A0A087XE43_POEFO Loading...

exodeoxyribonuclease III

Initiates repair of AP sites in DNA by catalyzing hydrolytic incision of the phosphodiester backbone immediately adjacent to the damage, generating a single-strand break with 5'-deoxyribose phosphate and 3'-hydroxyl ends.

AlphaFold DB , UniProt , Accession A0A087XE43, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 310 aa.

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(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	39.2	Very low	32.7	Very low	244 Å²	244	168.4 Å²	168.4	100%	1.202	87%	0.873	S	S	*	*				0	123.4	0	-87.8	164.1	160.7	0	0	108.8
2	K	36.5	Very low	32.7	Very low	205 Å²	205	162.8 Å²	162.8	89%	0.891	87%	0.871	S	S	*	*			trans	29.2	102.1	168.3	-67.5	178.9	175.4	178.3	0	117.9
3	R	27.6	Very low	32.5	Very low	262 Å²	262	163.6 Å²	163.6	99%	0.989	88%	0.875	S	S	*	*				48.6	116.2	69.8	-86.6	-172.6	179.6	177.4	0.9	115.5
4	G	32	Very low	32.2	Very low	86 Å²	86	156.9 Å²	156.9	89%	0.887	86%	0.864	S	S	*	*			trans	-173.5	112	157.3	0	0	0	0	0	111.2
5	K	34.6	Very low	32	Very low	200 Å²	200	158.7 Å²	158.7	87%	0.87	86%	0.864	S	S	*	*			trans	-126	144	-178.1	-174.3	-171.9	-172.4	-175.2	0	107.2
6	K	33.3	Very low	32	Very low	191 Å²	191	157.8 Å²	157.8	83%	0.83	86%	0.858	S	S	*	*			trans	168.8	118.6	153	-95.9	177	175.5	-171	0	108.3
7	T	31.7	Very low	32.1	Very low	106 Å²	106	158.1 Å²	158.1	65%	0.65	86%	0.858	S	S	*	*				53.3	138	78.6	63.5	0	0	0	0	112.2
8	D	31.3	Very low	32.3	Very low	149 Å²	149	156.3 Å²	156.3	80%	0.797	85%	0.854	S	S	*	*			cis	-164.5	170.8	13.1	-108.8	-21.3	0	0	0	108.9
9	D	31.9	Very low	32.4	Very low	150 Å²	150	151.8 Å²	151.8	80%	0.802	85%	0.847	S	S	*	*			trans	-16.1	143.8	161.5	-99.9	-28.3	0	0	0	120.4
10	T	31.6	Very low	32.9	Very low	144 Å²	144	150.5 Å²	150.5	88%	0.883	85%	0.849	S	S	*	*				-163.3	135.1	127.1	31.2	0	0	0	0	111.4
11	S	29.8	Very low	33.1	Very low	115 Å²	115	148 Å²	148	80%	0.804	85%	0.847	S	S	*	*			trans	-75.1	152.5	171.2	44.1	0	0	0	0	113.4
12	A	32.5	Very low	33.2	Very low	102 Å²	102	141.6 Å²	141.6	84%	0.843	83%	0.826	S	S	*	*			trans	-166.7	127	144.8	0	0	0	0	0	111.2
13	D	30	Very low	33.3	Very low	173 Å²	173	136.6 Å²	136.6	93%	0.925	82%	0.823	S	S	*	*			trans	-60.4	157.5	171.3	-66.9	-61.3	0	0	0	113.8
14	G	29	Very low	34.1	Very low	70 Å²	70	133.9 Å²	133.9	72%	0.722	82%	0.818	S	S	*	*			trans	163.5	80	162.9	0	0	0	0	0	117.3
15	E	29.5	Very low	34.6	Very low	184 Å²	184	139.6 Å²	139.6	86%	0.86	82%	0.819	S	S	*	*			trans	59.5	122.6	138	-65	-174.3	152.6	0	0	123.6
16	N	31.5	Very low	35.1	Very low	144 Å²	144	134.6 Å²	134.6	77%	0.77	82%	0.815	S	S	*	*			trans	57.1	103.2	136.4	-72.8	-19.9	0	0	0	120.3
17	D	33.6	Very low	35.9	Very low	162 Å²	162	135.2 Å²	135.2	87%	0.866	82%	0.817	S	S	*	*			trans	-131.6	117.8	138.2	-160.1	5.1	0	0	0	110.6	G19	D17-G19 PolarHBondContact O-N 3.46Å; D17-G19 VanDerWaalsContact O-N 3.08Å
18	T	35.8	Very low	36.7	Very low	127 Å²	127	139.9 Å²	139.9	78%	0.779	83%	0.829	S	S	*	*			trans	-76.4	87.6	-178.4	43.9	0	0	0	0	110.2	S20	T18-S20 PolarHBondContact O-N 3.09Å
19	G	33.8	Very low	37.8	Very low	71 Å²	71	138.1 Å²	138.1	73%	0.732	83%	0.828	S	S	*	*			trans	-77.3	106.7	170	0	0	0	0	0	112	D17 A21	D17-G19 PolarHBondContact O-N 3.46Å; D17-G19 VanDerWaalsContact O-N 3.08Å; G19-A21 PolarHBondContact O-N 3.21Å
20	S	43.5	Very low	38.9	Very low	125 Å²	125	138.9 Å²	138.9	87%	0.874	82%	0.824	S	S	*	*			trans	-63.6	101.6	170.4	70	0	0	0	0	110.7	T18	T18-S20 PolarHBondContact O-N 3.09Å
21	A	37.6	Very low	40.2	Very low	97 Å²	97	140.3 Å²	140.3	80%	0.802	82%	0.821	S	S	*	*			trans	-89.4	111.3	169.1	0	0	0	0	0	109.6	G19 A23	G19-A21 PolarHBondContact O-N 3.21Å; A21-A23 PolarHBondContact O-N 2.89Å
22	S	39.9	Very low	41.8	Very low	111 Å²	111	140.9 Å²	140.9	78%	0.776	82%	0.822	S	S	*	*			trans	-50.1	122.5	177.9	37.4	0	0	0	0	113	K24	S22-K24 PolarHBondContact O-N 3.15Å
23	A	38.9	Very low	43.7	Very low	100 Å²	100	143.2 Å²	143.2	83%	0.826	82%	0.815	S	S	*	*			trans	-59.6	106.6	169.3	0	0	0	0	0	109.7	A21 K25	A21-A23 PolarHBondContact O-N 2.89Å; A23-K25 PolarHBondContact O-N 3.35Å
24	K	45.2	Very low	46.2	Very low	204 Å²	204	139 Å²	139	89%	0.887	81%	0.805	S	S	*	*			trans	-59.7	103.6	166.5	-81.5	178.9	177.1	173.5	0	108.1	S22 A26	S22-K24 PolarHBondContact O-N 3.15Å; K24-A26 PolarHBondContact O-N 3.38Å
25	K	42	Very low	48.8	Very low	207 Å²	207	138.9 Å²	138.9	90%	0.9	79%	0.791	S	S	*	*			trans	-57.2	105.1	165	-89	-179.1	175.5	175.6	0	107.9	A23 K27	A23-K25 PolarHBondContact O-N 3.35Å; K25-K27 PolarHBondContact O-N 2.76Å
26	A	45.4	Very low	51.6	Low	94 Å²	94	134.2 Å²	134.2	78%	0.777	78%	0.775	S	S	*	*			trans	-55.2	114.1	166	0	0	0	0	0	107.7	K24 K28	K24-A26 PolarHBondContact O-N 3.38Å; A26-K28 VanDerWaalsContact C-N 3.34Å; A26-K28 PolarHBondContact O-N 3.03Å
27	K	50.6	Low	54.4	Low	205 Å²	205	132.3 Å²	132.3	89%	0.891	76%	0.764	S	S	*	*			trans	-65.7	98.6	171.8	-137.8	178.8	-173.1	179.9	0	105.3	K25 S29	K25-K27 PolarHBondContact O-N 2.76Å; K27-S29 PolarHBondContact O-N 2.91Å
28	K	47.1	Very low	57.3	Low	203 Å²	203	125.1 Å²	125.1	88%	0.883	73%	0.725	S	S	*	*			trans	-50.8	111.2	169.4	-87.9	-176	173.7	-177.2	0	106.6	A26 K30	A26-K28 VanDerWaalsContact C-N 3.34Å; A26-K28 PolarHBondContact O-N 3.03Å; K28-K30 PolarHBondContact O-N 3.16Å
