPolarHBondContact CD2-O 3.39Å; F36-A70 WeakPolarHBondContact CG-O 3.49Å; F36-L71 WeakPolarHBondContact O-CA 3.32Å; F36-T72 HydrophobicContact CD2-CG2 4.5Å; F36-T72 PolarHBondContact N-OG1 2.88Å; F36-T72 PolarHBondContact O-N 3.46Å; F36-T72 VanDerWaalsContact O-N 3.08Å
37	P	94.7	Very high	77.9	Confident	72 Å²	72	99.2 Å²	99.2	47%	0.468	52%	0.517	S	S	.	.	B	Isolated β-bridge	trans	-78.1	139.8	-175.5	31.4	-33.8	0	0	0	111.4	V35 N39 D73	V35-P37 WeakPolarHBondContact O-CD 3.44Å; P37-N39 PolarHBondContact O-N 3.32Å; P37-D73 HydrophobicContact CB-CB 4.46Å
38	L	95.8	Very high	80.8	Confident	9 Å²	9	98.1 Å²	98.1	5%	0.047	50%	0.5	C	S	.	.			trans	-61.6	123.7	168.6	-178.9	62.7	0	0	0	109.7	I42 I43 L66 L71 D73 I74 A76 I77	L38-I42 HydrophobicContact CD1-CB 4.04Å; L38-I42 HydrophobicContact CD1-CG2 3.5Å; L38-I42 VanDerWaalsContact CD1-CG2 3.5Å; L38-I43 HydrophobicContact CD1-CD1 4.39Å; L38-I43 HydrophobicContact CD1-CG1 3.64Å; L38-I43 HydrophobicContact CD2-CD1 3.86Å; L38-I43 HydrophobicContact CD2-CG1 3.82Å; L38-I43 HydrophobicContact CG-CD1 3.87Å; L38-I43 HydrophobicContact CG-CG1 3.69Å; L38-L66 HydrophobicContact CD1-CD1 3.93Å; L38-L66 HydrophobicContact CD1-CD2 3.82Å; L38-L66 HydrophobicContact CD2-CD1 3.85Å; L38-L71 HydrophobicContact CB-CD2 4.1Å; L38-L71 HydrophobicContact CD1-CD1 4.04Å; L38-L71 HydrophobicContact CD1-CD2 4.24Å; L38-D73 WeakPolarHBondContact CB-O 3.33Å; L38-D73 PolarHBondContact N-O 3.16Å; L38-I74 HydrophobicContact CD2-CB 4.29Å; L38-I74 HydrophobicContact CD2-CG2 4.45Å; L38-A76 HydrophobicContact CB-CB 4.41Å; L38-A76 HydrophobicContact CD2-CB 4.47Å; L38-A76 HydrophobicContact CG-CB 4.32Å; L38-A76 WeakPolarHBondContact O-CB 3.48Å; L38-I77 HydrophobicContact CD2-CB 3.76Å; L38-I77 HydrophobicContact CD2-CG1 4.08Å
39	N	94.5	Very high	83.2	Confident	68 Å²	68	93.7 Å²	93.7	36%	0.364	48%	0.481	S	S	.	.			trans	-114.8	169.9	177	72.9	40.1	0	0	0	111.4	P37 E41 I42 I43	P37-N39 PolarHBondContact O-N 3.32Å; N39-E41 VanDerWaalsContact C-N 3.3Å; N39-E41 PolarHBondContact O-N 2.98Å; N39-E41 WeakPolarHBondContact OD1-CB 3.49Å; N39-E41 PolarHBondContact OD1-N 3.01Å; N39-I42 PolarHBondContact O-N 2.99Å; N39-I42 WeakPolarHBondContact OD1-CG1 3.41Å; N39-I42 PolarHBondContact OD1-N 3.3Å; N39-I43 WeakPolarHBondContact O-CG1 3.23Å; N39-I43 PolarHBondContact O-N 3.05Å; N39-I43 VanDerWaalsContact O-N 3.15Å
40	K	94	Very high	85.6	Confident	147 Å²	147	89.2 Å²	89.2	64%	0.639	46%	0.463	S	S	*	.	H	α-helix	trans	-63.1	-33.6	-175.7	-171.6	177.5	178.5	-178.5	0	113.4	I43 I44	K40-I43 PolarHBondContact O-N 3.32Å; K40-I44 HydrophobicContact CG-CD1 3.94Å; K40-I44 HydrophobicContact CG-CG1 4.45Å; K40-I44 VanDerWaalsContact O-CG1 3.26Å; K40-I44 WeakPolarHBondContact O-CG1 3.22Å; K40-I44 PolarHBondContact O-N 3.06Å
41	E	95.3	Very high	87.6	Confident	144 Å²	144	87.6 Å²	87.6	67%	0.673	45%	0.446	S	S	*	.	H	α-helix	trans	-67	-49.5	-179.5	-64.2	171.4	178.2	0	0	110.2	N39 I43 I44 E45	N39-E41 VanDerWaalsContact C-N 3.3Å; N39-E41 PolarHBondContact O-N 2.98Å; N39-E41 WeakPolarHBondContact OD1-CB 3.49Å; N39-E41 PolarHBondContact OD1-N 3.01Å; E41-I43 PolarHBondContact O-N 3.47Å; E41-I44 PolarHBondContact O-N 2.72Å; E41-I44 VanDerWaalsContact O-N 3.12Å; E41-E45 WeakPolarHBondContact O-CG 3.45Å; E41-E45 PolarHBondContact O-N 3.45Å; E41-E45 VanDerWaalsContact O-N 3.09Å
42	I	95.5	Very high	89.3	Confident	33 Å²	33	86.9 Å²	86.9	17%	0.169	44%	0.438	C	S	.	.	H	α-helix	trans	-56.4	-40.4	175.7	-66	174.2	0	0	0	110.9	L38 N39 G46 L66 R69	L38-I42 HydrophobicContact CD1-CB 4.04Å; L38-I42 HydrophobicContact CD1-CG2 3.5Å; L38-I42 VanDerWaalsContact CD1-CG2 3.5Å; N39-I42 PolarHBondContact O-N 2.99Å; N39-I42 WeakPolarHBondContact OD1-CG1 3.41Å; N39-I42 PolarHBondContact OD1-N 3.3Å; I42-G46 PolarHBondContact O-N 3.43Å; I42-L66 HydrophobicContact CG2-CD2 3.86Å; I42-R69 HydrophobicContact CG2-CG 4.26Å; I42-R69 PolarHBondContact O-NH1 3.3Å; I42-R69 VanDerWaalsContact O-NH1 3.1Å
43	I	95.6	Very high	90.5	Very high	1 Å²	1	78.5 Å²	78.5	1%	0.005	40%	0.403	C	S	.	.	H	α-helix	trans	-66	-49.6	176.6	-64.2	169.3	0	0	0	111.1	L38 N39 K40 E41 E45 G46 L47 L64 A76 Y80	L38-I43 HydrophobicContact CD1-CD1 4.39Å; L38-I43 HydrophobicContact CD1-CG1 3.64Å; L38-I43 HydrophobicContact CD2-CD1 3.86Å; L38-I43 HydrophobicContact CD2-CG1 3.82Å; L38-I43 HydrophobicContact CG-CD1 3.87Å; L38-I43 HydrophobicContact CG-CG1 3.69Å; N39-I43 WeakPolarHBondContact O-CG1 3.23Å; N39-I43 PolarHBondContact O-N 3.05Å; N39-I43 VanDerWaalsContact O-N 3.15Å; K40-I43 PolarHBondContact O-N 3.32Å; E41-I43 PolarHBondContact O-N 3.47Å; I43-E45 PolarHBondContact O-N 3.31Å; I43-G46 PolarHBondContact O-N 2.97Å; I43-L47 HydrophobicContact CG2-CD1 3.87Å; I43-L47 HydrophobicContact CG2-CD2 4.37Å; I43-L47 HydrophobicContact CG2-CG 3.92Å; I43-L47 WeakPolarHBondContact O-CG 3.34Å; I43-L47 PolarHBondContact O-N 2.8Å; I43-L64 HydrophobicContact CG2-CD1 4.31Å; I43-L64 HydrophobicContact CG2-CD2 4.35Å; I43-A76 HydrophobicContact CD1-CB 4.09Å; I43-Y80 HydrophobicContact CD1-CD2 4.27Å; I43-Y80 HydrophobicContact CD1-CE2 3.55Å; I43-Y80 HydrophobicContact CG2-CD1 4.24Å; I43-Y80 HydrophobicContact CG2-CD2 4.48Å; I43-Y80 HydrophobicContact CG2-CE1 3.67Å; I43-Y80 HydrophobicContact CG2-CE2 3.96Å
44	I	94.4	Very high	90.8	Very high	104 Å²	104	76 Å²	76	53%	0.533	41%	0.412	S	S	.	.	H	α-helix	trans	-57.1	-40.5	-178	-72.6	165.8	0	0	0	111	K40 E41 G46	K40-I44 HydrophobicContact CG-CD1 3.94Å; K40-I44 HydrophobicContact CG-CG1 4.45Å; K40-I44 VanDerWaalsContact O-CG1 3.26Å; K40-I44 WeakPolarHBondContact O-CG1 3.22Å; K40-I44 PolarHBondContact O-N 3.06Å; E41-I44 PolarHBondContact O-N 2.72Å; E41-I44 VanDerWaalsContact O-N 3.12Å; I44-G46 VanDerWaalsContact C-N 3.29Å; I44-G46 PolarHBondContact O-N 3.19Å
45	E	96.1	Very high	90.7	Very high	135 Å²	135	76.2 Å²	76.2	63%	0.631	41%	0.411	S	S	*	.	H	α-helix	trans	-63.1	-33.9	175.9	-69.1	176.7	178.3	0	0	113.5	E41 I43 R69	E41-E45 WeakPolarHBondContact O-CG 3.45Å; E41-E45 PolarHBondContact O-N 3.45Å; E41-E45 VanDerWaalsContact O-N 3.09Å; I43-E45 PolarHBondContact O-N 3.31Å; E45-R69 IonicContact OE2-CZ 3.92Å; E45-R69 IonicContact OE2-NH1 3.11Å; E45-R69 IonicContact OE2-NH2 3.47Å; E45-R69 PolarHBondContact OE2-NH2 3.39Å
46	G	96.1	Very high	89.5	Confident	7 Å²	7	81.1 Å²	81.1	7%	0.072	43%	0.425	C	S	.	.	H	α-helix	trans	-87	-16.1	-177.1	0	0	0	0	0	114.7	I42 I43 I44 L64 D65	I42-G46 PolarHBondContact O-N 3.43Å; I43-G46 PolarHBondContact O-N 2.97Å; I44-G46 VanDerWaalsContact C-N 3.29Å; I44-G46 PolarHBondContact O-N 3.19Å; G46-L64 WeakPolarHBondContact O-CA 3.39Å; G46-D65 WeakPolarHBondContact CA-O 3.5Å; G46-D65 PolarHBondContact O-N 3.07Å
47	L	96.8	Very high	88.4	Confident	32 Å²	32	85 Å²	85	17%	0.168	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	134.1	-176.7	-75.7	173	0	0	0	112.2	I43 F61 K63 L64 Y80 I83	I43-L47 HydrophobicContact CG2-CD1 3.87Å; I43-L47 HydrophobicContact CG2-CD2 4.37Å; I43-L47 HydrophobicContact CG2-CG 3.92Å; I43-L47 WeakPolarHBondContact O-CG 3.34Å; I43-L47 PolarHBondContact O-N 2.8Å; L47-F61 HydrophobicContact CB-CB 4.16Å; L47-F61 HydrophobicContact CB-CD2 4.17Å; L47-F61 HydrophobicContact CB-CG 4.04Å; L47-F61 HydrophobicContact CD1-CD2 4.12Å; L47-F61 HydrophobicContact CD2-CB 3.85Å; L47-F61 HydrophobicContact CG-CB 4.42Å; L47-K63 WeakPolarHBondContact CA-O 3.36Å; L47-L64 HydrophobicContact CD2-CB 4.23Å; L47-L64 HydrophobicContact CD2-CD1 4.07Å; L47-L64 HydrophobicContact CD2-CD2 4.36Å; L47-L64 HydrophobicContact CD2-CG 4.46Å; L47-L64 HydrophobicContact CG-CD1 4.22Å; L47-Y80 HydrophobicContact CD1-CD1 4.31Å; L47-Y80 HydrophobicContact CD1-CE1 3.87Å; L47-Y80 HydrophobicContact CD2-CD1 4.34Å; L47-I83 HydrophobicContact CD2-CD1 3.79Å
48	S	96	Very high	87.9	Confident	40 Å²	40	86.2 Å²	86.2	28%	0.28	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	171.8	177	59.4	0	0	0	0	112.1	I62 K63	S48-I62 PolarHBondContact O-N 2.71Å; S48-K63 PolarHBondContact N-O 3.17Å; S48-K63 PolarHBondContact O-N 3.46Å; S48-K63 VanDerWaalsContact O-N 3.08Å; S48-K63 WeakPolarHBondContact OG-CB 3.33Å; S48-K63 WeakPolarHBondContact OG-CD 3.43Å; S48-K63 WeakPolarHBondContact OG-CG 3.32Å
49	L	93	Very high	87.5	Confident	99 Å²	99	90.8 Å²	90.8	52%	0.518	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	58.7	85.2	-177.6	-56.5	-177.6	0	0	0	113.3	F61 I62 K63	L49-F61 WeakPolarHBondContact O-CA 3.37Å; L49-I62 HydrophobicContact CB-CG1 3.84Å; L49-I62 WeakPolarHBondContact O-CG1 3.47Å; L49-I62 PolarHBondContact O-N 2.85Å; L49-K63 HydrophobicContact CB-CB 4.19Å; L49-K63 HydrophobicContact CD1-CB 3.89Å; L49-K63 HydrophobicContact CD1-CD 3.91Å; L49-K63 HydrophobicContact CG-CB 4.07Å; L49-K63 HydrophobicContact CG-CD 4.32Å
50	L	91.7	Very high	87.4	Confident	98 Å²	98	88.2 Å²	88.2	51%	0.513	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	127.2	174.3	-168.7	70.5	0	0	0	110.2	H59 F61	L50-H59 HydrophobicContact CD1-CB 3.72Å; L50-H59 HydrophobicContact CD2-CB 4.16Å; L50-H59 HydrophobicContact CG-CB 3.89Å; L50-F61 HydrophobicContact CB-CD1 4.14Å; L50-F61 HydrophobicContact CB-CE1 3.97Å; L50-F61 HydrophobicContact CD1-CD1 4.13Å; L50-F61 HydrophobicContact CD1-CD2 4.3Å; L50-F61 HydrophobicContact CD1-CE1 4.06Å; L50-F61 HydrophobicContact CD1-CE2 4.22Å; L50-F61 HydrophobicContact CD1-CG 4.27Å; L50-F61 HydrophobicContact CD1-CZ 4.11Å
51	C	87.2	Confident	87.4	Confident	50 Å²	50	85.6 Å²	85.6	34%	0.338	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	153.1	179.2	-71.4	0	0	0	0	110.9	H59 A60 I62	C51-H59 CarbonylContact O-C 3.55Å; C51-H59 VanDerWaalsContact O-CA 3.25Å; C51-H59 WeakPolarHBondContact O-CA 3.36Å; C51-A60 PolarHBondContact N-O 3.19Å; C51-A60 PolarHBondContact O-N 3.17Å; C51-I62 HydrophobicContact CB-CD1 4.43Å; C51-I62 HydrophobicContact CB-CG2 3.98Å; C51-I62 VanDerWaalsContact SG-CD1 3.58Å
52	Q	84.1	Confident	87.4	Confident	143 Å²	143	80.3 Å²	80.3	67%	0.668	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.3	131.7	170.9	-73.1	178.8	1.6	0	0	109.7	H59	Q52-H59 WeakPolarHBondContact CG-NE2 3.24Å
53	T	80.9	Confident	87.6	Confident	23 Å²	23	82.8 Å²	82.8	14%	0.141	43%	0.431	C	S	.	.			trans	-77.7	166.5	170.6	72.6	0	0	0	0	110	K55 E58 A60	T53-K55 CarbonylContact O-C 3.54Å; T53-K55 PolarHBondContact O-N 3.4Å; T53-K55 PolarHBondContact OG1-O 3.17Å; T53-E58 HydrophobicContact CG2-CB 4.33Å; T53-E58 WeakPolarHBondContact CG2-O 3.14Å; T53-E58 PolarHBondContact N-O 3.27Å; T53-E58 WeakPolarHBondContact OG1-CB 3.29Å; T53-E58 PolarHBondContact OG1-O 3.45Å; T53-A60 HydrophobicContact CG2-CB 3.74Å
54	G	70.1	Confident	87.7	Confident	88 Å²	88	82.8 Å²	82.8	91%	0.907	43%	0.431	S	S	*	.	S	Bend	trans	-60.6	-14	179	0	0	0	0	0	114.6
55	K	74.3	Confident	87.9	Confident	141 Å²	141	80 Å²	80	61%	0.613	42%	0.418	S	S	*	.	S	Bend	trans	-89.2	114.7	168	-65.5	178	-175.5	172	0	108	T53 L57 E58	T53-K55 CarbonylContact O-C 3.54Å; T53-K55 PolarHBondContact O-N 3.4Å; T53-K55 PolarHBondContact OG1-O 3.17Å; K55-L57 PolarHBondContact O-N 3.39Å; K55-E58 PolarHBondContact O-N 3.21Å
56	K	61.6	Low	88	Confident	192 Å²	192	73.6 Å²	73.6	84%	0.835	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	0.9	-164	-65.8	179.8	176.5	178.7	0	118.8
57	L	68.4	Low	88	Confident	159 Å²	159	77.6 Å²	77.6	83%	0.832	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.6	-6.5	-179	-65.4	172.2	0	0	0	114.5	K55	K55-L57 PolarHBondContact O-N 3.39Å
58	E	84.1	Confident	88.1	Confident	98 Å²	98	80.8 Å²	80.8	46%	0.458	42%	0.42	S	S	.	.			trans	-94.3	134.1	-178.9	-77.4	170.7	-156.1	0	0	110.1	T53 K55	T53-E58 HydrophobicContact CG2-CB 4.33Å; T53-E58 WeakPolarHBondContact CG2-O 3.14Å; T53-E58 PolarHBondContact N-O 3.27Å; T53-E58 WeakPolarHBondContact OG1-CB 3.29Å; T53-E58 PolarHBondContact OG1-O 3.45Å; K55-E58 PolarHBondContact O-N 3.21Å
59	H	87.6	Confident	88.1	Confident	104 Å²	104	82.5 Å²	82.5	48%	0.481	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	144.3	174.6	-62.9	76.2	0	0	0	109.9	L50 C51 Q52	L50-H59 HydrophobicContact CD1-CB 3.72Å; L50-H59 HydrophobicContact CD2-CB 4.16Å; L50-H59 HydrophobicContact CG-CB 3.89Å; C51-H59 CarbonylContact O-C 3.55Å; C51-H59 VanDerWaalsContact O-CA 3.25Å; C51-H59 WeakPolarHBondContact O-CA 3.36Å; Q52-H59 WeakPolarHBondContact CG-NE2 3.24Å
60	A	91.9	Very high	88.3	Confident	15 Å²	15	79.4 Å²	79.4	12%	0.124	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	146.8	173.6	0	0	0	0	0	110.3	C51 T53 H82	C51-A60 PolarHBondContact N-O 3.19Å; C51-A60 PolarHBondContact O-N 3.17Å; T53-A60 HydrophobicContact CG2-CB 3.74Å; A60-H82 HydrophobicContact CB-CB 3.46Å; A60-H82 VanDerWaalsContact CB-CB 3.46Å
61	F	94.4	Very high	88.5	Confident	92 Å²	92	74.9 Å²	74.9	40%	0.404	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	136.6	166.6	-68.4	-73.1	0	0	0	109	L47 L49 L50	L47-F61 HydrophobicContact CB-CB 4.16Å; L47-F61 HydrophobicContact CB-CD2 4.17Å; L47-F61 HydrophobicContact CB-CG 4.04Å; L47-F61 HydrophobicContact CD1-CD2 4.12Å; L47-F61 HydrophobicContact CD2-CB 3.85Å; L47-F61 HydrophobicContact CG-CB 4.42Å; L49-F61 WeakPolarHBondContact O-CA 3.37Å; L50-F61 HydrophobicContact CB-CD1 4.14Å; L50-F61 HydrophobicContact CB-CE1 3.97Å; L50-F61 HydrophobicContact CD1-CD1 4.13Å; L50-F61 HydrophobicContact CD1-CD2 4.3Å; L50-F61 HydrophobicContact CD1-CE1 4.06Å; L50-F61 HydrophobicContact CD1-CE2 4.22Å; L50-F61 HydrophobicContact CD1-CG 4.27Å; L50-F61 HydrophobicContact CD1-CZ 4.11Å
62	I	96.8	Very high	89	Confident	33 Å²	33	74 Å²	74	17%	0.169	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	-7.2	-176.4	66.4	165	0	0	0	113.3	S48 L49 C51 R84 F85	S48-I62 PolarHBondContact O-N 2.71Å; L49-I62 HydrophobicContact CB-CG1 3.84Å; L49-I62 WeakPolarHBondContact O-CG1 3.47Å; L49-I62 PolarHBondContact O-N 2.85Å; C51-I62 HydrophobicContact CB-CD1 4.43Å; C51-I62 HydrophobicContact CB-CG2 3.98Å; C51-I62 VanDerWaalsContact SG-CD1 3.58Å; I62-R84 HydrophobicContact CB-CB 4.31Å; I62-R84 HydrophobicContact CB-CG 3.96Å; I62-R84 HydrophobicContact CG2-CG 4.3Å; I62-R84 PolarHBondContact O-N 3.34Å; I62-F85 HydrophobicContact CD1-CD2 4.38Å; I62-F85 HydrophobicContact CD1-CE2 4.06Å; I62-F85 PolarHBondContact O-N 3.29Å
63	K	98.2	Very high	89.5	Confident	85 Å²	85	70 Å²	70	37%	0.37	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	137.4	177.1	179	176	177.4	-175.9	0	110.5	L47 S48 L49 F85	L47-K63 WeakPolarHBondContact CA-O 3.36Å; S48-K63 PolarHBondContact N-O 3.17Å; S48-K63 PolarHBondContact O-N 3.46Å; S48-K63 VanDerWaalsContact O-N 3.08Å; S48-K63 WeakPolarHBondContact OG-CB 3.33Å; S48-K63 WeakPolarHBondContact OG-CD 3.43Å; S48-K63 WeakPolarHBondContact OG-CG 3.32Å; L49-K63 HydrophobicContact CB-CB 4.19Å; L49-K63 HydrophobicContact CD1-CB 3.89Å; L49-K63 HydrophobicContact CD1-CD 3.91Å; L49-K63 HydrophobicContact CG-CB 4.07Å; L49-K63 HydrophobicContact CG-CD 4.32Å; K63-F85 WeakPolarHBondContact CA-O 3.09Å; K63-F85 HydrophobicContact CB-CB 4.17Å; K63-F85 HydrophobicContact CG-CB 4.04Å
64	L	98.3	Very high	90.3	Very high	1 Å²	1	69 Å²	69	1%	0.005	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	118.7	177.7	178.3	50.2	0	0	0	109.6	I43 G46 L47 L66 I77 I83 F85 L86 D87	I43-L64 HydrophobicContact CG2-CD1 4.31Å; I43-L64 HydrophobicContact CG2-CD2 4.35Å; G46-L64 WeakPolarHBondContact O-CA 3.39Å; L47-L64 HydrophobicContact CD2-CB 4.23Å; L47-L64 HydrophobicContact CD2-CD1 4.07Å; L47-L64 HydrophobicContact CD2-CD2 4.36Å; L47-L64 HydrophobicContact CD2-CG 4.46Å; L47-L64 HydrophobicContact CG-CD1 4.22Å; L64-L66 HydrophobicContact CD1-CD1 4.25Å; L64-L66 HydrophobicContact CD1-CD2 3.85Å; L64-L66 HydrophobicContact CD1-CG 3.78Å; L64-L66 HydrophobicContact CD2-CD1 3.97Å; L64-L66 HydrophobicContact CD2-CG 4.39Å; L64-L66 HydrophobicContact CG-CD1 3.93Å; L64-L66 HydrophobicContact CG-CD2 4.42Å; L64-L66 HydrophobicContact CG-CG 3.82Å; L64-I77 HydrophobicContact CD2-CD1 3.73Å; L64-I77 HydrophobicContact CD2-CG1 3.8Å; L64-I83 HydrophobicContact CB-CD1 3.73Å; L64-I83 HydrophobicContact CB-CG1 4.25Å; L64-I83 HydrophobicContact CB-CG2 4.3Å; L64-I83 HydrophobicContact CD2-CD1 4.44Å; L64-I83 HydrophobicContact CD2-CG1 4.37Å; L64-F85 PolarHBondContact N-O 3.3Å; L64-L86 HydrophobicContact CB-CD1 3.99Å; L64-L86 HydrophobicContact CD2-CD1 4.19Å; L64-L86 HydrophobicContact CG-CD1 3.95Å; L64-L86 WeakPolarHBondContact O-CA 3.25Å; L64-D87 PolarHBondContact O-N 3.28Å
65	D	98.4	Very high	91.5	Very high	46 Å²	46	69.8 Å²	69.8	25%	0.246	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	114.7	174.3	-172.1	-12.7	0	0	0	109.1	G46 K67	G46-D65 WeakPolarHBondContact CA-O 3.5Å; G46-D65 PolarHBondContact O-N 3.07Å; D65-K67 WeakPolarHBondContact OD1-CB 3.15Å; D65-K67 WeakPolarHBondContact OD1-CD 3.24Å; D65-K67 WeakPolarHBondContact OD1-CG 3.43Å; D65-K67 PolarHBondContact OD1-N 2.98Å; D65-K67 VanDerWaalsContact OD1-N 3.1Å; D65-K67 IonicContact OD2-NZ 3.26Å
66	L	97.9	Very high	92.5	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	32%	0.323	C	S	.	.			trans	-123.4	25.5	-179.5	-66.7	176.2	0	0	0	111.2	L38 I42 L64 R69 L71 I77 D87 L88 N91	L38-L66 HydrophobicContact CD1-CD1 3.93Å; L38-L66 HydrophobicContact CD1-CD2 3.82Å; L38-L66 HydrophobicContact CD2-CD1 3.85Å; I42-L66 HydrophobicContact CG2-CD2 3.86Å; L64-L66 HydrophobicContact CD1-CD1 4.25Å; L64-L66 HydrophobicContact CD1-CD2 3.85Å; L64-L66 HydrophobicContact CD1-CG 3.78Å; L64-L66 HydrophobicContact CD2-CD1 3.97Å; L64-L66 HydrophobicContact CD2-CG 4.39Å; L64-L66 HydrophobicContact CG-CD1 3.93Å; L64-L66 HydrophobicContact CG-CD2 4.42Å; L64-L66 HydrophobicContact CG-CG 3.82Å; L66-R69 WeakPolarHBondContact O-CG 3.23Å; L66-L71 HydrophobicContact CB-CD1 4.15Å; L66-I77 HydrophobicContact CD1-CD1 4.03Å; L66-D87 WeakPolarHBondContact CA-O 3.42Å; L66-D87 PolarHBondContact N-O 3.44Å; L66-L88 HydrophobicContact CB-CD2 4.04Å; L66-L88 HydrophobicContact CD1-CD2 3.83Å; L66-N91 PolarHBondContact O-ND2 3.16Å
67	K	97.5	Very high	94.1	Very high	91 Å²	91	55.7 Å²	55.7	40%	0.396	28%	0.284	S	S	.	.			trans	-67.4	152	179.4	75.6	-170.7	179.1	-160.8	0	112.6	D65 R69 S89	D65-K67 WeakPolarHBondContact OD1-CB 3.15Å; D65-K67 WeakPolarHBondContact OD1-CD 3.24Å; D65-K67 WeakPolarHBondContact OD1-CG 3.43Å; D65-K67 PolarHBondContact OD1-N 2.98Å; D65-K67 VanDerWaalsContact OD1-N 3.1Å; D65-K67 IonicContact OD2-NZ 3.26Å; K67-R69 WeakPolarHBondContact O-CG 3.3Å; K67-R69 PolarHBondContact O-N 2.93Å; K67-S89 WeakPolarHBondContact CA-O 3.42Å; K67-S89 WeakPolarHBondContact CB-O 3.49Å
68	D	97.3	Very high	95.4	Very high	99 Å²	99	49.9 Å²	49.9	53%	0.529	26%	0.257	S	S	.	.	S	Bend	trans	58.6	44.5	170.9	-55.7	-59.6	0	0	0	112.8	S89 N90	D68-S89 PolarHBondContact N-O 3.31Å; D68-S89 VanDerWaalsContact N-O 3.15Å; D68-N90 WeakPolarHBondContact CA-O 3.48Å; D68-N90 PolarHBondContact N-O 3.24Å; D68-N90 WeakPolarHBondContact OD1-CB 3.37Å; D68-N90 VanDerWaalsContact OD1-CG 3.22Å; D68-N90 PolarHBondContact OD1-ND2 3.38Å
69	R	96.5	Very high	95.8	Very high	75 Å²	75	49.5 Å²	49.5	28%	0.283	26%	0.264	S	S	.	.	S	Bend	trans	-117.4	4.1	-176.2	-65	-62.9	176.1	89.2	-30	113.8	I42 E45 L66 K67 L71 N91	I42-R69 HydrophobicContact CG2-CG 4.26Å; I42-R69 PolarHBondContact O-NH1 3.3Å; I42-R69 VanDerWaalsContact O-NH1 3.1Å; E45-R69 IonicContact OE2-CZ 3.92Å; E45-R69 IonicContact OE2-NH1 3.11Å; E45-R69 IonicContact OE2-NH2 3.47Å; E45-R69 PolarHBondContact OE2-NH2 3.39Å; L66-R69 WeakPolarHBondContact O-CG 3.23Å; K67-R69 WeakPolarHBondContact O-CG 3.3Å; K67-R69 PolarHBondContact O-N 2.93Å; R69-L71 HydrophobicContact CB-CD1 3.83Å; R69-L71 HydrophobicContact CB-CD2 4.23Å; R69-L71 HydrophobicContact CB-CG 3.61Å; R69-L71 PolarHBondContact O-N 2.95Å; R69-L71 VanDerWaalsContact O-N 3.13Å; R69-N91 VanDerWaalsContact C-OD1 3.27Å; R69-N91 WeakPolarHBondContact CA-OD1 3.41Å; R69-N91 PolarHBondContact N-OD1 2.72Å
70	A	96.6	Very high	96.1	Very high	35 Å²	35	47.2 Å²	47.2	29%	0.289	25%	0.252	S	S	.	.			trans	54.4	24.5	-176	0	0	0	0	0	113.9	F36 N91 Y92	F36-A70 WeakPolarHBondContact CB-O 3.33Å; F36-A70 WeakPolarHBondContact CD2-O 3.39Å; F36-A70 WeakPolarHBondContact CG-O 3.49Å; A70-N91 PolarHBondContact N-OD1 3.15Å; A70-Y92 HydrophobicContact CB-CD2 4.17Å; A70-Y92 HydrophobicContact CB-CE2 3.79Å
71	L	97.2	Very high	96.2	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.01	27%	0.266	C	S	.	.			trans	-67.6	137.4	-173.2	-63.1	168.3	0	0	0	111.4	F36 L38 L66 R69 I74 N91 Y92 I93	F36-L71 WeakPolarHBondContact O-CA 3.32Å; L38-L71 HydrophobicContact CB-CD2 4.1Å; L38-L71 HydrophobicContact CD1-CD1 4.04Å; L38-L71 HydrophobicContact CD1-CD2 4.24Å; L66-L71 HydrophobicContact CB-CD1 4.15Å; R69-L71 HydrophobicContact CB-CD1 3.83Å; R69-L71 HydrophobicContact CB-CD2 4.23Å; R69-L71 HydrophobicContact CB-CG 3.61Å; R69-L71 PolarHBondContact O-N 2.95Å; R69-L71 VanDerWaalsContact O-N 3.13Å; L71-I74 HydrophobicContact CB-CG2 4.48Å; L71-I74 HydrophobicContact CD1-CG2 4.41Å; L71-N91 HydrophobicContact CB-CB 4.17Å; L71-N91 PolarHBondContact N-OD1 3.08Å; L71-Y92 CarbonylContact O-C 3.27Å; L71-Y92 WeakPolarHBondContact O-CA 3.25Å; L71-Y92 PolarHBondContact O-N 3.35Å; L71-I93 HydrophobicContact CB-CD1 4.45Å; L71-I93 HydrophobicContact CB-CG1 4.41Å; L71-I93 PolarHBondContact O-N 2.94Å
72	T	96.1	Very high	96.2	Very high	33 Å²	33	49.1 Å²	49.1	20%	0.202	26%	0.261	C	S	.	.	S	Bend	trans	-112.6	-28.3	169.7	58	0	0	0	0	111.8	V35 F36	V35-T72 WeakPolarHBondContact CA-OG1 3.4Å; V35-T72 WeakPolarHBondContact CG1-OG1 3.41Å; F36-T72 HydrophobicContact CD2-CG2 4.5Å; F36-T72 PolarHBondContact N-OG1 2.88Å; F36-T72 PolarHBondContact O-N 3.46Å; F36-T72 VanDerWaalsContact O-N 3.08Å
73	D	95.7	Very high	96.2	Very high	59 Å²	59	47.7 Å²	47.7	32%	0.316	25%	0.254	S	S	.	.	B	Isolated β-bridge	trans	-126.7	128.4	-177	179.8	-12	0	0	0	109.3	V35 P37 L38 I75	V35-D73 HydrophobicContact CG1-CB 4.23Å; P37-D73 HydrophobicContact CB-CB 4.46Å; L38-D73 WeakPolarHBondContact CB-O 3.33Å; L38-D73 PolarHBondContact N-O 3.16Å; D73-I75 VanDerWaalsContact OD1-CB 3.27Å; D73-I75 WeakPolarHBondContact OD1-CB 3.22Å; D73-I75 VanDerWaalsContact OD1-CG2 3.29Å; D73-I75 WeakPolarHBondContact OD1-CG2 3.42Å; D73-I75 PolarHBondContact OD1-N 3.45Å
74	I	97.1	Very high	96.2	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.01	24%	0.244	C	C	.	.			trans	-118.7	17.6	-178.9	59.6	170.7	0	0	0	113.1	L38 L71 A76 I77 L88 I93 P98 L99	L38-I74 HydrophobicContact CD2-CB 4.29Å; L38-I74 HydrophobicContact CD2-CG2 4.45Å; L71-I74 HydrophobicContact CB-CG2 4.48Å; L71-I74 HydrophobicContact CD1-CG2 4.41Å; I74-A76 PolarHBondContact O-N 2.59Å; I74-I77 HydrophobicContact CB-CG2 4.35Å; I74-I77 VanDerWaalsContact O-CB 3.24Å; I74-I77 WeakPolarHBondContact O-CB 3.47Å; I74-I77 WeakPolarHBondContact O-CG2 3.27Å; I74-I77 PolarHBondContact O-N 2.82Å; I74-L88 HydrophobicContact CD1-CD1 3.98Å; I74-L88 HydrophobicContact CG2-CD2 4.27Å; I74-I93 HydrophobicContact CD1-CG2 4.28Å; I74-I93 HydrophobicContact CG2-CD1 3.66Å; I74-I93 HydrophobicContact CG2-CG1 4.1Å; I74-P98 HydrophobicContact CG1-CB 4.02Å; I74-P98 HydrophobicContact CG1-CG 3.91Å; I74-L99 HydrophobicContact CD1-CD2 3.97Å; I74-L99 HydrophobicContact CD1-CG 4.12Å
75	I	95.9	Very high	96.2	Very high	104 Å²	104	48.9 Å²	48.9	53%	0.533	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-53.4	-33.5	-175.7	-165.2	62.8	0	0	0	113.6	D73 I77 S78 P98	D73-I75 VanDerWaalsContact OD1-CB 3.27Å; D73-I75 WeakPolarHBondContact OD1-CB 3.22Å; D73-I75 VanDerWaalsContact OD1-CG2 3.29Å; D73-I75 WeakPolarHBondContact OD1-CG2 3.42Å; D73-I75 PolarHBondContact OD1-N 3.45Å; I75-I77 PolarHBondContact O-N 2.8Å; I75-I77 VanDerWaalsContact O-N 3.11Å; I75-S78 PolarHBondContact O-N 3.29Å; I75-S78 PolarHBondContact O-OG 2.74Å; I75-P98 HydrophobicContact CD1-CB 4.27Å; I75-P98 HydrophobicContact CD1-CG 4.09Å
76	A	95.4	Very high	96.2	Very high	36 Å²	36	46.7 Å²	46.7	30%	0.298	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-61.2	-22	178.4	0	0	0	0	0	113.4	L38 I43 I74 S78 S79	L38-A76 HydrophobicContact CB-CB 4.41Å; L38-A76 HydrophobicContact CD2-CB 4.47Å; L38-A76 HydrophobicContact CG-CB 4.32Å; L38-A76 WeakPolarHBondContact O-CB 3.48Å; I43-A76 HydrophobicContact CD1-CB 4.09Å; I74-A76 PolarHBondContact O-N 2.59Å; A76-S78 VanDerWaalsContact C-N 3.29Å; A76-S78 PolarHBondContact O-N 3.46Å; A76-S79 PolarHBondContact O-OG 3.17Å