29	S	54.2	Low	60.1	Low	112 Å²	112	126.5 Å²	126.5	78%	0.783	72%	0.723	S	S	*	*			trans	-58.9	108.9	166.4	47.2	0	0	0	0	106.1	K27 E31	K27-S29 PolarHBondContact O-N 2.91Å; S29-E31 PolarHBondContact O-N 3.49Å; S29-E31 VanDerWaalsContact O-N 3.16Å
30	K	56.3	Low	63	Low	167 Å²	167	124.9 Å²	124.9	73%	0.726	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-55.5	121.7	167.1	-115	-167.1	171.4	-153	0	105.7	K28 E33	K28-K30 PolarHBondContact O-N 3.16Å; K30-E33 IonicContact NZ-OE1 3.56Å; K30-E33 PolarHBondContact NZ-OE1 2.85Å
31	E	57.5	Low	65.5	Low	173 Å²	173	120.7 Å²	120.7	81%	0.808	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-52.3	137.4	165.6	-74.6	179.8	162.3	0	0	107.9	S29 E33	S29-E31 PolarHBondContact O-N 3.49Å; S29-E31 VanDerWaalsContact O-N 3.16Å; E31-E33 PolarHBondContact O-N 3.32Å
32	P	63.6	Low	68.3	Low	127 Å²	127	121.5 Å²	121.5	83%	0.825	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-60.6	117.7	179.8	22.8	-29.6	0	0	0	108.7	A34	P32-A34 PolarHBondContact O-N 2.85Å
33	E	73.9	Confident	71.1	Confident	152 Å²	152	119 Å²	119	71%	0.71	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-55.3	136.2	171.1	-85.8	164.6	-156.1	0	0	109	K30 E31	K30-E33 IonicContact NZ-OE1 3.56Å; K30-E33 PolarHBondContact NZ-OE1 2.85Å; E31-E33 PolarHBondContact O-N 3.32Å
34	A	81.6	Confident	73.9	Confident	85 Å²	85	120.1 Å²	120.1	70%	0.702	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-57.2	143.5	179.4	0	0	0	0	0	110.6	P32 V36	P32-A34 PolarHBondContact O-N 2.85Å; A34-V36 PolarHBondContact O-N 3.4Å
35	P	83.3	Confident	76.4	Confident	66 Å²	66	114.7 Å²	114.7	43%	0.429	61%	0.607	S	S	.	*	P	Polyproline II helix	trans	-63.5	132.9	-179.2	26.3	-33.2	0	0	0	110.5	L37 K268	P35-L37 HydrophobicContact CB-CD2 4.23Å; P35-L37 HydrophobicContact CG-CD2 4.3Å; P35-L37 PolarHBondContact O-N 3.39Å; P35-K268 WeakPolarHBondContact CB-O 3.32Å
36	V	87.4	Confident	79	Confident	86 Å²	86	108.3 Å²	108.3	52%	0.521	59%	0.586	S	S	.	*			trans	-74.6	106.4	170.5	-178.2	0	0	0	0	108.2	A34 N269	A34-V36 PolarHBondContact O-N 3.4Å; V36-N269 WeakPolarHBondContact O-CB 3.42Å; V36-N269 PolarHBondContact O-ND2 3.26Å
37	L	91.3	Very high	81.5	Confident	105 Å²	105	104.3 Å²	104.3	55%	0.55	55%	0.552	S	S	.	*			trans	-85.4	146.8	177.2	-56.2	-176	0	0	0	110.3	P35 N269	P35-L37 HydrophobicContact CB-CD2 4.23Å; P35-L37 HydrophobicContact CG-CD2 4.3Å; P35-L37 PolarHBondContact O-N 3.39Å; L37-N269 HydrophobicContact CD2-CB 3.91Å
38	Y	94.3	Very high	83.4	Confident	11 Å²	11	101.8 Å²	101.8	4%	0.043	54%	0.541	C	S	.	.			trans	-81	138.2	168.1	172.5	-100.8	0	0	0	109.9	D40 P41 F245 R252 N254 A255 N269 I292 N294	Y38-D40 HydrophobicContact CE1-CB 3.85Å; Y38-D40 PolarHBondContact OH-OD1 2.78Å; Y38-P41 WeakPolarHBondContact OH-CD 3.31Å; Y38-F245 HydrophobicContact CE2-CZ 4.4Å; Y38-R252 HydrophobicContact CD2-CG 4.46Å; Y38-R252 HydrophobicContact CE2-CG 3.97Å; Y38-N254 WeakPolarHBondContact CB-O 3.44Å; Y38-A255 HydrophobicContact CD2-CB 3.52Å; Y38-A255 HydrophobicContact CE2-CB 3.53Å; Y38-A255 HydrophobicContact CG-CB 4.17Å; Y38-N269 PolarHBondContact N-ND2 3.17Å; Y38-I292 HydrophobicContact CE1-CB 3.92Å; Y38-I292 HydrophobicContact CE1-CG2 4.18Å; Y38-N294 HydrophobicContact CD1-CB 3.92Å; Y38-N294 HydrophobicContact CE1-CB 4.49Å; Y38-N294 PolarHBondContact O-ND2 2.74Å
39	E	94.6	Very high	85.5	Confident	156 Å²	156	96 Å²	96	73%	0.729	52%	0.52	S	S	*	.			trans	-114	118.6	169.6	-65.1	-171.4	165.8	0	0	108.1	P41	E39-P41 WeakPolarHBondContact O-CD 3.42Å
40	D	95.1	Very high	87.5	Confident	37 Å²	37	93.3 Å²	93.3	20%	0.198	51%	0.509	C	S	.	.	P	Polyproline II helix	trans	-66	117.5	173.4	-165.4	30.6	0	0	0	109.1	Y38 K291 I292 R293	Y38-D40 HydrophobicContact CE1-CB 3.85Å; Y38-D40 PolarHBondContact OH-OD1 2.78Å; D40-K291 WeakPolarHBondContact OD1-CE 3.49Å; D40-K291 IonicContact OD1-NZ 3.72Å; D40-I292 WeakPolarHBondContact CB-O 3.26Å; D40-I292 PolarHBondContact OD1-N 2.94Å; D40-R293 WeakPolarHBondContact OD2-CD 3.47Å; D40-R293 IonicContact OD2-CZ 3.7Å; D40-R293 IonicContact OD2-NH1 2.85Å; D40-R293 PolarHBondContact OD2-NH1 3.42Å
41	P	95.6	Very high	89.4	Confident	36 Å²	36	90 Å²	90	23%	0.234	49%	0.492	C	S	.	.	P	Polyproline II helix	trans	-67.9	160	179.1	26.6	-31	0	0	0	110.5	Y38 E39 Y249 K291	Y38-P41 WeakPolarHBondContact OH-CD 3.31Å; E39-P41 WeakPolarHBondContact O-CD 3.42Å; P41-Y249 HydrophobicContact CG-CE1 4.32Å; P41-K291 VanDerWaalsContact O-CE 3.26Å; P41-K291 WeakPolarHBondContact O-CE 3.38Å; P41-K291 PolarHBondContact O-NZ 2.64Å
42	P	97.2	Very high	91.4	Very high	114 Å²	114	86 Å²	86	74%	0.74	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-53.5	151.7	173.4	-25.6	34.7	0	0	0	112.9	K291	P42-K291 PolarHBondContact O-NZ 2.91Å; P42-K291 VanDerWaalsContact O-NZ 3.16Å