77	I	95.6	Very high	96.3	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-72.7	-20.6	-177.7	-143.2	-172.9	0	0	0	112.8	L38 L64 L66 I74 I75 S79 Y80 L86 P98 L99 M102	L38-I77 HydrophobicContact CD2-CB 3.76Å; L38-I77 HydrophobicContact CD2-CG1 4.08Å; L64-I77 HydrophobicContact CD2-CD1 3.73Å; L64-I77 HydrophobicContact CD2-CG1 3.8Å; L66-I77 HydrophobicContact CD1-CD1 4.03Å; I74-I77 HydrophobicContact CB-CG2 4.35Å; I74-I77 VanDerWaalsContact O-CB 3.24Å; I74-I77 WeakPolarHBondContact O-CB 3.47Å; I74-I77 WeakPolarHBondContact O-CG2 3.27Å; I74-I77 PolarHBondContact O-N 2.82Å; I75-I77 PolarHBondContact O-N 2.8Å; I75-I77 VanDerWaalsContact O-N 3.11Å; I77-S79 PolarHBondContact O-N 3.02Å; I77-Y80 WeakPolarHBondContact O-CB 3.48Å; I77-Y80 PolarHBondContact O-N 3.45Å; I77-L86 HydrophobicContact CD1-CD1 3.8Å; I77-L86 HydrophobicContact CD1-CD2 3.81Å; I77-L86 HydrophobicContact CD1-CG 4.5Å; I77-P98 HydrophobicContact CG2-CB 4.22Å; I77-L99 HydrophobicContact CD1-CD2 4.05Å; I77-L99 HydrophobicContact CG2-CD2 3.52Å; I77-M102 HydrophobicContact CB-CE 4.14Å; I77-M102 HydrophobicContact CD1-CE 3.76Å; I77-M102 HydrophobicContact CG1-CE 3.58Å; I77-M102 HydrophobicContact CG2-CE 3.87Å; I77-M102 WeakPolarHBondContact O-CE 3.18Å
78	S	94.8	Very high	96.3	Very high	38 Å²	38	43.4 Å²	43.4	27%	0.266	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-60.8	-19	-172.4	-57.7	0	0	0	0	114.5	I75 A76 P98 S101	I75-S78 PolarHBondContact O-N 3.29Å; I75-S78 PolarHBondContact O-OG 2.74Å; A76-S78 VanDerWaalsContact C-N 3.29Å; A76-S78 PolarHBondContact O-N 3.46Å; S78-P98 WeakPolarHBondContact CA-O 3.08Å; S78-P98 WeakPolarHBondContact CB-O 3.45Å; S78-P98 WeakPolarHBondContact OG-CA 3.48Å; S78-P98 WeakPolarHBondContact OG-CB 3.37Å; S78-P98 PolarHBondContact OG-O 2.71Å; S78-S101 PolarHBondContact O-OG 3.3Å
79	S	93.1	Very high	96.4	Very high	89 Å²	89	38.9 Å²	38.9	62%	0.622	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-82.7	-14	176.4	63.4	0	0	0	0	114.1	A76 I77 I81	A76-S79 PolarHBondContact O-OG 3.17Å; I77-S79 PolarHBondContact O-N 3.02Å; S79-I81 VanDerWaalsContact C-N 3.31Å; S79-I81 PolarHBondContact O-N 2.93Å; S79-I81 VanDerWaalsContact O-N 3.13Å
80	Y	93.6	Very high	96.5	Very high	57 Å²	57	38 Å²	38	22%	0.224	21%	0.21	C	C	.	.			trans	-91.7	56	-175.6	-64.2	-96.1	0	0	0	111.8	I43 L47 I77 H82 I83	I43-Y80 HydrophobicContact CD1-CD2 4.27Å; I43-Y80 HydrophobicContact CD1-CE2 3.55Å; I43-Y80 HydrophobicContact CG2-CD1 4.24Å; I43-Y80 HydrophobicContact CG2-CD2 4.48Å; I43-Y80 HydrophobicContact CG2-CE1 3.67Å; I43-Y80 HydrophobicContact CG2-CE2 3.96Å; L47-Y80 HydrophobicContact CD1-CD1 4.31Å; L47-Y80 HydrophobicContact CD1-CE1 3.87Å; L47-Y80 HydrophobicContact CD2-CD1 4.34Å; I77-Y80 WeakPolarHBondContact O-CB 3.48Å; I77-Y80 PolarHBondContact O-N 3.45Å; Y80-H82 PolarHBondContact O-N 3.21Å; Y80-I83 VanDerWaalsContact O-CG1 3.32Å; Y80-I83 WeakPolarHBondContact O-CG1 3.13Å; Y80-I83 PolarHBondContact O-N 3.46Å; Y80-I83 VanDerWaalsContact O-N 3.14Å
81	I	93.8	Very high	96.6	Very high	79 Å²	79	36.6 Å²	36.6	41%	0.405	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-14.1	-172.3	65.6	171.2	0	0	0	115.1	S79 R84	S79-I81 VanDerWaalsContact C-N 3.31Å; S79-I81 PolarHBondContact O-N 2.93Å; S79-I81 VanDerWaalsContact O-N 3.13Å; I81-R84 PolarHBondContact O-NH1 2.74Å
82	H	95.1	Very high	96.6	Very high	68 Å²	68	43.2 Å²	43.2	32%	0.315	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-2.7	-179.2	-65.5	-57.6	0	0	0	113.7	A60 Y80 R84	A60-H82 HydrophobicContact CB-CB 3.46Å; A60-H82 VanDerWaalsContact CB-CB 3.46Å; Y80-H82 PolarHBondContact O-N 3.21Å; H82-R84 VanDerWaalsContact CA-NH1 3.26Å; H82-R84 PolarHBondContact O-NH1 2.81Å; H82-R84 VanDerWaalsContact O-NH1 3.09Å
83	I	96.8	Very high	96.7	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.01	21%	0.214	C	C	.	.			trans	-64.5	137	175.1	-62.3	-58.8	0	0	0	110.9	L47 L64 Y80 L86 M102 L105	L47-I83 HydrophobicContact CD2-CD1 3.79Å; L64-I83 HydrophobicContact CB-CD1 3.73Å; L64-I83 HydrophobicContact CB-CG1 4.25Å; L64-I83 HydrophobicContact CB-CG2 4.3Å; L64-I83 HydrophobicContact CD2-CD1 4.44Å; L64-I83 HydrophobicContact CD2-CG1 4.37Å; Y80-I83 VanDerWaalsContact O-CG1 3.32Å; Y80-I83 WeakPolarHBondContact O-CG1 3.13Å; Y80-I83 PolarHBondContact O-N 3.46Å; Y80-I83 VanDerWaalsContact O-N 3.14Å; I83-L86 HydrophobicContact CG2-CB 3.93Å; I83-M102 HydrophobicContact CB-CE 4.46Å; I83-M102 HydrophobicContact CB-SD 4.26Å; I83-L105 HydrophobicContact CG2-CD2 4.05Å
84	R	97.6	Very high	96.7	Very high	41 Å²	41	42.1 Å²	42.1	16%	0.155	22%	0.222	C	C	.	.			trans	-123.7	-30.5	-179.4	-54.6	-60.9	172.6	-110.7	10.2	111.7	I62 I81 H82 H104 L106 W107	I62-R84 HydrophobicContact CB-CB 4.31Å; I62-R84 HydrophobicContact CB-CG 3.96Å; I62-R84 HydrophobicContact CG2-CG 4.3Å; I62-R84 PolarHBondContact O-N 3.34Å; I81-R84 PolarHBondContact O-NH1 2.74Å; H82-R84 VanDerWaalsContact CA-NH1 3.26Å; H82-R84 PolarHBondContact O-NH1 2.81Å; H82-R84 VanDerWaalsContact O-NH1 3.09Å; R84-H104 WeakPolarHBondContact CD-O 3.09Å; R84-H104 VanDerWaalsContact NH1-CB 3.35Å; R84-H104 VanDerWaalsContact NH2-CB 3.34Å; R84-L106 HydrophobicContact CB-CD1 4.34Å; R84-L106 HydrophobicContact CB-CG 4.36Å; R84-L106 PolarHBondContact O-N 3.31Å; R84-W107 PolarHBondContact O-N 3.45Å
85	F	98.6	Very high	96.7	Very high	71 Å²	71	45.2 Å²	45.2	31%	0.311	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	111.1	178.8	-54.5	-88.2	0	0	0	108.8	I62 K63 L64 L106 W107	I62-F85 HydrophobicContact CD1-CD2 4.38Å; I62-F85 HydrophobicContact CD1-CE2 4.06Å; I62-F85 PolarHBondContact O-N 3.29Å; K63-F85 WeakPolarHBondContact CA-O 3.09Å; K63-F85 HydrophobicContact CB-CB 4.17Å; K63-F85 HydrophobicContact CG-CB 4.04Å; L64-F85 PolarHBondContact N-O 3.3Å; F85-L106 HydrophobicContact CZ-CD1 4.31Å; F85-W107 WeakPolarHBondContact CA-O 3.31Å; F85-W107 HydrophobicContact CD1-CB 3.56Å; F85-W107 HydrophobicContact CD1-CG 4.19Å; F85-W107 HydrophobicContact CE1-CB 4.14Å; F85-W107 HydrophobicContact CG-CB 4.44Å
86	L	98.7	Very high	96.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	120.8	-175.9	178.3	56.2	0	0	0	111	L64 I77 I83 L88 L99 M102 L105 W107 L108 K109	L64-L86 HydrophobicContact CB-CD1 3.99Å; L64-L86 HydrophobicContact CD2-CD1 4.19Å; L64-L86 HydrophobicContact CG-CD1 3.95Å; L64-L86 WeakPolarHBondContact O-CA 3.25Å; I77-L86 HydrophobicContact CD1-CD1 3.8Å; I77-L86 HydrophobicContact CD1-CD2 3.81Å; I77-L86 HydrophobicContact CD1-CG 4.5Å; I83-L86 HydrophobicContact CG2-CB 3.93Å; L86-L88 HydrophobicContact CD1-CD2 4.17Å; L86-L88 HydrophobicContact CD1-CG 4.06Å; L86-L88 HydrophobicContact CD2-CD1 3.95Å; L86-L88 HydrophobicContact CD2-CG 4.21Å; L86-L88 HydrophobicContact CG-CD1 4.2Å; L86-L88 HydrophobicContact CG-CG 3.94Å; L86-L99 HydrophobicContact CD2-CD1 4.03Å; L86-L99 HydrophobicContact CD2-CD2 3.65Å; L86-M102 HydrophobicContact CD2-SD 4.15Å; L86-L105 HydrophobicContact CB-CD2 4.03Å; L86-W107 PolarHBondContact N-O 3.29Å; L86-W107 VanDerWaalsContact O-CZ3 3.23Å; L86-W107 WeakPolarHBondContact O-CZ3 3.41Å; L86-L108 HydrophobicContact CB-CD1 3.96Å; L86-L108 HydrophobicContact CD2-CD1 3.88Å; L86-L108 HydrophobicContact CG-CD1 3.91Å; L86-L108 WeakPolarHBondContact O-CA 3.29Å; L86-K109 PolarHBondContact O-N 2.94Å
87	D	98.8	Very high	96.9	Very high	21 Å²	21	41.3 Å²	41.3	11%	0.112	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	116.4	171	-160.3	-22.3	0	0	0	109.8	L64 L66 S89 W107	L64-D87 PolarHBondContact O-N 3.28Å; L66-D87 WeakPolarHBondContact CA-O 3.42Å; L66-D87 PolarHBondContact N-O 3.44Å; D87-S89 WeakPolarHBondContact OD1-CB 3.35Å; D87-S89 PolarHBondContact OD1-N 3.14Å; D87-S89 PolarHBondContact OD1-OG 3.17Å; D87-W107 HydrophobicContact CB-CH2 4.18Å; D87-W107 HydrophobicContact CB-CZ3 3.87Å
88	L	98.6	Very high	96.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.221	C	C	.	.			trans	-113.8	15	176.5	-69.3	170.4	0	0	0	111.4	L66 I74 L86 N91 I93 L96 L99 L108 K109 V110 N113	L66-L88 HydrophobicContact CB-CD2 4.04Å; L66-L88 HydrophobicContact CD1-CD2 3.83Å; I74-L88 HydrophobicContact CD1-CD1 3.98Å; I74-L88 HydrophobicContact CG2-CD2 4.27Å; L86-L88 HydrophobicContact CD1-CD2 4.17Å; L86-L88 HydrophobicContact CD1-CG 4.06Å; L86-L88 HydrophobicContact CD2-CD1 3.95Å; L86-L88 HydrophobicContact CD2-CG 4.21Å; L86-L88 HydrophobicContact CG-CD1 4.2Å; L86-L88 HydrophobicContact CG-CG 3.94Å; L88-N91 PolarHBondContact O-ND2 3.15Å; L88-I93 HydrophobicContact CB-CD1 3.95Å; L88-I93 HydrophobicContact CD1-CD1 4.26Å; L88-I93 HydrophobicContact CD2-CD1 3.9Å; L88-I93 HydrophobicContact CG-CD1 4.26Å; L88-L96 HydrophobicContact CD1-CD2 4.4Å; L88-L99 HydrophobicContact CD1-CD1 4.05Å; L88-L108 HydrophobicContact CD1-CD1 4.42Å; L88-K109 PolarHBondContact N-O 2.7Å; L88-V110 HydrophobicContact CB-CG1 4.42Å; L88-N113 PolarHBondContact O-ND2 2.94Å
89	S	98.8	Very high	97.1	Very high	4 Å²	4	39.9 Å²	39.9	3%	0.028	21%	0.208	C	C	.	.			trans	-62	155.1	-171.5	-53.9	0	0	0	0	113.3	K67 D68 D87 N91 K109 D111	K67-S89 WeakPolarHBondContact CA-O 3.42Å; K67-S89 WeakPolarHBondContact CB-O 3.49Å; D68-S89 PolarHBondContact N-O 3.31Å; D68-S89 VanDerWaalsContact N-O 3.15Å; D87-S89 WeakPolarHBondContact OD1-CB 3.35Å; D87-S89 PolarHBondContact OD1-N 3.14Å; D87-S89 PolarHBondContact OD1-OG 3.17Å; S89-N91 PolarHBondContact O-ND2 3.11Å; S89-K109 VanDerWaalsContact OG-CD 3.28Å; S89-K109 WeakPolarHBondContact OG-CD 3.08Å; S89-K109 VanDerWaalsContact OG-CE 3.28Å; S89-K109 WeakPolarHBondContact OG-CE 3.1Å; S89-K109 VanDerWaalsContact OG-CG 3.28Å; S89-K109 WeakPolarHBondContact OG-CG 3.32Å; S89-D111 CarbonylContact C-O 3.17Å; S89-D111 WeakPolarHBondContact CA-O 3.46Å
90	N	98.4	Very high	97.2	Very high	58 Å²	58	37.5 Å²	37.5	31%	0.31	19%	0.193	S	C	.	.	S	Bend	trans	57.7	52.9	175.5	-54.1	-31.7	0	0	0	112.7	D68 D111 R112	D68-N90 WeakPolarHBondContact CA-O 3.48Å; D68-N90 PolarHBondContact N-O 3.24Å; D68-N90 WeakPolarHBondContact OD1-CB 3.37Å; D68-N90 VanDerWaalsContact OD1-CG 3.22Å; D68-N90 PolarHBondContact OD1-ND2 3.38Å; N90-D111 PolarHBondContact N-O 3Å; N90-R112 VanDerWaalsContact CA-O 3.31Å; N90-R112 WeakPolarHBondContact CA-O 3.44Å; N90-R112 PolarHBondContact N-O 2.96Å; N90-R112 VanDerWaalsContact OD1-CB 3.25Å; N90-R112 WeakPolarHBondContact OD1-CB 3.35Å; N90-R112 WeakPolarHBondContact OD1-CD 3.45Å
91	N	98.3	Very high	97.3	Very high	5 Å²	5	37 Å²	37	3%	0.027	20%	0.198	C	C	.	.	S	Bend	trans	-132.8	-167.9	173.8	-73.5	-65.1	0	0	0	108.7	L66 R69 A70 L71 L88 S89 I93 R112 N113	L66-N91 PolarHBondContact O-ND2 3.16Å; R69-N91 VanDerWaalsContact C-OD1 3.27Å; R69-N91 WeakPolarHBondContact CA-OD1 3.41Å; R69-N91 PolarHBondContact N-OD1 2.72Å; A70-N91 PolarHBondContact N-OD1 3.15Å; L71-N91 HydrophobicContact CB-CB 4.17Å; L71-N91 PolarHBondContact N-OD1 3.08Å; L88-N91 PolarHBondContact O-ND2 3.15Å; S89-N91 PolarHBondContact O-ND2 3.11Å; N91-I93 HydrophobicContact CB-CD1 3.93Å; N91-I93 HydrophobicContact CB-CG1 4.03Å; N91-R112 PolarHBondContact N-O 2.66Å; N91-R112 VanDerWaalsContact O-O 3.06Å; N91-N113 WeakPolarHBondContact CA-OD1 3.34Å; N91-N113 VanDerWaalsContact CB-OD1 3.27Å; N91-N113 WeakPolarHBondContact CB-OD1 3.12Å; N91-N113 WeakPolarHBondContact O-CA 3.24Å; N91-N113 PolarHBondContact O-OD1 3.38Å
92	Y	97.6	Very high	97.3	Very high	141 Å²	141	33.2 Å²	33.2	55%	0.553	18%	0.179	S	C	*	.			trans	-119.2	33.3	179.2	-56.7	-72	0	0	0	111.2	A70 L71 N113	A70-Y92 HydrophobicContact CB-CD2 4.17Å; A70-Y92 HydrophobicContact CB-CE2 3.79Å; L71-Y92 CarbonylContact O-C 3.27Å; L71-Y92 WeakPolarHBondContact O-CA 3.25Å; L71-Y92 PolarHBondContact O-N 3.35Å; Y92-N113 PolarHBondContact N-OD1 2.88Å
93	I	97.6	Very high	97.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.179	C	C	.	.			trans	-78.5	133.7	-176.1	-58.1	161.1	0	0	0	109.2	L71 I74 L88 N91 D95 L96 N113 S114	L71-I93 HydrophobicContact CB-CD1 4.45Å; L71-I93 HydrophobicContact CB-CG1 4.41Å; L71-I93 PolarHBondContact O-N 2.94Å; I74-I93 HydrophobicContact CD1-CG2 4.28Å; I74-I93 HydrophobicContact CG2-CD1 3.66Å; I74-I93 HydrophobicContact CG2-CG1 4.1Å; L88-I93 HydrophobicContact CB-CD1 3.95Å; L88-I93 HydrophobicContact CD1-CD1 4.26Å; L88-I93 HydrophobicContact CD2-CD1 3.9Å; L88-I93 HydrophobicContact CG-CD1 4.26Å; N91-I93 HydrophobicContact CB-CD1 3.93Å; N91-I93 HydrophobicContact CB-CG1 4.03Å; I93-D95 WeakPolarHBondContact CG2-O 3.42Å; I93-L96 HydrophobicContact CG2-CD2 4.02Å; I93-N113 VanDerWaalsContact CB-OD1 3.26Å; I93-N113 WeakPolarHBondContact CB-OD1 3.21Å; I93-N113 PolarHBondContact N-OD1 2.98Å; I93-N113 WeakPolarHBondContact O-CB 3.29Å; I93-S114 CarbonylContact O-C 2.97Å; I93-S114 PolarHBondContact O-N 3.07Å
94	S	96.6	Very high	97.2	Very high	68 Å²	68	36.6 Å²	36.6	48%	0.476	20%	0.198	S	C	.	.			trans	-124.1	-9.9	172.1	61.6	0	0	0	0	113.3	S114 M115	S94-S114 WeakPolarHBondContact CB-O 3.21Å; S94-M115 VanDerWaalsContact C-SD 3.57Å
95	D	96.8	Very high	97.2	Very high	67 Å²	67	34.7 Å²	34.7	36%	0.358	19%	0.191	S	C	.	.			trans	-124.7	120.3	-178.7	180	26.2	0	0	0	110.7	I93 S97	I93-D95 WeakPolarHBondContact CG2-O 3.42Å; D95-S97 VanDerWaalsContact CG-OG 3.31Å; D95-S97 WeakPolarHBondContact OD1-CB 3.49Å; D95-S97 PolarHBondContact OD1-N 3.5Å; D95-S97 PolarHBondContact OD1-OG 3.22Å; D95-S97 PolarHBondContact OD2-OG 3.41Å
96	L	97.8	Very high	97.2	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.016	19%	0.189	C	C	.	.			trans	-99.9	3.3	175.4	-55.4	-179.7	0	0	0	112.5	L88 I93 P98 L99 V110 M115 P122	L88-L96 HydrophobicContact CD1-CD2 4.4Å; I93-L96 HydrophobicContact CG2-CD2 4.02Å; L96-P98 VanDerWaalsContact O-N 3.11Å; L96-L99 HydrophobicContact CB-CD1 4.18Å; L96-L99 HydrophobicContact CB-CG 4.45Å; L96-L99 HydrophobicContact CD2-CD1 4Å; L96-L99 VanDerWaalsContact O-CB 3.24Å; L96-L99 WeakPolarHBondContact O-CB 3.4Å; L96-L99 PolarHBondContact O-N 3.33Å; L96-V110 HydrophobicContact CD1-CG2 4.27Å; L96-V110 HydrophobicContact CD2-CG1 4.01Å; L96-V110 HydrophobicContact CD2-CG2 4.36Å; L96-M115 HydrophobicContact CD1-CE 3.89Å; L96-M115 HydrophobicContact CD1-SD 4.19Å; L96-M115 HydrophobicContact CD2-SD 4.44Å; L96-M115 HydrophobicContact CG-CE 4.09Å; L96-M115 HydrophobicContact CG-SD 3.9Å; L96-P122 VanDerWaalsContact O-CG 3.24Å; L96-P122 WeakPolarHBondContact O-CG 3.42Å
97	S	97.3	Very high	97.2	Very high	55 Å²	55	37 Å²	37	39%	0.385	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-49.2	-35	177.2	78.4	0	0	0	0	114.1	D95 L99 A100	D95-S97 VanDerWaalsContact CG-OG 3.31Å; D95-S97 WeakPolarHBondContact OD1-CB 3.49Å; D95-S97 PolarHBondContact OD1-N 3.5Å; D95-S97 PolarHBondContact OD1-OG 3.22Å; D95-S97 PolarHBondContact OD2-OG 3.41Å; S97-L99 PolarHBondContact O-N 2.91Å; S97-L99 VanDerWaalsContact O-N 3.08Å; S97-A100 VanDerWaalsContact O-CB 3.31Å; S97-A100 WeakPolarHBondContact O-CB 3.45Å; S97-A100 PolarHBondContact O-N 3.11Å; S97-A100 VanDerWaalsContact O-N 3.08Å
98	P	97.3	Very high	97.2	Very high	9 Å²	9	36 Å²	36	6%	0.058	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-62.8	-17.8	175.6	-28.4	41.1	0	0	0	115.1	I74 I75 I77 S78 L96 A100	I74-P98 HydrophobicContact CG1-CB 4.02Å; I74-P98 HydrophobicContact CG1-CG 3.91Å; I75-P98 HydrophobicContact CD1-CB 4.27Å; I75-P98 HydrophobicContact CD1-CG 4.09Å; I77-P98 HydrophobicContact CG2-CB 4.22Å; S78-P98 WeakPolarHBondContact CA-O 3.08Å; S78-P98 WeakPolarHBondContact CB-O 3.45Å; S78-P98 WeakPolarHBondContact OG-CA 3.48Å; S78-P98 WeakPolarHBondContact OG-CB 3.37Å; S78-P98 PolarHBondContact OG-O 2.71Å; L96-P98 VanDerWaalsContact O-N 3.11Å; P98-A100 VanDerWaalsContact C-N 3.32Å
99	L	97.5	Very high	97.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-81.7	-7.7	178.4	-55.6	-172.2	0	0	0	113	I74 I77 L86 L88 L96 S97 S101 M102 L108 F126	I74-L99 HydrophobicContact CD1-CD2 3.97Å; I74-L99 HydrophobicContact CD1-CG 4.12Å; I77-L99 HydrophobicContact CD1-CD2 4.05Å; I77-L99 HydrophobicContact CG2-CD2 3.52Å; L86-L99 HydrophobicContact CD2-CD1 4.03Å; L86-L99 HydrophobicContact CD2-CD2 3.65Å; L88-L99 HydrophobicContact CD1-CD1 4.05Å; L96-L99 HydrophobicContact CB-CD1 4.18Å; L96-L99 HydrophobicContact CB-CG 4.45Å; L96-L99 HydrophobicContact CD2-CD1 4Å; L96-L99 VanDerWaalsContact O-CB 3.24Å; L96-L99 WeakPolarHBondContact O-CB 3.4Å; L96-L99 PolarHBondContact O-N 3.33Å; S97-L99 PolarHBondContact O-N 2.91Å; S97-L99 VanDerWaalsContact O-N 3.08Å; L99-S101 PolarHBondContact O-N 3.1Å; L99-M102 HydrophobicContact CD2-CE 4.18Å; L99-M102 HydrophobicContact CD2-SD 3.91Å; L99-M102 VanDerWaalsContact O-CB 3.32Å; L99-M102 WeakPolarHBondContact O-CB 3.15Å; L99-M102 PolarHBondContact O-N 3.14Å; L99-L108 HydrophobicContact CD1-CD1 4.13Å; L99-L108 HydrophobicContact CD1-CD2 4.18Å; L99-F126 HydrophobicContact CB-CE1 4.19Å; L99-F126 HydrophobicContact CB-CZ 3.69Å; L99-F126 HydrophobicContact CD1-CZ 4.48Å; L99-F126 WeakPolarHBondContact O-CE1 3.2Å
100	A	96.4	Very high	97.2	Very high	38 Å²	38	38.5 Å²	38.5	31%	0.314	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-30.4	-172.7	0	0	0	0	0	114.5	S97 P98 M102 P122	S97-A100 VanDerWaalsContact O-CB 3.31Å; S97-A100 WeakPolarHBondContact O-CB 3.45Å; S97-A100 PolarHBondContact O-N 3.11Å; S97-A100 VanDerWaalsContact O-N 3.08Å; P98-A100 VanDerWaalsContact C-N 3.32Å; A100-M102 VanDerWaalsContact C-N 3.27Å; A100-M102 PolarHBondContact O-N 3.44Å; A100-P122 HydrophobicContact CB-CB 3.71Å; A100-P122 HydrophobicContact CB-CG 4.23Å
101	S	94.4	Very high	97.2	Very high	47 Å²	47	36.8 Å²	36.8	33%	0.329	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-12.9	177.8	62.7	0	0	0	0	114.1	S78 L99 T103	S78-S101 PolarHBondContact O-OG 3.3Å; L99-S101 PolarHBondContact O-N 3.1Å; S101-T103 VanDerWaalsContact C-N 3.26Å; S101-T103 PolarHBondContact O-N 3.23Å; S101-T103 VanDerWaalsContact O-N 3.08Å
102	M	94.9	Very high	97.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.224	C	C	.	.			trans	-88.3	55	-175.5	-55.2	-171.9	172.2	0	0	112.3	I77 I83 L86 L99 A100 H104 L105	I77-M102 HydrophobicContact CB-CE 4.14Å; I77-M102 HydrophobicContact CD1-CE 3.76Å; I77-M102 HydrophobicContact CG1-CE 3.58Å; I77-M102 HydrophobicContact CG2-CE 3.87Å; I77-M102 WeakPolarHBondContact O-CE 3.18Å; I83-M102 HydrophobicContact CB-CE 4.46Å; I83-M102 HydrophobicContact CB-SD 4.26Å; L86-M102 HydrophobicContact CD2-SD 4.15Å; L99-M102 HydrophobicContact CD2-CE 4.18Å; L99-M102 HydrophobicContact CD2-SD 3.91Å; L99-M102 VanDerWaalsContact O-CB 3.32Å; L99-M102 WeakPolarHBondContact O-CB 3.15Å; L99-M102 PolarHBondContact O-N 3.14Å; A100-M102 VanDerWaalsContact C-N 3.27Å; A100-M102 PolarHBondContact O-N 3.44Å; M102-H104 PolarHBondContact O-N 3.1Å; M102-L105 HydrophobicContact CB-CD1 3.73Å; M102-L105 HydrophobicContact CB-CG 3.76Å; M102-L105 WeakPolarHBondContact O-CG 3.37Å; M102-L105 PolarHBondContact O-N 3.08Å; M102-L105 VanDerWaalsContact O-N 3.09Å; M102-L105 HydrophobicContact SD-CD1 4.21Å; M102-L105 HydrophobicContact SD-CD2 4.41Å; M102-L105 HydrophobicContact SD-CG 4.47Å
103	T	94.2	Very high	97.3	Very high	51 Å²	51	37.6 Å²	37.6	31%	0.313	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-12.3	-172.7	55.1	0	0	0	0	115.6	S101 F128	S101-T103 VanDerWaalsContact C-N 3.26Å; S101-T103 PolarHBondContact O-N 3.23Å; S101-T103 VanDerWaalsContact O-N 3.08Å; T103-F128 WeakPolarHBondContact O-CD2 3.32Å
104	H	95.3	Very high	97.3	Very high	90 Å²	90	39.2 Å²	39.2	42%	0.417	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	14.9	-177.6	-64	74.4	0	0	0	112.5	R84 M102 L106	R84-H104 WeakPolarHBondContact CD-O 3.09Å; R84-H104 VanDerWaalsContact NH1-CB 3.35Å; R84-H104 VanDerWaalsContact NH2-CB 3.34Å; M102-H104 PolarHBondContact O-N 3.1Å; H104-L106 PolarHBondContact O-N 2.85Å
105	L	97.4	Very high	97.3	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.188	C	C	.	.			trans	-53.3	134.2	171.8	-80.3	169.4	0	0	0	110.4	I83 L86 M102 F126 F128 L129	I83-L105 HydrophobicContact CG2-CD2 4.05Å; L86-L105 HydrophobicContact CB-CD2 4.03Å; M102-L105 HydrophobicContact CB-CD1 3.73Å; M102-L105 HydrophobicContact CB-CG 3.76Å; M102-L105 WeakPolarHBondContact O-CG 3.37Å; M102-L105 PolarHBondContact O-N 3.08Å; M102-L105 VanDerWaalsContact O-N 3.09Å; M102-L105 HydrophobicContact SD-CD1 4.21Å; M102-L105 HydrophobicContact SD-CD2 4.41Å; M102-L105 HydrophobicContact SD-CG 4.47Å; L105-F126 HydrophobicContact CD1-CD1 4.08Å; L105-F126 HydrophobicContact CD1-CE1 3.83Å; L105-F126 HydrophobicContact CD1-CZ 4.12Å; L105-F128 CarbonylContact O-C 3.05Å; L105-L129 HydrophobicContact CB-CD1 4.25Å; L105-L129 VanDerWaalsContact O-CA 3.25Å; L105-L129 WeakPolarHBondContact O-CA 3.4Å; L105-L129 PolarHBondContact O-N 3.25Å; L105-L129 VanDerWaalsContact O-N 3.13Å
106	L	98.4	Very high	97.3	Very high	54 Å²	54	39.4 Å²	39.4	28%	0.283	20%	0.2	S	C	.	.			trans	-108.9	-32.5	176.6	-61.9	178.8	0	0	0	110.9	R84 F85 H104 F128 Q130 W131	R84-L106 HydrophobicContact CB-CD1 4.34Å; R84-L106 HydrophobicContact CB-CG 4.36Å; R84-L106 PolarHBondContact O-N 3.31Å; F85-L106 HydrophobicContact CZ-CD1 4.31Å; H104-L106 PolarHBondContact O-N 2.85Å; L106-F128 HydrophobicContact CD2-CB 3.9Å; L106-F128 WeakPolarHBondContact CD2-O 3.46Å; L106-Q130 PolarHBondContact O-N 3.38Å; L106-W131 PolarHBondContact O-N 3.35Å; L106-W131 VanDerWaalsContact O-N 3.16Å
107	W	98.8	Very high	97.2	Very high	66 Å²	66	40.8 Å²	40.8	25%	0.25	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	124.4	-176	-173.3	98.1	0	0	0	109.9	R84 F85 L86 D87 K109 W131	R84-W107 PolarHBondContact O-N 3.45Å; F85-W107 WeakPolarHBondContact CA-O 3.31Å; F85-W107 HydrophobicContact CD1-CB 3.56Å; F85-W107 HydrophobicContact CD1-CG 4.19Å; F85-W107 HydrophobicContact CE1-CB 4.14Å; F85-W107 HydrophobicContact CG-CB 4.44Å; L86-W107 PolarHBondContact N-O 3.29Å; L86-W107 VanDerWaalsContact O-CZ3 3.23Å; L86-W107 WeakPolarHBondContact O-CZ3 3.41Å; D87-W107 HydrophobicContact CB-CH2 4.18Å; D87-W107 HydrophobicContact CB-CZ3 3.87Å; W107-K109 HydrophobicContact CE3-CB 4.35Å; W107-K109 HydrophobicContact CH2-CB 3.27Å; W107-K109 HydrophobicContact CH2-CD 3.57Å; W107-K109 HydrophobicContact CH2-CG 4.04Å; W107-K109 HydrophobicContact CZ2-CB 3.83Å; W107-K109 HydrophobicContact CZ2-CD 3.91Å; W107-K109 HydrophobicContact CZ2-CG 4.39Å; W107-K109 HydrophobicContact CZ3-CB 3.56Å; W107-W131 WeakPolarHBondContact CA-O 3.22Å; W107-W131 VanDerWaalsContact CD1-CB 3.49Å; W107-W131 AromaticContact CD1-CD2 3.48Å; W107-W131 VanDerWaalsContact CD1-CD2 3.48Å; W107-W131 AromaticContact CD1-CE3 3.54Å; W107-W131 AromaticContact CD1-CG 3.47Å; W107-W131 VanDerWaalsContact CD1-CG 3.47Å; W107-W131 HydrophobicContact CD2-CE3 4.03Å; W107-W131 HydrophobicContact CD2-CZ3 4.3Å; W107-W131 AromaticContact CE2-CE3 3.52Å; W107-W131 AromaticContact CE2-CZ3 3.55Å; W107-W131 HydrophobicContact CG-CB 4.25Å; W107-W131 HydrophobicContact CG-CD2 4.38Å; W107-W131 HydrophobicContact CG-CE3 4.04Å; W107-W131 HydrophobicContact CG-CG 4.49Å; W107-W131 HydrophobicContact CH2-CZ3 4.47Å; W107-W131 HydrophobicContact CZ2-CE3 4.12Å; W107-W131 AromaticContact CZ2-CH2 3.85Å; W107-W131 HydrophobicContact CZ2-CH2 3.85Å; W107-W131 AromaticContact CZ2-CZ3 3.65Å; W107-W131 HydrophobicContact CZ2-CZ3 3.65Å; W107-W131 AromaticContact NE1-CD2 3.16Å; W107-W131 AromaticContact NE1-CE2 3.62Å; W107-W131 AromaticContact NE1-CE3 3.14Å; W107-W131 AromaticContact NE1-CG 3.62Å; W107-W131 AromaticContact NE1-CH2 3.97Å; W107-W131 AromaticContact NE1-CZ3 3.57Å
108	L	98.8	Very high	97.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	127.1	178.6	178.3	60.7	0	0	0	110.1	L86 L88 L99 V110 F126 L129 W131 L132 S133	L86-L108 HydrophobicContact CB-CD1 3.96Å; L86-L108 HydrophobicContact CD2-CD1 3.88Å; L86-L108 HydrophobicContact CG-CD1 3.91Å; L86-L108 WeakPolarHBondContact O-CA 3.29Å; L88-L108 HydrophobicContact CD1-CD1 4.42Å; L99-L108 HydrophobicContact CD1-CD1 4.13Å; L99-L108 HydrophobicContact CD1-CD2 4.18Å; L108-V110 HydrophobicContact CD1-CG2 3.87Å; L108-V110 HydrophobicContact CD2-CG2 4.07Å; L108-V110 HydrophobicContact CG-CG2 3.71Å; L108-F126 HydrophobicContact CD2-CE2 4.07Å; L108-L129 HydrophobicContact CB-CD1 3.8Å; L108-W131 PolarHBondContact N-O 3.45Å; L108-W131 WeakPolarHBondContact O-CZ3 3.11Å; L108-L132 HydrophobicContact CB-CD1 4.11Å; L108-L132 HydrophobicContact CD2-CD1 4.03Å; L108-L132 HydrophobicContact CG-CD1 4.09Å; L108-L132 WeakPolarHBondContact O-CA 3.47Å; L108-S133 PolarHBondContact O-N 3.11Å
109	K	98.9	Very high	97	Very high	57 Å²	57	42.1 Å²	42.1	25%	0.248	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	123.1	174.3	-166.5	-178.7	177.1	-169.6	0	110.2	L86 L88 S89 W107 D111 W131	L86-K109 PolarHBondContact O-N 2.94Å; L88-K109 PolarHBondContact N-O 2.7Å; S89-K109 VanDerWaalsContact OG-CD 3.28Å; S89-K109 WeakPolarHBondContact OG-CD 3.08Å; S89-K109 VanDerWaalsContact OG-CE 3.28Å; S89-K109 WeakPolarHBondContact OG-CE 3.1Å; S89-K109 VanDerWaalsContact OG-CG 3.28Å; S89-K109 WeakPolarHBondContact OG-CG 3.32Å; W107-K109 HydrophobicContact CE3-CB 4.35Å; W107-K109 HydrophobicContact CH2-CB 3.27Å; W107-K109 HydrophobicContact CH2-CD 3.57Å; W107-K109 HydrophobicContact CH2-CG 4.04Å; W107-K109 HydrophobicContact CZ2-CB 3.83Å; W107-K109 HydrophobicContact CZ2-CD 3.91Å; W107-K109 HydrophobicContact CZ2-CG 4.39Å; W107-K109 HydrophobicContact CZ3-CB 3.56Å; K109-D111 WeakPolarHBondContact CE-OD2 3.32Å; K109-D111 HydrophobicContact CG-CB 4.41Å; K109-D111 IonicContact NZ-OD2 2.74Å; K109-W131 HydrophobicContact CB-CH2 4.44Å; K109-W131 HydrophobicContact CB-CZ3 3.88Å; K109-W131 HydrophobicContact CD-CH2 4.3Å; K109-W131 HydrophobicContact CG-CH2 4.17Å; K109-W131 HydrophobicContact CG-CZ3 4.06Å