43	D	97.8	Very high	93	Very high	59 Å²	59	81 Å²	81	32%	0.316	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-67.1	134.4	-178.3	-66.5	-9.4	0	0	0	111.3	M45 K291 R293 H307	D43-M45 HydrophobicContact CB-SD 4.12Å; D43-K291 WeakPolarHBondContact OD1-CE 3.37Å; D43-K291 IonicContact OD1-NZ 3.29Å; D43-R293 IonicContact OD1-CZ 2.78Å; D43-R293 IonicContact OD1-NH1 3.94Å; D43-R293 PolarHBondContact OD1-NH1 3.37Å; D43-R293 IonicContact OD1-NH2 3.81Å; D43-R293 PolarHBondContact OD1-NH2 3.21Å; D43-R293 VanDerWaalsContact OD1-NH2 3.14Å; D43-R293 IonicContact OD2-CZ 2.73Å; D43-R293 IonicContact OD2-NH1 2.73Å; D43-R293 IonicContact OD2-NH2 2.85Å; D43-R293 PolarHBondContact OD2-NH2 3.17Å; D43-H307 IonicContact OD2-CE1 3.74Å; D43-H307 IonicContact OD2-NE2 2.64Å; D43-H307 PolarHBondContact OD2-NE2 2.82Å
44	K	97.4	Very high	94.1	Very high	124 Å²	124	78.3 Å²	78.3	54%	0.539	44%	0.443	S	S	.	.			trans	-96.9	111.8	168.1	-65.6	179.3	-177.6	175.8	0	109.6	T46 C288 D289	K44-T46 VanDerWaalsContact C-N 3.33Å; K44-T46 PolarHBondContact O-N 3.48Å; K44-C288 CarbonylContact O-C 3.58Å; K44-C288 WeakPolarHBondContact O-CB 3.46Å; K44-D289 HydrophobicContact CB-CB 4.15Å; K44-D289 PolarHBondContact N-OD2 3.37Å; K44-D289 WeakPolarHBondContact O-CB 3.41Å
45	M	97.9	Very high	94.9	Very high	89 Å²	89	75.9 Å²	75.9	44%	0.438	42%	0.418	S	S	.	.			trans	-91.6	8.1	-175.6	-59.9	-55.7	-69.1	0	0	113.9	D43 S52 A53 H307	D43-M45 HydrophobicContact CB-SD 4.12Å; M45-S52 CarbonylContact O-C 3.59Å; M45-S52 VanDerWaalsContact O-CA 3.31Å; M45-S52 WeakPolarHBondContact O-CA 3.41Å; M45-A53 HydrophobicContact CE-CB 3.98Å; M45-A53 PolarHBondContact O-N 2.9Å; M45-H307 PolarHBondContact SD-ND1 2.94Å; M45-H307 VanDerWaalsContact SD-ND1 3.39Å
46	T	97.8	Very high	95.7	Very high	74 Å²	74	74.3 Å²	74.3	45%	0.454	40%	0.404	S	S	.	.	B	Isolated β-bridge	trans	-129.4	132.9	-177.2	-50.8	0	0	0	0	109.7	K44 R51	K44-T46 VanDerWaalsContact C-N 3.33Å; K44-T46 PolarHBondContact O-N 3.48Å; T46-R51 CarbonylContact C-O 3.59Å; T46-R51 WeakPolarHBondContact CA-O 3.38Å
47	S	96.6	Very high	96.2	Very high	9 Å²	9	70.2 Å²	70.2	6%	0.063	38%	0.379	C	S	.	.			trans	-73.4	170	177	61.3	0	0	0	0	112.4	D49 G50 R51 P285 L287 C288	S47-D49 PolarHBondContact O-N 3Å; S47-D49 PolarHBondContact OG-OD1 2.55Å; S47-G50 PolarHBondContact O-N 3.48Å; S47-G50 VanDerWaalsContact O-N 3.09Å; S47-G50 PolarHBondContact OG-N 2.79Å; S47-R51 PolarHBondContact N-O 3.05Å; S47-R51 PolarHBondContact OG-N 3.16Å; S47-R51 PolarHBondContact OG-O 3.13Å; S47-P285 WeakPolarHBondContact CB-O 3.26Å; S47-P285 PolarHBondContact OG-O 3.34Å; S47-L287 WeakPolarHBondContact CA-O 3.46Å; S47-C288 PolarHBondContact N-SG 3.37Å
48	K	90.9	Very high	96.6	Very high	153 Å²	153	65.2 Å²	65.2	67%	0.665	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-29.3	174.4	-71.1	-178.5	-179.4	173.9	0	112.7	E247	K48-E247 IonicContact NZ-OE1 3.74Å; K48-E247 PolarHBondContact NZ-OE1 2.88Å
49	D	91.8	Very high	96.8	Very high	82 Å²	82	64.7 Å²	64.7	44%	0.439	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	5.2	179.4	70.3	9.4	0	0	0	114.4	S47 R51 P285	S47-D49 PolarHBondContact O-N 3Å; S47-D49 PolarHBondContact OG-OD1 2.55Å; D49-R51 VanDerWaalsContact CG-NE 3.34Å; D49-R51 WeakPolarHBondContact OD1-CG 3.47Å; D49-R51 IonicContact OD1-CZ 2.85Å; D49-R51 PolarHBondContact OD1-N 3.12Å; D49-R51 IonicContact OD1-NE 3.4Å; D49-R51 PolarHBondContact OD1-NE 3.09Å; D49-R51 IonicContact OD1-NH2 3.76Å; D49-R51 IonicContact OD2-CZ 2.96Å; D49-R51 VanDerWaalsContact OD2-CZ 3.29Å; D49-R51 IonicContact OD2-NE 3.14Å; D49-R51 PolarHBondContact OD2-NE 2.77Å; D49-R51 IonicContact OD2-NH2 3.74Å; D49-R51 PolarHBondContact OD2-NH2 3.16Å; D49-P285 WeakPolarHBondContact OD2-CB 3.21Å
50	G	95.6	Very high	97	Very high	54 Å²	54	57.3 Å²	57.3	56%	0.557	32%	0.316	S	S	*	.	S	Bend	trans	89.7	3.7	172.9	0	0	0	0	0	115.5	S47	S47-G50 PolarHBondContact O-N 3.48Å; S47-G50 VanDerWaalsContact O-N 3.09Å; S47-G50 PolarHBondContact OG-N 2.79Å
51	R	97.3	Very high	97.2	Very high	99 Å²	99	55.5 Å²	55.5	37%	0.374	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-77.6	140.6	174.5	-66	-179.2	-72.3	149.7	-5.8	111	T46 S47 D49 P285 A309	T46-R51 CarbonylContact C-O 3.59Å; T46-R51 WeakPolarHBondContact CA-O 3.38Å; S47-R51 PolarHBondContact N-O 3.05Å; S47-R51 PolarHBondContact OG-N 3.16Å; S47-R51 PolarHBondContact OG-O 3.13Å; D49-R51 VanDerWaalsContact CG-NE 3.34Å; D49-R51 WeakPolarHBondContact OD1-CG 3.47Å; D49-R51 IonicContact OD1-CZ 2.85Å; D49-R51 PolarHBondContact OD1-N 3.12Å; D49-R51 IonicContact OD1-NE 3.4Å; D49-R51 PolarHBondContact OD1-NE 3.09Å; D49-R51 IonicContact OD1-NH2 3.76Å; D49-R51 IonicContact OD2-CZ 2.96Å; D49-R51 VanDerWaalsContact OD2-CZ 3.29Å; D49-R51 IonicContact OD2-NE 3.14Å; D49-R51 PolarHBondContact OD2-NE 2.77Å; D49-R51 IonicContact OD2-NH2 3.74Å; D49-R51 PolarHBondContact OD2-NH2 3.16Å; R51-P285 PolarHBondContact NH2-O 3.1Å; R51-A309 HydrophobicContact CB-CB 3.66Å; R51-A309 PolarHBondContact NH1-O 2.79Å
52	S	98.1	Very high	97.3	Very high	87 Å²	87	53.9 Å²	53.9	61%	0.608	30%	0.296	S	S	*	.	B	Isolated β-bridge	trans	-78.3	141.8	172.4	-60.7	0	0	0	0	110.7	M45 N54 A309	M45-S52 CarbonylContact O-C 3.59Å; M45-S52 VanDerWaalsContact O-CA 3.31Å; M45-S52 WeakPolarHBondContact O-CA 3.41Å; S52-N54 PolarHBondContact O-N 2.93Å; S52-A309 WeakPolarHBondContact O-CB 3.42Å
53	A	98.1	Very high	97.4	Very high	24 Å²	24	50.1 Å²	50.1	20%	0.198	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-57.3	129	173.6	0	0	0	0	0	110.3	M45 C288 H307 I308	M45-A53 HydrophobicContact CE-CB 3.98Å; M45-A53 PolarHBondContact O-N 2.9Å; A53-C288 HydrophobicContact CB-CB 4.11Å; A53-H307 HydrophobicContact CB-CB 4.02Å; A53-I308 WeakPolarHBondContact CA-O 3.42Å
54	N	97.4	Very high	97.4	Very high	95 Å²	95	47.7 Å²	47.7	51%	0.508	26%	0.259	S	S	.	.			trans	-117.5	2.2	176.9	65.1	-4	0	0	0	112.3	S52 I308 A309 V310	S52-N54 PolarHBondContact O-N 2.93Å; N54-I308 PolarHBondContact N-O 3.43Å; N54-I308 PolarHBondContact OD1-O 3.01Å; N54-I308 VanDerWaalsContact OD1-O 3.13Å; N54-A309 WeakPolarHBondContact OD1-CA 3.38Å; N54-V310 PolarHBondContact ND2-O 3.09Å; N54-V310 WeakPolarHBondContact OD1-CG2 3.41Å; N54-V310 PolarHBondContact OD1-N 3.22Å
55	M	98.2	Very high	97.5	Very high	34 Å²	34	41.8 Å²	41.8	17%	0.167	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	129.2	178.7	-174.2	77.3	61	0	0	109.5	I57 D83 F158 I308 V310	M55-I57 HydrophobicContact CG-CD1 4.09Å; M55-I57 HydrophobicContact CG-CG1 3.8Å; M55-D83 HydrophobicContact SD-CB 3.93Å; M55-F158 HydrophobicContact CE-CE1 4.02Å; M55-F158 HydrophobicContact CE-CZ 4.3Å; M55-I308 HydrophobicContact CB-CG2 3.79Å; M55-I308 HydrophobicContact CG-CG2 4.14Å; M55-I308 PolarHBondContact N-O 3.04Å; M55-I308 VanDerWaalsContact N-O 3.12Å; M55-I308 PolarHBondContact O-N 3.2Å; M55-I308 VanDerWaalsContact O-N 3.09Å; M55-V310 HydrophobicContact CB-CG2 4.07Å; M55-V310 HydrophobicContact CE-CG2 3.94Å
56	K	98.9	Very high	97.4	Very high	33 Å²	33	43.8 Å²	43.8	14%	0.143	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	118.7	170.5	-172.1	177.1	-173.2	178	0	109.6	E80 P82 D83 V84 T305 L306	K56-E80 WeakPolarHBondContact CE-O 3.41Å; K56-E80 VanDerWaalsContact CE-OE1 3.26Å; K56-E80 WeakPolarHBondContact CE-OE1 3.35Å; K56-E80 PolarHBondContact NZ-O 3.45Å; K56-E80 IonicContact NZ-OE1 3.15Å; K56-E80 PolarHBondContact NZ-OE1 3.36Å; K56-E80 IonicContact NZ-OE2 2.69Å; K56-E80 PolarHBondContact NZ-OE2 3.19Å; K56-P82 HydrophobicContact CG-CB 4.31Å; K56-P82 CarbonylContact O-C 3.47Å; K56-D83 PolarHBondContact N-OD2 3.14Å; K56-D83 PolarHBondContact O-N 2.97Å; K56-V84 PolarHBondContact O-N 2.89Å; K56-T305 HydrophobicContact CD-CG2 4.25Å; K56-T305 VanDerWaalsContact CE-CG2 3.47Å; K56-T305 HydrophobicContact CG-CG2 3.73Å; K56-L306 WeakPolarHBondContact CA-O 3.3Å
57	I	98.9	Very high	97.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	131	178.6	-50.9	176.9	0	0	0	108.3	M55 V84 F158 L160 V199 F277 T305 L306	M55-I57 HydrophobicContact CG-CD1 4.09Å; M55-I57 HydrophobicContact CG-CG1 3.8Å; I57-V84 WeakPolarHBondContact CA-O 3.49Å; I57-V84 HydrophobicContact CG2-CB 4.28Å; I57-F158 HydrophobicContact CD1-CE2 4.1Å; I57-F158 HydrophobicContact CD1-CZ 4.15Å; I57-L160 HydrophobicContact CD1-CD1 4.14Å; I57-L160 HydrophobicContact CD1-CD2 4.36Å; I57-L160 HydrophobicContact CG2-CD1 4.24Å; I57-L160 HydrophobicContact CG2-CD2 4.14Å; I57-V199 HydrophobicContact CD1-CG1 4.45Å; I57-F277 HydrophobicContact CB-CE1 3.99Å; I57-F277 HydrophobicContact CB-CZ 4.19Å; I57-F277 HydrophobicContact CG2-CE1 3.67Å; I57-F277 HydrophobicContact CG2-CZ 4.01Å; I57-F277 VanDerWaalsContact O-CZ 3.27Å; I57-F277 WeakPolarHBondContact O-CZ 3.43Å; I57-T305 CarbonylContact O-C 3.52Å; I57-T305 VanDerWaalsContact O-CA 3.32Å; I57-T305 WeakPolarHBondContact O-CA 3.46Å; I57-L306 HydrophobicContact CB-CB 4.37Å; I57-L306 HydrophobicContact CD1-CD2 4.39Å; I57-L306 PolarHBondContact N-O 2.72Å; I57-L306 PolarHBondContact O-N 2.98Å
58	T	98.9	Very high	97.5	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	135.7	175.1	-66.5	0	0	0	0	110.1	W76 P82 V84 L85 C86 P303 I304 T305	T58-W76 HydrophobicContact CG2-CH2 4.04Å; T58-W76 HydrophobicContact CG2-CZ3 3.88Å; T58-P82 WeakPolarHBondContact OG1-CB 3.47Å; T58-V84 PolarHBondContact N-O 3.04Å; T58-L85 HydrophobicContact CG2-CD1 4.04Å; T58-L85 CarbonylContact O-C 3.56Å; T58-L85 WeakPolarHBondContact O-CA 3.34Å; T58-C86 PolarHBondContact O-N 2.9Å; T58-P303 HydrophobicContact CG2-CB 3.89Å; T58-I304 CarbonylContact C-O 3.45Å; T58-I304 VanDerWaalsContact CA-O 3.3Å; T58-I304 WeakPolarHBondContact CA-O 3.25Å; T58-T305 PolarHBondContact OG1-OG1 2.9Å
59	S	99	Very high	97.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	138.2	172.9	-171.1	0	0	0	0	110.8	C86 Q88 G202 P303 I304	S59-C86 CarbonylContact C-O 3.49Å; S59-C86 VanDerWaalsContact CA-O 3.29Å; S59-C86 WeakPolarHBondContact CA-O 3.2Å; S59-Q88 PolarHBondContact OG-NE2 2.73Å; S59-Q88 PolarHBondContact OG-OE1 2.88Å; S59-Q88 VanDerWaalsContact OG-OE1 3.13Å; S59-G202 VanDerWaalsContact OG-CA 3.29Å; S59-G202 WeakPolarHBondContact OG-CA 3.44Å; S59-G202 PolarHBondContact OG-N 3.35Å; S59-P303 WeakPolarHBondContact O-CA 3.46Å; S59-I304 PolarHBondContact N-O 2.86Å; S59-I304 PolarHBondContact O-N 3.31Å