110	V	98.5	Very high	96.7	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.25	C	C	.	.			trans	-130.6	35.8	-177.7	-157.7	0	0	0	0	109.2	L88 L96 L108 N113 S133 V134 N137	L88-V110 HydrophobicContact CB-CG1 4.42Å; L96-V110 HydrophobicContact CD1-CG2 4.27Å; L96-V110 HydrophobicContact CD2-CG1 4.01Å; L96-V110 HydrophobicContact CD2-CG2 4.36Å; L108-V110 HydrophobicContact CD1-CG2 3.87Å; L108-V110 HydrophobicContact CD2-CG2 4.07Å; L108-V110 HydrophobicContact CG-CG2 3.71Å; V110-N113 HydrophobicContact CG1-CB 4.18Å; V110-N113 PolarHBondContact O-ND2 2.89Å; V110-S133 PolarHBondContact N-O 2.91Å; V110-V134 HydrophobicContact CB-CG1 4.49Å; V110-N137 PolarHBondContact O-ND2 3.37Å
111	D	98.8	Very high	96.7	Very high	21 Å²	21	50.7 Å²	50.7	11%	0.112	24%	0.241	C	C	.	.			trans	-67.5	152.3	-176.3	-66	-7.5	0	0	0	110.9	S89 N90 K109 N113 S133 V134 A135	S89-D111 CarbonylContact C-O 3.17Å; S89-D111 WeakPolarHBondContact CA-O 3.46Å; N90-D111 PolarHBondContact N-O 3Å; K109-D111 WeakPolarHBondContact CE-OD2 3.32Å; K109-D111 HydrophobicContact CG-CB 4.41Å; K109-D111 IonicContact NZ-OD2 2.74Å; D111-N113 PolarHBondContact O-N 3.32Å; D111-N113 PolarHBondContact O-ND2 2.86Å; D111-S133 VanDerWaalsContact CG-OG 3.28Å; D111-S133 VanDerWaalsContact OD1-C 3.25Å; D111-S133 VanDerWaalsContact OD1-CB 3.26Å; D111-S133 WeakPolarHBondContact OD1-CB 3.32Å; D111-S133 PolarHBondContact OD1-OG 3.42Å; D111-S133 PolarHBondContact OD2-OG 2.84Å; D111-V134 PolarHBondContact OD1-N 3.14Å; D111-A135 CarbonylContact C-O 3.39Å; D111-A135 WeakPolarHBondContact CA-O 3.4Å; D111-A135 HydrophobicContact CB-CB 4.35Å; D111-A135 WeakPolarHBondContact OD1-CB 3.28Å; D111-A135 PolarHBondContact OD1-N 3.47Å
112	R	98.7	Very high	96.8	Very high	155 Å²	155	49 Å²	49	59%	0.585	23%	0.23	S	C	*	.	S	Bend	trans	53.2	58.3	173.1	-63.6	169.4	179.7	-86	3	111.1	N90 N91 A135 S136	N90-R112 VanDerWaalsContact CA-O 3.31Å; N90-R112 WeakPolarHBondContact CA-O 3.44Å; N90-R112 PolarHBondContact N-O 2.96Å; N90-R112 VanDerWaalsContact OD1-CB 3.25Å; N90-R112 WeakPolarHBondContact OD1-CB 3.35Å; N90-R112 WeakPolarHBondContact OD1-CD 3.45Å; N91-R112 PolarHBondContact N-O 2.66Å; N91-R112 VanDerWaalsContact O-O 3.06Å; R112-A135 PolarHBondContact N-O 3.37Å; R112-S136 VanDerWaalsContact CA-O 3.22Å; R112-S136 WeakPolarHBondContact CA-O 3.12Å; R112-S136 VanDerWaalsContact CG-CB 3.48Å; R112-S136 PolarHBondContact N-O 3.39Å
113	N	98.6	Very high	96.8	Very high	9 Å²	9	49.3 Å²	49.3	5%	0.048	23%	0.231	C	C	.	.	S	Bend	trans	-130.3	-168	177.8	-89.5	-78.4	0	0	0	109.4	L88 N91 Y92 I93 V110 D111 N137	L88-N113 PolarHBondContact O-ND2 2.94Å; N91-N113 WeakPolarHBondContact CA-OD1 3.34Å; N91-N113 VanDerWaalsContact CB-OD1 3.27Å; N91-N113 WeakPolarHBondContact CB-OD1 3.12Å; N91-N113 WeakPolarHBondContact O-CA 3.24Å; N91-N113 PolarHBondContact O-OD1 3.38Å; Y92-N113 PolarHBondContact N-OD1 2.88Å; I93-N113 VanDerWaalsContact CB-OD1 3.26Å; I93-N113 WeakPolarHBondContact CB-OD1 3.21Å; I93-N113 PolarHBondContact N-OD1 2.98Å; I93-N113 WeakPolarHBondContact O-CB 3.29Å; V110-N113 HydrophobicContact CG1-CB 4.18Å; V110-N113 PolarHBondContact O-ND2 2.89Å; D111-N113 PolarHBondContact O-N 3.32Å; D111-N113 PolarHBondContact O-ND2 2.86Å; N113-N137 VanDerWaalsContact CA-OD1 3.3Å; N113-N137 WeakPolarHBondContact CA-OD1 3.31Å; N113-N137 WeakPolarHBondContact CB-OD1 3.44Å; N113-N137 PolarHBondContact N-OD1 2.87Å; N113-N137 PolarHBondContact O-OD1 3.01Å; N113-N137 VanDerWaalsContact O-OD1 3.11Å
114	S	97.6	Very high	96.8	Very high	34 Å²	34	50.3 Å²	50.3	24%	0.238	24%	0.24	C	C	.	.			trans	-111.5	27.8	-175.8	-62.4	0	0	0	0	113.2	I93 S94 K116 N137	I93-S114 CarbonylContact O-C 2.97Å; I93-S114 PolarHBondContact O-N 3.07Å; S94-S114 WeakPolarHBondContact CB-O 3.21Å; S114-K116 PolarHBondContact O-N 2.91Å; S114-N137 PolarHBondContact N-OD1 3.13Å
115	M	97.4	Very high	96.8	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.24	C	C	.	.			trans	-67.7	131.2	177.6	-65.1	-76.2	-62.1	0	0	110.8	S94 L96 Q121 V134 N137 Q138 I139	S94-M115 VanDerWaalsContact C-SD 3.57Å; L96-M115 HydrophobicContact CD1-CE 3.89Å; L96-M115 HydrophobicContact CD1-SD 4.19Å; L96-M115 HydrophobicContact CD2-SD 4.44Å; L96-M115 HydrophobicContact CG-CE 4.09Å; L96-M115 HydrophobicContact CG-SD 3.9Å; M115-Q121 HydrophobicContact CE-CG 3.7Å; M115-V134 HydrophobicContact CB-CG1 4.27Å; M115-V134 HydrophobicContact CG-CG1 4.21Å; M115-N137 HydrophobicContact CB-CB 4.07Å; M115-N137 VanDerWaalsContact CB-OD1 3.31Å; M115-N137 WeakPolarHBondContact CB-OD1 3.42Å; M115-N137 WeakPolarHBondContact CG-OD1 2.98Å; M115-N137 PolarHBondContact N-OD1 2.93Å; M115-Q138 CarbonylContact O-C 3.07Å; M115-Q138 VanDerWaalsContact O-C 3.27Å; M115-Q138 WeakPolarHBondContact O-CA 3.31Å; M115-Q138 PolarHBondContact O-N 3.3Å; M115-I139 HydrophobicContact CB-CD1 4.49Å; M115-I139 HydrophobicContact CB-CG1 4.32Å; M115-I139 PolarHBondContact O-N 3.25Å
116	K	96.3	Very high	96.7	Very high	138 Å²	138	50.3 Å²	50.3	60%	0.6	24%	0.24	S	C	*	.			trans	-111.4	-23	178.6	-65.4	-178.5	-179.4	-179.5	0	113.9	S114 Q138 I139	S114-K116 PolarHBondContact O-N 2.91Å; K116-Q138 HydrophobicContact CG-CB 4.04Å; K116-I139 WeakPolarHBondContact O-CA 3.47Å
117	S	95.6	Very high	96.6	Very high	32 Å²	32	50.9 Å²	50.9	22%	0.224	25%	0.246	C	C	.	.			trans	-156.9	159.4	-177.5	-172.8	0	0	0	0	110.8	K119	S117-K119 WeakPolarHBondContact OG-CG 3.41Å; S117-K119 PolarHBondContact OG-N 2.79Å; S117-K119 VanDerWaalsContact OG-N 3.16Å
118	F	95.6	Very high	96.5	Very high	3 Å²	3	52.8 Å²	52.8	1%	0.013	26%	0.256	C	S	.	.	S	Bend	trans	-89.9	-8.5	169.2	-61.5	-64.7	0	0	0	113.3	E120 Q121 L123 V134 I139 L145 L155	F118-E120 PolarHBondContact O-N 3.03Å; F118-Q121 WeakPolarHBondContact O-CB 3.33Å; F118-Q121 WeakPolarHBondContact O-CG 3.45Å; F118-Q121 PolarHBondContact O-N 3.04Å; F118-L123 HydrophobicContact CB-CD1 4.06Å; F118-L123 HydrophobicContact CD1-CD1 3.54Å; F118-L123 HydrophobicContact CE1-CD1 4.26Å; F118-L123 HydrophobicContact CG-CD1 4.06Å; F118-V134 HydrophobicContact CE1-CG2 4.14Å; F118-I139 HydrophobicContact CD2-CG2 4.31Å; F118-I139 HydrophobicContact CE1-CD1 3.95Å; F118-I139 HydrophobicContact CE2-CD1 4Å; F118-I139 HydrophobicContact CE2-CG2 3.82Å; F118-I139 HydrophobicContact CZ-CD1 3.48Å; F118-I139 VanDerWaalsContact CZ-CD1 3.48Å; F118-I139 HydrophobicContact CZ-CG1 4.47Å; F118-I139 HydrophobicContact CZ-CG2 4.42Å; F118-L145 HydrophobicContact CB-CB 4.19Å; F118-L145 HydrophobicContact CD1-CD1 4.06Å; F118-L145 HydrophobicContact CD2-CB 3.73Å; F118-L145 HydrophobicContact CD2-CD1 4.26Å; F118-L145 HydrophobicContact CD2-CD2 4.14Å; F118-L145 HydrophobicContact CD2-CG 4.23Å; F118-L145 HydrophobicContact CE1-CD1 4.06Å; F118-L145 HydrophobicContact CE2-CB 4.26Å; F118-L145 HydrophobicContact CE2-CD1 4.27Å; F118-L145 HydrophobicContact CE2-CD2 3.78Å; F118-L145 HydrophobicContact CE2-CG 4.31Å; F118-L145 HydrophobicContact CG-CB 3.98Å; F118-L145 HydrophobicContact CG-CD1 4.12Å; F118-L145 HydrophobicContact CG-CG 4.48Å; F118-L145 HydrophobicContact CZ-CD1 4.15Å; F118-L145 HydrophobicContact CZ-CD2 4.17Å; F118-L155 HydrophobicContact CE2-CD2 4.3Å; F118-L155 HydrophobicContact CZ-CD2 3.64Å
119	K	94.3	Very high	96.5	Very high	89 Å²	89	53 Å²	53	39%	0.387	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	139.5	173	-66.7	-179.7	-176.2	-176.5	0	110.1	S117 Q121 E143	S117-K119 WeakPolarHBondContact OG-CG 3.41Å; S117-K119 PolarHBondContact OG-N 2.79Å; S117-K119 VanDerWaalsContact OG-N 3.16Å; K119-Q121 PolarHBondContact O-N 2.91Å; K119-Q121 PolarHBondContact O-NE2 2.78Å; K119-E143 WeakPolarHBondContact CE-OE1 3.46Å; K119-E143 WeakPolarHBondContact CE-OE2 3.49Å; K119-E143 IonicContact NZ-OE1 2.91Å; K119-E143 PolarHBondContact NZ-OE1 3.13Å; K119-E143 VanDerWaalsContact NZ-OE1 3.11Å; K119-E143 IonicContact NZ-OE2 3.11Å; K119-E143 PolarHBondContact NZ-OE2 3.31Å
120	E	92.6	Very high	96.4	Very high	189 Å²	189	54.5 Å²	54.5	88%	0.883	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.6	5.2	178	-53.5	175.1	178.8	0	0	114.6	F118	F118-E120 PolarHBondContact O-N 3.03Å
121	Q	95.9	Very high	96.5	Very high	29 Å²	29	57.4 Å²	57.4	14%	0.136	28%	0.276	C	S	.	.	S	Bend	trans	-84.7	146.8	172.7	-53.5	-54.8	-52.6	0	0	110.2	M115 F118 K119 L123	M115-Q121 HydrophobicContact CE-CG 3.7Å; F118-Q121 WeakPolarHBondContact O-CB 3.33Å; F118-Q121 WeakPolarHBondContact O-CG 3.45Å; F118-Q121 PolarHBondContact O-N 3.04Å; K119-Q121 PolarHBondContact O-N 2.91Å; K119-Q121 PolarHBondContact O-NE2 2.78Å; Q121-L123 HydrophobicContact CB-CG 4.12Å; Q121-L123 PolarHBondContact O-N 3.21Å
122	P	96.4	Very high	96.5	Very high	13 Å²	13	56.5 Å²	56.5	8%	0.084	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-80.5	35	-173.2	34.7	-37.3	0	0	0	113.4	L96 A100 S124 E125 F126	L96-P122 VanDerWaalsContact O-CG 3.24Å; L96-P122 WeakPolarHBondContact O-CG 3.42Å; A100-P122 HydrophobicContact CB-CB 3.71Å; A100-P122 HydrophobicContact CB-CG 4.23Å; P122-S124 PolarHBondContact O-N 2.95Å; P122-E125 HydrophobicContact CB-CG 4.1Å; P122-E125 WeakPolarHBondContact O-CB 3.42Å; P122-E125 PolarHBondContact O-N 2.98Å; P122-F126 HydrophobicContact CB-CZ 4.44Å; P122-F126 HydrophobicContact CG-CE1 4.48Å; P122-F126 HydrophobicContact CG-CE2 4.36Å; P122-F126 HydrophobicContact CG-CZ 3.81Å
123	L	95.1	Very high	96.5	Very high	5 Å²	5	49.1 Å²	49.1	3%	0.026	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-63.9	-28.6	-175.3	-61.1	-174.1	0	0	0	113	F118 Q121 E125 F126 L145	F118-L123 HydrophobicContact CB-CD1 4.06Å; F118-L123 HydrophobicContact CD1-CD1 3.54Å; F118-L123 HydrophobicContact CE1-CD1 4.26Å; F118-L123 HydrophobicContact CG-CD1 4.06Å; Q121-L123 HydrophobicContact CB-CG 4.12Å; Q121-L123 PolarHBondContact O-N 3.21Å; L123-E125 PolarHBondContact O-N 2.85Å; L123-F126 HydrophobicContact CD2-CD2 3.8Å; L123-F126 HydrophobicContact CD2-CE2 3.78Å; L123-F126 PolarHBondContact O-N 3.25Å; L123-L145 HydrophobicContact CD1-CD1 3.42Å; L123-L145 VanDerWaalsContact CD1-CD1 3.42Å
124	S	93.7	Very high	96.5	Very high	72 Å²	72	48.8 Å²	48.8	50%	0.503	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-62.9	-26.4	173.4	54.8	0	0	0	0	113.5	P122 F126	P122-S124 PolarHBondContact O-N 2.95Å; S124-F126 VanDerWaalsContact C-N 3.29Å
125	E	95.7	Very high	96.5	Very high	89 Å²	89	47.6 Å²	47.6	42%	0.416	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-76.4	-21.1	179.7	-55	-51.6	126.9	0	0	111.9	P122 L123 T127	P122-E125 HydrophobicContact CB-CG 4.1Å; P122-E125 WeakPolarHBondContact O-CB 3.42Å; P122-E125 PolarHBondContact O-N 2.98Å; L123-E125 PolarHBondContact O-N 2.85Å; E125-T127 PolarHBondContact O-N 3.01Å
126	F	95.8	Very high	96.6	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.009	25%	0.25	C	C	.	.			trans	-85.3	55.6	-174.9	-53.2	-29.9	0	0	0	112.3	L99 L105 L108 P122 L123 S124 F128 L129	L99-F126 HydrophobicContact CB-CE1 4.19Å; L99-F126 HydrophobicContact CB-CZ 3.69Å; L99-F126 HydrophobicContact CD1-CZ 4.48Å; L99-F126 WeakPolarHBondContact O-CE1 3.2Å; L105-F126 HydrophobicContact CD1-CD1 4.08Å; L105-F126 HydrophobicContact CD1-CE1 3.83Å; L105-F126 HydrophobicContact CD1-CZ 4.12Å; L108-F126 HydrophobicContact CD2-CE2 4.07Å; P122-F126 HydrophobicContact CB-CZ 4.44Å; P122-F126 HydrophobicContact CG-CE1 4.48Å; P122-F126 HydrophobicContact CG-CE2 4.36Å; P122-F126 HydrophobicContact CG-CZ 3.81Å; L123-F126 HydrophobicContact CD2-CD2 3.8Å; L123-F126 HydrophobicContact CD2-CE2 3.78Å; L123-F126 PolarHBondContact O-N 3.25Å; S124-F126 VanDerWaalsContact C-N 3.29Å; F126-F128 PolarHBondContact O-N 3.41Å; F126-L129 HydrophobicContact CB-CB 3.78Å; F126-L129 HydrophobicContact CB-CD2 4.07Å; F126-L129 HydrophobicContact CD2-CD2 4.07Å; F126-L129 HydrophobicContact CG-CD2 4.48Å; F126-L129 WeakPolarHBondContact O-CB 3.33Å; F126-L129 PolarHBondContact O-N 3.04Å
127	T	94.7	Very high	96.7	Very high	66 Å²	66	43.7 Å²	43.7	41%	0.405	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-18	-174.1	56.8	0	0	0	0	114.8	E125 S149	E125-T127 PolarHBondContact O-N 3.01Å; T127-S149 WeakPolarHBondContact O-CB 3.37Å; T127-S149 PolarHBondContact O-OG 3.03Å
128	F	97.3	Very high	96.8	Very high	106 Å²	106	46.5 Å²	46.5	47%	0.465	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.4	4.1	177.9	-63.2	-82.2	0	0	0	113.9	T103 L105 L106 F126 Q130	T103-F128 WeakPolarHBondContact O-CD2 3.32Å; L105-F128 CarbonylContact O-C 3.05Å; L106-F128 HydrophobicContact CD2-CB 3.9Å; L106-F128 WeakPolarHBondContact CD2-O 3.46Å; F126-F128 PolarHBondContact O-N 3.41Å; F128-Q130 PolarHBondContact O-N 3.3Å
129	L	98.3	Very high	96.9	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.016	23%	0.232	C	C	.	.			trans	-69.2	119	-175.7	-175	69.4	0	0	0	110.3	L105 L108 F126 W131 L132 S149 I150	L105-L129 HydrophobicContact CB-CD1 4.25Å; L105-L129 VanDerWaalsContact O-CA 3.25Å; L105-L129 WeakPolarHBondContact O-CA 3.4Å; L105-L129 PolarHBondContact O-N 3.25Å; L105-L129 VanDerWaalsContact O-N 3.13Å; L108-L129 HydrophobicContact CB-CD1 3.8Å; F126-L129 HydrophobicContact CB-CB 3.78Å; F126-L129 HydrophobicContact CB-CD2 4.07Å; F126-L129 HydrophobicContact CD2-CD2 4.07Å; F126-L129 HydrophobicContact CG-CD2 4.48Å; F126-L129 WeakPolarHBondContact O-CB 3.33Å; F126-L129 PolarHBondContact O-N 3.04Å; L129-W131 WeakPolarHBondContact CD1-O 3.22Å; L129-L132 HydrophobicContact CD2-CB 4.02Å; L129-L132 HydrophobicContact CD2-CD1 4.28Å; L129-L132 HydrophobicContact CD2-CD2 4.27Å; L129-L132 HydrophobicContact CD2-CG 4.41Å; L129-S149 CarbonylContact O-C 3.59Å; L129-I150 HydrophobicContact CD2-CD1 4.27Å; L129-I150 HydrophobicContact CG-CG1 4.43Å; L129-I150 VanDerWaalsContact O-CA 3.28Å; L129-I150 WeakPolarHBondContact O-CA 3.41Å; L129-I150 WeakPolarHBondContact O-CG1 3.41Å; L129-I150 PolarHBondContact O-N 2.85Å
130	Q	98.6	Very high	97	Very high	90 Å²	90	45.4 Å²	45.4	42%	0.421	23%	0.234	S	C	.	.			trans	-102.7	-28.3	-177.7	-71.2	171.3	-19.6	0	0	112.1	L106 F128 S149 E151 T152	L106-Q130 PolarHBondContact O-N 3.38Å; F128-Q130 PolarHBondContact O-N 3.3Å; Q130-S149 WeakPolarHBondContact CA-O 3.36Å; Q130-E151 PolarHBondContact O-N 3.03Å; Q130-T152 PolarHBondContact O-N 2.98Å
131	W	98.8	Very high	97	Very high	61 Å²	61	38.1 Å²	38.1	23%	0.231	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	121.6	-176.9	-167.6	105.8	0	0	0	109.7	L106 W107 L108 K109 L129 T152 I154	L106-W131 PolarHBondContact O-N 3.35Å; L106-W131 VanDerWaalsContact O-N 3.16Å; W107-W131 WeakPolarHBondContact CA-O 3.22Å; W107-W131 VanDerWaalsContact CD1-CB 3.49Å; W107-W131 AromaticContact CD1-CD2 3.48Å; W107-W131 VanDerWaalsContact CD1-CD2 3.48Å; W107-W131 AromaticContact CD1-CE3 3.54Å; W107-W131 AromaticContact CD1-CG 3.47Å; W107-W131 VanDerWaalsContact CD1-CG 3.47Å; W107-W131 HydrophobicContact CD2-CE3 4.03Å; W107-W131 HydrophobicContact CD2-CZ3 4.3Å; W107-W131 AromaticContact CE2-CE3 3.52Å; W107-W131 AromaticContact CE2-CZ3 3.55Å; W107-W131 HydrophobicContact CG-CB 4.25Å; W107-W131 HydrophobicContact CG-CD2 4.38Å; W107-W131 HydrophobicContact CG-CE3 4.04Å; W107-W131 HydrophobicContact CG-CG 4.49Å; W107-W131 HydrophobicContact CH2-CZ3 4.47Å; W107-W131 HydrophobicContact CZ2-CE3 4.12Å; W107-W131 AromaticContact CZ2-CH2 3.85Å; W107-W131 HydrophobicContact CZ2-CH2 3.85Å; W107-W131 AromaticContact CZ2-CZ3 3.65Å; W107-W131 HydrophobicContact CZ2-CZ3 3.65Å; W107-W131 AromaticContact NE1-CD2 3.16Å; W107-W131 AromaticContact NE1-CE2 3.62Å; W107-W131 AromaticContact NE1-CE3 3.14Å; W107-W131 AromaticContact NE1-CG 3.62Å; W107-W131 AromaticContact NE1-CH2 3.97Å; W107-W131 AromaticContact NE1-CZ3 3.57Å; L108-W131 PolarHBondContact N-O 3.45Å; L108-W131 WeakPolarHBondContact O-CZ3 3.11Å; K109-W131 HydrophobicContact CB-CH2 4.44Å; K109-W131 HydrophobicContact CB-CZ3 3.88Å; K109-W131 HydrophobicContact CD-CH2 4.3Å; K109-W131 HydrophobicContact CG-CH2 4.17Å; K109-W131 HydrophobicContact CG-CZ3 4.06Å; L129-W131 WeakPolarHBondContact CD1-O 3.22Å; W131-T152 WeakPolarHBondContact CA-O 3.48Å; W131-T152 HydrophobicContact CG-CG2 4.48Å; W131-I154 HydrophobicContact CH2-CD1 4.06Å; W131-I154 HydrophobicContact CZ2-CD1 3.39Å
132	L	98.8	Very high	96.9	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	128.1	177.6	177.7	58	0	0	0	109.9	L108 L129 V134 L145 I150 T152 L153 I154	L108-L132 HydrophobicContact CB-CD1 4.11Å; L108-L132 HydrophobicContact CD2-CD1 4.03Å; L108-L132 HydrophobicContact CG-CD1 4.09Å; L108-L132 WeakPolarHBondContact O-CA 3.47Å; L129-L132 HydrophobicContact CD2-CB 4.02Å; L129-L132 HydrophobicContact CD2-CD1 4.28Å; L129-L132 HydrophobicContact CD2-CD2 4.27Å; L129-L132 HydrophobicContact CD2-CG 4.41Å; L132-V134 HydrophobicContact CD1-CG2 3.73Å; L132-V134 HydrophobicContact CD2-CG2 4.33Å; L132-V134 HydrophobicContact CG-CG2 3.91Å; L132-L145 HydrophobicContact CD2-CD1 4.3Å; L132-I150 HydrophobicContact CB-CD1 4.1Å; L132-I150 HydrophobicContact CD2-CD1 3.96Å; L132-T152 PolarHBondContact N-O 3.43Å; L132-L153 HydrophobicContact CB-CD1 4.13Å; L132-L153 HydrophobicContact CD2-CD1 3.98Å; L132-L153 HydrophobicContact CG-CD1 4.06Å; L132-L153 WeakPolarHBondContact O-CA 3.29Å; L132-I154 PolarHBondContact O-N 3.12Å
133	S	98.9	Very high	96.6	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.007	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	128.6	168.4	-173.1	0	0	0	0	110.7	L108 V110 D111 I154	L108-S133 PolarHBondContact O-N 3.11Å; V110-S133 PolarHBondContact N-O 2.91Å; D111-S133 VanDerWaalsContact CG-OG 3.28Å; D111-S133 VanDerWaalsContact OD1-C 3.25Å; D111-S133 VanDerWaalsContact OD1-CB 3.26Å; D111-S133 WeakPolarHBondContact OD1-CB 3.32Å; D111-S133 PolarHBondContact OD1-OG 3.42Å; D111-S133 PolarHBondContact OD2-OG 2.84Å; S133-I154 WeakPolarHBondContact CA-O 3.13Å; S133-I154 WeakPolarHBondContact OG-CB 3.38Å
134	V	98.5	Very high	96.5	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.012	23%	0.23	C	C	.	.			trans	-131.7	40.9	176.9	-159.8	0	0	0	0	108.1	V110 D111 M115 F118 L132 N137 I139 I154 L155 N158	V110-V134 HydrophobicContact CB-CG1 4.49Å; D111-V134 PolarHBondContact OD1-N 3.14Å; M115-V134 HydrophobicContact CB-CG1 4.27Å; M115-V134 HydrophobicContact CG-CG1 4.21Å; F118-V134 HydrophobicContact CE1-CG2 4.14Å; L132-V134 HydrophobicContact CD1-CG2 3.73Å; L132-V134 HydrophobicContact CD2-CG2 4.33Å; L132-V134 HydrophobicContact CG-CG2 3.91Å; V134-N137 HydrophobicContact CG1-CB 4.29Å; V134-N137 PolarHBondContact O-ND2 2.93Å; V134-I139 HydrophobicContact CB-CD1 4.03Å; V134-I139 HydrophobicContact CG1-CD1 3.55Å; V134-I154 PolarHBondContact N-O 3.18Å; V134-L155 HydrophobicContact CB-CD2 4.09Å; V134-L155 HydrophobicContact CG2-CD2 4.48Å; V134-N158 PolarHBondContact O-ND2 3.39Å
135	A	98.8	Very high	96.5	Very high	9 Å²	9	39 Å²	39	7%	0.074	21%	0.207	C	C	.	.			trans	-70.6	153	-175.5	0	0	0	0	0	111	D111 R112 N137 I154 S156	D111-A135 CarbonylContact C-O 3.39Å; D111-A135 WeakPolarHBondContact CA-O 3.4Å; D111-A135 HydrophobicContact CB-CB 4.35Å; D111-A135 WeakPolarHBondContact OD1-CB 3.28Å; D111-A135 PolarHBondContact OD1-N 3.47Å; R112-A135 PolarHBondContact N-O 3.37Å; A135-N137 VanDerWaalsContact C-N 3.32Å; A135-N137 PolarHBondContact O-N 2.94Å; A135-N137 PolarHBondContact O-ND2 2.92Å; A135-N137 VanDerWaalsContact O-ND2 3.11Å; A135-I154 HydrophobicContact CB-CG2 4.09Å; A135-S156 CarbonylContact C-O 3.59Å; A135-S156 WeakPolarHBondContact CA-O 3.49Å; A135-S156 WeakPolarHBondContact CB-O 3.49Å
136	S	98.7	Very high	96.4	Very high	47 Å²	47	37.1 Å²	37.1	33%	0.329	20%	0.202	S	C	.	.	S	Bend	trans	55.6	45.5	176.8	-51.2	0	0	0	0	112.9	R112 S156 G157	R112-S136 VanDerWaalsContact CA-O 3.22Å; R112-S136 WeakPolarHBondContact CA-O 3.12Å; R112-S136 VanDerWaalsContact CG-CB 3.48Å; R112-S136 PolarHBondContact N-O 3.39Å; S136-S156 PolarHBondContact N-O 3.29Å; S136-G157 VanDerWaalsContact CA-O 3.22Å; S136-G157 WeakPolarHBondContact CA-O 2.81Å
137	N	98.6	Very high	96.3	Very high	9 Å²	9	37.1 Å²	37.1	5%	0.048	20%	0.202	C	C	.	.	S	Bend	trans	-112.4	-163.3	171.2	-82.5	-92.4	0	0	0	108.8	V110 N113 S114 M115 V134 A135 I139 N158	V110-N137 PolarHBondContact O-ND2 3.37Å; N113-N137 VanDerWaalsContact CA-OD1 3.3Å; N113-N137 WeakPolarHBondContact CA-OD1 3.31Å; N113-N137 WeakPolarHBondContact CB-OD1 3.44Å; N113-N137 PolarHBondContact N-OD1 2.87Å; N113-N137 PolarHBondContact O-OD1 3.01Å; N113-N137 VanDerWaalsContact O-OD1 3.11Å; S114-N137 PolarHBondContact N-OD1 3.13Å; M115-N137 HydrophobicContact CB-CB 4.07Å; M115-N137 VanDerWaalsContact CB-OD1 3.31Å; M115-N137 WeakPolarHBondContact CB-OD1 3.42Å; M115-N137 WeakPolarHBondContact CG-OD1 2.98Å; M115-N137 PolarHBondContact N-OD1 2.93Å; V134-N137 HydrophobicContact CG1-CB 4.29Å; V134-N137 PolarHBondContact O-ND2 2.93Å; A135-N137 VanDerWaalsContact C-N 3.32Å; A135-N137 PolarHBondContact O-N 2.94Å; A135-N137 PolarHBondContact O-ND2 2.92Å; A135-N137 VanDerWaalsContact O-ND2 3.11Å; N137-I139 HydrophobicContact CB-CD1 4.27Å; N137-I139 HydrophobicContact CB-CG1 4.31Å; N137-N158 VanDerWaalsContact CA-OD1 3.27Å; N137-N158 WeakPolarHBondContact CA-OD1 3.41Å; N137-N158 WeakPolarHBondContact CB-OD1 3.49Å; N137-N158 PolarHBondContact N-OD1 2.93Å; N137-N158 PolarHBondContact O-OD1 3.19Å
138	Q	98	Very high	96.2	Very high	90 Å²	90	36.4 Å²	36.4	42%	0.421	20%	0.198	S	C	.	.			trans	-116.1	30.6	-177.3	-63	164.2	22.1	0	0	111.3	M115 K116 N158	M115-Q138 CarbonylContact O-C 3.07Å; M115-Q138 VanDerWaalsContact O-C 3.27Å; M115-Q138 WeakPolarHBondContact O-CA 3.31Å; M115-Q138 PolarHBondContact O-N 3.3Å; K116-Q138 HydrophobicContact CG-CB 4.04Å; Q138-N158 PolarHBondContact N-OD1 3.01Å
139	I	97.6	Very high	96.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.187	C	C	.	.			trans	-71.8	131.6	-177	-62	161.1	0	0	0	109.9	M115 K116 F118 V134 N137 D141 L155 N158 S159 I160	M115-I139 HydrophobicContact CB-CD1 4.49Å; M115-I139 HydrophobicContact CB-CG1 4.32Å; M115-I139 PolarHBondContact O-N 3.25Å; K116-I139 WeakPolarHBondContact O-CA 3.47Å; F118-I139 HydrophobicContact CD2-CG2 4.31Å; F118-I139 HydrophobicContact CE1-CD1 3.95Å; F118-I139 HydrophobicContact CE2-CD1 4Å; F118-I139 HydrophobicContact CE2-CG2 3.82Å; F118-I139 HydrophobicContact CZ-CD1 3.48Å; F118-I139 VanDerWaalsContact CZ-CD1 3.48Å; F118-I139 HydrophobicContact CZ-CG1 4.47Å; F118-I139 HydrophobicContact CZ-CG2 4.42Å; V134-I139 HydrophobicContact CB-CD1 4.03Å; V134-I139 HydrophobicContact CG1-CD1 3.55Å; N137-I139 HydrophobicContact CB-CD1 4.27Å; N137-I139 HydrophobicContact CB-CG1 4.31Å; I139-D141 WeakPolarHBondContact CG2-O 3.25Å; I139-L155 HydrophobicContact CD1-CD2 4.39Å; I139-N158 HydrophobicContact CB-CB 4.19Å; I139-N158 WeakPolarHBondContact CB-OD1 3.09Å; I139-N158 PolarHBondContact N-OD1 3.07Å; I139-N158 VanDerWaalsContact N-OD1 3.08Å; I139-S159 CarbonylContact O-C 3.36Å; I139-S159 WeakPolarHBondContact O-CA 3.1Å; I139-S159 PolarHBondContact O-N 3.21Å; I139-I160 HydrophobicContact CG2-CD1 4.32Å; I139-I160 HydrophobicContact CG2-CG1 4.13Å; I139-I160 WeakPolarHBondContact O-CG1 2.84Å; I139-I160 PolarHBondContact O-N 3.34Å
140	V	95.7	Very high	96.2	Very high	70 Å²	70	32.8 Å²	32.8	42%	0.424	19%	0.187	S	C	.	.			trans	-106.5	-22.8	-176.6	-63.8	0	0	0	0	114.2	I160 Q161	V140-I160 WeakPolarHBondContact O-CA 3.45Å; V140-Q161 PolarHBondContact O-N 3.49Å
141	D	93.5	Very high	96.2	Very high	36 Å²	36	32.8 Å²	32.8	19%	0.193	19%	0.186	C	C	.	.			trans	-153	173.1	178.6	69.3	60.8	0	0	0	110.3	I139 E143	I139-D141 WeakPolarHBondContact CG2-O 3.25Å; D141-E143 WeakPolarHBondContact OD1-CB 3.32Å; D141-E143 PolarHBondContact OD1-N 2.71Å