60	W	98.9	Very high	98.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	118.2	179.1	-158.7	-4.4	0	0	0	112.2	V62 W68 W76 C86 L87 Q88 A296 M297 H301 P303	W60-V62 HydrophobicContact CB-CG1 4.4Å; W60-V62 HydrophobicContact CG-CG1 4.34Å; W60-V62 PolarHBondContact O-N 2.83Å; W60-W68 AromaticContact CD2-NE1 3.7Å; W60-W68 AromaticContact CE2-NE1 3.76Å; W60-W68 AromaticContact CE3-CE2 3.8Å; W60-W68 AromaticContact CE3-CZ2 3.69Å; W60-W68 HydrophobicContact CE3-CZ2 3.69Å; W60-W68 AromaticContact CE3-NE1 3.37Å; W60-W68 AromaticContact CH2-NE1 3.26Å; W60-W68 VanDerWaalsContact CH2-NE1 3.26Å; W60-W68 AromaticContact CZ2-NE1 3.57Å; W60-W68 AromaticContact CZ3-CE2 3.69Å; W60-W68 AromaticContact CZ3-CZ2 3.65Å; W60-W68 HydrophobicContact CZ3-CZ2 3.65Å; W60-W68 AromaticContact CZ3-NE1 3.14Å; W60-W76 AromaticContact CE3-CE3 3.91Å; W60-W76 HydrophobicContact CE3-CE3 3.91Å; W60-W76 HydrophobicContact CE3-CZ3 4.12Å; W60-W76 HydrophobicContact CH2-CD2 4.41Å; W60-W76 HydrophobicContact CH2-CE3 4.3Å; W60-W76 HydrophobicContact CZ3-CB 4.46Å; W60-W76 AromaticContact CZ3-CD2 3.96Å; W60-W76 HydrophobicContact CZ3-CD2 3.96Å; W60-W76 AromaticContact CZ3-CE3 3.44Å; W60-W76 HydrophobicContact CZ3-CE3 3.44Å; W60-W76 VanDerWaalsContact CZ3-CE3 3.44Å; W60-W76 HydrophobicContact CZ3-CG 4.38Å; W60-W76 HydrophobicContact CZ3-CZ3 4.09Å; W60-C86 PolarHBondContact N-O 2.83Å; W60-L87 HydrophobicContact CB-CD2 4.21Å; W60-L87 WeakPolarHBondContact O-CA 3.18Å; W60-Q88 PolarHBondContact O-N 3.07Å; W60-Q88 PolarHBondContact O-OE1 2.68Å; W60-A296 HydrophobicContact CH2-CB 4.36Å; W60-M297 VanDerWaalsContact CH2-O 3.31Å; W60-M297 WeakPolarHBondContact CH2-O 3.32Å; W60-H301 PolarHBondContact NE1-O 3.07Å; W60-P303 HydrophobicContact CB-CB 4Å; W60-P303 HydrophobicContact CD2-CB 3.7Å; W60-P303 HydrophobicContact CD2-CG 3.69Å; W60-P303 VanDerWaalsContact CE2-CD 3.49Å; W60-P303 HydrophobicContact CE3-CB 3.9Å; W60-P303 HydrophobicContact CE3-CG 3.74Å; W60-P303 HydrophobicContact CG-CB 3.76Å; W60-P303 HydrophobicContact CG-CG 4.24Å; W60-P303 HydrophobicContact CH2-CG 4.13Å; W60-P303 HydrophobicContact CZ2-CG 4.1Å; W60-P303 HydrophobicContact CZ3-CG 3.96Å
61	N	98.9	Very high	98.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	115.6	159.8	-178.7	-25	0	0	0	108.9	D63 Q88 E89 D203 S299 H301	N61-D63 PolarHBondContact OD1-N 3.38Å; N61-Q88 WeakPolarHBondContact CA-O 3.35Å; N61-Q88 HydrophobicContact CB-CB 4.14Å; N61-Q88 VanDerWaalsContact N-OE1 3.15Å; N61-E89 PolarHBondContact ND2-OE2 3.31Å; N61-E89 WeakPolarHBondContact OD1-CB 3.34Å; N61-E89 PolarHBondContact OD1-OE2 2.86Å; N61-D203 HydrophobicContact CB-CB 4.23Å; N61-D203 PolarHBondContact ND2-OD2 2.75Å; N61-S299 VanDerWaalsContact O-CB 3.27Å; N61-S299 WeakPolarHBondContact O-CB 3.43Å; N61-S299 PolarHBondContact O-OG 2.82Å; N61-H301 HydrophobicContact CB-CB 4.02Å; N61-H301 WeakPolarHBondContact O-CB 3.49Å
62	V	98.8	Very high	98.1	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.006	22%	0.22	C	C	.	.			trans	-94.2	-3.1	-173.1	-65.9	0	0	0	0	114	W60 G64 L65 W68 L87 Q88	W60-V62 HydrophobicContact CB-CG1 4.4Å; W60-V62 HydrophobicContact CG-CG1 4.34Å; W60-V62 PolarHBondContact O-N 2.83Å; V62-G64 PolarHBondContact O-N 2.7Å; V62-L65 HydrophobicContact CG2-CB 4.46Å; V62-W68 HydrophobicContact CB-CB 3.82Å; V62-W68 HydrophobicContact CB-CD2 4.07Å; V62-W68 HydrophobicContact CB-CG 3.7Å; V62-W68 HydrophobicContact CG1-CB 4.38Å; V62-W68 HydrophobicContact CG1-CD2 3.65Å; V62-W68 HydrophobicContact CG1-CE3 4.19Å; V62-W68 HydrophobicContact CG1-CG 3.74Å; V62-W68 HydrophobicContact CG1-CZ2 4.34Å; V62-L87 HydrophobicContact CG1-CB 4.43Å; V62-L87 HydrophobicContact CG1-CD1 4.47Å; V62-L87 HydrophobicContact CG1-CD2 3.75Å; V62-L87 HydrophobicContact CG1-CG 4.44Å; V62-Q88 WeakPolarHBondContact CG2-O 3.38Å; V62-Q88 PolarHBondContact N-O 2.88Å
63	D	98.4	Very high	98.1	Very high	35 Å²	35	38.3 Å²	38.3	19%	0.187	19%	0.192	C	C	.	.	S	Bend	trans	46.1	49.1	-179.1	-178.8	33.2	0	0	0	112.6	N61 K91 Y261 D300	N61-D63 PolarHBondContact OD1-N 3.38Å; D63-K91 IonicContact OD1-NZ 2.85Å; D63-K91 PolarHBondContact OD1-NZ 3.24Å; D63-Y261 WeakPolarHBondContact OD2-CE2 3.43Å; D63-Y261 PolarHBondContact OD2-OH 3.43Å; D63-D300 WeakPolarHBondContact CB-OD1 3.4Å
64	G	98.1	Very high	98.1	Very high	8 Å²	8	37.6 Å²	37.6	8%	0.082	18%	0.184	C	C	.	.	S	Bend	trans	95.9	105.7	-175.2	0	0	0	0	0	113.6	V62 R66 A67 W68 E89 T90	V62-G64 PolarHBondContact O-N 2.7Å; G64-R66 PolarHBondContact O-N 2.85Å; G64-A67 PolarHBondContact O-N 3.28Å; G64-W68 PolarHBondContact O-N 2.99Å; G64-E89 WeakPolarHBondContact CA-O 3.42Å; G64-E89 PolarHBondContact N-O 3.38Å; G64-T90 WeakPolarHBondContact CA-O 3.2Å
65	L	98.3	Very high	98.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-52.6	-47.3	-175.6	179.7	65.8	0	0	0	113.3	V62 A67 W68 V69 L87 T90 C92 L97 P98 I101 W112	V62-L65 HydrophobicContact CG2-CB 4.46Å; L65-A67 VanDerWaalsContact C-N 3.32Å; L65-A67 PolarHBondContact O-N 2.99Å; L65-W68 HydrophobicContact CD1-CE3 4.05Å; L65-W68 HydrophobicContact CD1-CZ3 4.23Å; L65-W68 PolarHBondContact O-N 3.12Å; L65-V69 HydrophobicContact CD1-CG2 4.29Å; L65-V69 VanDerWaalsContact O-CG2 3.32Å; L65-V69 WeakPolarHBondContact O-CG2 3.49Å; L65-V69 PolarHBondContact O-N 3.14Å; L65-L87 HydrophobicContact CD1-CD1 4Å; L65-T90 VanDerWaalsContact CB-O 3.31Å; L65-T90 WeakPolarHBondContact CB-O 3.15Å; L65-T90 PolarHBondContact N-O 2.87Å; L65-C92 HydrophobicContact CB-CB 4.34Å; L65-C92 HydrophobicContact CD2-CB 4.24Å; L65-L97 HydrophobicContact CD2-CD2 3.63Å; L65-P98 HydrophobicContact CD2-CG 4.41Å; L65-P98 HydrophobicContact CG-CG 4.3Å; L65-I101 HydrophobicContact CD1-CD1 3.82Å; L65-I101 HydrophobicContact CD1-CG2 4.45Å; L65-I101 HydrophobicContact CD2-CG2 4.19Å; L65-W112 HydrophobicContact CD2-CH2 3.9Å; L65-W112 HydrophobicContact CD2-CZ3 3.6Å