142	M	92.8	Very high	96.2	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.182	C	C	.	.			trans	-107.2	16.5	-176.8	-66.8	174.9	-174.9	0	0	112.3	G144 L145 L155 I160 I163 N164 L166 L179	M142-G144 PolarHBondContact O-N 3.09Å; M142-L145 HydrophobicContact CB-CD2 4.35Å; M142-L145 HydrophobicContact CG-CD2 4.37Å; M142-L145 WeakPolarHBondContact O-CB 3.03Å; M142-L145 PolarHBondContact O-N 2.9Å; M142-L155 HydrophobicContact CE-CD1 3.73Å; M142-L155 HydrophobicContact CG-CD1 4.43Å; M142-L155 HydrophobicContact SD-CD1 4.5Å; M142-I160 HydrophobicContact CE-CD1 3.87Å; M142-I160 HydrophobicContact CE-CG2 4.24Å; M142-I160 HydrophobicContact CG-CD1 4.4Å; M142-I163 HydrophobicContact CE-CD1 3.38Å; M142-I163 HydrophobicContact SD-CD1 4.01Å; M142-I163 HydrophobicContact SD-CG2 4.15Å; M142-N164 WeakPolarHBondContact CB-O 3.44Å; M142-N164 PolarHBondContact N-OD1 2.9Å; M142-L166 HydrophobicContact CE-CD1 4.07Å; M142-L166 HydrophobicContact SD-CD1 3.4Å; M142-L166 WeakPolarHBondContact SD-CD1 3.16Å; M142-L166 HydrophobicContact SD-CD2 3.98Å; M142-L166 HydrophobicContact SD-CG 3.44Å; M142-L166 WeakPolarHBondContact SD-CG 3.01Å; M142-L179 HydrophobicContact CE-CD1 4.02Å; M142-L179 HydrophobicContact CE-CD2 3.28Å; M142-L179 HydrophobicContact CE-CG 4.23Å
143	E	91.8	Very high	96.2	Very high	93 Å²	93	31 Å²	31	44%	0.435	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	131.5	178.8	-162.9	-175.6	153.5	0	0	110.7	K119 D141 L145	K119-E143 WeakPolarHBondContact CE-OE1 3.46Å; K119-E143 WeakPolarHBondContact CE-OE2 3.49Å; K119-E143 IonicContact NZ-OE1 2.91Å; K119-E143 PolarHBondContact NZ-OE1 3.13Å; K119-E143 VanDerWaalsContact NZ-OE1 3.11Å; K119-E143 IonicContact NZ-OE2 3.11Å; K119-E143 PolarHBondContact NZ-OE2 3.31Å; D141-E143 WeakPolarHBondContact OD1-CB 3.32Å; D141-E143 PolarHBondContact OD1-N 2.71Å; E143-L145 VanDerWaalsContact C-N 3.31Å
144	G	91.9	Very high	96.2	Very high	41 Å²	41	32.6 Å²	32.6	42%	0.423	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.3	-6.6	-174.5	0	0	0	0	0	114.4	M142 V146	M142-G144 PolarHBondContact O-N 3.09Å; G144-V146 PolarHBondContact O-N 3.09Å
145	L	94.6	Very high	96.2	Very high	4 Å²	4	32.5 Å²	32.5	2%	0.021	19%	0.19	C	C	.	.			trans	-73	120.4	173.5	-172.3	51.9	0	0	0	110.2	F118 L123 L132 M142 E143 L153 L155 L166 F171	F118-L145 HydrophobicContact CB-CB 4.19Å; F118-L145 HydrophobicContact CD1-CD1 4.06Å; F118-L145 HydrophobicContact CD2-CB 3.73Å; F118-L145 HydrophobicContact CD2-CD1 4.26Å; F118-L145 HydrophobicContact CD2-CD2 4.14Å; F118-L145 HydrophobicContact CD2-CG 4.23Å; F118-L145 HydrophobicContact CE1-CD1 4.06Å; F118-L145 HydrophobicContact CE2-CB 4.26Å; F118-L145 HydrophobicContact CE2-CD1 4.27Å; F118-L145 HydrophobicContact CE2-CD2 3.78Å; F118-L145 HydrophobicContact CE2-CG 4.31Å; F118-L145 HydrophobicContact CG-CB 3.98Å; F118-L145 HydrophobicContact CG-CD1 4.12Å; F118-L145 HydrophobicContact CG-CG 4.48Å; F118-L145 HydrophobicContact CZ-CD1 4.15Å; F118-L145 HydrophobicContact CZ-CD2 4.17Å; L123-L145 HydrophobicContact CD1-CD1 3.42Å; L123-L145 VanDerWaalsContact CD1-CD1 3.42Å; L132-L145 HydrophobicContact CD2-CD1 4.3Å; M142-L145 HydrophobicContact CB-CD2 4.35Å; M142-L145 HydrophobicContact CG-CD2 4.37Å; M142-L145 WeakPolarHBondContact O-CB 3.03Å; M142-L145 PolarHBondContact O-N 2.9Å; E143-L145 VanDerWaalsContact C-N 3.31Å; L145-L153 HydrophobicContact CD2-CD2 3.81Å; L145-L155 HydrophobicContact CD2-CD1 4.27Å; L145-L166 HydrophobicContact CD2-CD2 4.22Å; L145-F171 HydrophobicContact CB-CZ 4.39Å; L145-F171 HydrophobicContact CD2-CZ 4.43Å; L145-F171 HydrophobicContact CG-CE1 4.32Å; L145-F171 HydrophobicContact CG-CZ 3.75Å; L145-F171 WeakPolarHBondContact O-CZ 3.03Å
146	V	93.9	Very high	96.2	Very high	49 Å²	49	33.2 Å²	33.2	30%	0.297	19%	0.194	S	C	.	.			trans	-136	140.7	175.2	178.2	0	0	0	0	108.4	G144	G144-V146 PolarHBondContact O-N 3.09Å
147	G	93.5	Very high	96.2	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.01	20%	0.195	C	C	.	.			trans	-168.1	71.5	-175.5	0	0	0	0	0	113.4	S149 I150 D170	G147-S149 PolarHBondContact O-N 3.21Å; G147-S149 VanDerWaalsContact O-N 3.09Å; G147-I150 PolarHBondContact O-N 2.83Å; G147-D170 CarbonylContact C-O 3.56Å; G147-D170 PolarHBondContact N-O 3.02Å; G147-D170 VanDerWaalsContact O-O 3.08Å
148	P	92	Very high	96.2	Very high	51 Å²	51	32.5 Å²	32.5	33%	0.331	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-26.7	-171.7	23.9	-35	0	0	0	113.5	D170 N173	P148-D170 VanDerWaalsContact CA-O 3.27Å; P148-D170 WeakPolarHBondContact CA-O 3.23Å; P148-D170 VanDerWaalsContact N-O 3.12Å; P148-N173 PolarHBondContact O-ND2 3.1Å
149	S	97.1	Very high	96.2	Very high	33 Å²	33	30.1 Å²	30.1	23%	0.231	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-1	178.4	-72.1	0	0	0	0	114.4	T127 L129 Q130 G147 E151	T127-S149 WeakPolarHBondContact O-CB 3.37Å; T127-S149 PolarHBondContact O-OG 3.03Å; L129-S149 CarbonylContact O-C 3.59Å; Q130-S149 WeakPolarHBondContact CA-O 3.36Å; G147-S149 PolarHBondContact O-N 3.21Å; G147-S149 VanDerWaalsContact O-N 3.09Å; S149-E151 PolarHBondContact O-N 2.72Å
150	I	98.1	Very high	96.2	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	19%	0.188	C	C	.	.			trans	-68.5	123	-176.4	-62.3	-178.2	0	0	0	109.2	L129 L132 G147 T152 L153 F171 N173 L174	L129-I150 HydrophobicContact CD2-CD1 4.27Å; L129-I150 HydrophobicContact CG-CG1 4.43Å; L129-I150 VanDerWaalsContact O-CA 3.28Å; L129-I150 WeakPolarHBondContact O-CA 3.41Å; L129-I150 WeakPolarHBondContact O-CG1 3.41Å; L129-I150 PolarHBondContact O-N 2.85Å; L132-I150 HydrophobicContact CB-CD1 4.1Å; L132-I150 HydrophobicContact CD2-CD1 3.96Å; G147-I150 PolarHBondContact O-N 2.83Å; I150-T152 WeakPolarHBondContact CG2-O 3.08Å; I150-L153 HydrophobicContact CG2-CB 4.08Å; I150-F171 HydrophobicContact CD1-CE1 4.37Å; I150-N173 CarbonylContact O-C 3.04Å; I150-N173 VanDerWaalsContact O-C 3.27Å; I150-L174 HydrophobicContact CG2-CD1 3.89Å; I150-L174 WeakPolarHBondContact O-CA 3.26Å; I150-L174 PolarHBondContact O-N 3.07Å; I150-L174 VanDerWaalsContact O-N 3.16Å
151	E	98.6	Very high	96.3	Very high	89 Å²	89	32.1 Å²	32.1	42%	0.416	19%	0.193	S	C	.	.	S	Bend	trans	-99.7	-32.7	175.1	-62.4	-178.6	-166.8	0	0	111.6	Q130 S149 N173 V175 I176	Q130-E151 PolarHBondContact O-N 3.03Å; S149-E151 PolarHBondContact O-N 2.72Å; E151-N173 WeakPolarHBondContact CA-O 3.18Å; E151-N173 HydrophobicContact CG-CB 4.43Å; E151-V175 PolarHBondContact O-N 2.97Å; E151-I176 PolarHBondContact O-N 3.39Å
152	T	98.9	Very high	96.2	Very high	24 Å²	24	37.9 Å²	37.9	15%	0.147	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	122.1	178.3	-60.6	0	0	0	0	110.6	Q130 W131 L132 I150 I154 I176	Q130-T152 PolarHBondContact O-N 2.98Å; W131-T152 WeakPolarHBondContact CA-O 3.48Å; W131-T152 HydrophobicContact CG-CG2 4.48Å; L132-T152 PolarHBondContact N-O 3.43Å; I150-T152 WeakPolarHBondContact CG2-O 3.08Å; T152-I154 HydrophobicContact CG2-CD1 4.3Å; T152-I154 HydrophobicContact CG2-CG1 4.11Å; T152-I176 WeakPolarHBondContact CA-O 3.36Å; T152-I176 HydrophobicContact CG2-CB 4.16Å; T152-I176 HydrophobicContact CG2-CG2 4.28Å
153	L	98.8	Very high	96.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	122.7	177.2	178.5	58.6	0	0	0	110.1	L132 L145 I150 L155 L166 L174 I176 L177 E178	L132-L153 HydrophobicContact CB-CD1 4.13Å; L132-L153 HydrophobicContact CD2-CD1 3.98Å; L132-L153 HydrophobicContact CG-CD1 4.06Å; L132-L153 WeakPolarHBondContact O-CA 3.29Å; L145-L153 HydrophobicContact CD2-CD2 3.81Å; I150-L153 HydrophobicContact CG2-CB 4.08Å; L153-L155 HydrophobicContact CD1-CD1 4.3Å; L153-L155 HydrophobicContact CD1-CD2 4.18Å; L153-L155 HydrophobicContact CD1-CG 4.05Å; L153-L155 HydrophobicContact CD2-CD1 3.96Å; L153-L155 HydrophobicContact CG-CD1 4.04Å; L153-L155 HydrophobicContact CG-CG 4.03Å; L153-L166 HydrophobicContact CD2-CD2 4.47Å; L153-L174 HydrophobicContact CB-CD1 3.75Å; L153-I176 PolarHBondContact N-O 3.42Å; L153-L177 HydrophobicContact CB-CD1 4.06Å; L153-L177 HydrophobicContact CD2-CD1 3.84Å; L153-L177 HydrophobicContact CG-CD1 3.95Å; L153-L177 WeakPolarHBondContact O-CA 3.43Å; L153-E178 PolarHBondContact O-N 3.4Å
154	I	98.9	Very high	96.1	Very high	35 Å²	35	36.9 Å²	36.9	18%	0.179	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	118.4	-179.9	-57	168.9	0	0	0	109.8	W131 L132 S133 V134 A135 T152 E178	W131-I154 HydrophobicContact CH2-CD1 4.06Å; W131-I154 HydrophobicContact CZ2-CD1 3.39Å; L132-I154 PolarHBondContact O-N 3.12Å; S133-I154 WeakPolarHBondContact CA-O 3.13Å; S133-I154 WeakPolarHBondContact OG-CB 3.38Å; V134-I154 PolarHBondContact N-O 3.18Å; A135-I154 HydrophobicContact CB-CG2 4.09Å; T152-I154 HydrophobicContact CG2-CD1 4.3Å; T152-I154 HydrophobicContact CG2-CG1 4.11Å; I154-E178 HydrophobicContact CB-CB 4.39Å; I154-E178 HydrophobicContact CG1-CB 4.21Å; I154-E178 HydrophobicContact CG2-CB 4.2Å; I154-E178 HydrophobicContact CG2-CG 4.19Å
155	L	98.6	Very high	95.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.209	C	C	.	.			trans	-129.2	23.5	-177.8	-63.5	174.9	0	0	0	111.7	F118 V134 I139 M142 L145 L153 N158 I160 E178 L179 N182	F118-L155 HydrophobicContact CE2-CD2 4.3Å; F118-L155 HydrophobicContact CZ-CD2 3.64Å; V134-L155 HydrophobicContact CB-CD2 4.09Å; V134-L155 HydrophobicContact CG2-CD2 4.48Å; I139-L155 HydrophobicContact CD1-CD2 4.39Å; M142-L155 HydrophobicContact CE-CD1 3.73Å; M142-L155 HydrophobicContact CG-CD1 4.43Å; M142-L155 HydrophobicContact SD-CD1 4.5Å; L145-L155 HydrophobicContact CD2-CD1 4.27Å; L153-L155 HydrophobicContact CD1-CD1 4.3Å; L153-L155 HydrophobicContact CD1-CD2 4.18Å; L153-L155 HydrophobicContact CD1-CG 4.05Å; L153-L155 HydrophobicContact CD2-CD1 3.96Å; L153-L155 HydrophobicContact CG-CD1 4.04Å; L153-L155 HydrophobicContact CG-CG 4.03Å; L155-N158 PolarHBondContact O-ND2 3.36Å; L155-I160 HydrophobicContact CB-CD1 4.08Å; L155-I160 HydrophobicContact CD1-CD1 4.1Å; L155-E178 CarbonylContact C-O 3.58Å; L155-E178 WeakPolarHBondContact CA-O 3.43Å; L155-E178 PolarHBondContact N-O 2.96Å; L155-L179 HydrophobicContact CB-CD2 3.82Å; L155-L179 HydrophobicContact CD1-CD2 4.12Å; L155-N182 PolarHBondContact O-ND2 3.12Å
156	S	98.8	Very high	95.3	Very high	24 Å²	24	36.4 Å²	36.4	17%	0.168	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	147.4	-178.8	-44.5	0	0	0	0	112.5	A135 S136 E178 R180	A135-S156 CarbonylContact C-O 3.59Å; A135-S156 WeakPolarHBondContact CA-O 3.49Å; A135-S156 WeakPolarHBondContact CB-O 3.49Å; S136-S156 PolarHBondContact N-O 3.29Å; S156-E178 WeakPolarHBondContact OG-CG 3.45Å; S156-R180 CarbonylContact C-O 3.59Å; S156-R180 WeakPolarHBondContact CA-O 3.45Å; S156-R180 VanDerWaalsContact CB-O 3.32Å; S156-R180 WeakPolarHBondContact CB-O 3.19Å
157	G	98.7	Very high	95.1	Very high	34 Å²	34	41.9 Å²	41.9	35%	0.351	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	33.2	172.7	0	0	0	0	0	113.5	S136 R180 G181	S136-G157 VanDerWaalsContact CA-O 3.22Å; S136-G157 WeakPolarHBondContact CA-O 2.81Å; G157-R180 PolarHBondContact N-O 2.95Å; G157-G181 CarbonylContact C-O 3.42Å; G157-G181 WeakPolarHBondContact CA-O 3.17Å; G157-G181 PolarHBondContact N-O 2.74Å
158	N	98.8	Very high	95	Very high	8 Å²	8	44.6 Å²	44.6	4%	0.043	24%	0.238	C	C	.	.	S	Bend	trans	-105.1	-170.3	171.6	-79.8	-77.8	0	0	0	109.5	V134 N137 Q138 I139 L155 I160 G181 N182	V134-N158 PolarHBondContact O-ND2 3.39Å; N137-N158 VanDerWaalsContact CA-OD1 3.27Å; N137-N158 WeakPolarHBondContact CA-OD1 3.41Å; N137-N158 WeakPolarHBondContact CB-OD1 3.49Å; N137-N158 PolarHBondContact N-OD1 2.93Å; N137-N158 PolarHBondContact O-OD1 3.19Å; Q138-N158 PolarHBondContact N-OD1 3.01Å; I139-N158 HydrophobicContact CB-CB 4.19Å; I139-N158 WeakPolarHBondContact CB-OD1 3.09Å; I139-N158 PolarHBondContact N-OD1 3.07Å; I139-N158 VanDerWaalsContact N-OD1 3.08Å; L155-N158 PolarHBondContact O-ND2 3.36Å; N158-I160 HydrophobicContact CB-CD1 4.25Å; N158-I160 HydrophobicContact CB-CG1 4.05Å; N158-G181 PolarHBondContact N-O 3.38Å; N158-N182 WeakPolarHBondContact CA-OD1 3.28Å; N158-N182 WeakPolarHBondContact CB-OD1 3.12Å; N158-N182 PolarHBondContact N-OD1 3.43Å; N158-N182 PolarHBondContact O-OD1 2.91Å
159	S	98.3	Very high	95	Very high	39 Å²	39	46.3 Å²	46.3	27%	0.273	26%	0.257	S	S	.	.			trans	-112	34.1	177.5	-63.4	0	0	0	0	111.8	I139 Q161 Q183	I139-S159 CarbonylContact O-C 3.36Å; I139-S159 WeakPolarHBondContact O-CA 3.1Å; I139-S159 PolarHBondContact O-N 3.21Å; S159-Q161 PolarHBondContact O-N 3.2Å; S159-Q183 PolarHBondContact OG-NE2 3.49Å
160	I	98.1	Very high	94.8	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.258	C	S	.	.			trans	-71.5	120.4	-175.1	-58	169.9	0	0	0	109.7	I139 V140 M142 L155 N158 K162 I163 L179 N182 Q183 L184	I139-I160 HydrophobicContact CG2-CD1 4.32Å; I139-I160 HydrophobicContact CG2-CG1 4.13Å; I139-I160 WeakPolarHBondContact O-CG1 2.84Å; I139-I160 PolarHBondContact O-N 3.34Å; V140-I160 WeakPolarHBondContact O-CA 3.45Å; M142-I160 HydrophobicContact CE-CD1 3.87Å; M142-I160 HydrophobicContact CE-CG2 4.24Å; M142-I160 HydrophobicContact CG-CD1 4.4Å; L155-I160 HydrophobicContact CB-CD1 4.08Å; L155-I160 HydrophobicContact CD1-CD1 4.1Å; N158-I160 HydrophobicContact CB-CD1 4.25Å; N158-I160 HydrophobicContact CB-CG1 4.05Å; I160-K162 WeakPolarHBondContact CG2-O 3.49Å; I160-I163 HydrophobicContact CG2-CD1 4.49Å; I160-L179 HydrophobicContact CD1-CD2 3.97Å; I160-N182 HydrophobicContact CB-CB 4.28Å; I160-N182 WeakPolarHBondContact CB-OD1 3.16Å; I160-N182 WeakPolarHBondContact CG1-OD1 3.17Å; I160-N182 PolarHBondContact N-OD1 2.92Å; I160-Q183 CarbonylContact O-C 3.55Å; I160-Q183 VanDerWaalsContact O-C 3.29Å; I160-Q183 WeakPolarHBondContact O-CA 3.27Å; I160-Q183 PolarHBondContact O-N 2.77Å; I160-L184 HydrophobicContact CG2-CD2 4.16Å; I160-L184 PolarHBondContact O-N 2.92Å
161	Q	96.3	Very high	94.7	Very high	112 Å²	112	47 Å²	47	52%	0.523	26%	0.258	S	S	.	.			trans	-100	-26.5	-178.9	-69	173.3	16.3	0	0	113.2	V140 S159 Q183	V140-Q161 PolarHBondContact O-N 3.49Å; S159-Q161 PolarHBondContact O-N 3.2Å; Q161-Q183 HydrophobicContact CG-CB 3.77Å
162	K	92.8	Very high	94.4	Very high	158 Å²	158	44.6 Å²	44.6	69%	0.687	25%	0.254	S	S	*	.	S	Bend	trans	-142	145.5	-178.2	-64.5	-178	-177.2	174.4	0	110.8	I160	I160-K162 WeakPolarHBondContact CG2-O 3.49Å
163	I	92.5	Very high	94.3	Very high	17 Å²	17	47.3 Å²	47.3	9%	0.087	27%	0.267	C	S	.	.			trans	-88.4	107.7	170.7	-51.1	-60.6	0	0	0	108.5	M142 I160 L166 L179 L184 S188 F190	M142-I163 HydrophobicContact CE-CD1 3.38Å; M142-I163 HydrophobicContact SD-CD1 4.01Å; M142-I163 HydrophobicContact SD-CG2 4.15Å; I160-I163 HydrophobicContact CG2-CD1 4.49Å; I163-L166 HydrophobicContact CG2-CB 4.08Å; I163-L166 HydrophobicContact CG2-CD1 3.79Å; I163-L166 HydrophobicContact CG2-CG 4.06Å; I163-L179 HydrophobicContact CD1-CD1 3.77Å; I163-L184 HydrophobicContact CD1-CD1 4Å; I163-L184 HydrophobicContact CD1-CD2 3.71Å; I163-L184 HydrophobicContact CG1-CD2 3.93Å; I163-S188 WeakPolarHBondContact CB-O 3.49Å; I163-F190 HydrophobicContact CD1-CE1 4.11Å; I163-F190 HydrophobicContact CD1-CZ 4.19Å; I163-F190 HydrophobicContact CG1-CE1 3.93Å; I163-F190 HydrophobicContact CG1-CZ 3.86Å; I163-F190 HydrophobicContact CG2-CD1 4.09Å; I163-F190 HydrophobicContact CG2-CE1 4.06Å
164	N	89.1	Confident	94.3	Very high	55 Å²	55	47.3 Å²	47.3	29%	0.294	27%	0.267	S	S	.	.			trans	-123.1	153.6	170.7	58.6	-10.1	0	0	0	109.3	M142 L166	M142-N164 WeakPolarHBondContact CB-O 3.44Å; M142-N164 PolarHBondContact N-OD1 2.9Å; N164-L166 VanDerWaalsContact C-N 3.25Å; N164-L166 PolarHBondContact O-N 3.22Å
165	G	80.3	Confident	94.3	Very high	32 Å²	32	47.8 Å²	47.8	33%	0.33	27%	0.271	S	S	.	.	S	Bend	trans	75.6	-10.1	173.8	0	0	0	0	0	117.4	R167	G165-R167 VanDerWaalsContact C-N 3.29Å; G165-R167 PolarHBondContact O-N 3.44Å
166	L	88.6	Confident	94.3	Very high	3 Å²	3	49.9 Å²	49.9	2%	0.016	28%	0.282	C	S	.	.			trans	-79	74.1	172.6	-67.5	-171.6	0	0	0	112.5	M142 L145 L153 I163 N164 F171 L177 F190 D191 L192	M142-L166 HydrophobicContact CE-CD1 4.07Å; M142-L166 HydrophobicContact SD-CD1 3.4Å; M142-L166 WeakPolarHBondContact SD-CD1 3.16Å; M142-L166 HydrophobicContact SD-CD2 3.98Å; M142-L166 HydrophobicContact SD-CG 3.44Å; M142-L166 WeakPolarHBondContact SD-CG 3.01Å; L145-L166 HydrophobicContact CD2-CD2 4.22Å; L153-L166 HydrophobicContact CD2-CD2 4.47Å; I163-L166 HydrophobicContact CG2-CB 4.08Å; I163-L166 HydrophobicContact CG2-CD1 3.79Å; I163-L166 HydrophobicContact CG2-CG 4.06Å; N164-L166 VanDerWaalsContact C-N 3.25Å; N164-L166 PolarHBondContact O-N 3.22Å; L166-F171 HydrophobicContact CD2-CD2 3.83Å; L166-F171 HydrophobicContact CD2-CE2 3.64Å; L166-F171 HydrophobicContact CD2-CG 4.39Å; L166-F171 HydrophobicContact CD2-CZ 4.04Å; L166-L177 HydrophobicContact CD1-CD2 3.69Å; L166-F190 HydrophobicContact CD1-CD1 4.39Å; L166-F190 HydrophobicContact CD1-CE1 4.4Å; L166-D191 PolarHBondContact O-N 3.44Å; L166-L192 HydrophobicContact CB-CD1 4.43Å; L166-L192 HydrophobicContact CD1-CD1 4.22Å
167	R	90.7	Very high	94.3	Very high	163 Å²	163	48.7 Å²	48.7	62%	0.615	27%	0.274	S	S	*	.			trans	-95.3	148.6	179	-60	177.2	178.4	177.4	1.4	111.4	G165 A169 D170 F171 D191	G165-R167 VanDerWaalsContact C-N 3.29Å; G165-R167 PolarHBondContact O-N 3.44Å; R167-A169 PolarHBondContact O-N 3.39Å; R167-D170 PolarHBondContact O-N 2.9Å; R167-F171 PolarHBondContact O-N 3.37Å; R167-F171 VanDerWaalsContact O-N 3.16Å; R167-D191 CarbonylContact C-O 3.19Å
168	N	91.6	Very high	94.3	Very high	58 Å²	58	48.8 Å²	48.8	31%	0.31	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-34	178.6	-175.6	30.8	0	0	0	112.5	D170 F171 A172 D191 P193	N168-D170 PolarHBondContact O-N 3.44Å; N168-F171 PolarHBondContact O-N 3.2Å; N168-A172 WeakPolarHBondContact O-CA 3.22Å; N168-A172 PolarHBondContact O-N 2.93Å; N168-A172 VanDerWaalsContact O-N 3.12Å; N168-D191 VanDerWaalsContact CA-O 3.22Å; N168-D191 WeakPolarHBondContact CA-O 3.43Å; N168-D191 VanDerWaalsContact CB-O 3.28Å; N168-D191 WeakPolarHBondContact CB-O 3.38Å; N168-D191 PolarHBondContact N-O 3.29Å; N168-D191 PolarHBondContact N-OD2 3.18Å; N168-P193 HydrophobicContact CB-CG 4.4Å; N168-P193 WeakPolarHBondContact OD1-CD 3.4Å; N168-P193 WeakPolarHBondContact OD1-CG 3.49Å
169	A	91.7	Very high	94.3	Very high	87 Å²	87	48.4 Å²	48.4	72%	0.719	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-31.6	178.3	0	0	0	0	0	113	R167	R167-A169 PolarHBondContact O-N 3.39Å
170	D	92.8	Very high	94.3	Very high	48 Å²	48	52.2 Å²	52.2	26%	0.257	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-19	-175.5	-57.6	-52.7	0	0	0	112.5	G147 P148 R167 N168	G147-D170 CarbonylContact C-O 3.56Å; G147-D170 PolarHBondContact N-O 3.02Å; G147-D170 VanDerWaalsContact O-O 3.08Å; P148-D170 VanDerWaalsContact CA-O 3.27Å; P148-D170 WeakPolarHBondContact CA-O 3.23Å; P148-D170 VanDerWaalsContact N-O 3.12Å; R167-D170 PolarHBondContact O-N 2.9Å; N168-D170 PolarHBondContact O-N 3.44Å
171	F	95.6	Very high	94.3	Very high	1 Å²	1	53.4 Å²	53.4	0%	0.004	28%	0.284	C	S	.	.			trans	-135.1	39.5	-172.7	-64.2	-75.8	0	0	0	113.1	L145 I150 L166 R167 N168 N173 L174 L192	L145-F171 HydrophobicContact CB-CZ 4.39Å; L145-F171 HydrophobicContact CD2-CZ 4.43Å; L145-F171 HydrophobicContact CG-CE1 4.32Å; L145-F171 HydrophobicContact CG-CZ 3.75Å; L145-F171 WeakPolarHBondContact O-CZ 3.03Å; I150-F171 HydrophobicContact CD1-CE1 4.37Å; L166-F171 HydrophobicContact CD2-CD2 3.83Å; L166-F171 HydrophobicContact CD2-CE2 3.64Å; L166-F171 HydrophobicContact CD2-CG 4.39Å; L166-F171 HydrophobicContact CD2-CZ 4.04Å; R167-F171 PolarHBondContact O-N 3.37Å; R167-F171 VanDerWaalsContact O-N 3.16Å; N168-F171 PolarHBondContact O-N 3.2Å; F171-N173 PolarHBondContact O-N 2.96Å; F171-L174 HydrophobicContact CB-CB 4.01Å; F171-L174 HydrophobicContact CB-CD2 4.3Å; F171-L174 HydrophobicContact CD1-CD2 4.44Å; F171-L174 WeakPolarHBondContact O-CB 3.12Å; F171-L174 PolarHBondContact O-N 3.25Å; F171-L192 HydrophobicContact CB-CD2 3.59Å; F171-L192 HydrophobicContact CG-CD2 4.43Å
172	A	93.6	Very high	94.5	Very high	39 Å²	39	48.4 Å²	48.4	32%	0.322	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-26.4	-175.1	0	0	0	0	0	113.7	N168 N194	N168-A172 WeakPolarHBondContact O-CA 3.22Å; N168-A172 PolarHBondContact O-N 2.93Å; N168-A172 VanDerWaalsContact O-N 3.12Å; A172-N194 PolarHBondContact O-ND2 3.06Å
173	N	96.5	Very high	94.7	Very high	80 Å²	80	44.2 Å²	44.2	43%	0.428	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	0.4	-178.5	-66.5	-49.6	0	0	0	114.3	P148 I150 E151 F171 V175	P148-N173 PolarHBondContact O-ND2 3.1Å; I150-N173 CarbonylContact O-C 3.04Å; I150-N173 VanDerWaalsContact O-C 3.27Å; E151-N173 WeakPolarHBondContact CA-O 3.18Å; E151-N173 HydrophobicContact CG-CB 4.43Å; F171-N173 PolarHBondContact O-N 2.96Å; N173-V175 WeakPolarHBondContact O-CG2 3.41Å; N173-V175 PolarHBondContact O-N 3.09Å
174	L	98.1	Very high	95	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	24%	0.24	C	C	.	.			trans	-69.3	120.2	-171.9	-171	65.6	0	0	0	111.6	I150 L153 F171 I176 L177 L192 N194 L195	I150-L174 HydrophobicContact CG2-CD1 3.89Å; I150-L174 WeakPolarHBondContact O-CA 3.26Å; I150-L174 PolarHBondContact O-N 3.07Å; I150-L174 VanDerWaalsContact O-N 3.16Å; L153-L174 HydrophobicContact CB-CD1 3.75Å; F171-L174 HydrophobicContact CB-CB 4.01Å; F171-L174 HydrophobicContact CB-CD2 4.3Å; F171-L174 HydrophobicContact CD1-CD2 4.44Å; F171-L174 WeakPolarHBondContact O-CB 3.12Å; F171-L174 PolarHBondContact O-N 3.25Å; L174-I176 WeakPolarHBondContact CD1-O 3.24Å; L174-L177 HydrophobicContact CD2-CB 4.42Å; L174-L192 HydrophobicContact CD2-CD1 3.83Å; L174-L192 HydrophobicContact CD2-CD2 4.16Å; L174-N194 CarbonylContact O-C 3.41Å; L174-L195 HydrophobicContact CD2-CD1 4.39Å; L174-L195 HydrophobicContact CG-CD1 4.09Å; L174-L195 WeakPolarHBondContact O-CA 3.34Å; L174-L195 PolarHBondContact O-N 3Å
175	V	98.6	Very high	95.4	Very high	44 Å²	44	45.7 Å²	45.7	27%	0.267	25%	0.248	S	C	.	.			trans	-108.5	-37.2	-177.4	-179.2	0	0	0	0	111.6	E151 N173 R196 K197	E151-V175 PolarHBondContact O-N 2.97Å; N173-V175 WeakPolarHBondContact O-CG2 3.41Å; N173-V175 PolarHBondContact O-N 3.09Å; V175-R196 HydrophobicContact CG1-CB 3.86Å; V175-R196 HydrophobicContact CG1-CG 3.88Å; V175-R196 PolarHBondContact O-N 2.82Å; V175-K197 PolarHBondContact O-N 3.2Å
176	I	98.9	Very high	96.3	Very high	44 Å²	44	45.1 Å²	45.1	23%	0.226	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	123.1	-175.3	-54.9	-179.2	0	0	0	109.4	E151 T152 L153 L174 K197 Y199	E151-I176 PolarHBondContact O-N 3.39Å; T152-I176 WeakPolarHBondContact CA-O 3.36Å; T152-I176 HydrophobicContact CG2-CB 4.16Å; T152-I176 HydrophobicContact CG2-CG2 4.28Å; L153-I176 PolarHBondContact N-O 3.42Å; L174-I176 WeakPolarHBondContact CD1-O 3.24Å; I176-K197 HydrophobicContact CD1-CD 4.24Å; I176-K197 HydrophobicContact CG1-CB 4.31Å; I176-K197 HydrophobicContact CG1-CD 4.21Å; I176-K197 HydrophobicContact CG1-CG 4.47Å; I176-K197 HydrophobicContact CG2-CB 4.37Å; I176-Y199 HydrophobicContact CG2-CE2 4.12Å
177	L	98.8	Very high	96.7	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	120.9	173.6	179.4	57	0	0	0	109.9	L153 L166 L174 L179 F190 L192 L195 K197 L198 Y199	L153-L177 HydrophobicContact CB-CD1 4.06Å; L153-L177 HydrophobicContact CD2-CD1 3.84Å; L153-L177 HydrophobicContact CG-CD1 3.95Å; L153-L177 WeakPolarHBondContact O-CA 3.43Å; L166-L177 HydrophobicContact CD1-CD2 3.69Å; L174-L177 HydrophobicContact CD2-CB 4.42Å; L177-L179 HydrophobicContact CD1-CD1 4.22Å; L177-L179 HydrophobicContact CD1-CG 4.12Å; L177-L179 HydrophobicContact CD2-CD1 3.76Å; L177-L179 HydrophobicContact CG-CD1 3.82Å; L177-L179 HydrophobicContact CG-CG 4.08Å; L177-F190 HydrophobicContact CD2-CD1 4.16Å; L177-F190 HydrophobicContact CD2-CE1 3.68Å; L177-L192 HydrophobicContact CD2-CD1 4.07Å; L177-L195 HydrophobicContact CB-CD1 3.75Å; L177-L195 HydrophobicContact CB-CD2 4.33Å; L177-K197 PolarHBondContact N-O 3.07Å; L177-L198 HydrophobicContact CB-CD1 4.16Å; L177-L198 HydrophobicContact CD2-CD1 4.04Å; L177-L198 HydrophobicContact CG-CD1 4.1Å; L177-Y199 PolarHBondContact O-N 3.2Å
178	E	98.8	Very high	96.9	Very high	36 Å²	36	39.5 Å²	39.5	17%	0.168	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	116.8	179.1	-178.5	75.2	-128.4	0	0	110.5	L153 I154 L155 S156 R180 Y199	L153-E178 PolarHBondContact O-N 3.4Å; I154-E178 HydrophobicContact CB-CB 4.39Å; I154-E178 HydrophobicContact CG1-CB 4.21Å; I154-E178 HydrophobicContact CG2-CB 4.2Å; I154-E178 HydrophobicContact CG2-CG 4.19Å; L155-E178 CarbonylContact C-O 3.58Å; L155-E178 WeakPolarHBondContact CA-O 3.43Å; L155-E178 PolarHBondContact N-O 2.96Å; S156-E178 WeakPolarHBondContact OG-CG 3.45Å; E178-R180 WeakPolarHBondContact OE1-CB 3.3Å; E178-Y199 WeakPolarHBondContact OE1-CB 3.48Å; E178-Y199 WeakPolarHBondContact OE2-CB 3.15Å; E178-Y199 WeakPolarHBondContact OE2-CD2 3.39Å