66	R	97.4	Very high	98.2	Very high	132 Å²	132	37 Å²	37	50%	0.498	18%	0.179	S	C	.	.	H	α-helix	trans	-62.2	-38.9	-179.7	-71.8	176.9	-67.2	173.2	-2.6	112.5	G64 K70 P98	G64-R66 PolarHBondContact O-N 2.85Å; R66-K70 VanDerWaalsContact O-CG 3.29Å; R66-K70 WeakPolarHBondContact O-CG 3.29Å; R66-K70 PolarHBondContact O-N 3.25Å; R66-P98 HydrophobicContact CG-CG 3.87Å
67	A	97.8	Very high	98.2	Very high	45 Å²	45	35.4 Å²	35.4	37%	0.372	17%	0.172	S	C	.	.	H	α-helix	trans	-72.2	-41.5	179.4	0	0	0	0	0	110.7	G64 L65 K70 K71	G64-A67 PolarHBondContact O-N 3.28Å; L65-A67 VanDerWaalsContact C-N 3.32Å; L65-A67 PolarHBondContact O-N 2.99Å; A67-K70 PolarHBondContact O-N 3.44Å; A67-K71 VanDerWaalsContact O-CG 3.31Å; A67-K71 WeakPolarHBondContact O-CG 3.47Å; A67-K71 PolarHBondContact O-N 2.86Å; A67-K71 VanDerWaalsContact O-N 3.11Å
68	W	98.6	Very high	98.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-63.8	-42.9	176.4	174.1	86.5	0	0	0	113	W60 V62 G64 L65 K70 K71 G73 L74 V77 L87 I101	W60-W68 AromaticContact CD2-NE1 3.7Å; W60-W68 AromaticContact CE2-NE1 3.76Å; W60-W68 AromaticContact CE3-CE2 3.8Å; W60-W68 AromaticContact CE3-CZ2 3.69Å; W60-W68 HydrophobicContact CE3-CZ2 3.69Å; W60-W68 AromaticContact CE3-NE1 3.37Å; W60-W68 AromaticContact CH2-NE1 3.26Å; W60-W68 VanDerWaalsContact CH2-NE1 3.26Å; W60-W68 AromaticContact CZ2-NE1 3.57Å; W60-W68 AromaticContact CZ3-CE2 3.69Å; W60-W68 AromaticContact CZ3-CZ2 3.65Å; W60-W68 HydrophobicContact CZ3-CZ2 3.65Å; W60-W68 AromaticContact CZ3-NE1 3.14Å; V62-W68 HydrophobicContact CB-CB 3.82Å; V62-W68 HydrophobicContact CB-CD2 4.07Å; V62-W68 HydrophobicContact CB-CG 3.7Å; V62-W68 HydrophobicContact CG1-CB 4.38Å; V62-W68 HydrophobicContact CG1-CD2 3.65Å; V62-W68 HydrophobicContact CG1-CE3 4.19Å; V62-W68 HydrophobicContact CG1-CG 3.74Å; V62-W68 HydrophobicContact CG1-CZ2 4.34Å; G64-W68 PolarHBondContact O-N 2.99Å; L65-W68 HydrophobicContact CD1-CE3 4.05Å; L65-W68 HydrophobicContact CD1-CZ3 4.23Å; L65-W68 PolarHBondContact O-N 3.12Å; W68-K70 VanDerWaalsContact C-N 3.35Å; W68-K70 PolarHBondContact O-N 2.82Å; W68-K71 CarbonylContact O-C 3.58Å; W68-K71 PolarHBondContact O-N 2.95Å; W68-K71 VanDerWaalsContact O-N 3.08Å; W68-G73 VanDerWaalsContact CE2-CA 3.42Å; W68-G73 VanDerWaalsContact CZ2-O 3.25Å; W68-G73 WeakPolarHBondContact CZ2-O 3.37Å; W68-G73 PolarHBondContact O-N 3.35Å; W68-G73 VanDerWaalsContact O-N 3.08Å; W68-L74 HydrophobicContact CH2-CD2 3.64Å; W68-L74 HydrophobicContact CH2-CG 4.29Å; W68-L74 HydrophobicContact CZ3-CD2 3.46Å; W68-L74 VanDerWaalsContact CZ3-CD2 3.46Å; W68-L74 HydrophobicContact CZ3-CG 3.98Å; W68-V77 HydrophobicContact CH2-CG2 3.77Å; W68-V77 HydrophobicContact CZ2-CG2 3.78Å; W68-L87 HydrophobicContact CZ3-CD1 4.43Å; W68-I101 HydrophobicContact CZ3-CD1 4.26Å
69	V	97.8	Very high	98.1	Very high	14 Å²	14	47.9 Å²	47.9	9%	0.085	23%	0.226	C	C	.	.	H	α-helix	trans	-58.3	-46.4	173.2	169.3	0	0	0	0	110.8	L65 K71 N72 L74 P98 E100	L65-V69 HydrophobicContact CD1-CG2 4.29Å; L65-V69 VanDerWaalsContact O-CG2 3.32Å; L65-V69 WeakPolarHBondContact O-CG2 3.49Å; L65-V69 PolarHBondContact O-N 3.14Å; V69-K71 PolarHBondContact O-N 3.15Å; V69-N72 PolarHBondContact O-N 2.75Å; V69-L74 HydrophobicContact CG1-CD1 4Å; V69-L74 HydrophobicContact CG2-CD1 4.05Å; V69-L74 HydrophobicContact CG2-CG 4.12Å; V69-P98 HydrophobicContact CG1-CB 4.44Å; V69-P98 HydrophobicContact CG2-CB 4.41Å; V69-P98 HydrophobicContact CG2-CG 4.17Å; V69-E100 HydrophobicContact CG1-CB 4.1Å; V69-E100 HydrophobicContact CG1-CG 4.34Å
70	K	97.3	Very high	98.1	Very high	175 Å²	175	49 Å²	49	76%	0.761	23%	0.231	S	C	*	.	H	α-helix	trans	-63.8	-21.8	177.1	-73.4	176	-179.8	-175.3	0	114.1	R66 A67 W68 N72	R66-K70 VanDerWaalsContact O-CG 3.29Å; R66-K70 WeakPolarHBondContact O-CG 3.29Å; R66-K70 PolarHBondContact O-N 3.25Å; A67-K70 PolarHBondContact O-N 3.44Å; W68-K70 VanDerWaalsContact C-N 3.35Å; W68-K70 PolarHBondContact O-N 2.82Å; K70-N72 VanDerWaalsContact C-N 3.28Å
71	K	97.1	Very high	98.1	Very high	103 Å²	103	51.1 Å²	51.1	45%	0.448	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	20.9	175.6	-67.6	169.1	-177.6	174.1	0	112.1	A67 W68 V69 G73 Y261 G298	A67-K71 VanDerWaalsContact O-CG 3.31Å; A67-K71 WeakPolarHBondContact O-CG 3.47Å; A67-K71 PolarHBondContact O-N 2.86Å; A67-K71 VanDerWaalsContact O-N 3.11Å; W68-K71 CarbonylContact O-C 3.58Å; W68-K71 PolarHBondContact O-N 2.95Å; W68-K71 VanDerWaalsContact O-N 3.08Å; V69-K71 PolarHBondContact O-N 3.15Å; K71-G73 VanDerWaalsContact C-N 3.27Å; K71-G73 PolarHBondContact O-N 3.23Å; K71-Y261 PolarHBondContact NZ-OH 3.25Å; K71-G298 WeakPolarHBondContact CD-O 3.45Å; K71-G298 PolarHBondContact NZ-O 3.24Å