179	L	98.8	Very high	96.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	23%	0.229	C	C	.	.			trans	-128.3	19.4	-176.3	-74.6	164.2	0	0	0	112.2	M142 L155 I160 I163 L177 N182 L184 F190 L198 Y199 L200 N203	M142-L179 HydrophobicContact CE-CD1 4.02Å; M142-L179 HydrophobicContact CE-CD2 3.28Å; M142-L179 HydrophobicContact CE-CG 4.23Å; L155-L179 HydrophobicContact CB-CD2 3.82Å; L155-L179 HydrophobicContact CD1-CD2 4.12Å; I160-L179 HydrophobicContact CD1-CD2 3.97Å; I163-L179 HydrophobicContact CD1-CD1 3.77Å; L177-L179 HydrophobicContact CD1-CD1 4.22Å; L177-L179 HydrophobicContact CD1-CG 4.12Å; L177-L179 HydrophobicContact CD2-CD1 3.76Å; L177-L179 HydrophobicContact CG-CD1 3.82Å; L177-L179 HydrophobicContact CG-CG 4.08Å; L179-N182 PolarHBondContact O-ND2 3.33Å; L179-L184 HydrophobicContact CB-CD1 4.35Å; L179-L184 HydrophobicContact CD1-CD1 4.28Å; L179-F190 HydrophobicContact CD1-CE1 4.01Å; L179-F190 HydrophobicContact CD1-CZ 4.09Å; L179-L198 HydrophobicContact CD1-CD1 4.5Å; L179-Y199 CarbonylContact C-O 3.08Å; L179-Y199 WeakPolarHBondContact CA-O 3.48Å; L179-Y199 PolarHBondContact N-O 2.73Å; L179-L200 HydrophobicContact CB-CD2 3.83Å; L179-L200 HydrophobicContact CD1-CD2 3.94Å; L179-N203 PolarHBondContact O-ND2 2.81Å
180	R	98.8	Very high	96.8	Very high	119 Å²	119	34.7 Å²	34.7	45%	0.449	20%	0.196	S	C	.	.			trans	-56.8	140.7	178.3	169.6	-180	176.1	-148.5	-4.8	112.8	S156 G157 E178 Y199 A201 Q202	S156-R180 CarbonylContact C-O 3.59Å; S156-R180 WeakPolarHBondContact CA-O 3.45Å; S156-R180 VanDerWaalsContact CB-O 3.32Å; S156-R180 WeakPolarHBondContact CB-O 3.19Å; G157-R180 PolarHBondContact N-O 2.95Å; E178-R180 WeakPolarHBondContact OE1-CB 3.3Å; R180-Y199 PolarHBondContact N-O 2.93Å; R180-A201 CarbonylContact C-O 3.23Å; R180-A201 WeakPolarHBondContact CA-O 3.48Å; R180-A201 HydrophobicContact CB-CB 4.37Å; R180-A201 HydrophobicContact CG-CB 4.06Å; R180-A201 WeakPolarHBondContact CG-O 3.5Å; R180-Q202 HydrophobicContact CG-CB 4.39Å; R180-Q202 VanDerWaalsContact CZ-OE1 3.26Å
181	G	98.7	Very high	96.8	Very high	25 Å²	25	34.8 Å²	34.8	26%	0.258	20%	0.197	S	C	.	.	S	Bend	trans	69.4	46.1	175.1	0	0	0	0	0	112	G157 N158 A201 Q202	G157-G181 CarbonylContact C-O 3.42Å; G157-G181 WeakPolarHBondContact CA-O 3.17Å; G157-G181 PolarHBondContact N-O 2.74Å; N158-G181 PolarHBondContact N-O 3.38Å; G181-A201 PolarHBondContact N-O 2.78Å; G181-Q202 WeakPolarHBondContact CA-O 3.33Å; G181-Q202 PolarHBondContact N-O 3.22Å; G181-Q202 VanDerWaalsContact N-O 3.11Å
182	N	98.8	Very high	96.8	Very high	6 Å²	6	34.9 Å²	34.9	3%	0.032	20%	0.197	C	C	.	.	S	Bend	trans	-118.7	-167.2	172.3	-82.8	-78.2	0	0	0	109	L155 N158 I160 L179 Q202 N203	L155-N182 PolarHBondContact O-ND2 3.12Å; N158-N182 WeakPolarHBondContact CA-OD1 3.28Å; N158-N182 WeakPolarHBondContact CB-OD1 3.12Å; N158-N182 PolarHBondContact N-OD1 3.43Å; N158-N182 PolarHBondContact O-OD1 2.91Å; I160-N182 HydrophobicContact CB-CB 4.28Å; I160-N182 WeakPolarHBondContact CB-OD1 3.16Å; I160-N182 WeakPolarHBondContact CG1-OD1 3.17Å; I160-N182 PolarHBondContact N-OD1 2.92Å; L179-N182 PolarHBondContact O-ND2 3.33Å; N182-Q202 PolarHBondContact N-O 2.95Å; N182-N203 VanDerWaalsContact CA-OD1 3.29Å; N182-N203 WeakPolarHBondContact CA-OD1 3.31Å; N182-N203 WeakPolarHBondContact CB-OD1 3.45Å; N182-N203 PolarHBondContact N-OD1 2.81Å; N182-N203 PolarHBondContact O-OD1 3.49Å
183	Q	98.5	Very high	96.8	Very high	70 Å²	70	34.8 Å²	34.8	33%	0.327	19%	0.193	S	C	.	.			trans	-117.3	30	-174.7	-55.4	-179.7	4	0	0	111.9	S159 I160 Q161 N203 F204	S159-Q183 PolarHBondContact OG-NE2 3.49Å; I160-Q183 CarbonylContact O-C 3.55Å; I160-Q183 VanDerWaalsContact O-C 3.29Å; I160-Q183 WeakPolarHBondContact O-CA 3.27Å; I160-Q183 PolarHBondContact O-N 2.77Å; Q161-Q183 HydrophobicContact CG-CB 3.77Å; Q183-N203 PolarHBondContact N-OD1 3.28Å; Q183-F204 HydrophobicContact CB-CD2 4.14Å; Q183-F204 HydrophobicContact CB-CE2 4.11Å; Q183-F204 HydrophobicContact CG-CE2 4.07Å
184	L	98.4	Very high	96.8	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.01	19%	0.185	C	C	.	.			trans	-70.9	132.9	-178.3	-63	168.9	0	0	0	111	I160 I163 L179 L200 N203 F204 I205	I160-L184 HydrophobicContact CG2-CD2 4.16Å; I160-L184 PolarHBondContact O-N 2.92Å; I163-L184 HydrophobicContact CD1-CD1 4Å; I163-L184 HydrophobicContact CD1-CD2 3.71Å; I163-L184 HydrophobicContact CG1-CD2 3.93Å; L179-L184 HydrophobicContact CB-CD1 4.35Å; L179-L184 HydrophobicContact CD1-CD1 4.28Å; L184-L200 HydrophobicContact CD1-CD2 3.53Å; L184-N203 HydrophobicContact CB-CB 4.27Å; L184-N203 WeakPolarHBondContact CB-OD1 3.13Å; L184-N203 WeakPolarHBondContact CG-OD1 3.47Å; L184-N203 PolarHBondContact N-OD1 2.9Å; L184-F204 CarbonylContact O-C 3.48Å; L184-F204 WeakPolarHBondContact O-CA 3.28Å; L184-F204 PolarHBondContact O-N 3.37Å; L184-I205 HydrophobicContact CB-CG1 4.15Å; L184-I205 WeakPolarHBondContact O-CG1 3.39Å; L184-I205 PolarHBondContact O-N 3.26Å; L184-I205 VanDerWaalsContact O-N 3.09Å
185	E	97.9	Very high	96.8	Very high	101 Å²	101	33.2 Å²	33.2	47%	0.472	19%	0.185	S	C	.	.	S	Bend	trans	-99.8	-17	175.6	-68.5	-167.8	-156.9	0	0	114.1	F204 I205 K206	E185-F204 WeakPolarHBondContact CA-O 3.28Å; E185-F204 HydrophobicContact CG-CB 4.39Å; E185-I205 WeakPolarHBondContact O-CA 3.15Å; E185-K206 PolarHBondContact O-N 3.15Å; E185-K206 IonicContact OE2-NZ 3.45Å
186	T	97.8	Very high	96.8	Very high	21 Å²	21	36.7 Å²	36.7	13%	0.129	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-143.2	170.6	176.9	79.3	0	0	0	0	110.3	S188 R207	T186-S188 PolarHBondContact OG1-N 3Å; T186-S188 PolarHBondContact OG1-OG 3.28Å; T186-R207 WeakPolarHBondContact CA-O 3.26Å; T186-R207 HydrophobicContact CG2-CG 3.67Å; T186-R207 VanDerWaalsContact CG2-CZ 3.46Å
187	T	96.6	Very high	96.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.199	C	C	.	.			trans	-95.2	14.3	172.1	64.2	0	0	0	0	113.6	F190 L200 I205 L208 E209 L211 L222	T187-F190 WeakPolarHBondContact O-CD2 3.34Å; T187-F190 WeakPolarHBondContact O-CE2 3.33Å; T187-L200 HydrophobicContact CG2-CD1 3.87Å; T187-I205 HydrophobicContact CG2-CD1 4.12Å; T187-I205 HydrophobicContact CG2-CG2 4.08Å; T187-L208 HydrophobicContact CG2-CD2 3.78Å; T187-L208 WeakPolarHBondContact OG1-CA 3.5Å; T187-E209 CarbonylContact C-O 3.03Å; T187-E209 PolarHBondContact OG1-N 3.43Å; T187-E209 PolarHBondContact OG1-O 2.98Å; T187-L211 HydrophobicContact CG2-CD2 4.47Å; T187-L222 HydrophobicContact CG2-CD2 4.25Å
188	S	95.1	Very high	96.8	Very high	47 Å²	47	38.3 Å²	38.3	33%	0.329	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	159.3	-178	66.8	0	0	0	0	112.3	I163 T186 E209	I163-S188 WeakPolarHBondContact CB-O 3.49Å; T186-S188 PolarHBondContact OG1-N 3Å; T186-S188 PolarHBondContact OG1-OG 3.28Å; S188-E209 WeakPolarHBondContact CB-OE2 3.47Å; S188-E209 PolarHBondContact N-O 2.97Å
189	G	91.9	Very high	96.8	Very high	40 Å²	40	39.4 Å²	39.4	41%	0.412	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.2	-0.5	174.1	0	0	0	0	0	115.7
190	F	90.6	Very high	96.8	Very high	4 Å²	4	39.4 Å²	39.4	2%	0.018	20%	0.201	C	C	.	.			trans	-80	127.5	172.1	-58	-65.7	0	0	0	111.9	I163 L166 L177 L179 T187 L192 L198 L200 K213 L214	I163-F190 HydrophobicContact CD1-CE1 4.11Å; I163-F190 HydrophobicContact CD1-CZ 4.19Å; I163-F190 HydrophobicContact CG1-CE1 3.93Å; I163-F190 HydrophobicContact CG1-CZ 3.86Å; I163-F190 HydrophobicContact CG2-CD1 4.09Å; I163-F190 HydrophobicContact CG2-CE1 4.06Å; L166-F190 HydrophobicContact CD1-CD1 4.39Å; L166-F190 HydrophobicContact CD1-CE1 4.4Å; L177-F190 HydrophobicContact CD2-CD1 4.16Å; L177-F190 HydrophobicContact CD2-CE1 3.68Å; L179-F190 HydrophobicContact CD1-CE1 4.01Å; L179-F190 HydrophobicContact CD1-CZ 4.09Å; T187-F190 WeakPolarHBondContact O-CD2 3.34Å; T187-F190 WeakPolarHBondContact O-CE2 3.33Å; F190-L192 HydrophobicContact CD1-CD1 4.19Å; F190-L198 HydrophobicContact CD2-CD2 4.24Å; F190-L198 HydrophobicContact CE1-CD1 4.21Å; F190-L198 HydrophobicContact CE2-CD2 3.89Å; F190-L198 HydrophobicContact CZ-CD1 4.05Å; F190-L198 HydrophobicContact CZ-CD2 4.09Å; F190-L200 HydrophobicContact CE2-CD1 4.43Å; F190-L200 HydrophobicContact CZ-CD2 4.23Å; F190-K213 WeakPolarHBondContact O-CD 3.38Å; F190-L214 HydrophobicContact CB-CD1 4.35Å; F190-L214 HydrophobicContact CB-CD2 4Å; F190-L214 HydrophobicContact CB-CG 4.47Å; F190-L214 HydrophobicContact CD2-CD1 4.38Å; F190-L214 HydrophobicContact CG-CD1 4.5Å
191	D	92.4	Very high	96.8	Very high	51 Å²	51	34 Å²	34	27%	0.273	18%	0.182	S	C	.	.			trans	-128.3	64.2	169	-172.9	56.8	0	0	0	109	L166 R167 N168 K213	L166-D191 PolarHBondContact O-N 3.44Å; R167-D191 CarbonylContact C-O 3.19Å; N168-D191 VanDerWaalsContact CA-O 3.22Å; N168-D191 WeakPolarHBondContact CA-O 3.43Å; N168-D191 VanDerWaalsContact CB-O 3.28Å; N168-D191 WeakPolarHBondContact CB-O 3.38Å; N168-D191 PolarHBondContact N-O 3.29Å; N168-D191 PolarHBondContact N-OD2 3.18Å; D191-K213 HydrophobicContact CB-CD 4.43Å; D191-K213 WeakPolarHBondContact OD1-CD 3.27Å; D191-K213 IonicContact OD1-NZ 2.72Å; D191-K213 PolarHBondContact OD1-NZ 2.98Å
192	L	95.1	Very high	96.8	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.01	19%	0.187	C	C	.	.			trans	-131.1	74.4	-167.5	-62.3	171.9	0	0	0	111.9	L166 F171 L174 L177 F190 N194 L195 L214	L166-L192 HydrophobicContact CB-CD1 4.43Å; L166-L192 HydrophobicContact CD1-CD1 4.22Å; F171-L192 HydrophobicContact CB-CD2 3.59Å; F171-L192 HydrophobicContact CG-CD2 4.43Å; L174-L192 HydrophobicContact CD2-CD1 3.83Å; L174-L192 HydrophobicContact CD2-CD2 4.16Å; L177-L192 HydrophobicContact CD2-CD1 4.07Å; F190-L192 HydrophobicContact CD1-CD1 4.19Å; L192-N194 PolarHBondContact O-N 3.04Å; L192-N194 VanDerWaalsContact O-N 3.1Å; L192-L195 HydrophobicContact CB-CB 3.97Å; L192-L195 HydrophobicContact CD1-CD2 4.26Å; L192-L195 VanDerWaalsContact O-CB 3.31Å; L192-L195 WeakPolarHBondContact O-CB 3.19Å; L192-L195 PolarHBondContact O-N 2.88Å; L192-L195 VanDerWaalsContact O-N 3.09Å; L192-L214 HydrophobicContact CB-CD2 4.01Å; L192-L214 VanDerWaalsContact O-CD2 3.31Å; L192-L214 WeakPolarHBondContact O-CD2 3.47Å
193	P	94	Very high	96.8	Very high	38 Å²	38	36.5 Å²	36.5	25%	0.247	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-17.4	-173.2	27	-35.8	0	0	0	114.3	N168 K213 R216	N168-P193 HydrophobicContact CB-CG 4.4Å; N168-P193 WeakPolarHBondContact OD1-CD 3.4Å; N168-P193 WeakPolarHBondContact OD1-CG 3.49Å; P193-K213 WeakPolarHBondContact CA-O 3.49Å; P193-R216 WeakPolarHBondContact O-CB 3.26Å; P193-R216 WeakPolarHBondContact O-CD 3.14Å; P193-R216 WeakPolarHBondContact O-CG 3.15Å
194	N	96.4	Very high	96.9	Very high	47 Å²	47	37.9 Å²	37.9	25%	0.251	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-6.7	178.2	-69.8	-47.6	0	0	0	114.4	A172 L174 L192 R196 R216	A172-N194 PolarHBondContact O-ND2 3.06Å; L174-N194 CarbonylContact O-C 3.41Å; L192-N194 PolarHBondContact O-N 3.04Å; L192-N194 VanDerWaalsContact O-N 3.1Å; N194-R196 PolarHBondContact O-N 3.25Å; N194-R216 PolarHBondContact OD1-NH1 3.24Å
195	L	98.2	Very high	96.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.192	C	C	.	.			trans	-64.2	132.7	-177.2	-165.1	70.8	0	0	0	110.7	L174 L177 L192 L198 L214 R216 L217	L174-L195 HydrophobicContact CD2-CD1 4.39Å; L174-L195 HydrophobicContact CG-CD1 4.09Å; L174-L195 WeakPolarHBondContact O-CA 3.34Å; L174-L195 PolarHBondContact O-N 3Å; L177-L195 HydrophobicContact CB-CD1 3.75Å; L177-L195 HydrophobicContact CB-CD2 4.33Å; L192-L195 HydrophobicContact CB-CB 3.97Å; L192-L195 HydrophobicContact CD1-CD2 4.26Å; L192-L195 VanDerWaalsContact O-CB 3.31Å; L192-L195 WeakPolarHBondContact O-CB 3.19Å; L192-L195 PolarHBondContact O-N 2.88Å; L192-L195 VanDerWaalsContact O-N 3.09Å; L195-L198 HydrophobicContact CD2-CB 3.93Å; L195-L198 HydrophobicContact CD2-CD1 4.2Å; L195-L198 HydrophobicContact CD2-CD2 4.3Å; L195-L198 HydrophobicContact CD2-CG 4.37Å; L195-L214 HydrophobicContact CB-CD2 4.38Å; L195-L214 HydrophobicContact CD2-CD1 4.48Å; L195-L214 HydrophobicContact CD2-CD2 4.32Å; L195-R216 CarbonylContact O-C 3.41Å; L195-L217 HydrophobicContact CD2-CD1 4.2Å; L195-L217 HydrophobicContact CG-CD1 4.21Å; L195-L217 WeakPolarHBondContact O-CA 3.49Å; L195-L217 PolarHBondContact O-N 3.03Å; L195-L217 VanDerWaalsContact O-N 3.15Å
196	R	98.8	Very high	96.9	Very high	117 Å²	117	37.6 Å²	37.6	44%	0.442	19%	0.189	S	C	.	.			trans	-111.9	-33.2	179.2	-63	-175.2	-176.3	-93.8	4	112.4	V175 N194 T218 T219	V175-R196 HydrophobicContact CG1-CB 3.86Å; V175-R196 HydrophobicContact CG1-CG 3.88Å; V175-R196 PolarHBondContact O-N 2.82Å; N194-R196 PolarHBondContact O-N 3.25Å; R196-T218 PolarHBondContact O-N 3.43Å; R196-T218 PolarHBondContact O-OG1 3.12Å; R196-T218 VanDerWaalsContact O-OG1 3.13Å; R196-T219 PolarHBondContact O-N 2.88Å
197	K	98.9	Very high	96.9	Very high	79 Å²	79	42.7 Å²	42.7	34%	0.343	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	121.6	-177.7	-54.6	-175.6	-177.6	176.6	0	110.1	V175 I176 L177 Y199	V175-K197 PolarHBondContact O-N 3.2Å; I176-K197 HydrophobicContact CD1-CD 4.24Å; I176-K197 HydrophobicContact CG1-CB 4.31Å; I176-K197 HydrophobicContact CG1-CD 4.21Å; I176-K197 HydrophobicContact CG1-CG 4.47Å; I176-K197 HydrophobicContact CG2-CB 4.37Å; L177-K197 PolarHBondContact N-O 3.07Å; K197-Y199 HydrophobicContact CB-CD2 4.39Å; K197-Y199 HydrophobicContact CB-CE2 3.66Å; K197-Y199 HydrophobicContact CD-CE2 4.31Å
198	L	98.8	Very high	96.9	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	118.8	177.6	-179.9	54.5	0	0	0	109.3	L177 L179 F190 L195 L200 L214 L217 T219 L220 H221	L177-L198 HydrophobicContact CB-CD1 4.16Å; L177-L198 HydrophobicContact CD2-CD1 4.04Å; L177-L198 HydrophobicContact CG-CD1 4.1Å; L179-L198 HydrophobicContact CD1-CD1 4.5Å; F190-L198 HydrophobicContact CD2-CD2 4.24Å; F190-L198 HydrophobicContact CE1-CD1 4.21Å; F190-L198 HydrophobicContact CE2-CD2 3.89Å; F190-L198 HydrophobicContact CZ-CD1 4.05Å; F190-L198 HydrophobicContact CZ-CD2 4.09Å; L195-L198 HydrophobicContact CD2-CB 3.93Å; L195-L198 HydrophobicContact CD2-CD1 4.2Å; L195-L198 HydrophobicContact CD2-CD2 4.3Å; L195-L198 HydrophobicContact CD2-CG 4.37Å; L198-L200 HydrophobicContact CD1-CD1 4.19Å; L198-L200 HydrophobicContact CD1-CD2 4.3Å; L198-L200 HydrophobicContact CD1-CG 3.98Å; L198-L200 HydrophobicContact CD2-CD1 3.76Å; L198-L200 HydrophobicContact CD2-CG 4.45Å; L198-L200 HydrophobicContact CG-CD1 3.75Å; L198-L200 HydrophobicContact CG-CG 3.93Å; L198-L214 HydrophobicContact CD2-CD1 3.84Å; L198-L217 HydrophobicContact CB-CD1 3.66Å; L198-L217 HydrophobicContact CB-CD2 4.41Å; L198-T219 PolarHBondContact N-O 3.29Å; L198-L220 HydrophobicContact CB-CD1 4.18Å; L198-L220 HydrophobicContact CD2-CD1 4.02Å; L198-L220 HydrophobicContact CG-CD1 4.09Å; L198-H221 PolarHBondContact O-N 3.2Å
199	Y	98.9	Very high	97	Very high	58 Å²	58	44.2 Å²	44.2	23%	0.227	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	116.4	-180	-57.9	-91.8	0	0	0	110.1	I176 L177 E178 L179 R180 K197 T219 H221	I176-Y199 HydrophobicContact CG2-CE2 4.12Å; L177-Y199 PolarHBondContact O-N 3.2Å; E178-Y199 WeakPolarHBondContact OE1-CB 3.48Å; E178-Y199 WeakPolarHBondContact OE2-CB 3.15Å; E178-Y199 WeakPolarHBondContact OE2-CD2 3.39Å; L179-Y199 CarbonylContact C-O 3.08Å; L179-Y199 WeakPolarHBondContact CA-O 3.48Å; L179-Y199 PolarHBondContact N-O 2.73Å; R180-Y199 PolarHBondContact N-O 2.93Å; K197-Y199 HydrophobicContact CB-CD2 4.39Å; K197-Y199 HydrophobicContact CB-CE2 3.66Å; K197-Y199 HydrophobicContact CD-CE2 4.31Å; Y199-T219 HydrophobicContact CE1-CG2 4.45Å; Y199-H221 HydrophobicContact CD1-CB 3.69Å; Y199-H221 HydrophobicContact CE1-CB 4.41Å; Y199-H221 HydrophobicContact CG-CB 4.43Å
200	L	98.8	Very high	97.1	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.196	C	C	.	.			trans	-128.5	21.7	-173.5	-70.4	166.3	0	0	0	111.2	L179 L184 T187 F190 L198 N203 I205 L220 H221 L222 N225	L179-L200 HydrophobicContact CB-CD2 3.83Å; L179-L200 HydrophobicContact CD1-CD2 3.94Å; L184-L200 HydrophobicContact CD1-CD2 3.53Å; T187-L200 HydrophobicContact CG2-CD1 3.87Å; F190-L200 HydrophobicContact CE2-CD1 4.43Å; F190-L200 HydrophobicContact CZ-CD2 4.23Å; L198-L200 HydrophobicContact CD1-CD1 4.19Å; L198-L200 HydrophobicContact CD1-CD2 4.3Å; L198-L200 HydrophobicContact CD1-CG 3.98Å; L198-L200 HydrophobicContact CD2-CD1 3.76Å; L198-L200 HydrophobicContact CD2-CG 4.45Å; L198-L200 HydrophobicContact CG-CD1 3.75Å; L198-L200 HydrophobicContact CG-CG 3.93Å; L200-N203 PolarHBondContact O-ND2 3.45Å; L200-N203 VanDerWaalsContact O-ND2 3.07Å; L200-I205 HydrophobicContact CB-CD1 3.79Å; L200-I205 HydrophobicContact CD1-CD1 4.09Å; L200-I205 HydrophobicContact CD2-CD1 4.28Å; L200-I205 HydrophobicContact CG-CD1 4.29Å; L200-L220 HydrophobicContact CD1-CD1 4.22Å; L200-H221 CarbonylContact C-O 3.19Å; L200-H221 WeakPolarHBondContact CA-O 2.99Å; L200-H221 PolarHBondContact N-O 2.85Å; L200-L222 HydrophobicContact CB-CD2 3.93Å; L200-L222 HydrophobicContact CD1-CD2 3.94Å; L200-N225 PolarHBondContact O-ND2 2.97Å
201	A	98.9	Very high	97.3	Very high	5 Å²	5	42.9 Å²	42.9	4%	0.041	20%	0.196	C	C	.	.			trans	-61.9	152.7	-177.7	0	0	0	0	0	111.8	R180 G181 N203 H221 R223	R180-A201 CarbonylContact C-O 3.23Å; R180-A201 WeakPolarHBondContact CA-O 3.48Å; R180-A201 HydrophobicContact CB-CB 4.37Å; R180-A201 HydrophobicContact CG-CB 4.06Å; R180-A201 WeakPolarHBondContact CG-O 3.5Å; G181-A201 PolarHBondContact N-O 2.78Å; A201-N203 PolarHBondContact O-N 3.29Å; A201-N203 PolarHBondContact O-ND2 3.29Å; A201-H221 PolarHBondContact N-O 2.87Å; A201-R223 CarbonylContact C-O 3.57Å; A201-R223 WeakPolarHBondContact CA-O 3.5Å; A201-R223 HydrophobicContact CB-CB 4.24Å; A201-R223 WeakPolarHBondContact CB-O 3.26Å
202	Q	98.8	Very high	97.4	Very high	78 Å²	78	44.5 Å²	44.5	36%	0.364	20%	0.202	S	C	.	.	S	Bend	trans	55.9	53.6	175	-58.6	-179.3	-39.4	0	0	111.7	R180 G181 N182 R223 D224	R180-Q202 HydrophobicContact CG-CB 4.39Å; R180-Q202 VanDerWaalsContact CZ-OE1 3.26Å; G181-Q202 WeakPolarHBondContact CA-O 3.33Å; G181-Q202 PolarHBondContact N-O 3.22Å; G181-Q202 VanDerWaalsContact N-O 3.11Å; N182-Q202 PolarHBondContact N-O 2.95Å; Q202-R223 PolarHBondContact N-O 3.21Å; Q202-D224 WeakPolarHBondContact CA-O 3.36Å; Q202-D224 HydrophobicContact CG-CB 3.81Å; Q202-D224 PolarHBondContact N-O 3.22Å; Q202-D224 VanDerWaalsContact N-O 3.14Å
203	N	98.9	Very high	97.2	Very high	6 Å²	6	48.7 Å²	48.7	3%	0.032	22%	0.22	C	C	.	.	S	Bend	trans	-122	-168.3	169.9	-83.3	-90.8	0	0	0	108.2	L179 N182 Q183 L184 L200 A201 I205 D224 N225	L179-N203 PolarHBondContact O-ND2 2.81Å; N182-N203 VanDerWaalsContact CA-OD1 3.29Å; N182-N203 WeakPolarHBondContact CA-OD1 3.31Å; N182-N203 WeakPolarHBondContact CB-OD1 3.45Å; N182-N203 PolarHBondContact N-OD1 2.81Å; N182-N203 PolarHBondContact O-OD1 3.49Å; Q183-N203 PolarHBondContact N-OD1 3.28Å; L184-N203 HydrophobicContact CB-CB 4.27Å; L184-N203 WeakPolarHBondContact CB-OD1 3.13Å; L184-N203 WeakPolarHBondContact CG-OD1 3.47Å; L184-N203 PolarHBondContact N-OD1 2.9Å; L200-N203 PolarHBondContact O-ND2 3.45Å; L200-N203 VanDerWaalsContact O-ND2 3.07Å; A201-N203 PolarHBondContact O-N 3.29Å; A201-N203 PolarHBondContact O-ND2 3.29Å; N203-I205 HydrophobicContact CB-CD1 4.11Å; N203-I205 HydrophobicContact CB-CG1 3.97Å; N203-D224 PolarHBondContact N-O 2.87Å; N203-N225 WeakPolarHBondContact CA-OD1 3.49Å; N203-N225 WeakPolarHBondContact CB-OD1 3.4Å; N203-N225 PolarHBondContact N-OD1 3.35Å; N203-N225 PolarHBondContact O-OD1 2.69Å
204	F	98.7	Very high	97.3	Very high	100 Å²	100	46.9 Å²	46.9	44%	0.439	21%	0.208	S	C	.	.			trans	-111.6	32	176.2	-54.9	-63.7	0	0	0	111.6	Q183 L184 E185 K206	Q183-F204 HydrophobicContact CB-CD2 4.14Å; Q183-F204 HydrophobicContact CB-CE2 4.11Å; Q183-F204 HydrophobicContact CG-CE2 4.07Å; L184-F204 CarbonylContact O-C 3.48Å; L184-F204 WeakPolarHBondContact O-CA 3.28Å; L184-F204 PolarHBondContact O-N 3.37Å; E185-F204 WeakPolarHBondContact CA-O 3.28Å; E185-F204 HydrophobicContact CG-CB 4.39Å; F204-K206 PolarHBondContact O-N 3.11Å
205	I	98.8	Very high	97.2	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	22%	0.222	C	C	.	.			trans	-68.4	119.1	-171.6	-62.1	167	0	0	0	109.5	L184 E185 T187 L200 N203 R207 L208 L222 N225 Q226 L227	L184-I205 HydrophobicContact CB-CG1 4.15Å; L184-I205 WeakPolarHBondContact O-CG1 3.39Å; L184-I205 PolarHBondContact O-N 3.26Å; L184-I205 VanDerWaalsContact O-N 3.09Å; E185-I205 WeakPolarHBondContact O-CA 3.15Å; T187-I205 HydrophobicContact CG2-CD1 4.12Å; T187-I205 HydrophobicContact CG2-CG2 4.08Å; L200-I205 HydrophobicContact CB-CD1 3.79Å; L200-I205 HydrophobicContact CD1-CD1 4.09Å; L200-I205 HydrophobicContact CD2-CD1 4.28Å; L200-I205 HydrophobicContact CG-CD1 4.29Å; N203-I205 HydrophobicContact CB-CD1 4.11Å; N203-I205 HydrophobicContact CB-CG1 3.97Å; I205-R207 WeakPolarHBondContact CG2-O 3.44Å; I205-L208 HydrophobicContact CG2-CD2 4.38Å; I205-L222 HydrophobicContact CD1-CD2 3.77Å; I205-N225 HydrophobicContact CB-CB 4.24Å; I205-N225 VanDerWaalsContact CB-OD1 3.28Å; I205-N225 WeakPolarHBondContact CB-OD1 3.41Å; I205-N225 WeakPolarHBondContact CG1-OD1 3.5Å; I205-N225 PolarHBondContact N-OD1 2.81Å; I205-Q226 CarbonylContact O-C 3.27Å; I205-Q226 WeakPolarHBondContact O-CA 3.48Å; I205-Q226 PolarHBondContact O-N 3.11Å; I205-L227 HydrophobicContact CG2-CD2 3.99Å; I205-L227 PolarHBondContact O-N 2.86Å
206	K	98.3	Very high	97.2	Very high	97 Å²	97	56 Å²	56	42%	0.422	24%	0.244	S	C	.	.			trans	-101.5	-25	179	-67.3	169.8	-172.8	166.1	0	113.2	E185 F204 Q226	E185-K206 PolarHBondContact O-N 3.15Å; E185-K206 IonicContact OE2-NZ 3.45Å; F204-K206 PolarHBondContact O-N 3.11Å; K206-Q226 HydrophobicContact CG-CB 3.89Å
207	R	97.6	Very high	97.2	Very high	128 Å²	128	50.5 Å²	50.5	48%	0.483	22%	0.223	S	C	.	.	B	Isolated β-bridge	trans	-146.8	147.5	-177.6	60.5	-175.7	-174.4	-94.5	-2	112.5	T186 I205 E209	T186-R207 WeakPolarHBondContact CA-O 3.26Å; T186-R207 HydrophobicContact CG2-CG 3.67Å; T186-R207 VanDerWaalsContact CG2-CZ 3.46Å; I205-R207 WeakPolarHBondContact CG2-O 3.44Å; R207-E209 VanDerWaalsContact CD-OE1 3.24Å; R207-E209 WeakPolarHBondContact CD-OE1 3.44Å; R207-E209 HydrophobicContact CG-CG 4.34Å; R207-E209 IonicContact CZ-OE1 2.59Å; R207-E209 IonicContact NE-OE1 2.7Å; R207-E209 PolarHBondContact NE-OE1 2.85Å; R207-E209 IonicContact NE-OE2 2.94Å; R207-E209 IonicContact NH2-OE1 3.46Å
208	L	98	Very high	97.2	Very high	7 Å²	7	48.1 Å²	48.1	4%	0.037	22%	0.215	C	C	.	.			trans	-92.9	131.1	174.7	-50	177.1	0	0	0	109.4	T187 I205 L211 L222 L227 E231 G232 L233	T187-L208 HydrophobicContact CG2-CD2 3.78Å; T187-L208 WeakPolarHBondContact OG1-CA 3.5Å; I205-L208 HydrophobicContact CG2-CD2 4.38Å; L208-L211 HydrophobicContact CB-CD1 3.96Å; L208-L211 HydrophobicContact CD1-CD1 4.25Å; L208-L211 HydrophobicContact CD2-CD1 4.42Å; L208-L211 HydrophobicContact CG-CD1 4.44Å; L208-L222 HydrophobicContact CD2-CD1 3.72Å; L208-L222 HydrophobicContact CD2-CD2 4.22Å; L208-L227 HydrophobicContact CD2-CD1 4.17Å; L208-L227 HydrophobicContact CD2-CD2 3.83Å; L208-L227 HydrophobicContact CG-CD2 4.01Å; L208-E231 WeakPolarHBondContact CB-O 3.46Å; L208-G232 WeakPolarHBondContact O-CA 3.27Å; L208-L233 HydrophobicContact CD1-CD2 3.85Å; L208-L233 HydrophobicContact CD1-CG 3.96Å
209	E	96	Very high	97.2	Very high	71 Å²	71	49.2 Å²	49.2	33%	0.332	22%	0.222	S	C	.	.			trans	-148.6	148.8	-179.2	-67.1	178.9	169.3	0	0	109.4	T187 S188 R207 L211	T187-E209 CarbonylContact C-O 3.03Å; T187-E209 PolarHBondContact OG1-N 3.43Å; T187-E209 PolarHBondContact OG1-O 2.98Å; S188-E209 WeakPolarHBondContact CB-OE2 3.47Å; S188-E209 PolarHBondContact N-O 2.97Å; R207-E209 VanDerWaalsContact CD-OE1 3.24Å; R207-E209 WeakPolarHBondContact CD-OE1 3.44Å; R207-E209 HydrophobicContact CG-CG 4.34Å; R207-E209 IonicContact CZ-OE1 2.59Å; R207-E209 IonicContact NE-OE1 2.7Å; R207-E209 PolarHBondContact NE-OE1 2.85Å; R207-E209 IonicContact NE-OE2 2.94Å; R207-E209 IonicContact NH2-OE1 3.46Å; E209-L211 PolarHBondContact O-N 3.19Å
210	G	93.8	Very high	97.2	Very high	16 Å²	16	46.4 Å²	46.4	17%	0.165	21%	0.211	C	C	.	.	S	Bend	trans	71.5	11	171.1	0	0	0	0	0	115.5	E212	G210-E212 VanDerWaalsContact C-N 3.3Å; G210-E212 WeakPolarHBondContact CA-OE2 3.21Å; G210-E212 PolarHBondContact N-OE2 3.43Å
211	L	95.4	Very high	97.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-77	-16.3	179.7	-62.4	-177.4	0	0	0	112.8	T187 L208 E209 K213 L214 L220 M237	T187-L211 HydrophobicContact CG2-CD2 4.47Å; L208-L211 HydrophobicContact CB-CD1 3.96Å; L208-L211 HydrophobicContact CD1-CD1 4.25Å; L208-L211 HydrophobicContact CD2-CD1 4.42Å; L208-L211 HydrophobicContact CG-CD1 4.44Å; E209-L211 PolarHBondContact O-N 3.19Å; L211-K213 PolarHBondContact O-N 3.37Å; L211-K213 VanDerWaalsContact O-N 3.11Å; L211-L214 HydrophobicContact CD2-CD1 3.88Å; L211-L214 WeakPolarHBondContact O-CB 3.42Å; L211-L214 PolarHBondContact O-N 3.3Å; L211-L220 HydrophobicContact CD1-CD2 4.05Å; L211-M237 HydrophobicContact CB-CE 4.12Å; L211-M237 HydrophobicContact CB-SD 4Å; L211-M237 HydrophobicContact CD1-CE 3.9Å; L211-M237 HydrophobicContact CD1-SD 4.16Å