72	N	96.3	Very high	98.1	Very high	105 Å²	105	51.1 Å²	51.1	56%	0.561	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.6	27.3	178.2	-53.2	-25.8	0	0	0	114.3	V69 K70 L74 D75	V69-N72 PolarHBondContact O-N 2.75Å; K70-N72 VanDerWaalsContact C-N 3.28Å; N72-L74 PolarHBondContact O-N 2.85Å; N72-D75 HydrophobicContact CB-CB 4.49Å; N72-D75 PolarHBondContact O-N 3.5Å; N72-D75 VanDerWaalsContact O-N 3.11Å
73	G	97.8	Very high	98.1	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.01	26%	0.26	C	S	.	.	H	α-helix	trans	-59.8	-30.8	177.9	0	0	0	0	0	113.8	W68 K71 D75 W76 V77	W68-G73 VanDerWaalsContact CE2-CA 3.42Å; W68-G73 VanDerWaalsContact CZ2-O 3.25Å; W68-G73 WeakPolarHBondContact CZ2-O 3.37Å; W68-G73 PolarHBondContact O-N 3.35Å; W68-G73 VanDerWaalsContact O-N 3.08Å; K71-G73 VanDerWaalsContact C-N 3.27Å; K71-G73 PolarHBondContact O-N 3.23Å; G73-D75 VanDerWaalsContact C-N 3.34Å; G73-D75 PolarHBondContact O-N 3.38Å; G73-W76 PolarHBondContact O-N 2.87Å; G73-V77 PolarHBondContact O-N 3.06Å; G73-V77 VanDerWaalsContact O-N 3.15Å
74	L	97.9	Very high	98.1	Very high	8 Å²	8	51.8 Å²	51.8	4%	0.042	25%	0.252	C	S	.	.	H	α-helix	trans	-67.2	-32.3	176.3	-65.7	179.8	0	0	0	113.3	W68 V69 N72 W76 V77 R78 E100 I101 M104	W68-L74 HydrophobicContact CH2-CD2 3.64Å; W68-L74 HydrophobicContact CH2-CG 4.29Å; W68-L74 HydrophobicContact CZ3-CD2 3.46Å; W68-L74 VanDerWaalsContact CZ3-CD2 3.46Å; W68-L74 HydrophobicContact CZ3-CG 3.98Å; V69-L74 HydrophobicContact CG1-CD1 4Å; V69-L74 HydrophobicContact CG2-CD1 4.05Å; V69-L74 HydrophobicContact CG2-CG 4.12Å; N72-L74 PolarHBondContact O-N 2.85Å; L74-W76 VanDerWaalsContact C-N 3.33Å; L74-V77 PolarHBondContact O-N 3.13Å; L74-R78 WeakPolarHBondContact O-CG 3.41Å; L74-R78 PolarHBondContact O-N 3.02Å; L74-E100 HydrophobicContact CD1-CB 3.58Å; L74-I101 HydrophobicContact CD1-CB 4.34Å; L74-I101 HydrophobicContact CD2-CB 4.14Å; L74-I101 HydrophobicContact CD2-CD1 4.04Å; L74-I101 HydrophobicContact CD2-CG1 4.11Å; L74-M104 HydrophobicContact CD2-CE 4.43Å; L74-M104 HydrophobicContact CD2-SD 3.68Å
75	D	98.3	Very high	98.1	Very high	73 Å²	73	51.4 Å²	51.4	39%	0.39	25%	0.248	S	C	.	.	H	α-helix	trans	-67	-41.7	178	-63.1	-23.1	0	0	0	110	N72 G73 V77 R78 E79	N72-D75 HydrophobicContact CB-CB 4.49Å; N72-D75 PolarHBondContact O-N 3.5Å; N72-D75 VanDerWaalsContact O-N 3.11Å; G73-D75 VanDerWaalsContact C-N 3.34Å; G73-D75 PolarHBondContact O-N 3.38Å; D75-V77 VanDerWaalsContact C-N 3.31Å; D75-V77 PolarHBondContact O-N 3.16Å; D75-R78 WeakPolarHBondContact O-CB 3.45Å; D75-R78 PolarHBondContact O-N 3.06Å; D75-R78 VanDerWaalsContact O-N 3.12Å; D75-R78 IonicContact OD1-NH1 3.88Å; D75-R78 PolarHBondContact OD1-NH1 3.22Å; D75-E79 WeakPolarHBondContact O-CG 3.33Å; D75-E79 PolarHBondContact O-N 3.16Å
76	W	98.6	Very high	98.2	Very high	44 Å²	44	51.4 Å²	51.4	17%	0.167	25%	0.248	C	C	.	.	H	α-helix	trans	-60.8	-39.9	172.6	-174.2	82.8	0	0	0	112.3	T58 W60 G73 L74 R78 E79 E80 R293 A296 P303	T58-W76 HydrophobicContact CG2-CH2 4.04Å; T58-W76 HydrophobicContact CG2-CZ3 3.88Å; W60-W76 AromaticContact CE3-CE3 3.91Å; W60-W76 HydrophobicContact CE3-CE3 3.91Å; W60-W76 HydrophobicContact CE3-CZ3 4.12Å; W60-W76 HydrophobicContact CH2-CD2 4.41Å; W60-W76 HydrophobicContact CH2-CE3 4.3Å; W60-W76 HydrophobicContact CZ3-CB 4.46Å; W60-W76 AromaticContact CZ3-CD2 3.96Å; W60-W76 HydrophobicContact CZ3-CD2 3.96Å; W60-W76 AromaticContact CZ3-CE3 3.44Å; W60-W76 HydrophobicContact CZ3-CE3 3.44Å; W60-W76 VanDerWaalsContact CZ3-CE3 3.44Å; W60-W76 HydrophobicContact CZ3-CG 4.38Å; W60-W76 HydrophobicContact CZ3-CZ3 4.09Å; G73-W76 PolarHBondContact O-N 2.87Å; L74-W76 VanDerWaalsContact C-N 3.33Å; W76-R78 VanDerWaalsContact C-N 3.31Å; W76-R78 PolarHBondContact O-N 2.94Å; W76-E79 PolarHBondContact O-N 2.8Å; W76-E80 HydrophobicContact CD2-CB 4.47Å; W76-E80 HydrophobicContact CE3-CB 4.21Å; W76-E80 HydrophobicContact CH2-CB 3.68Å; W76-E80 HydrophobicContact CH2-CG 3.46Å; W76-E80 VanDerWaalsContact CH2-CG 3.46Å; W76-E80 HydrophobicContact CZ2-CB 3.93Å; W76-E80 HydrophobicContact CZ2-CG 3.96Å; W76-E80 HydrophobicContact CZ3-CB 3.83Å; W76-E80 HydrophobicContact CZ3-CG 3.94Å; W76-E80 WeakPolarHBondContact O-CB 3.26Å; W76-E80 PolarHBondContact O-N 3.41Å; W76-R293 HydrophobicContact CH2-CB 4.33Å; W76-R293 HydrophobicContact CH2-CG 4.02Å; W76-R293 HydrophobicContact CZ2-CB 3.74Å; W76-R293 HydrophobicContact CZ2-CG 3.68Å; W76-A296 HydrophobicContact CD2-CB 4.06Å; W76-A296 HydrophobicContact CG-CB 4.14Å; W76-A296 HydrophobicContact CZ2-CB 4.19Å; W76-P303 HydrophobicContact CD2-CG 4.16Å; W76-P303 HydrophobicContact CE3-CG 3.9Å; W76-P303 HydrophobicContact CH2-CB 3.49Å; W76-P303 VanDerWaalsContact CH2-CB 3.49Å; W76-P303 HydrophobicContact CH2-CG 3.21Å; W76-P303 HydrophobicContact CZ2-CB 4.26Å; W76-P303 HydrophobicContact CZ2-CG 3.52Å; W76-P303 HydrophobicContact CZ3-CB 3.64Å; W76-P303 HydrophobicContact CZ3-CG 3.42Å; W76-P303 VanDerWaalsContact CZ3-CG 3.42Å