212	E	93.4	Very high	97.2	Very high	85 Å²	85	48 Å²	48	40%	0.397	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-60.3	-23.3	-178.3	67.9	-76.3	174.4	0	0	113.5	G210 L214 E236	G210-E212 VanDerWaalsContact C-N 3.3Å; G210-E212 WeakPolarHBondContact CA-OE2 3.21Å; G210-E212 PolarHBondContact N-OE2 3.43Å; E212-L214 VanDerWaalsContact C-N 3.34Å; E212-E236 HydrophobicContact CB-CB 4.29Å; E212-E236 HydrophobicContact CB-CG 4.32Å; E212-E236 WeakPolarHBondContact O-CB 3.23Å
213	K	92.9	Very high	97.2	Very high	91 Å²	91	48.8 Å²	48.8	40%	0.396	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-81.4	-12.4	177.6	-65	-179.6	166.1	-158.9	0	113.8	F190 D191 P193 L211 E215	F190-K213 WeakPolarHBondContact O-CD 3.38Å; D191-K213 HydrophobicContact CB-CD 4.43Å; D191-K213 WeakPolarHBondContact OD1-CD 3.27Å; D191-K213 IonicContact OD1-NZ 2.72Å; D191-K213 PolarHBondContact OD1-NZ 2.98Å; P193-K213 WeakPolarHBondContact CA-O 3.49Å; L211-K213 PolarHBondContact O-N 3.37Å; L211-K213 VanDerWaalsContact O-N 3.11Å; K213-E215 VanDerWaalsContact C-N 3.31Å; K213-E215 PolarHBondContact O-N 3.08Å
214	L	95.6	Very high	97.2	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	23%	0.226	C	C	.	.			trans	-94	51.3	-173.9	-53.9	-176.7	0	0	0	111.5	F190 L192 L195 L198 L211 E212 R216 L217	F190-L214 HydrophobicContact CB-CD1 4.35Å; F190-L214 HydrophobicContact CB-CD2 4Å; F190-L214 HydrophobicContact CB-CG 4.47Å; F190-L214 HydrophobicContact CD2-CD1 4.38Å; F190-L214 HydrophobicContact CG-CD1 4.5Å; L192-L214 HydrophobicContact CB-CD2 4.01Å; L192-L214 VanDerWaalsContact O-CD2 3.31Å; L192-L214 WeakPolarHBondContact O-CD2 3.47Å; L195-L214 HydrophobicContact CB-CD2 4.38Å; L195-L214 HydrophobicContact CD2-CD1 4.48Å; L195-L214 HydrophobicContact CD2-CD2 4.32Å; L198-L214 HydrophobicContact CD2-CD1 3.84Å; L211-L214 HydrophobicContact CD2-CD1 3.88Å; L211-L214 WeakPolarHBondContact O-CB 3.42Å; L211-L214 PolarHBondContact O-N 3.3Å; E212-L214 VanDerWaalsContact C-N 3.34Å; L214-R216 PolarHBondContact O-N 2.86Å; L214-R216 VanDerWaalsContact O-N 3.08Å; L214-L217 HydrophobicContact CB-CB 3.97Å; L214-L217 HydrophobicContact CB-CD2 4.33Å; L214-L217 HydrophobicContact CD1-CD2 4.11Å; L214-L217 WeakPolarHBondContact O-CB 3.17Å; L214-L217 PolarHBondContact O-N 3.34Å
215	E	94.1	Very high	97.2	Very high	114 Å²	114	46.4 Å²	46.4	53%	0.533	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-26.5	-170.8	-61.4	-178.1	-163.8	0	0	114.2	K213 S239	K213-E215 VanDerWaalsContact C-N 3.31Å; K213-E215 PolarHBondContact O-N 3.08Å; E215-S239 VanDerWaalsContact O-CB 3.26Å; E215-S239 WeakPolarHBondContact O-CB 3.41Å; E215-S239 PolarHBondContact O-OG 3.1Å
216	R	97.5	Very high	97.2	Very high	125 Å²	125	50.1 Å²	50.1	47%	0.472	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	1.8	-179.8	-65.2	-176.9	173.9	-179.3	-1.8	113.7	P193 N194 L195 L214 T218	P193-R216 WeakPolarHBondContact O-CB 3.26Å; P193-R216 WeakPolarHBondContact O-CD 3.14Å; P193-R216 WeakPolarHBondContact O-CG 3.15Å; N194-R216 PolarHBondContact OD1-NH1 3.24Å; L195-R216 CarbonylContact O-C 3.41Å; L214-R216 PolarHBondContact O-N 2.86Å; L214-R216 VanDerWaalsContact O-N 3.08Å; R216-T218 PolarHBondContact O-N 2.99Å
217	L	98.6	Very high	97.2	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	21%	0.206	C	C	.	.			trans	-65.2	121.2	-178.2	-166.2	72.1	0	0	0	110	L195 L198 L214 L220 M237 S239 L240	L195-L217 HydrophobicContact CD2-CD1 4.2Å; L195-L217 HydrophobicContact CG-CD1 4.21Å; L195-L217 WeakPolarHBondContact O-CA 3.49Å; L195-L217 PolarHBondContact O-N 3.03Å; L195-L217 VanDerWaalsContact O-N 3.15Å; L198-L217 HydrophobicContact CB-CD1 3.66Å; L198-L217 HydrophobicContact CB-CD2 4.41Å; L214-L217 HydrophobicContact CB-CB 3.97Å; L214-L217 HydrophobicContact CB-CD2 4.33Å; L214-L217 HydrophobicContact CD1-CD2 4.11Å; L214-L217 WeakPolarHBondContact O-CB 3.17Å; L214-L217 PolarHBondContact O-N 3.34Å; L217-L220 HydrophobicContact CD2-CB 3.98Å; L217-L220 HydrophobicContact CD2-CD1 4.29Å; L217-L220 HydrophobicContact CD2-CD2 4.44Å; L217-L220 HydrophobicContact CD2-CG 4.47Å; L217-M237 HydrophobicContact CD2-CE 4.34Å; L217-S239 CarbonylContact O-C 3.47Å; L217-S239 WeakPolarHBondContact O-CB 3.34Å; L217-L240 HydrophobicContact CD2-CD1 4.1Å; L217-L240 HydrophobicContact CG-CD1 4.11Å; L217-L240 WeakPolarHBondContact O-CA 3.4Å; L217-L240 PolarHBondContact O-N 3.23Å
218	T	98.8	Very high	97.2	Very high	28 Å²	28	45.9 Å²	45.9	17%	0.172	21%	0.213	C	C	.	.			trans	-105.1	-25.6	178.1	64.6	0	0	0	0	112.3	R196 R216 S239 Q241 Y242	R196-T218 PolarHBondContact O-N 3.43Å; R196-T218 PolarHBondContact O-OG1 3.12Å; R196-T218 VanDerWaalsContact O-OG1 3.13Å; R216-T218 PolarHBondContact O-N 2.99Å; T218-S239 WeakPolarHBondContact CA-O 3.41Å; T218-Q241 PolarHBondContact O-N 3.13Å; T218-Y242 PolarHBondContact O-N 2.56Å
219	T	98.9	Very high	97.1	Very high	23 Å²	23	47.9 Å²	47.9	14%	0.141	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	120.1	-176.9	-53.5	0	0	0	0	109.8	R196 L198 Y199 Y242	R196-T219 PolarHBondContact O-N 2.88Å; L198-T219 PolarHBondContact N-O 3.29Å; Y199-T219 HydrophobicContact CE1-CG2 4.45Å; T219-Y242 HydrophobicContact CG2-CD1 3.76Å; T219-Y242 HydrophobicContact CG2-CE1 4.48Å; T219-Y242 HydrophobicContact CG2-CG 4.4Å
220	L	98.9	Very high	97.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	120.7	171.7	-179.8	55.5	0	0	0	109.5	L198 L200 L211 L217 L222 M237 L240 Y242 L243 N244	L198-L220 HydrophobicContact CB-CD1 4.18Å; L198-L220 HydrophobicContact CD2-CD1 4.02Å; L198-L220 HydrophobicContact CG-CD1 4.09Å; L200-L220 HydrophobicContact CD1-CD1 4.22Å; L211-L220 HydrophobicContact CD1-CD2 4.05Å; L217-L220 HydrophobicContact CD2-CB 3.98Å; L217-L220 HydrophobicContact CD2-CD1 4.29Å; L217-L220 HydrophobicContact CD2-CD2 4.44Å; L217-L220 HydrophobicContact CD2-CG 4.47Å; L220-L222 HydrophobicContact CD1-CD1 4.21Å; L220-L222 HydrophobicContact CD1-CG 4.09Å; L220-L222 HydrophobicContact CD2-CD1 3.75Å; L220-L222 HydrophobicContact CG-CD1 3.76Å; L220-L222 HydrophobicContact CG-CG 4.04Å; L220-M237 HydrophobicContact CD2-CE 3.97Å; L220-L240 HydrophobicContact CB-CD1 3.72Å; L220-Y242 PolarHBondContact N-O 2.92Å; L220-L243 HydrophobicContact CB-CD1 4.08Å; L220-L243 HydrophobicContact CD2-CD1 4.01Å; L220-L243 HydrophobicContact CG-CD1 4.02Å; L220-L243 WeakPolarHBondContact O-CA 3.11Å; L220-N244 PolarHBondContact O-N 3.47Å
221	H	98.8	Very high	97.3	Very high	37 Å²	37	50.3 Å²	50.3	17%	0.171	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	106.7	-177	-161.4	-64.8	0	0	0	110.9	L198 Y199 L200 A201 R223 N244	L198-H221 PolarHBondContact O-N 3.2Å; Y199-H221 HydrophobicContact CD1-CB 3.69Å; Y199-H221 HydrophobicContact CE1-CB 4.41Å; Y199-H221 HydrophobicContact CG-CB 4.43Å; L200-H221 CarbonylContact C-O 3.19Å; L200-H221 WeakPolarHBondContact CA-O 2.99Å; L200-H221 PolarHBondContact N-O 2.85Å; A201-H221 PolarHBondContact N-O 2.87Å; H221-R223 WeakPolarHBondContact CE1-CB 3.42Å; H221-N244 PolarHBondContact CE1-ND2 2.91Å; H221-N244 VanDerWaalsContact CE1-ND2 3.25Å; H221-N244 PolarHBondContact NE2-ND2 2.54Å
222	L	98.8	Very high	97.3	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.249	C	C	.	.			trans	-118.3	20.1	-174.9	-71.1	160.1	0	0	0	112.3	T187 L200 I205 L208 L220 N225 L227 L243 N244 I245 N248	T187-L222 HydrophobicContact CG2-CD2 4.25Å; L200-L222 HydrophobicContact CB-CD2 3.93Å; L200-L222 HydrophobicContact CD1-CD2 3.94Å; I205-L222 HydrophobicContact CD1-CD2 3.77Å; L208-L222 HydrophobicContact CD2-CD1 3.72Å; L208-L222 HydrophobicContact CD2-CD2 4.22Å; L220-L222 HydrophobicContact CD1-CD1 4.21Å; L220-L222 HydrophobicContact CD1-CG 4.09Å; L220-L222 HydrophobicContact CD2-CD1 3.75Å; L220-L222 HydrophobicContact CG-CD1 3.76Å; L220-L222 HydrophobicContact CG-CG 4.04Å; L222-N225 VanDerWaalsContact C-ND2 3.34Å; L222-N225 PolarHBondContact O-ND2 3.37Å; L222-L227 HydrophobicContact CB-CD1 4.22Å; L222-L227 HydrophobicContact CD1-CD1 4.1Å; L222-L243 HydrophobicContact CD1-CD1 4.27Å; L222-N244 CarbonylContact C-O 3.19Å; L222-N244 WeakPolarHBondContact CA-O 3.39Å; L222-N244 WeakPolarHBondContact CB-O 3.5Å; L222-N244 PolarHBondContact N-O 2.98Å; L222-I245 HydrophobicContact CB-CG2 4.22Å; L222-I245 HydrophobicContact CD1-CG2 4.28Å; L222-N248 PolarHBondContact O-ND2 3.17Å
223	R	98.8	Very high	97.5	Very high	95 Å²	95	48.1 Å²	48.1	36%	0.358	23%	0.232	S	C	.	.			trans	-54.1	144.9	178.5	172.1	-178.8	161.5	156.9	6.5	112.4	A201 Q202 H221 N225 N244 R246	A201-R223 CarbonylContact C-O 3.57Å; A201-R223 WeakPolarHBondContact CA-O 3.5Å; A201-R223 HydrophobicContact CB-CB 4.24Å; A201-R223 WeakPolarHBondContact CB-O 3.26Å; Q202-R223 PolarHBondContact N-O 3.21Å; H221-R223 WeakPolarHBondContact CE1-CB 3.42Å; R223-N225 PolarHBondContact O-ND2 3.43Å; R223-N244 PolarHBondContact N-O 2.9Å; R223-R246 CarbonylContact C-O 3.55Å; R223-R246 WeakPolarHBondContact CA-O 3.4Å; R223-R246 HydrophobicContact CB-CB 4.46Å; R223-R246 HydrophobicContact CG-CB 4.13Å; R223-R246 HydrophobicContact CG-CG 4.31Å
224	D	98.8	Very high	97.6	Very high	43 Å²	43	44.6 Å²	44.6	23%	0.23	22%	0.219	C	C	.	.	S	Bend	trans	56.5	62.3	174.4	-54.7	-17.9	0	0	0	110.1	Q202 N203 R246 G247	Q202-D224 WeakPolarHBondContact CA-O 3.36Å; Q202-D224 HydrophobicContact CG-CB 3.81Å; Q202-D224 PolarHBondContact N-O 3.22Å; Q202-D224 VanDerWaalsContact N-O 3.14Å; N203-D224 PolarHBondContact N-O 2.87Å; D224-R246 PolarHBondContact N-O 2.86Å; D224-G247 CarbonylContact C-O 3.56Å; D224-G247 WeakPolarHBondContact CA-O 3.36Å; D224-G247 PolarHBondContact N-O 3.11Å
225	N	98.9	Very high	97.5	Very high	13 Å²	13	47.7 Å²	47.7	7%	0.07	24%	0.238	C	C	.	.	S	Bend	trans	-130.9	-164.4	175.9	-86.5	-76.8	0	0	0	109.1	L200 N203 I205 L222 R223 G247 N248	L200-N225 PolarHBondContact O-ND2 2.97Å; N203-N225 WeakPolarHBondContact CA-OD1 3.49Å; N203-N225 WeakPolarHBondContact CB-OD1 3.4Å; N203-N225 PolarHBondContact N-OD1 3.35Å; N203-N225 PolarHBondContact O-OD1 2.69Å; I205-N225 HydrophobicContact CB-CB 4.24Å; I205-N225 VanDerWaalsContact CB-OD1 3.28Å; I205-N225 WeakPolarHBondContact CB-OD1 3.41Å; I205-N225 WeakPolarHBondContact CG1-OD1 3.5Å; I205-N225 PolarHBondContact N-OD1 2.81Å; L222-N225 VanDerWaalsContact C-ND2 3.34Å; L222-N225 PolarHBondContact O-ND2 3.37Å; R223-N225 PolarHBondContact O-ND2 3.43Å; N225-G247 PolarHBondContact N-O 3.1Å; N225-G247 VanDerWaalsContact N-O 3.1Å; N225-N248 WeakPolarHBondContact CA-OD1 3.45Å; N225-N248 WeakPolarHBondContact CB-OD1 3.26Å; N225-N248 PolarHBondContact O-OD1 3.09Å
226	Q	98.6	Very high	97.6	Very high	79 Å²	79	46 Å²	46	37%	0.369	23%	0.231	S	C	.	.			trans	-122.4	30.3	-175.2	-61.9	-180	-18.3	0	0	112.1	I205 K206 E228 N248	I205-Q226 CarbonylContact O-C 3.27Å; I205-Q226 WeakPolarHBondContact O-CA 3.48Å; I205-Q226 PolarHBondContact O-N 3.11Å; K206-Q226 HydrophobicContact CG-CB 3.89Å; Q226-E228 PolarHBondContact O-N 3.25Å; Q226-N248 PolarHBondContact N-OD1 3.27Å
227	L	98.6	Very high	97.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.209	C	C	.	.			trans	-69.2	123.1	179.4	-66.3	167.5	0	0	0	110.2	I205 L208 L222 I245 N248 A249 I250	I205-L227 HydrophobicContact CG2-CD2 3.99Å; I205-L227 PolarHBondContact O-N 2.86Å; L208-L227 HydrophobicContact CD2-CD1 4.17Å; L208-L227 HydrophobicContact CD2-CD2 3.83Å; L208-L227 HydrophobicContact CG-CD2 4.01Å; L222-L227 HydrophobicContact CB-CD1 4.22Å; L222-L227 HydrophobicContact CD1-CD1 4.1Å; L227-I245 HydrophobicContact CD1-CG2 4.42Å; L227-N248 HydrophobicContact CB-CB 4.13Å; L227-N248 VanDerWaalsContact CB-OD1 3.31Å; L227-N248 WeakPolarHBondContact CB-OD1 3.34Å; L227-N248 WeakPolarHBondContact CG-OD1 3.46Å; L227-N248 PolarHBondContact N-OD1 3.34Å; L227-A249 CarbonylContact O-C 3.53Å; L227-A249 VanDerWaalsContact O-C 3.23Å; L227-A249 WeakPolarHBondContact O-CA 3.4Å; L227-A249 PolarHBondContact O-N 2.97Å; L227-I250 WeakPolarHBondContact O-CG1 3.5Å; L227-I250 PolarHBondContact O-N 3Å
228	E	97.8	Very high	97.2	Very high	135 Å²	135	47.4 Å²	47.4	63%	0.631	24%	0.24	S	C	*	.	S	Bend	trans	-94.8	-28.3	170.2	-67.4	176.6	-161.6	0	0	111.5	Q226 A249 A255	Q226-E228 PolarHBondContact O-N 3.25Å; E228-A249 HydrophobicContact CG-CB 3.92Å; E228-A255 WeakPolarHBondContact O-CB 3.41Å
229	T	96.9	Very high	97.2	Very high	49 Å²	49	48 Å²	48	30%	0.301	25%	0.246	S	C	.	.			trans	-133.5	167.1	178.2	78.8	0	0	0	0	111.4	E231 A255	T229-E231 PolarHBondContact OG1-N 2.89Å; T229-A255 HydrophobicContact CG2-CB 4.43Å
230	L	97.1	Very high	97.2	Very high	1 Å²	1	47 Å²	47	1%	0.005	24%	0.239	C	C	.	.			trans	-105.6	21.6	172.3	-60.3	177.3	0	0	0	112.1	G232 L233 I245 I250 A255 L256 S258 L259	L230-G232 PolarHBondContact O-N 2.98Å; L230-L233 HydrophobicContact CB-CD1 3.88Å; L230-L233 HydrophobicContact CB-CG 4.36Å; L230-L233 HydrophobicContact CD1-CD1 4.34Å; L230-L233 WeakPolarHBondContact O-CG 3.39Å; L230-L233 PolarHBondContact O-N 2.96Å; L230-I245 HydrophobicContact CD1-CD1 3.9Å; L230-I245 HydrophobicContact CD2-CD1 3.99Å; L230-I245 HydrophobicContact CD2-CG2 4.17Å; L230-I250 HydrophobicContact CD1-CD1 4.46Å; L230-I250 HydrophobicContact CD2-CD1 3.87Å; L230-I250 HydrophobicContact CG-CD1 4.07Å; L230-A255 PolarHBondContact N-O 2.87Å; L230-L256 HydrophobicContact CD1-CD2 4.04Å; L230-S258 WeakPolarHBondContact O-CB 3.43Å; L230-S258 PolarHBondContact O-OG 2.94Å; L230-L259 HydrophobicContact CD1-CD1 4.2Å; L230-L259 HydrophobicContact CD1-CD2 3.71Å; L230-L259 HydrophobicContact CD1-CG 3.73Å
231	E	96.2	Very high	97.2	Very high	137 Å²	137	50.7 Å²	50.7	64%	0.64	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	137	168.9	-67.4	-173	172.4	0	0	109.9	L208 T229	L208-E231 WeakPolarHBondContact CB-O 3.46Å; T229-E231 PolarHBondContact OG1-N 2.89Å
232	G	95.8	Very high	97.2	Very high	33 Å²	33	51.8 Å²	51.8	34%	0.34	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.8	-12.2	-171.9	0	0	0	0	0	114.6	L208 L230	L208-G232 WeakPolarHBondContact O-CA 3.27Å; L230-G232 PolarHBondContact O-N 2.98Å
233	L	96.8	Very high	97.2	Very high	6 Å²	6	51.8 Å²	51.8	3%	0.031	26%	0.26	C	S	.	.			trans	-66.9	139	158	-64.3	-179.4	0	0	0	109.4	L208 L230 M237 L243 L259 F261 L262	L208-L233 HydrophobicContact CD1-CD2 3.85Å; L208-L233 HydrophobicContact CD1-CG 3.96Å; L230-L233 HydrophobicContact CB-CD1 3.88Å; L230-L233 HydrophobicContact CB-CG 4.36Å; L230-L233 HydrophobicContact CD1-CD1 4.34Å; L230-L233 WeakPolarHBondContact O-CG 3.39Å; L230-L233 PolarHBondContact O-N 2.96Å; L233-M237 HydrophobicContact CD2-CE 4.16Å; L233-M237 HydrophobicContact CD2-SD 3.75Å; L233-L243 HydrophobicContact CD1-CD2 4.35Å; L233-L259 HydrophobicContact CD1-CD2 4Å; L233-F261 VanDerWaalsContact O-CD2 3.23Å; L233-F261 WeakPolarHBondContact O-CD2 3.02Å; L233-F261 WeakPolarHBondContact O-CE2 3.4Å; L233-L262 HydrophobicContact CD1-CD1 3.85Å; L233-L262 HydrophobicContact CD2-CD1 4.31Å
234	C	95.3	Very high	97.2	Very high	18 Å²	18	47.7 Å²	47.7	12%	0.122	25%	0.245	C	C	.	.			trans	-144.7	162.9	-173.5	69	0	0	0	0	113.2	E236 M237	C234-E236 VanDerWaalsContact CB-OE2 3.27Å; C234-E236 WeakPolarHBondContact CB-OE2 3.49Å; C234-E236 PolarHBondContact O-N 2.79Å; C234-E236 VanDerWaalsContact O-N 3.17Å; C234-E236 PolarHBondContact SG-OE2 2.68Å; C234-M237 PolarHBondContact O-N 3.22Å
235	P	94.8	Very high	97.2	Very high	64 Å²	64	45.6 Å²	45.6	42%	0.416	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-18.8	-179.9	-22.6	32.9	0	0	0	115.3	M237 K238 F261	P235-M237 PolarHBondContact O-N 2.86Å; P235-K238 WeakPolarHBondContact O-CE 3.37Å; P235-K238 WeakPolarHBondContact O-CG 3.49Å; P235-F261 HydrophobicContact CG-CD1 3.61Å; P235-F261 HydrophobicContact CG-CE1 3.95Å; P235-F261 HydrophobicContact CG-CG 4.26Å
236	E	95.1	Very high	97.1	Very high	79 Å²	79	48.3 Å²	48.3	37%	0.369	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-20.9	179.1	-67.3	67.6	-148.1	0	0	112.3	E212 C234 K238	E212-E236 HydrophobicContact CB-CB 4.29Å; E212-E236 HydrophobicContact CB-CG 4.32Å; E212-E236 WeakPolarHBondContact O-CB 3.23Å; C234-E236 VanDerWaalsContact CB-OE2 3.27Å; C234-E236 WeakPolarHBondContact CB-OE2 3.49Å; C234-E236 PolarHBondContact O-N 2.79Å; C234-E236 VanDerWaalsContact O-N 3.17Å; C234-E236 PolarHBondContact SG-OE2 2.68Å; E236-K238 PolarHBondContact O-N 2.82Å
237	M	95.4	Very high	97.1	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.01	23%	0.234	C	C	.	.			trans	-75.8	45.1	178.6	-57.8	-179	80	0	0	113.2	L211 L217 L220 L233 C234 P235 S239 L240 L262	L211-M237 HydrophobicContact CB-CE 4.12Å; L211-M237 HydrophobicContact CB-SD 4Å; L211-M237 HydrophobicContact CD1-CE 3.9Å; L211-M237 HydrophobicContact CD1-SD 4.16Å; L217-M237 HydrophobicContact CD2-CE 4.34Å; L220-M237 HydrophobicContact CD2-CE 3.97Å; L233-M237 HydrophobicContact CD2-CE 4.16Å; L233-M237 HydrophobicContact CD2-SD 3.75Å; C234-M237 PolarHBondContact O-N 3.22Å; P235-M237 PolarHBondContact O-N 2.86Å; M237-S239 PolarHBondContact O-N 2.83Å; M237-S239 VanDerWaalsContact O-N 3.12Å; M237-L240 HydrophobicContact CB-CB 4.48Å; M237-L240 HydrophobicContact CE-CD2 3.98Å; M237-L240 PolarHBondContact O-N 3.1Å; M237-L262 HydrophobicContact CB-CD2 3.85Å
238	K	93.3	Very high	97.2	Very high	153 Å²	153	46 Å²	46	67%	0.665	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-18.8	-170.4	-60.9	172.1	-175	162.3	0	114	P235 E236 S265	P235-K238 WeakPolarHBondContact O-CE 3.37Å; P235-K238 WeakPolarHBondContact O-CG 3.49Å; E236-K238 PolarHBondContact O-N 2.82Å; K238-S265 WeakPolarHBondContact O-CB 3.49Å
239	S	97.7	Very high	97.2	Very high	42 Å²	42	41.6 Å²	41.6	29%	0.294	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-6.9	-177.7	-57.7	0	0	0	0	113.7	E215 L217 T218 M237 Q241	E215-S239 VanDerWaalsContact O-CB 3.26Å; E215-S239 WeakPolarHBondContact O-CB 3.41Å; E215-S239 PolarHBondContact O-OG 3.1Å; L217-S239 CarbonylContact O-C 3.47Å; L217-S239 WeakPolarHBondContact O-CB 3.34Å; T218-S239 WeakPolarHBondContact CA-O 3.41Å; M237-S239 PolarHBondContact O-N 2.83Å; M237-S239 VanDerWaalsContact O-N 3.12Å; S239-Q241 PolarHBondContact O-N 2.8Å
240	L	98.4	Very high	97.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.21	C	C	.	.			trans	-70.1	115.8	-169.7	-166.5	74.5	0	0	0	111.1	L217 L220 M237 L243 L262 S265 L266	L217-L240 HydrophobicContact CD2-CD1 4.1Å; L217-L240 HydrophobicContact CG-CD1 4.11Å; L217-L240 WeakPolarHBondContact O-CA 3.4Å; L217-L240 PolarHBondContact O-N 3.23Å; L220-L240 HydrophobicContact CB-CD1 3.72Å; M237-L240 HydrophobicContact CB-CB 4.48Å; M237-L240 HydrophobicContact CE-CD2 3.98Å; M237-L240 PolarHBondContact O-N 3.1Å; L240-L243 HydrophobicContact CD2-CB 4.28Å; L240-L262 HydrophobicContact CD2-CD1 3.87Å; L240-L262 HydrophobicContact CD2-CD2 4.4Å; L240-S265 CarbonylContact O-C 3.29Å; L240-S265 VanDerWaalsContact O-CB 3.26Å; L240-S265 WeakPolarHBondContact O-CB 3.44Å; L240-S265 VanDerWaalsContact O-O 3.13Å; L240-S265 PolarHBondContact O-OG 2.82Å; L240-L266 HydrophobicContact CD2-CD1 4.19Å; L240-L266 HydrophobicContact CG-CD1 4.2Å; L240-L266 VanDerWaalsContact O-CA 3.32Å; L240-L266 WeakPolarHBondContact O-CA 3.33Å; L240-L266 PolarHBondContact O-N 3.3Å
241	Q	98.6	Very high	97.1	Very high	78 Å²	78	41.4 Å²	41.4	36%	0.364	23%	0.227	S	C	.	.			trans	-109	-28.2	-176.6	-73.9	174.3	58.3	0	0	112.6	T218 S239 K267 T268	T218-Q241 PolarHBondContact O-N 3.13Å; S239-Q241 PolarHBondContact O-N 2.8Å; Q241-K267 HydrophobicContact CB-CD 4.4Å; Q241-K267 HydrophobicContact CG-CD 4.24Å; Q241-K267 PolarHBondContact O-N 2.84Å; Q241-T268 PolarHBondContact O-N 3.33Å
242	Y	98.9	Very high	96.9	Very high	60 Å²	60	41.3 Å²	41.3	24%	0.235	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	123	-178.8	-179	-84.3	0	0	0	110.4	T218 T219 L220 N244 T268 V270	T218-Y242 PolarHBondContact O-N 2.56Å; T219-Y242 HydrophobicContact CG2-CD1 3.76Å; T219-Y242 HydrophobicContact CG2-CE1 4.48Å; T219-Y242 HydrophobicContact CG2-CG 4.4Å; L220-Y242 PolarHBondContact N-O 2.92Å; Y242-N244 HydrophobicContact CE1-CB 3.56Å; Y242-T268 WeakPolarHBondContact CA-O 3.49Å; Y242-T268 HydrophobicContact CD2-CG2 3.65Å; Y242-T268 HydrophobicContact CE2-CG2 3.69Å; Y242-V270 HydrophobicContact CE2-CG2 4.24Å
243	L	98.8	Very high	96.5	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	122.3	173.9	178.8	59.2	0	0	0	109.2	L220 L222 L233 L240 I245 L259 L262 L266 T268 L269 V270	L220-L243 HydrophobicContact CB-CD1 4.08Å; L220-L243 HydrophobicContact CD2-CD1 4.01Å; L220-L243 HydrophobicContact CG-CD1 4.02Å; L220-L243 WeakPolarHBondContact O-CA 3.11Å; L222-L243 HydrophobicContact CD1-CD1 4.27Å; L233-L243 HydrophobicContact CD1-CD2 4.35Å; L240-L243 HydrophobicContact CD2-CB 4.28Å; L243-I245 HydrophobicContact CD1-CG2 3.88Å; L243-I245 HydrophobicContact CD2-CG2 4.38Å; L243-I245 HydrophobicContact CG-CG2 4Å; L243-L259 HydrophobicContact CD2-CD2 4.03Å; L243-L262 HydrophobicContact CD2-CD1 4.23Å; L243-L266 HydrophobicContact CB-CD1 3.72Å; L243-L266 HydrophobicContact CB-CD2 4.26Å; L243-T268 PolarHBondContact N-O 2.96Å; L243-L269 HydrophobicContact CB-CD1 4.13Å; L243-L269 HydrophobicContact CD2-CD1 3.97Å; L243-L269 HydrophobicContact CG-CD1 4.02Å; L243-L269 CarbonylContact O-C 3.43Å; L243-L269 WeakPolarHBondContact O-CA 3.09Å; L243-V270 PolarHBondContact O-N 3.42Å
244	N	98.9	Very high	96.1	Very high	8 Å²	8	44.7 Å²	44.7	4%	0.043	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	113.3	172.7	-176.6	-1.8	0	0	0	110.3	L220 H221 L222 R223 Y242 R246 V270	L220-N244 PolarHBondContact O-N 3.47Å; H221-N244 PolarHBondContact CE1-ND2 2.91Å; H221-N244 VanDerWaalsContact CE1-ND2 3.25Å; H221-N244 PolarHBondContact NE2-ND2 2.54Å; L222-N244 CarbonylContact C-O 3.19Å; L222-N244 WeakPolarHBondContact CA-O 3.39Å; L222-N244 WeakPolarHBondContact CB-O 3.5Å; L222-N244 PolarHBondContact N-O 2.98Å; R223-N244 PolarHBondContact N-O 2.9Å; Y242-N244 HydrophobicContact CE1-CB 3.56Å; N244-R246 VanDerWaalsContact OD1-CB 3.24Å; N244-R246 WeakPolarHBondContact OD1-CB 3.33Å; N244-R246 PolarHBondContact OD1-N 2.91Å; N244-V270 HydrophobicContact CB-CB 4.15Å
245	I	98.7	Very high	96	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.244	C	C	.	.			trans	-121	21.2	178.1	55.2	176.1	0	0	0	111	L222 L227 L230 L243 N248 I250 L269 V270 I271 N274	L222-I245 HydrophobicContact CB-CG2 4.22Å; L222-I245 HydrophobicContact CD1-CG2 4.28Å; L227-I245 HydrophobicContact CD1-CG2 4.42Å; L230-I245 HydrophobicContact CD1-CD1 3.9Å; L230-I245 HydrophobicContact CD2-CD1 3.99Å; L230-I245 HydrophobicContact CD2-CG2 4.17Å; L243-I245 HydrophobicContact CD1-CG2 3.88Å; L243-I245 HydrophobicContact CD2-CG2 4.38Å; L243-I245 HydrophobicContact CG-CG2 4Å; I245-N248 PolarHBondContact O-ND2 3.03Å; I245-I250 HydrophobicContact CD1-CD1 3.75Å; I245-L269 HydrophobicContact CD1-CD1 4.01Å; I245-L269 HydrophobicContact CG1-CD1 4.16Å; I245-V270 CarbonylContact C-O 3.39Å; I245-V270 VanDerWaalsContact CG1-O 3.25Å; I245-V270 WeakPolarHBondContact CG1-O 3.44Å; I245-V270 PolarHBondContact N-O 3.15Å; I245-I271 HydrophobicContact CD1-CB 4.22Å; I245-I271 HydrophobicContact CD1-CD1 3.92Å; I245-I271 HydrophobicContact CD1-CG1 3.86Å; I245-I271 HydrophobicContact CG1-CB 4.1Å; I245-I271 HydrophobicContact CG1-CG1 4.07Å; I245-N274 PolarHBondContact O-ND2 2.82Å
246	R	98.7	Very high	96	Very high	69 Å²	69	41.7 Å²	41.7	26%	0.26	22%	0.224	S	C	.	.			trans	-53.8	143.9	175.8	171.7	175.1	-169.6	103	-8.9	111.7	R223 D224 N244 N248 V270 A272 E273	R223-R246 CarbonylContact C-O 3.55Å; R223-R246 WeakPolarHBondContact CA-O 3.4Å; R223-R246 HydrophobicContact CB-CB 4.46Å; R223-R246 HydrophobicContact CG-CB 4.13Å; R223-R246 HydrophobicContact CG-CG 4.31Å; D224-R246 PolarHBondContact N-O 2.86Å; N244-R246 VanDerWaalsContact OD1-CB 3.24Å; N244-R246 WeakPolarHBondContact OD1-CB 3.33Å; N244-R246 PolarHBondContact OD1-N 2.91Å; R246-N248 PolarHBondContact O-ND2 2.98Å; R246-V270 HydrophobicContact CB-CG1 4.06Å; R246-V270 PolarHBondContact N-O 2.97Å; R246-A272 WeakPolarHBondContact CA-O 3.43Å; R246-A272 WeakPolarHBondContact CB-O 3.41Å; R246-A272 VanDerWaalsContact CG-O 3.25Å; R246-A272 WeakPolarHBondContact CG-O 3.45Å; R246-E273 HydrophobicContact CG-CB 4.18Å; R246-E273 HydrophobicContact CG-CG 4.42Å; R246-E273 WeakPolarHBondContact CG-OE2 3.21Å; R246-E273 IonicContact CZ-OE1 3.88Å; R246-E273 VanDerWaalsContact CZ-OE1 3.26Å; R246-E273 IonicContact CZ-OE2 3.84Å; R246-E273 VanDerWaalsContact CZ-OE2 3.3Å; R246-E273 IonicContact NE-OE1 2.69Å; R246-E273 PolarHBondContact NE-OE1 3.03Å; R246-E273 IonicContact NE-OE2 3.71Å; R246-E273 PolarHBondContact NE-OE2 3Å; R246-E273 IonicContact NH2-OE1 3.93Å; R246-E273 PolarHBondContact NH2-OE1 3.01Å; R246-E273 IonicContact NH2-OE2 3.5Å; R246-E273 PolarHBondContact NH2-OE2 3Å
247	G	98.6	Very high	96	Very high	18 Å²	18	45 Å²	45	19%	0.186	23%	0.234	C	C	.	.	S	Bend	trans	66.9	51	173.8	0	0	0	0	0	111.6	D224 N225 A272 E273	D224-G247 CarbonylContact C-O 3.56Å; D224-G247 WeakPolarHBondContact CA-O 3.36Å; D224-G247 PolarHBondContact N-O 3.11Å; N225-G247 PolarHBondContact N-O 3.1Å; N225-G247 VanDerWaalsContact N-O 3.1Å; G247-A272 PolarHBondContact N-O 2.98Å; G247-A272 VanDerWaalsContact N-O 3.17Å; G247-E273 WeakPolarHBondContact CA-O 3.18Å; G247-E273 PolarHBondContact N-O 3.28Å; G247-E273 VanDerWaalsContact N-O 3.15Å
248	N	98.8	Very high	96	Very high	13 Å²	13	45.9 Å²	45.9	7%	0.07	24%	0.24	C	C	.	.	S	Bend	trans	-125.8	-175.8	174.3	-82.9	-86.1	0	0	0	109.1	L222 N225 Q226 L227 I245 R246 I250 E273 N274	L222-N248 PolarHBondContact O-ND2 3.17Å; N225-N248 WeakPolarHBondContact CA-OD1 3.45Å; N225-N248 WeakPolarHBondContact CB-OD1 3.26Å; N225-N248 PolarHBondContact O-OD1 3.09Å; Q226-N248 PolarHBondContact N-OD1 3.27Å; L227-N248 HydrophobicContact CB-CB 4.13Å; L227-N248 VanDerWaalsContact CB-OD1 3.31Å; L227-N248 WeakPolarHBondContact CB-OD1 3.34Å; L227-N248 WeakPolarHBondContact CG-OD1 3.46Å; L227-N248 PolarHBondContact N-OD1 3.34Å; I245-N248 PolarHBondContact O-ND2 3.03Å; R246-N248 PolarHBondContact O-ND2 2.98Å; N248-I250 HydrophobicContact CB-CG1 4.47Å; N248-E273 PolarHBondContact N-O 3.44Å; N248-N274 VanDerWaalsContact CA-OD1 3.29Å; N248-N274 WeakPolarHBondContact CA-OD1 3.31Å; N248-N274 WeakPolarHBondContact CB-OD1 3.39Å; N248-N274 PolarHBondContact N-OD1 3.24Å; N248-N274 PolarHBondContact O-OD1 3.25Å; N248-N274 VanDerWaalsContact O-OD1 3.08Å
249	A	98.1	Very high	96.1	Very high	42 Å²	42	38.6 Å²	38.6	35%	0.347	21%	0.208	S	C	.	.			trans	-103.9	25.9	-174.8	0	0	0	0	0	113.1	L227 E228 A251	L227-A249 CarbonylContact O-C 3.53Å; L227-A249 VanDerWaalsContact O-C 3.23Å; L227-A249 WeakPolarHBondContact O-CA 3.4Å; L227-A249 PolarHBondContact O-N 2.97Å; E228-A249 HydrophobicContact CG-CB 3.92Å; A249-A251 PolarHBondContact O-N 3.43Å; A249-A251 VanDerWaalsContact O-N 3.14Å
250	I	97.6	Very high	96	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.215	C	C	.	.			trans	-73.6	108.5	-177.9	-57	170.4	0	0	0	109.4	L227 L230 I245 N248 A255 L256 N274 P275 V276	L227-I250 WeakPolarHBondContact O-CG1 3.5Å; L227-I250 PolarHBondContact O-N 3Å; L230-I250 HydrophobicContact CD1-CD1 4.46Å; L230-I250 HydrophobicContact CD2-CD1 3.87Å; L230-I250 HydrophobicContact CG-CD1 4.07Å; I245-I250 HydrophobicContact CD1-CD1 3.75Å; N248-I250 HydrophobicContact CB-CG1 4.47Å; I250-A255 HydrophobicContact CG2-CB 3.77Å; I250-L256 HydrophobicContact CG2-CD2 3.83Å; I250-N274 HydrophobicContact CB-CB 4.23Å; I250-N274 WeakPolarHBondContact CB-OD1 3.24Å; I250-N274 WeakPolarHBondContact CG1-OD1 3.46Å; I250-N274 PolarHBondContact N-OD1 2.79Å; I250-N274 VanDerWaalsContact N-OD1 3.1Å; I250-P275 VanDerWaalsContact O-CD 3.29Å; I250-P275 WeakPolarHBondContact O-CD 3.36Å; I250-V276 HydrophobicContact CB-CG1 4.48Å; I250-V276 HydrophobicContact CG2-CB 4.44Å; I250-V276 HydrophobicContact CG2-CG1 4.11Å; I250-V276 WeakPolarHBondContact O-CB 3.21Å; I250-V276 WeakPolarHBondContact O-CG1 3.49Å; I250-V276 PolarHBondContact O-N 3.4Å
251	A	95.3	Very high	95.8	Very high	46 Å²	46	45 Å²	45	38%	0.38	23%	0.232	S	C	.	.			trans	-97.9	-34	-170.7	0	0	0	0	0	115	A249 P275 V276	A249-A251 PolarHBondContact O-N 3.43Å; A249-A251 VanDerWaalsContact O-N 3.14Å; A251-P275 HydrophobicContact CB-CB 4.28Å; A251-V276 WeakPolarHBondContact O-CA 3.45Å
252	E	91.7	Very high	95.7	Very high	135 Å²	135	41.3 Å²	41.3	63%	0.631	22%	0.215	S	C	*	.	S	Bend	trans	-121	154.3	-169	-62.4	-176.9	-177.3	0	0	112.2	D254 A255	E252-D254 PolarHBondContact O-N 3.01Å; E252-A255 WeakPolarHBondContact O-CB 3.42Å; E252-A255 PolarHBondContact O-N 2.96Å
253	G	87	Confident	95.5	Very high	22 Å²	22	40.6 Å²	40.6	23%	0.227	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-61.8	-30.1	177.6	0	0	0	0	0	113.4	A255 L256	G253-A255 VanDerWaalsContact C-N 3.28Å; G253-A255 PolarHBondContact O-N 3.04Å; G253-L256 VanDerWaalsContact O-CB 3.29Å; G253-L256 WeakPolarHBondContact O-CB 3.39Å; G253-L256 PolarHBondContact O-N 3.43Å; G253-L256 VanDerWaalsContact O-N 3.07Å
254	D	89.6	Confident	95.3	Very high	89 Å²	89	46.6 Å²	46.6	48%	0.476	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-65.8	-30.7	179.3	-80.4	-6.1	0	0	0	113	E252 L256 R257	E252-D254 PolarHBondContact O-N 3.01Å; D254-L256 PolarHBondContact O-N 3.01Å; D254-L256 VanDerWaalsContact O-N 3.13Å; D254-R257 WeakPolarHBondContact O-CB 3.19Å; D254-R257 WeakPolarHBondContact O-CG 3.45Å; D254-R257 PolarHBondContact O-N 2.98Å; D254-R257 VanDerWaalsContact O-N 3.09Å; D254-R257 IonicContact OD1-CZ 3.83Å; D254-R257 IonicContact OD1-NE 2.81Å; D254-R257 PolarHBondContact OD1-NE 2.99Å; D254-R257 IonicContact OD1-NH2 3.3Å; D254-R257 PolarHBondContact OD1-NH2 3.05Å; D254-R257 IonicContact OD2-CZ 2.83Å; D254-R257 IonicContact OD2-NE 3.61Å; D254-R257 IonicContact OD2-NH2 2.72Å; D254-R257 PolarHBondContact OD2-NH2 3.08Å
255	A	93.1	Very high	95.2	Very high	18 Å²	18	46.9 Å²	46.9	15%	0.149	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-63.4	-17	174.3	0	0	0	0	0	113.1	E228 T229 L230 I250 E252 G253	E228-A255 WeakPolarHBondContact O-CB 3.41Å; T229-A255 HydrophobicContact CG2-CB 4.43Å; L230-A255 PolarHBondContact N-O 2.87Å; I250-A255 HydrophobicContact CG2-CB 3.77Å; E252-A255 WeakPolarHBondContact O-CB 3.42Å; E252-A255 PolarHBondContact O-N 2.96Å; G253-A255 VanDerWaalsContact C-N 3.28Å; G253-A255 PolarHBondContact O-N 3.04Å
256	L	94.5	Very high	95.2	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-87.7	-10.4	177.6	-55	-178	0	0	0	113.6	L230 I250 G253 D254 S258 L259 I271 V276 V286 L289	L230-L256 HydrophobicContact CD1-CD2 4.04Å; I250-L256 HydrophobicContact CG2-CD2 3.83Å; G253-L256 VanDerWaalsContact O-CB 3.29Å; G253-L256 WeakPolarHBondContact O-CB 3.39Å; G253-L256 PolarHBondContact O-N 3.43Å; G253-L256 VanDerWaalsContact O-N 3.07Å; D254-L256 PolarHBondContact O-N 3.01Å; D254-L256 VanDerWaalsContact O-N 3.13Å; L256-S258 PolarHBondContact O-N 2.81Å; L256-S258 VanDerWaalsContact O-N 3.09Å; L256-L259 HydrophobicContact CB-CD1 4.08Å; L256-L259 HydrophobicContact CD2-CD1 4.32Å; L256-L259 WeakPolarHBondContact O-CB 3.48Å; L256-L259 VanDerWaalsContact O-CG 3.31Å; L256-L259 WeakPolarHBondContact O-CG 3.43Å; L256-L259 PolarHBondContact O-N 3.15Å; L256-I271 HydrophobicContact CD1-CD1 4.25Å; L256-I271 HydrophobicContact CD2-CD1 3.51Å; L256-V276 HydrophobicContact CD1-CG2 4.24Å; L256-V286 HydrophobicContact CD1-CG2 4.16Å; L256-L289 HydrophobicContact CB-CD1 3.87Å; L256-L289 WeakPolarHBondContact O-CD1 3.44Å
257	R	93.4	Very high	95.1	Very high	150 Å²	150	47.5 Å²	47.5	57%	0.566	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-52.6	-38.7	-173	-74.8	173.6	-178.2	-172.3	2	112.5	D254 L259 H260	D254-R257 WeakPolarHBondContact O-CB 3.19Å; D254-R257 WeakPolarHBondContact O-CG 3.45Å; D254-R257 PolarHBondContact O-N 2.98Å; D254-R257 VanDerWaalsContact O-N 3.09Å; D254-R257 IonicContact OD1-CZ 3.83Å; D254-R257 IonicContact OD1-NE 2.81Å; D254-R257 PolarHBondContact OD1-NE 2.99Å; D254-R257 IonicContact OD1-NH2 3.3Å; D254-R257 PolarHBondContact OD1-NH2 3.05Å; D254-R257 IonicContact OD2-CZ 2.83Å; D254-R257 IonicContact OD2-NE 3.61Å; D254-R257 IonicContact OD2-NH2 2.72Å; D254-R257 PolarHBondContact OD2-NH2 3.08Å; R257-L259 PolarHBondContact O-N 3.41Å; R257-H260 PolarHBondContact O-N 2.86Å; R257-H260 VanDerWaalsContact O-N 3.1Å; R257-H260 PolarHBondContact O-ND1 3.13Å
258	S	95.6	Very high	95.1	Very high	19 Å²	19	47.6 Å²	47.6	13%	0.133	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-58.9	-18.3	178.3	-52.7	0	0	0	0	114.5	L230 L256 H260 F261	L230-S258 WeakPolarHBondContact O-CB 3.43Å; L230-S258 PolarHBondContact O-OG 2.94Å; L256-S258 PolarHBondContact O-N 2.81Å; L256-S258 VanDerWaalsContact O-N 3.09Å; S258-H260 PolarHBondContact O-N 2.91Å; S258-F261 WeakPolarHBondContact O-CD2 3.34Å; S258-F261 PolarHBondContact O-N 2.87Å
259	L	96.4	Very high	95.1	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-59.4	-27.9	173.9	-70.7	176.5	0	0	0	113	L230 L233 L243 L256 R257 F261 L262 L269 L290	L230-L259 HydrophobicContact CD1-CD1 4.2Å; L230-L259 HydrophobicContact CD1-CD2 3.71Å; L230-L259 HydrophobicContact CD1-CG 3.73Å; L233-L259 HydrophobicContact CD1-CD2 4Å; L243-L259 HydrophobicContact CD2-CD2 4.03Å; L256-L259 HydrophobicContact CB-CD1 4.08Å; L256-L259 HydrophobicContact CD2-CD1 4.32Å; L256-L259 WeakPolarHBondContact O-CB 3.48Å; L256-L259 VanDerWaalsContact O-CG 3.31Å; L256-L259 WeakPolarHBondContact O-CG 3.43Å; L256-L259 PolarHBondContact O-N 3.15Å; R257-L259 PolarHBondContact O-N 3.41Å; L259-F261 PolarHBondContact O-N 2.74Å; L259-L262 HydrophobicContact CD2-CD1 4.4Å; L259-L262 WeakPolarHBondContact O-CA 3.31Å; L259-L262 WeakPolarHBondContact O-CB 3.36Å; L259-L262 PolarHBondContact O-N 2.84Å; L259-L269 HydrophobicContact CD1-CD2 3.94Å; L259-L290 HydrophobicContact CB-CD1 3.96Å; L259-L290 HydrophobicContact CB-CD2 4.47Å; L259-L290 HydrophobicContact CB-CG 4.18Å; L259-L290 HydrophobicContact CD1-CD1 4.09Å; L259-L290 HydrophobicContact CD2-CD1 4.34Å; L259-L290 HydrophobicContact CG-CD1 4.37Å; L259-L290 WeakPolarHBondContact O-CD2 3.42Å
260	H	94.6	Very high	95.2	Very high	94 Å²	94	45.2 Å²	45.2	44%	0.435	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-55.8	-24.7	179.2	77.4	-55.6	0	0	0	113.8	R257 S258 L262 T263	R257-H260 PolarHBondContact O-N 2.86Å; R257-H260 VanDerWaalsContact O-N 3.1Å; R257-H260 PolarHBondContact O-ND1 3.13Å; S258-H260 PolarHBondContact O-N 2.91Å; H260-L262 PolarHBondContact O-N 3.16Å; H260-T263 WeakPolarHBondContact O-CB 3.42Å; H260-T263 PolarHBondContact O-N 3.49Å; H260-T263 PolarHBondContact O-OG1 3.38Å
261	F	96	Very high	95.2	Very high	84 Å²	84	45.2 Å²	45.2	37%	0.368	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-65.4	-22.9	174.2	-64.1	-51.5	0	0	0	113	L233 P235 S258 L259	L233-F261 VanDerWaalsContact O-CD2 3.23Å; L233-F261 WeakPolarHBondContact O-CD2 3.02Å; L233-F261 WeakPolarHBondContact O-CE2 3.4Å; P235-F261 HydrophobicContact CG-CD1 3.61Å; P235-F261 HydrophobicContact CG-CE1 3.95Å; P235-F261 HydrophobicContact CG-CG 4.26Å; S258-F261 WeakPolarHBondContact O-CD2 3.34Å; S258-F261 PolarHBondContact O-N 2.87Å; L259-F261 PolarHBondContact O-N 2.74Å
262	L	96.5	Very high	95.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-100.6	9.1	-176.2	-49.9	178.6	0	0	0	112.9	L233 M237 L240 L243 L259 H260 S264 S265 L266	L233-L262 HydrophobicContact CD1-CD1 3.85Å; L233-L262 HydrophobicContact CD2-CD1 4.31Å; M237-L262 HydrophobicContact CB-CD2 3.85Å; L240-L262 HydrophobicContact CD2-CD1 3.87Å; L240-L262 HydrophobicContact CD2-CD2 4.4Å; L243-L262 HydrophobicContact CD2-CD1 4.23Å; L259-L262 HydrophobicContact CD2-CD1 4.4Å; L259-L262 WeakPolarHBondContact O-CA 3.31Å; L259-L262 WeakPolarHBondContact O-CB 3.36Å; L259-L262 PolarHBondContact O-N 2.84Å; H260-L262 PolarHBondContact O-N 3.16Å; L262-S264 PolarHBondContact O-N 2.9Å; L262-S264 VanDerWaalsContact O-N 3.12Å; L262-S265 PolarHBondContact O-N 3.08Å; L262-S265 VanDerWaalsContact O-N 3.12Å; L262-S265 PolarHBondContact O-OG 3.47Å; L262-L266 HydrophobicContact CB-CB 3.96Å; L262-L266 HydrophobicContact CD1-CD2 4.3Å; L262-L266 WeakPolarHBondContact O-CB 3.46Å; L262-L266 PolarHBondContact O-N 2.87Å
263	T	94.5	Very high	95.6	Very high	44 Å²	44	42.2 Å²	42.2	27%	0.27	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-23.8	-178.2	-63.4	0	0	0	0	113.6	H260 L289 Q292	H260-T263 WeakPolarHBondContact O-CB 3.42Å; H260-T263 PolarHBondContact O-N 3.49Å; H260-T263 PolarHBondContact O-OG1 3.38Å; T263-L289 PolarHBondContact OG1-O 2.9Å; T263-Q292 WeakPolarHBondContact O-CG 3.41Å; T263-Q292 PolarHBondContact O-NE2 3.19Å; T263-Q292 PolarHBondContact O-OE1 3.38Å
264	S	93.5	Very high	96.1	Very high	127 Å²	127	41.3 Å²	41.3	89%	0.888	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92	-13.3	178.6	-60	0	0	0	0	114.7	L262	L262-S264 PolarHBondContact O-N 2.9Å; L262-S264 VanDerWaalsContact O-N 3.12Å
265	S	96.6	Very high	96.5	Very high	14 Å²	14	40.1 Å²	40.1	10%	0.098	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.6	-38.6	-167.4	56.8	0	0	0	0	113.7	K238 L240 L262 K267	K238-S265 WeakPolarHBondContact O-CB 3.49Å; L240-S265 CarbonylContact O-C 3.29Å; L240-S265 VanDerWaalsContact O-CB 3.26Å; L240-S265 WeakPolarHBondContact O-CB 3.44Å; L240-S265 VanDerWaalsContact O-O 3.13Å; L240-S265 PolarHBondContact O-OG 2.82Å; L262-S265 PolarHBondContact O-N 3.08Å; L262-S265 VanDerWaalsContact O-N 3.12Å; L262-S265 PolarHBondContact O-OG 3.47Å; S265-K267 PolarHBondContact O-N 3.33Å
266	L	98.3	Very high	96.6	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	21%	0.205	C	C	.	.			trans	-74	126.9	-169.7	-161.3	70.4	0	0	0	111.7	L240 L243 L262 L269 L290 Q292 L293	L240-L266 HydrophobicContact CD2-CD1 4.19Å; L240-L266 HydrophobicContact CG-CD1 4.2Å; L240-L266 VanDerWaalsContact O-CA 3.32Å; L240-L266 WeakPolarHBondContact O-CA 3.33Å; L240-L266 PolarHBondContact O-N 3.3Å; L243-L266 HydrophobicContact CB-CD1 3.72Å; L243-L266 HydrophobicContact CB-CD2 4.26Å; L262-L266 HydrophobicContact CB-CB 3.96Å; L262-L266 HydrophobicContact CD1-CD2 4.3Å; L262-L266 WeakPolarHBondContact O-CB 3.46Å; L262-L266 PolarHBondContact O-N 2.87Å; L266-L269 HydrophobicContact CD2-CB 4.28Å; L266-L269 HydrophobicContact CD2-CD1 4.43Å; L266-L290 HydrophobicContact CD2-CD1 3.83Å; L266-Q292 PolarHBondContact O-NE2 3.16Å; L266-L293 HydrophobicContact CB-CD2 4.42Å; L266-L293 HydrophobicContact CD2-CD2 4.21Å; L266-L293 HydrophobicContact CG-CD2 4.06Å
267	K	98.4	Very high	96.6	Very high	82 Å²	82	40.7 Å²	40.7	36%	0.357	21%	0.214	S	C	.	.			trans	-108.2	-35.6	179.6	-64.8	178.5	178.8	169.5	0	112.6	Q241 S265 L293 E294 R295	Q241-K267 HydrophobicContact CB-CD 4.4Å; Q241-K267 HydrophobicContact CG-CD 4.24Å; Q241-K267 PolarHBondContact O-N 2.84Å; S265-K267 PolarHBondContact O-N 3.33Å; K267-L293 VanDerWaalsContact C-CD2 3.41Å; K267-L293 WeakPolarHBondContact O-CD2 3.44Å; K267-E294 HydrophobicContact CB-CG 4.36Å; K267-E294 WeakPolarHBondContact O-CB 3.47Å; K267-E294 PolarHBondContact O-N 3.02Å; K267-R295 PolarHBondContact O-N 3.25Å; K267-R295 VanDerWaalsContact O-N 3.11Å
268	T	98.7	Very high	96.6	Very high	20 Å²	20	40.6 Å²	40.6	12%	0.123	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	125.7	-178.5	-60.9	0	0	0	0	110.3	Q241 Y242 L243 V270 R295	Q241-T268 PolarHBondContact O-N 3.33Å; Y242-T268 WeakPolarHBondContact CA-O 3.49Å; Y242-T268 HydrophobicContact CD2-CG2 3.65Å; Y242-T268 HydrophobicContact CE2-CG2 3.69Å; L243-T268 PolarHBondContact N-O 2.96Å; T268-V270 HydrophobicContact CG2-CG2 4.35Å; T268-R295 WeakPolarHBondContact CA-O 2.89Å; T268-R295 HydrophobicContact CG2-CB 4.03Å
269	L	98.6	Very high	96.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	133.9	170.3	179.8	63.7	0	0	0	109.2	L243 I245 L259 L266 I271 V286 L293 R295 I296 D297	L243-L269 HydrophobicContact CB-CD1 4.13Å; L243-L269 HydrophobicContact CD2-CD1 3.97Å; L243-L269 HydrophobicContact CG-CD1 4.02Å; L243-L269 CarbonylContact O-C 3.43Å; L243-L269 WeakPolarHBondContact O-CA 3.09Å; I245-L269 HydrophobicContact CD1-CD1 4.01Å; I245-L269 HydrophobicContact CG1-CD1 4.16Å; L259-L269 HydrophobicContact CD1-CD2 3.94Å; L266-L269 HydrophobicContact CD2-CB 4.28Å; L266-L269 HydrophobicContact CD2-CD1 4.43Å; L269-I271 HydrophobicContact CG-CB 4.38Å; L269-V286 HydrophobicContact CD2-CG1 3.8Å; L269-V286 HydrophobicContact CD2-CG2 4.06Å; L269-L293 HydrophobicContact CB-CD1 4.14Å; L269-L293 HydrophobicContact CB-CD2 4.27Å; L269-R295 PolarHBondContact N-O 2.92Å; L269-R295 VanDerWaalsContact N-O 3.13Å; L269-I296 CarbonylContact O-C 3.4Å; L269-I296 WeakPolarHBondContact O-CA 3.37Å; L269-D297 PolarHBondContact O-N 2.99Å
270	V	98.7	Very high	95.6	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.024	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	115.3	168.7	-173.2	0	0	0	0	107.6	Y242 L243 N244 I245 R246 T268 D297	Y242-V270 HydrophobicContact CE2-CG2 4.24Å; L243-V270 PolarHBondContact O-N 3.42Å; N244-V270 HydrophobicContact CB-CB 4.15Å; I245-V270 CarbonylContact C-O 3.39Å; I245-V270 VanDerWaalsContact CG1-O 3.25Å; I245-V270 WeakPolarHBondContact CG1-O 3.44Å; I245-V270 PolarHBondContact N-O 3.15Å; R246-V270 HydrophobicContact CB-CG1 4.06Å; R246-V270 PolarHBondContact N-O 2.97Å; T268-V270 HydrophobicContact CG2-CG2 4.35Å; V270-D297 WeakPolarHBondContact CA-OD1 3.41Å
271	I	97.9	Very high	95.4	Very high	0 Å²	0	45 Å²	45	0%	0	27%	0.266	C	S	.	.			trans	-130.2	-5.9	-173.6	-168.8	168.9	0	0	0	113.2	I245 L256 L269 N274 V276 V277 Y282 D297	I245-I271 HydrophobicContact CD1-CB 4.22Å; I245-I271 HydrophobicContact CD1-CD1 3.92Å; I245-I271 HydrophobicContact CD1-CG1 3.86Å; I245-I271 HydrophobicContact CG1-CB 4.1Å; I245-I271 HydrophobicContact CG1-CG1 4.07Å; L256-I271 HydrophobicContact CD1-CD1 4.25Å; L256-I271 HydrophobicContact CD2-CD1 3.51Å; L269-I271 HydrophobicContact CG-CB 4.38Å; I271-N274 HydrophobicContact CG1-CB 4.4Å; I271-N274 WeakPolarHBondContact O-CB 3.29Å; I271-N274 PolarHBondContact O-ND2 2.95Å; I271-V276 HydrophobicContact CD1-CG1 4Å; I271-V276 HydrophobicContact CG1-CG1 4.43Å; I271-V277 WeakPolarHBondContact O-CG2 3.05Å; I271-Y282 HydrophobicContact CG2-CD2 3.81Å; I271-Y282 HydrophobicContact CG2-CE2 3.67Å; I271-D297 PolarHBondContact N-OD1 3.14Å
272	A	97.7	Very high	95.2	Very high	14 Å²	14	42.8 Å²	42.8	12%	0.116	26%	0.255	C	S	.	.			trans	-45.9	156.5	174.9	0	0	0	0	0	113.2	R246 G247 N274 D297	R246-A272 WeakPolarHBondContact CA-O 3.43Å; R246-A272 WeakPolarHBondContact CB-O 3.41Å; R246-A272 VanDerWaalsContact CG-O 3.25Å; R246-A272 WeakPolarHBondContact CG-O 3.45Å; G247-A272 PolarHBondContact N-O 2.98Å; G247-A272 VanDerWaalsContact N-O 3.17Å; A272-N274 VanDerWaalsContact C-N 3.3Å; A272-N274 PolarHBondContact O-N 3.16Å; A272-D297 HydrophobicContact CB-CB 4.38Å; A272-D297 WeakPolarHBondContact CB-OD1 3.38Å; A272-D297 PolarHBondContact N-OD1 3.12Å
273	E	97.7	Very high	95.1	Very high	104 Å²	104	45.1 Å²	45.1	49%	0.486	26%	0.264	S	S	.	.	S	Bend	trans	57.9	40.3	-173.7	-56.9	175.6	169.2	0	0	113	R246 G247 N248	R246-E273 HydrophobicContact CG-CB 4.18Å; R246-E273 HydrophobicContact CG-CG 4.42Å; R246-E273 WeakPolarHBondContact CG-OE2 3.21Å; R246-E273 IonicContact CZ-OE1 3.88Å; R246-E273 VanDerWaalsContact CZ-OE1 3.26Å; R246-E273 IonicContact CZ-OE2 3.84Å; R246-E273 VanDerWaalsContact CZ-OE2 3.3Å; R246-E273 IonicContact NE-OE1 2.69Å; R246-E273 PolarHBondContact NE-OE1 3.03Å; R246-E273 IonicContact NE-OE2 3.71Å; R246-E273 PolarHBondContact NE-OE2 3Å; R246-E273 IonicContact NH2-OE1 3.93Å; R246-E273 PolarHBondContact NH2-OE1 3.01Å; R246-E273 IonicContact NH2-OE2 3.5Å; R246-E273 PolarHBondContact NH2-OE2 3Å; G247-E273 WeakPolarHBondContact CA-O 3.18Å; G247-E273 PolarHBondContact N-O 3.28Å; G247-E273 VanDerWaalsContact N-O 3.15Å; N248-E273 PolarHBondContact N-O 3.44Å
274	N	98.3	Very high	95.1	Very high	3 Å²	3	45.7 Å²	45.7	2%	0.016	26%	0.264	C	S	.	.	S	Bend	trans	-122.6	145.4	163	-80.5	-94.4	0	0	0	108.1	I245 N248 I250 I271 A272 V276 V277	I245-N274 PolarHBondContact O-ND2 2.82Å; N248-N274 VanDerWaalsContact CA-OD1 3.29Å; N248-N274 WeakPolarHBondContact CA-OD1 3.31Å; N248-N274 WeakPolarHBondContact CB-OD1 3.39Å; N248-N274 PolarHBondContact N-OD1 3.24Å; N248-N274 PolarHBondContact O-OD1 3.25Å; N248-N274 VanDerWaalsContact O-OD1 3.08Å; I250-N274 HydrophobicContact CB-CB 4.23Å; I250-N274 WeakPolarHBondContact CB-OD1 3.24Å; I250-N274 WeakPolarHBondContact CG1-OD1 3.46Å; I250-N274 PolarHBondContact N-OD1 2.79Å; I250-N274 VanDerWaalsContact N-OD1 3.1Å; I271-N274 HydrophobicContact CG1-CB 4.4Å; I271-N274 WeakPolarHBondContact O-CB 3.29Å; I271-N274 PolarHBondContact O-ND2 2.95Å; A272-N274 VanDerWaalsContact C-N 3.3Å; A272-N274 PolarHBondContact O-N 3.16Å; N274-V276 HydrophobicContact CB-CG1 4.03Å; N274-V276 PolarHBondContact O-N 3.07Å; N274-V276 VanDerWaalsContact O-N 3.08Å; N274-V277 HydrophobicContact CB-CG2 4.38Å; N274-V277 VanDerWaalsContact O-CB 3.24Å; N274-V277 WeakPolarHBondContact O-CB 3.27Å; N274-V277 WeakPolarHBondContact O-CG2 3.24Å; N274-V277 PolarHBondContact O-N 2.85Å
275	P	97.4	Very high	95.1	Very high	65 Å²	65	41.4 Å²	41.4	42%	0.422	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-27.6	-177.7	-19.9	26.7	0	0	0	114.6	I250 A251 V277 D278 A279	I250-P275 VanDerWaalsContact O-CD 3.29Å; I250-P275 WeakPolarHBondContact O-CD 3.36Å; A251-P275 HydrophobicContact CB-CB 4.28Å; P275-V277 PolarHBondContact O-N 3.24Å; P275-V277 VanDerWaalsContact O-N 3.16Å; P275-D278 PolarHBondContact O-N 3.06Å; P275-A279 PolarHBondContact O-N 3.09Å
276	V	95.6	Very high	95	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-59.6	-24.8	174.9	71.3	0	0	0	0	113.5	I250 A251 L256 I271 N274 D278 A279 V280	I250-V276 HydrophobicContact CB-CG1 4.48Å; I250-V276 HydrophobicContact CG2-CB 4.44Å; I250-V276 HydrophobicContact CG2-CG1 4.11Å; I250-V276 WeakPolarHBondContact O-CB 3.21Å; I250-V276 WeakPolarHBondContact O-CG1 3.49Å; I250-V276 PolarHBondContact O-N 3.4Å; A251-V276 WeakPolarHBondContact O-CA 3.45Å; L256-V276 HydrophobicContact CD1-CG2 4.24Å; I271-V276 HydrophobicContact CD1-CG1 4Å; I271-V276 HydrophobicContact CG1-CG1 4.43Å; N274-V276 HydrophobicContact CB-CG1 4.03Å; N274-V276 PolarHBondContact O-N 3.07Å; N274-V276 VanDerWaalsContact O-N 3.08Å; V276-D278 VanDerWaalsContact C-N 3.27Å; V276-D278 PolarHBondContact O-N 3.16Å; V276-A279 PolarHBondContact O-N 3.1Å; V276-V280 HydrophobicContact CG2-CG2 3.71Å; V276-V280 VanDerWaalsContact O-CG2 3.3Å; V276-V280 WeakPolarHBondContact O-CG2 3.14Å
277	V	94.9	Very high	94.9	Very high	30 Å²	30	40.9 Å²	40.9	18%	0.182	23%	0.228	C	C	.	.	H	α-helix	trans	-65.4	-33.4	-179.6	173.7	0	0	0	0	111.4	I271 N274 P275 Y282	I271-V277 WeakPolarHBondContact O-CG2 3.05Å; N274-V277 HydrophobicContact CB-CG2 4.38Å; N274-V277 VanDerWaalsContact O-CB 3.24Å; N274-V277 WeakPolarHBondContact O-CB 3.27Å; N274-V277 WeakPolarHBondContact O-CG2 3.24Å; N274-V277 PolarHBondContact O-N 2.85Å; P275-V277 PolarHBondContact O-N 3.24Å; P275-V277 VanDerWaalsContact O-N 3.16Å; V277-Y282 HydrophobicContact CB-CD1 4.25Å; V277-Y282 HydrophobicContact CB-CE1 4.43Å; V277-Y282 HydrophobicContact CB-CG 4.48Å; V277-Y282 HydrophobicContact CG1-CD1 3.91Å; V277-Y282 HydrophobicContact CG1-CE1 3.65Å; V277-Y282 HydrophobicContact CG2-CD2 4.3Å; V277-Y282 HydrophobicContact CG2-CE2 4.38Å; V277-Y282 HydrophobicContact CG2-CG 4.36Å; V277-Y282 WeakPolarHBondContact O-CD1 3.24Å
278	D	92.3	Very high	94.7	Very high	148 Å²	148	39.8 Å²	39.8	79%	0.791	23%	0.226	S	C	*	.	H	α-helix	trans	-94.2	-22.7	-178.8	-59.2	-48	0	0	0	112.6	P275 V276	P275-D278 PolarHBondContact O-N 3.06Å; V276-D278 VanDerWaalsContact C-N 3.27Å; V276-D278 PolarHBondContact O-N 3.16Å
279	A	86.3	Confident	94.4	Very high	71 Å²	71	40.7 Å²	40.7	59%	0.587	23%	0.23	S	C	*	.	H	α-helix	trans	-82.1	-30.8	-172.1	0	0	0	0	0	114.4	P275 V276	P275-A279 PolarHBondContact O-N 3.09Å; V276-A279 PolarHBondContact O-N 3.1Å
280	V	84.5	Confident	94.3	Very high	54 Å²	54	40.7 Å²	40.7	33%	0.327	23%	0.23	S	C	.	.	S	Bend	trans	-139.2	165.4	-172.5	-67.8	0	0	0	0	110.5	V276 Y282	V276-V280 HydrophobicContact CG2-CG2 3.71Å; V276-V280 VanDerWaalsContact O-CG2 3.3Å; V276-V280 WeakPolarHBondContact O-CG2 3.14Å; V280-Y282 PolarHBondContact O-N 2.85Å
281	P	90.4	Very high	94.1	Very high	81 Å²	81	42.8 Å²	42.8	53%	0.526	24%	0.243	S	C	.	.			trans	-67.2	69.2	165.2	30.4	-36.8	0	0	0	110.2	R283 Q284 T285	P281-R283 PolarHBondContact O-N 3.05Å; P281-R283 VanDerWaalsContact O-N 3.11Å; P281-Q284 HydrophobicContact CB-CB 4.2Å; P281-Q284 WeakPolarHBondContact O-CA 3.28Å; P281-Q284 VanDerWaalsContact O-CB 3.32Å; P281-Q284 WeakPolarHBondContact O-CB 3.5Å; P281-Q284 PolarHBondContact O-N 3Å; P281-T285 PolarHBondContact O-N 3.24Å; P281-T285 VanDerWaalsContact O-N 3.1Å
282	Y	92.7	Very high	94	Very high	37 Å²	37	45.2 Å²	45.2	15%	0.145	26%	0.255	C	S	.	.	H	α-helix	trans	-58.7	-35.4	-164	79.6	-83.3	0	0	0	112.3	I271 V277 V280 Q284 T285 V286 I296 D297	I271-Y282 HydrophobicContact CG2-CD2 3.81Å; I271-Y282 HydrophobicContact CG2-CE2 3.67Å; V277-Y282 HydrophobicContact CB-CD1 4.25Å; V277-Y282 HydrophobicContact CB-CE1 4.43Å; V277-Y282 HydrophobicContact CB-CG 4.48Å; V277-Y282 HydrophobicContact CG1-CD1 3.91Å; V277-Y282 HydrophobicContact CG1-CE1 3.65Å; V277-Y282 HydrophobicContact CG2-CD2 4.3Å; V277-Y282 HydrophobicContact CG2-CE2 4.38Å; V277-Y282 HydrophobicContact CG2-CG 4.36Å; V277-Y282 WeakPolarHBondContact O-CD1 3.24Å; V280-Y282 PolarHBondContact O-N 2.85Å; Y282-Q284 VanDerWaalsContact C-N 3.33Å; Y282-Q284 PolarHBondContact O-N 3.44Å; Y282-T285 PolarHBondContact O-N 2.93Å; Y282-V286 WeakPolarHBondContact O-CB 3.41Å; Y282-V286 VanDerWaalsContact O-CG2 3.23Å; Y282-V286 WeakPolarHBondContact O-CG2 3.34Å; Y282-V286 PolarHBondContact O-N 3.08Å; Y282-I296 HydrophobicContact CE2-CG2 3.99Å; Y282-D297 VanDerWaalsContact CE2-OD2 3.24Å; Y282-D297 WeakPolarHBondContact CE2-OD2 3.38Å; Y282-D297 PolarHBondContact OH-OD2 2.78Å
283	R	95.1	Very high	94	Very high	49 Å²	49	44.6 Å²	44.6	19%	0.185	25%	0.249	C	C	.	.	H	α-helix	trans	-60.4	-43	174.8	-64.1	-178.1	62.1	89.8	-0.7	111.6	P281 L287 I296 E305	P281-R283 PolarHBondContact O-N 3.05Å; P281-R283 VanDerWaalsContact O-N 3.11Å; R283-L287 WeakPolarHBondContact O-CB 3.42Å; R283-L287 WeakPolarHBondContact O-CG 3.22Å; R283-L287 PolarHBondContact O-N 2.88Å; R283-I296 HydrophobicContact CG-CG2 4.32Å; R283-I296 PolarHBondContact NH1-O 3.02Å; R283-E305 IonicContact CZ-OE1 3.19Å; R283-E305 IonicContact NE-OE1 3.93Å; R283-E305 PolarHBondContact NE-OE1 3.11Å; R283-E305 IonicContact NH2-OE1 2.8Å; R283-E305 PolarHBondContact NH2-OE1 2.93Å; R283-E305 IonicContact NH2-OE2 3.47Å; R283-E305 PolarHBondContact NH2-OE2 2.68Å
284	Q	93.4	Very high	94	Very high	55 Å²	55	44.1 Å²	44.1	26%	0.257	25%	0.247	S	C	.	.	H	α-helix	trans	-65.9	-46.3	176.7	-170.6	177.6	29	0	0	110.8	P281 Y282 V286 L287 I288 A309 T312	P281-Q284 HydrophobicContact CB-CB 4.2Å; P281-Q284 WeakPolarHBondContact O-CA 3.28Å; P281-Q284 VanDerWaalsContact O-CB 3.32Å; P281-Q284 WeakPolarHBondContact O-CB 3.5Å; P281-Q284 PolarHBondContact O-N 3Å; Y282-Q284 VanDerWaalsContact C-N 3.33Å; Y282-Q284 PolarHBondContact O-N 3.44Å; Q284-V286 VanDerWaalsContact C-N 3.35Å; Q284-V286 PolarHBondContact O-N 3.18Å; Q284-L287 PolarHBondContact O-N 3.46Å; Q284-L287 VanDerWaalsContact O-N 3.14Å; Q284-I288 HydrophobicContact CG-CD1 4.48Å; Q284-I288 WeakPolarHBondContact O-CG1 3.19Å; Q284-I288 PolarHBondContact O-N 3.16Å; Q284-A309 HydrophobicContact CG-CB 4.21Å; Q284-T312 PolarHBondContact NE2-OG1 2.87Å
285	T	92.8	Very high	94	Very high	38 Å²	38	49.8 Å²	49.8	23%	0.233	27%	0.268	C	S	.	.	H	α-helix	trans	-58.1	-45.7	176.2	-55.3	0	0	0	0	111.8	P281 Y282 L287 I288 L289	P281-T285 PolarHBondContact O-N 3.24Å; P281-T285 VanDerWaalsContact O-N 3.1Å; Y282-T285 PolarHBondContact O-N 2.93Å; T285-L287 VanDerWaalsContact C-N 3.34Å; T285-L287 PolarHBondContact O-N 2.87Å; T285-I288 WeakPolarHBondContact O-CB 3.32Å; T285-I288 PolarHBondContact O-N 2.78Å; T285-L289 PolarHBondContact O-N 2.86Å
286	V	95.4	Very high	94.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60.5	-42.2	175.2	165.1	0	0	0	0	111.1	L256 L269 Y282 Q284 I288 L289 L290 L293 I296	L256-V286 HydrophobicContact CD1-CG2 4.16Å; L269-V286 HydrophobicContact CD2-CG1 3.8Å; L269-V286 HydrophobicContact CD2-CG2 4.06Å; Y282-V286 WeakPolarHBondContact O-CB 3.41Å; Y282-V286 VanDerWaalsContact O-CG2 3.23Å; Y282-V286 WeakPolarHBondContact O-CG2 3.34Å; Y282-V286 PolarHBondContact O-N 3.08Å; Q284-V286 VanDerWaalsContact C-N 3.35Å; Q284-V286 PolarHBondContact O-N 3.18Å; V286-I288 VanDerWaalsContact C-N 3.34Å; V286-I288 PolarHBondContact O-N 3.06Å; V286-L289 PolarHBondContact O-N 2.93Å; V286-L290 HydrophobicContact CG1-CD1 4.49Å; V286-L290 WeakPolarHBondContact O-CB 3.33Å; V286-L290 PolarHBondContact O-N 3.11Å; V286-L293 HydrophobicContact CG1-CD1 3.42Å; V286-L293 VanDerWaalsContact CG1-CD1 3.42Å; V286-I296 HydrophobicContact CB-CD1 4.27Å; V286-I296 HydrophobicContact CG1-CD1 3.68Å; V286-I296 HydrophobicContact CG1-CG1 4.16Å
287	L	95.9	Very high	94.1	Very high	3 Å²	3	47.9 Å²	47.9	2%	0.016	26%	0.255	C	S	.	.	H	α-helix	trans	-73.5	-22.5	179.8	-71.6	172.6	0	0	0	114.1	R283 Q284 T285 P291 L293 I296 V301 E305 A309	R283-L287 WeakPolarHBondContact O-CB 3.42Å; R283-L287 WeakPolarHBondContact O-CG 3.22Å; R283-L287 PolarHBondContact O-N 2.88Å; Q284-L287 PolarHBondContact O-N 3.46Å; Q284-L287 VanDerWaalsContact O-N 3.14Å; T285-L287 VanDerWaalsContact C-N 3.34Å; T285-L287 PolarHBondContact O-N 2.87Å; L287-P291 VanDerWaalsContact O-CA 3.27Å; L287-P291 WeakPolarHBondContact O-CA 3.25Å; L287-L293 HydrophobicContact CD2-CB 4.39Å; L287-I296 HydrophobicContact CD1-CD1 4.47Å; L287-I296 HydrophobicContact CD2-CD1 4Å; L287-I296 HydrophobicContact CG-CD1 3.92Å; L287-V301 HydrophobicContact CD1-CG1 3.9Å; L287-V301 HydrophobicContact CD2-CB 4.5Å; L287-V301 HydrophobicContact CD2-CG1 3.63Å; L287-V301 HydrophobicContact CD2-CG2 4.05Å; L287-V301 HydrophobicContact CG-CG1 4.43Å; L287-E305 HydrophobicContact CD1-CB 3.68Å; L287-A309 HydrophobicContact CB-CB 3.77Å
288	I	93.8	Very high	94	Very high	59 Å²	59	53.6 Å²	53.6	30%	0.303	28%	0.277	S	S	.	.	H	α-helix	trans	-65.5	-43.7	168.9	-72.2	168.6	0	0	0	109.6	Q284 T285 V286 A309 T312 I313	Q284-I288 HydrophobicContact CG-CD1 4.48Å; Q284-I288 WeakPolarHBondContact O-CG1 3.19Å; Q284-I288 PolarHBondContact O-N 3.16Å; T285-I288 WeakPolarHBondContact O-CB 3.32Å; T285-I288 PolarHBondContact O-N 2.78Å; V286-I288 VanDerWaalsContact C-N 3.34Å; V286-I288 PolarHBondContact O-N 3.06Å; I288-A309 HydrophobicContact CG1-CB 4.11Å; I288-T312 HydrophobicContact CD1-CG2 4.22Å; I288-I313 HydrophobicContact CB-CD1 4.36Å; I288-I313 HydrophobicContact CB-CG1 4.45Å; I288-I313 HydrophobicContact CG1-CD1 4.23Å; I288-I313 HydrophobicContact CG1-CG1 4.02Å; I288-I313 HydrophobicContact CG2-CD1 3.93Å; I288-I313 HydrophobicContact CG2-CG1 3.88Å
289	L	93.9	Very high	94.2	Very high	39 Å²	39	52.2 Å²	52.2	20%	0.204	27%	0.266	C	S	.	.	H	α-helix	trans	-76.2	-38.9	179.1	-63.1	171.6	0	0	0	112.7	L256 T263 T285 V286 P291	L256-L289 HydrophobicContact CB-CD1 3.87Å; L256-L289 WeakPolarHBondContact O-CD1 3.44Å; T263-L289 PolarHBondContact OG1-O 2.9Å; T285-L289 PolarHBondContact O-N 2.86Å; V286-L289 PolarHBondContact O-N 2.93Å; L289-P291 WeakPolarHBondContact O-CD 3.28Å
290	L	95.9	Very high	94.8	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.262	C	S	.	.			trans	-128.6	67.6	-171.6	-63	173.3	0	0	0	111.7	L259 L266 V286 Q292 L293	L259-L290 HydrophobicContact CB-CD1 3.96Å; L259-L290 HydrophobicContact CB-CD2 4.47Å; L259-L290 HydrophobicContact CB-CG 4.18Å; L259-L290 HydrophobicContact CD1-CD1 4.09Å; L259-L290 HydrophobicContact CD2-CD1 4.34Å; L259-L290 HydrophobicContact CG-CD1 4.37Å; L259-L290 WeakPolarHBondContact O-CD2 3.42Å; L266-L290 HydrophobicContact CD2-CD1 3.83Å; V286-L290 HydrophobicContact CG1-CD1 4.49Å; V286-L290 WeakPolarHBondContact O-CB 3.33Å; V286-L290 PolarHBondContact O-N 3.11Å; L290-Q292 VanDerWaalsContact C-OE1 3.3Å; L290-Q292 PolarHBondContact O-N 3.42Å; L290-L293 HydrophobicContact CB-CD1 3.65Å; L290-L293 HydrophobicContact CB-CG 3.76Å; L290-L293 HydrophobicContact CD1-CD1 3.65Å; L290-L293 HydrophobicContact CD1-CG 4.11Å; L290-L293 HydrophobicContact CG-CD1 4.33Å; L290-L293 PolarHBondContact O-N 3.46Å
291	P	94.9	Very high	95.4	Very high	48 Å²	48	51 Å²	51	31%	0.312	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-13.4	-173.7	26.6	-37	0	0	0	114.8	L287 L289 R306	L287-P291 VanDerWaalsContact O-CA 3.27Å; L287-P291 WeakPolarHBondContact O-CA 3.25Å; L289-P291 WeakPolarHBondContact O-CD 3.28Å; P291-R306 VanDerWaalsContact O-CZ 3.28Å; P291-R306 PolarHBondContact O-NH1 3.05Å
292	Q	95.1	Very high	95.7	Very high	52 Å²	52	50 Å²	50	24%	0.243	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-14	-179.1	76.9	-64	-23.9	0	0	114.3	T263 L266 L290 E294 R306	T263-Q292 WeakPolarHBondContact O-CG 3.41Å; T263-Q292 PolarHBondContact O-NE2 3.19Å; T263-Q292 PolarHBondContact O-OE1 3.38Å; L266-Q292 PolarHBondContact O-NE2 3.16Å; L290-Q292 VanDerWaalsContact C-OE1 3.3Å; L290-Q292 PolarHBondContact O-N 3.42Å; Q292-E294 PolarHBondContact O-N 2.91Å; Q292-R306 PolarHBondContact O-NH2 3.04Å
293	L	97.6	Very high	95.7	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.274	C	S	.	.			trans	-50.4	134.1	-175.3	-85.7	173.7	0	0	0	112.8	L266 K267 L269 V286 L287 L290 I296 V301 R306	L266-L293 HydrophobicContact CB-CD2 4.42Å; L266-L293 HydrophobicContact CD2-CD2 4.21Å; L266-L293 HydrophobicContact CG-CD2 4.06Å; K267-L293 VanDerWaalsContact C-CD2 3.41Å; K267-L293 WeakPolarHBondContact O-CD2 3.44Å; L269-L293 HydrophobicContact CB-CD1 4.14Å; L269-L293 HydrophobicContact CB-CD2 4.27Å; V286-L293 HydrophobicContact CG1-CD1 3.42Å; V286-L293 VanDerWaalsContact CG1-CD1 3.42Å; L287-L293 HydrophobicContact CD2-CB 4.39Å; L290-L293 HydrophobicContact CB-CD1 3.65Å; L290-L293 HydrophobicContact CB-CG 3.76Å; L290-L293 HydrophobicContact CD1-CD1 3.65Å; L290-L293 HydrophobicContact CD1-CG 4.11Å; L290-L293 HydrophobicContact CG-CD1 4.33Å; L290-L293 PolarHBondContact O-N 3.46Å; L293-I296 HydrophobicContact CD1-CD1 4.25Å; L293-I296 HydrophobicContact CD1-CG1 3.93Å; L293-V301 HydrophobicContact CB-CG2 4.38Å; L293-V301 WeakPolarHBondContact O-CB 3.09Å; L293-V301 WeakPolarHBondContact O-CG2 3.15Å; L293-R306 PolarHBondContact O-NH2 2.81Å
294	E	98.1	Very high	95.7	Very high	95 Å²	95	56.7 Å²	56.7	44%	0.444	29%	0.289	S	S	.	.	S	Bend	trans	-87.2	-36.5	177.2	-62.3	175.2	-165.6	0	0	111.1	K267 Q292 P300 V301	K267-E294 HydrophobicContact CB-CG 4.36Å; K267-E294 WeakPolarHBondContact O-CB 3.47Å; K267-E294 PolarHBondContact O-N 3.02Å; Q292-E294 PolarHBondContact O-N 2.91Å; E294-P300 WeakPolarHBondContact O-CA 3.21Å; E294-V301 PolarHBondContact O-N 3.12Å
295	R	98.5	Very high	95.8	Very high	122 Å²	122	56 Å²	56	46%	0.46	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	140.2	-178	-68	-177	168	98.3	-0.8	112.6	K267 T268 L269 E299	K267-R295 PolarHBondContact O-N 3.25Å; K267-R295 VanDerWaalsContact O-N 3.11Å; T268-R295 WeakPolarHBondContact CA-O 2.89Å; T268-R295 HydrophobicContact CG2-CB 4.03Å; L269-R295 PolarHBondContact N-O 2.92Å; L269-R295 VanDerWaalsContact N-O 3.13Å; R295-E299 CarbonylContact C-O 3.37Å; R295-E299 WeakPolarHBondContact CA-O 3.25Å
296	I	98.2	Very high	95.9	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	123.5	169.1	-61.5	168.6	0	0	0	107.2	L269 Y282 R283 V286 L287 L293 K298 E299 V301	L269-I296 CarbonylContact O-C 3.4Å; L269-I296 WeakPolarHBondContact O-CA 3.37Å; Y282-I296 HydrophobicContact CE2-CG2 3.99Å; R283-I296 HydrophobicContact CG-CG2 4.32Å; R283-I296 PolarHBondContact NH1-O 3.02Å; V286-I296 HydrophobicContact CB-CD1 4.27Å; V286-I296 HydrophobicContact CG1-CD1 3.68Å; V286-I296 HydrophobicContact CG1-CG1 4.16Å; L287-I296 HydrophobicContact CD1-CD1 4.47Å; L287-I296 HydrophobicContact CD2-CD1 4Å; L287-I296 HydrophobicContact CG-CD1 3.92Å; L293-I296 HydrophobicContact CD1-CD1 4.25Å; L293-I296 HydrophobicContact CD1-CG1 3.93Å; I296-K298 VanDerWaalsContact C-N 3.28Å; I296-K298 PolarHBondContact O-N 3.07Å; I296-E299 PolarHBondContact N-O 2.99Å; I296-E299 PolarHBondContact O-N 3Å; I296-E299 VanDerWaalsContact O-N 3.11Å; I296-V301 HydrophobicContact CD1-CG2 3.96Å; I296-V301 HydrophobicContact CG1-CG2 3.93Å
297	D	97.3	Very high	95.7	Very high	25 Å²	25	60.4 Å²	60.4	13%	0.134	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	40	-177.6	-60.7	-45.6	0	0	0	113.8	L269 V270 I271 A272 Y282 E299	L269-D297 PolarHBondContact O-N 2.99Å; V270-D297 WeakPolarHBondContact CA-OD1 3.41Å; I271-D297 PolarHBondContact N-OD1 3.14Å; A272-D297 HydrophobicContact CB-CB 4.38Å; A272-D297 WeakPolarHBondContact CB-OD1 3.38Å; A272-D297 PolarHBondContact N-OD1 3.12Å; Y282-D297 VanDerWaalsContact CE2-OD2 3.24Å; Y282-D297 WeakPolarHBondContact CE2-OD2 3.38Å; Y282-D297 PolarHBondContact OH-OD2 2.78Å; D297-E299 PolarHBondContact O-N 3.09Å; D297-E299 VanDerWaalsContact O-N 3.15Å
298	K	92.3	Very high	95.6	Very high	150 Å²	150	65 Å²	65	65%	0.652	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.7	-10.9	-176.1	-50.9	174.7	-179.7	175.1	0	115	I296	I296-K298 VanDerWaalsContact C-N 3.28Å; I296-K298 PolarHBondContact O-N 3.07Å
299	E	97.1	Very high	95.5	Very high	119 Å²	119	62.3 Å²	62.3	56%	0.556	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.8	139.4	174.6	-63.7	-54.5	137.2	0	0	111.7	R295 I296 D297	R295-E299 CarbonylContact C-O 3.37Å; R295-E299 WeakPolarHBondContact CA-O 3.25Å; I296-E299 PolarHBondContact N-O 2.99Å; I296-E299 PolarHBondContact O-N 3Å; I296-E299 VanDerWaalsContact O-N 3.11Å; D297-E299 PolarHBondContact O-N 3.09Å; D297-E299 VanDerWaalsContact O-N 3.15Å
300	P	97.7	Very high	95.3	Very high	78 Å²	78	68.2 Å²	68.2	51%	0.506	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	144.3	176.5	28.8	-33.7	0	0	0	111.5	E294	E294-P300 WeakPolarHBondContact O-CA 3.21Å
301	V	97.7	Very high	95	Very high	20 Å²	20	76 Å²	76	12%	0.121	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-80.4	124	171.9	175.1	0	0	0	0	109.5	L287 L293 E294 I296 R306	L287-V301 HydrophobicContact CD1-CG1 3.9Å; L287-V301 HydrophobicContact CD2-CB 4.5Å; L287-V301 HydrophobicContact CD2-CG1 3.63Å; L287-V301 HydrophobicContact CD2-CG2 4.05Å; L287-V301 HydrophobicContact CG-CG1 4.43Å; L293-V301 HydrophobicContact CB-CG2 4.38Å; L293-V301 WeakPolarHBondContact O-CB 3.09Å; L293-V301 WeakPolarHBondContact O-CG2 3.15Å; E294-V301 PolarHBondContact O-N 3.12Å; I296-V301 HydrophobicContact CD1-CG2 3.96Å; I296-V301 HydrophobicContact CG1-CG2 3.93Å; V301-R306 HydrophobicContact CG1-CG 3.71Å
302	T	96.9	Very high	94.5	Very high	61 Å²	61	75.6 Å²	75.6	37%	0.374	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-83.9	160.5	179.7	64.4	0	0	0	0	112.7	T304 E305 R306	T302-T304 VanDerWaalsContact C-N 3.29Å; T302-T304 PolarHBondContact O-N 3.05Å; T302-T304 PolarHBondContact OG1-OG1 2.74Å; T302-E305 WeakPolarHBondContact CB-OE2 3.42Å; T302-E305 PolarHBondContact N-OE2 2.67Å; T302-E305 VanDerWaalsContact OG1-CG 3.23Å; T302-E305 WeakPolarHBondContact OG1-CG 3.31Å; T302-E305 PolarHBondContact OG1-N 3.09Å; T302-E305 PolarHBondContact OG1-OE2 2.84Å; T302-R306 PolarHBondContact O-N 3.43Å
303	L	93.3	Very high	93.7	Very high	143 Å²	143	76.1 Å²	76.1	75%	0.749	36%	0.363	S	S	*	.	H	α-helix	trans	-64.4	-34.9	174.5	-70.4	175.9	0	0	0	112.3	R306 T307	L303-R306 PolarHBondContact O-N 3.22Å; L303-T307 WeakPolarHBondContact O-CG2 3.47Å; L303-T307 PolarHBondContact O-N 3.04Å; L303-T307 PolarHBondContact O-OG1 3.37Å
304	T	94.6	Very high	92.5	Very high	84 Å²	84	78.6 Å²	78.6	52%	0.515	38%	0.38	S	S	.	.	H	α-helix	trans	-61.4	-51.2	178.2	43.3	0	0	0	0	110.6	T302 R306 T307 E308	T302-T304 VanDerWaalsContact C-N 3.29Å; T302-T304 PolarHBondContact O-N 3.05Å; T302-T304 PolarHBondContact OG1-OG1 2.74Å; T304-R306 VanDerWaalsContact C-N 3.31Å; T304-R306 PolarHBondContact O-N 3.48Å; T304-T307 PolarHBondContact O-N 3.44Å; T304-T307 VanDerWaalsContact O-N 3.07Å; T304-T307 PolarHBondContact O-OG1 3.13Å; T304-E308 WeakPolarHBondContact O-CG 3.32Å; T304-E308 PolarHBondContact O-N 3.22Å
305	E	95.3	Very high	91.2	Very high	39 Å²	39	81.2 Å²	81.2	18%	0.182	39%	0.39	C	S	.	.	H	α-helix	trans	-56.9	-43.7	177.2	-70.6	168.5	110	0	0	111.8	R283 L287 T302 T307 E308 A309	R283-E305 IonicContact CZ-OE1 3.19Å; R283-E305 IonicContact NE-OE1 3.93Å; R283-E305 PolarHBondContact NE-OE1 3.11Å; R283-E305 IonicContact NH2-OE1 2.8Å; R283-E305 PolarHBondContact NH2-OE1 2.93Å; R283-E305 IonicContact NH2-OE2 3.47Å; R283-E305 PolarHBondContact NH2-OE2 2.68Å; L287-E305 HydrophobicContact CD1-CB 3.68Å; T302-E305 WeakPolarHBondContact CB-OE2 3.42Å; T302-E305 PolarHBondContact N-OE2 2.67Å; T302-E305 VanDerWaalsContact OG1-CG 3.23Å; T302-E305 WeakPolarHBondContact OG1-CG 3.31Å; T302-E305 PolarHBondContact OG1-N 3.09Å; T302-E305 PolarHBondContact OG1-OE2 2.84Å; E305-T307 PolarHBondContact O-N 2.9Å; E305-E308 PolarHBondContact O-N 2.91Å; E305-A309 WeakPolarHBondContact O-CB 3.41Å; E305-A309 PolarHBondContact O-N 2.72Å
306	R	94.1	Very high	90	Very high	68 Å²	68	79.8 Å²	79.8	26%	0.257	39%	0.392	S	S	.	.	H	α-helix	trans	-61.8	-42.1	176.5	-72.3	-177.3	180	-136.6	9.6	112.4	P291 Q292 L293 V301 T302 L303 T304 R310	P291-R306 VanDerWaalsContact O-CZ 3.28Å; P291-R306 PolarHBondContact O-NH1 3.05Å; Q292-R306 PolarHBondContact O-NH2 3.04Å; L293-R306 PolarHBondContact O-NH2 2.81Å; V301-R306 HydrophobicContact CG1-CG 3.71Å; T302-R306 PolarHBondContact O-N 3.43Å; L303-R306 PolarHBondContact O-N 3.22Å; T304-R306 VanDerWaalsContact C-N 3.31Å; T304-R306 PolarHBondContact O-N 3.48Å; R306-R310 WeakPolarHBondContact O-CG 3.45Å; R306-R310 PolarHBondContact O-N 3.26Å
307	T	92.6	Very high	88.6	Confident	64 Å²	64	84.4 Å²	84.4	39%	0.393	42%	0.416	S	S	.	.	H	α-helix	trans	-68.6	-35.7	178.5	57	0	0	0	0	112.4	L303 T304 E305 R311	L303-T307 WeakPolarHBondContact O-CG2 3.47Å; L303-T307 PolarHBondContact O-N 3.04Å; L303-T307 PolarHBondContact O-OG1 3.37Å; T304-T307 PolarHBondContact O-N 3.44Å; T304-T307 VanDerWaalsContact O-N 3.07Å; T304-T307 PolarHBondContact O-OG1 3.13Å; E305-T307 PolarHBondContact O-N 2.9Å; T307-R311 WeakPolarHBondContact O-CG 3.41Å; T307-R311 PolarHBondContact O-N 3.39Å; T307-R311 VanDerWaalsContact O-N 3.17Å
308	E	92.4	Very high	86.9	Confident	100 Å²	100	91.8 Å²	91.8	47%	0.467	44%	0.442	S	S	.	.	H	α-helix	trans	-68.3	-45.9	177.1	-73.4	171.9	-179.3	0	0	111.7	T304 E305 R310 R311 T312	T304-E308 WeakPolarHBondContact O-CG 3.32Å; T304-E308 PolarHBondContact O-N 3.22Å; E305-E308 PolarHBondContact O-N 2.91Å; E308-R310 VanDerWaalsContact C-N 3.34Å; E308-R310 PolarHBondContact O-N 3.08Å; E308-R311 PolarHBondContact O-N 3.24Å; E308-T312 PolarHBondContact O-N 3.08Å; E308-T312 PolarHBondContact O-OG1 3.22Å
309	A	92.2	Very high	85.3	Confident	2 Å²	2	87.2 Å²	87.2	2%	0.017	43%	0.433	C	S	.	.	H	α-helix	trans	-56.6	-45.1	174.9	0	0	0	0	0	112.2	Q284 L287 I288 E305 R311 T312 I313	Q284-A309 HydrophobicContact CG-CB 4.21Å; L287-A309 HydrophobicContact CB-CB 3.77Å; I288-A309 HydrophobicContact CG1-CB 4.11Å; E305-A309 WeakPolarHBondContact O-CB 3.41Å; E305-A309 PolarHBondContact O-N 2.72Å; A309-R311 VanDerWaalsContact C-N 3.33Å; A309-R311 PolarHBondContact O-N 3.15Å; A309-T312 PolarHBondContact O-N 2.86Å; A309-I313 PolarHBondContact O-N 2.88Å
310	R	90.3	Very high	83.6	Confident	162 Å²	162	87.8 Å²	87.8	61%	0.611	44%	0.435	S	S	*	.	H	α-helix	trans	-64	-34.2	177.4	-72.7	176.7	-178.7	-174.2	0.2	113.7	R306 E308 T312 S314	R306-R310 WeakPolarHBondContact O-CG 3.45Å; R306-R310 PolarHBondContact O-N 3.26Å; E308-R310 VanDerWaalsContact C-N 3.34Å; E308-R310 PolarHBondContact O-N 3.08Å; R310-T312 VanDerWaalsContact C-N 3.33Å; R310-S314 PolarHBondContact O-N 3.34Å
311	R	89.1	Confident	81.9	Confident	164 Å²	164	87.6 Å²	87.6	62%	0.619	44%	0.435	S	S	*	.	H	α-helix	trans	-69	-34	178	-76.7	173.2	-177.4	164.4	2.1	111.9	T307 E308 A309 S314 K315	T307-R311 WeakPolarHBondContact O-CG 3.41Å; T307-R311 PolarHBondContact O-N 3.39Å; T307-R311 VanDerWaalsContact O-N 3.17Å; E308-R311 PolarHBondContact O-N 3.24Å; A309-R311 VanDerWaalsContact C-N 3.33Å; A309-R311 PolarHBondContact O-N 3.15Å; R311-S314 PolarHBondContact O-N 2.7Å; R311-K315 WeakPolarHBondContact O-CG 3.46Å; R311-K315 PolarHBondContact O-N 3.02Å
312	T	83.9	Confident	80	Confident	39 Å²	39	89.8 Å²	89.8	24%	0.239	46%	0.456	C	S	.	.	H	α-helix	trans	-64.2	-47.3	177.6	-53.6	0	0	0	0	110.8	Q284 I288 E308 A309 R310 S314 K315 D316	Q284-T312 PolarHBondContact NE2-OG1 2.87Å; I288-T312 HydrophobicContact CD1-CG2 4.22Å; E308-T312 PolarHBondContact O-N 3.08Å; E308-T312 PolarHBondContact O-OG1 3.22Å; A309-T312 PolarHBondContact O-N 2.86Å; R310-T312 VanDerWaalsContact C-N 3.33Å; T312-S314 VanDerWaalsContact C-N 3.33Å; T312-S314 PolarHBondContact O-N 3.02Å; T312-K315 WeakPolarHBondContact O-CB 3.27Å; T312-K315 PolarHBondContact O-N 3.32Å; T312-D316 PolarHBondContact O-N 3.25Å
313	I	79.4	Confident	78.1	Confident	64 Å²	64	92 Å²	92	33%	0.328	47%	0.469	S	S	.	.	H	α-helix	trans	-53.4	-49.8	174.7	-58.9	169.6	0	0	0	111	I288 A309 K315 D316 D317	I288-I313 HydrophobicContact CB-CD1 4.36Å; I288-I313 HydrophobicContact CB-CG1 4.45Å; I288-I313 HydrophobicContact CG1-CD1 4.23Å; I288-I313 HydrophobicContact CG1-CG1 4.02Å; I288-I313 HydrophobicContact CG2-CD1 3.93Å; I288-I313 HydrophobicContact CG2-CG1 3.88Å; A309-I313 PolarHBondContact O-N 2.88Å; I313-K315 PolarHBondContact O-N 3.31Å; I313-D316 PolarHBondContact O-N 2.76Å; I313-D317 VanDerWaalsContact O-CG 3.3Å; I313-D317 PolarHBondContact O-N 2.93Å
314	S	70.8	Confident	76.2	Confident	51 Å²	51	93.3 Å²	93.3	36%	0.357	47%	0.471	S	S	.	.	H	α-helix	trans	-65.2	-21.4	179.9	176.6	0	0	0	0	114.3	R310 R311 T312 R318	R310-S314 PolarHBondContact O-N 3.34Å; R311-S314 PolarHBondContact O-N 2.7Å; T312-S314 VanDerWaalsContact C-N 3.33Å; T312-S314 PolarHBondContact O-N 3.02Å; S314-R318 WeakPolarHBondContact O-CD 3.49Å; S314-R318 VanDerWaalsContact O-CG 3.22Å; S314-R318 WeakPolarHBondContact O-CG 3.35Å
315	K	72.3	Confident	73.8	Confident	151 Å²	151	97.7 Å²	97.7	66%	0.657	50%	0.498	S	S	*	.	H	α-helix	trans	-82.5	-40.6	176.3	-76.2	177.5	178.4	-177.4	0	110.8	R311 T312 I313 R318 A319	R311-K315 WeakPolarHBondContact O-CG 3.46Å; R311-K315 PolarHBondContact O-N 3.02Å; T312-K315 WeakPolarHBondContact O-CB 3.27Å; T312-K315 PolarHBondContact O-N 3.32Å; I313-K315 PolarHBondContact O-N 3.31Å; K315-R318 PolarHBondContact O-N 3.13Å; K315-A319 PolarHBondContact O-N 3.06Å
316	D	73.1	Confident	72.8	Confident	92 Å²	92	100.6 Å²	100.6	49%	0.492	51%	0.514	S	S	.	.	H	α-helix	trans	-66.8	-44.6	178.1	-65.7	-17.2	0	0	0	110.7	T312 I313 R318 A319 E320	T312-D316 PolarHBondContact O-N 3.25Å; I313-D316 PolarHBondContact O-N 2.76Å; D316-R318 PolarHBondContact O-N 3.09Å; D316-R318 VanDerWaalsContact O-N 3.17Å; D316-A319 PolarHBondContact O-N 2.84Å; D316-E320 PolarHBondContact O-N 3.08Å
317	D	68.1	Low	71.6	Confident	96 Å²	96	102.3 Å²	102.3	51%	0.513	53%	0.527	S	S	.	.	H	α-helix	trans	-57.1	-34.8	174.7	-69.2	-20.9	0	0	0	112.6	I313 S321	I313-D317 VanDerWaalsContact O-CG 3.3Å; I313-D317 PolarHBondContact O-N 2.93Å; D317-S321 PolarHBondContact O-N 2.8Å; D317-S321 PolarHBondContact O-OG 3.02Å
318	R	61.2	Low	70.5	Confident	181 Å²	181	104.4 Å²	104.4	68%	0.683	54%	0.535	S	S	*	.	H	α-helix	trans	-78.1	-28.8	177.6	-76.4	177.8	-179.9	-170.6	0.2	112.9	S314 K315 D316 S321 A322	S314-R318 WeakPolarHBondContact O-CD 3.49Å; S314-R318 VanDerWaalsContact O-CG 3.22Å; S314-R318 WeakPolarHBondContact O-CG 3.35Å; K315-R318 PolarHBondContact O-N 3.13Å; D316-R318 PolarHBondContact O-N 3.09Å; D316-R318 VanDerWaalsContact O-N 3.17Å; R318-S321 WeakPolarHBondContact CA-OG 3.21Å; R318-S321 PolarHBondContact O-OG 2.95Å; R318-A322 PolarHBondContact O-N 3.04Å
319	A	59.8	Low	69.2	Low	54 Å²	54	104.7 Å²	104.7	45%	0.446	54%	0.539	S	S	.	.	H	α-helix	trans	-75.7	-42.4	176.9	0	0	0	0	0	111	K315 D316 S321 A322 T323	K315-A319 PolarHBondContact O-N 3.06Å; D316-A319 PolarHBondContact O-N 2.84Å; A319-S321 VanDerWaalsContact C-N 3.34Å; A319-S321 PolarHBondContact O-N 2.84Å; A319-A322 PolarHBondContact O-N 2.96Å; A319-T323 PolarHBondContact O-N 3.36Å; A319-T323 PolarHBondContact O-OG1 2.68Å
320	E	60.9	Low	67.8	Low	131 Å²	131	111.1 Å²	111.1	61%	0.612	57%	0.571	S	S	*	*	H	α-helix	trans	-66.3	-34.3	178.1	-72.1	-172	167.2	0	0	113.3	D316 A322 T323 H324	D316-E320 PolarHBondContact O-N 3.08Å; E320-A322 VanDerWaalsContact C-N 3.33Å; E320-T323 PolarHBondContact O-OG1 3.01Å; E320-H324 PolarHBondContact O-ND1 3Å
321	S	61.8	Low	66.3	Low	73 Å²	73	107.7 Å²	107.7	51%	0.51	57%	0.569	S	S	.	*	H	α-helix	trans	-73.4	-24.1	175.3	41.2	0	0	0	0	113	D317 R318 A319 T325	D317-S321 PolarHBondContact O-N 2.8Å; D317-S321 PolarHBondContact O-OG 3.02Å; R318-S321 WeakPolarHBondContact CA-OG 3.21Å; R318-S321 PolarHBondContact O-OG 2.95Å; A319-S321 VanDerWaalsContact C-N 3.34Å; A319-S321 PolarHBondContact O-N 2.84Å; S321-T325 PolarHBondContact O-OG1 3.4Å
322	A	57.1	Low	64.6	Low	66 Å²	66	103.7 Å²	103.7	55%	0.545	57%	0.565	S	S	.	*	H	α-helix	trans	-81.4	-21.2	175.4	0	0	0	0	0	113.7	R318 A319 E320	R318-A322 PolarHBondContact O-N 3.04Å; A319-A322 PolarHBondContact O-N 2.96Å; E320-A322 VanDerWaalsContact C-N 3.33Å
323	T	58.2	Low	63.1	Low	108 Å²	108	108.7 Å²	108.7	66%	0.663	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	-10.1	178.1	49.6	0	0	0	0	114.2	A319 E320	A319-T323 PolarHBondContact O-N 3.36Å; A319-T323 PolarHBondContact O-OG1 2.68Å; E320-T323 PolarHBondContact O-OG1 3.01Å
324	H	53.5	Low	61.8	Low	170 Å²	170	112.4 Å²	112.4	79%	0.787	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.1	15.1	178.4	-73	85.9	0	0	0	113.7	E320	E320-H324 PolarHBondContact O-ND1 3Å
325	T	44.6	Very low	61	Low	176 Å²	176	118 Å²	118	100%	1.08	64%	0.635	S	S	*	*			trans	-113.7	0	175	-7.7	0	0	0	0	110.7	S321	S321-T325 PolarHBondContact O-OG1 3.4Å

Retrieved 325 of 325 residues in 491.2 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).