77	V	98.6	Very high	98.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63.3	-37.4	175.2	167.2	0	0	0	0	111.9	W68 G73 L74 D75 A81 L85 M104 Y107	W68-V77 HydrophobicContact CH2-CG2 3.77Å; W68-V77 HydrophobicContact CZ2-CG2 3.78Å; G73-V77 PolarHBondContact O-N 3.06Å; G73-V77 VanDerWaalsContact O-N 3.15Å; L74-V77 PolarHBondContact O-N 3.13Å; D75-V77 VanDerWaalsContact C-N 3.31Å; D75-V77 PolarHBondContact O-N 3.16Å; V77-A81 WeakPolarHBondContact O-CA 3.48Å; V77-A81 PolarHBondContact O-N 2.98Å; V77-L85 HydrophobicContact CG1-CD2 3.86Å; V77-L85 HydrophobicContact CG2-CD1 4.08Å; V77-L85 HydrophobicContact CG2-CD2 3.89Å; V77-M104 HydrophobicContact CG1-CE 4.35Å; V77-Y107 HydrophobicContact CG1-CE2 3.89Å
78	R	98.4	Very high	98.3	Very high	104 Å²	104	43 Å²	43	39%	0.392	21%	0.207	S	C	.	.	H	α-helix	trans	-68	-37.6	176.1	-69.8	-179.1	-171.5	107.5	2.7	111.9	L74 D75 W76 M104 E106	L74-R78 WeakPolarHBondContact O-CG 3.41Å; L74-R78 PolarHBondContact O-N 3.02Å; D75-R78 WeakPolarHBondContact O-CB 3.45Å; D75-R78 PolarHBondContact O-N 3.06Å; D75-R78 VanDerWaalsContact O-N 3.12Å; D75-R78 IonicContact OD1-NH1 3.88Å; D75-R78 PolarHBondContact OD1-NH1 3.22Å; W76-R78 VanDerWaalsContact C-N 3.31Å; W76-R78 PolarHBondContact O-N 2.94Å; R78-M104 HydrophobicContact CG-CE 4.43Å; R78-E106 IonicContact NE-OE1 3.66Å; R78-E106 PolarHBondContact NE-OE1 3.09Å
79	E	98.3	Very high	98.3	Very high	157 Å²	157	44.4 Å²	44.4	73%	0.734	21%	0.214	S	C	*	.	H	α-helix	trans	-66.9	-43.9	173.9	-69.9	175.5	-178.3	0	0	111.9	D75 W76	D75-E79 WeakPolarHBondContact O-CG 3.33Å; D75-E79 PolarHBondContact O-N 3.16Å; W76-E79 PolarHBondContact O-N 2.8Å
80	E	98.6	Very high	98.3	Very high	23 Å²	23	43.9 Å²	43.9	11%	0.107	21%	0.21	C	C	.	.	H	α-helix	trans	-72	-31.3	179	-175.7	70	163	0	0	111.9	K56 W76 P82 R293 T305	K56-E80 WeakPolarHBondContact CE-O 3.41Å; K56-E80 VanDerWaalsContact CE-OE1 3.26Å; K56-E80 WeakPolarHBondContact CE-OE1 3.35Å; K56-E80 PolarHBondContact NZ-O 3.45Å; K56-E80 IonicContact NZ-OE1 3.15Å; K56-E80 PolarHBondContact NZ-OE1 3.36Å; K56-E80 IonicContact NZ-OE2 2.69Å; K56-E80 PolarHBondContact NZ-OE2 3.19Å; W76-E80 HydrophobicContact CD2-CB 4.47Å; W76-E80 HydrophobicContact CE3-CB 4.21Å; W76-E80 HydrophobicContact CH2-CB 3.68Å; W76-E80 HydrophobicContact CH2-CG 3.46Å; W76-E80 VanDerWaalsContact CH2-CG 3.46Å; W76-E80 HydrophobicContact CZ2-CB 3.93Å; W76-E80 HydrophobicContact CZ2-CG 3.96Å; W76-E80 HydrophobicContact CZ3-CB 3.83Å; W76-E80 HydrophobicContact CZ3-CG 3.94Å; W76-E80 WeakPolarHBondContact O-CB 3.26Å; W76-E80 PolarHBondContact O-N 3.41Å; E80-P82 VanDerWaalsContact C-CD 3.43Å; E80-R293 IonicContact OE1-CZ 2.94Å; E80-R293 IonicContact OE1-NE 3.71Å; E80-R293 PolarHBondContact OE1-NE 3.01Å; E80-R293 IonicContact OE1-NH2 3Å; E80-R293 PolarHBondContact OE1-NH2 2.86Å; E80-R293 IonicContact OE2-NE 2.79Å; E80-R293 IonicContact OE2-NH2 3.76Å; E80-T305 WeakPolarHBondContact OE1-CB 3.39Å; E80-T305 WeakPolarHBondContact OE1-CG2 3.19Å; E80-T305 PolarHBondContact OE1-OG1 3.1Å
81	A	98.6	Very high	98.3	Very high	46 Å²	46	38.2 Å²	38.2	38%	0.38	19%	0.186	S	C	.	.			trans	47.1	46.1	176.6	0	0	0	0	0	115.9	V77 K129	V77-A81 WeakPolarHBondContact O-CA 3.48Å; V77-A81 PolarHBondContact O-N 2.98Å; A81-K129 PolarHBondContact O-NZ 3.43Å
82	P	98.8	Very high	98.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.167	C	C	.	.			trans	-62.5	155.5	177.5	30.4	-37.8	0	0	0	112.2	K56 T58 E80 L85 Y107 K129	K56-P82 HydrophobicContact CG-CB 4.31Å; K56-P82 CarbonylContact O-C 3.47Å; T58-P82 WeakPolarHBondContact OG1-CB 3.47Å; E80-P82 VanDerWaalsContact C-CD 3.43Å; P82-L85 HydrophobicContact CG-CB 4.3Å; P82-Y107 WeakPolarHBondContact CD-OH 3.49Å; P82-Y107 WeakPolarHBondContact CG-OH 3.01Å; P82-Y107 VanDerWaalsContact O-CE1 3.27Å; P82-Y107 WeakPolarHBondContact O-CE1 3.21Å; P82-Y107 PolarHBondContact O-OH 2.93Å; P82-Y107 VanDerWaalsContact O-OH 3.05Å; P82-K129 WeakPolarHBondContact O-CE 3.15Å; P82-K129 PolarHBondContact O-NZ 2.89Å; P82-K129 VanDerWaalsContact O-NZ 3.14Å
83	D	98.8	Very high	97.8	Very high	47 Å²	47	30.4 Å²	30.4	25%	0.251	15%	0.152	S	C	.	.	S	Bend	trans	-76.9	-30.3	173.5	-56.8	-49	0	0	0	111.8	M55 K56 K129	M55-D83 HydrophobicContact SD-CB 3.93Å; K56-D83 PolarHBondContact N-OD2 3.14Å; K56-D83 PolarHBondContact O-N 2.97Å; D83-K129 PolarHBondContact O-N 3.47Å; D83-K129 IonicContact OD1-NZ 2.74Å; D83-K129 PolarHBondContact OD1-NZ 2.76Å
84	V	98.9	Very high	97.2	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.018	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	129.4	170.1	-171.3	0	0	0	0	110.7	K56 I57 T58 M126 L127 C128 F155 L160	K56-V84 PolarHBondContact O-N 2.89Å; I57-V84 WeakPolarHBondContact CA-O 3.49Å; I57-V84 HydrophobicContact CG2-CB 4.28Å; T58-V84 PolarHBondContact N-O 3.04Å; V84-M126 HydrophobicContact CG1-CG 3.7Å; V84-M126 HydrophobicContact CG1-SD 4.13Å; V84-L127 CarbonylContact C-O 3.58Å; V84-L127 WeakPolarHBondContact CA-O 3.43Å; V84-C128 HydrophobicContact CG2-CB 4.44Å; V84-F155 HydrophobicContact CG2-CE2 4.39Å; V84-F155 HydrophobicContact CG2-CZ 3.84Å; V84-L160 HydrophobicContact CB-CD2 3.97Å; V84-L160 HydrophobicContact CG1-CD2 3.44Å; V84-L160 VanDerWaalsContact CG1-CD2 3.44Å; V84-L160 HydrophobicContact CG2-CD2 4.28Å
85	L	98.9	Very high	96.8	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	122.7	173.3	175.7	71	0	0	0	109.8	T58 V77 P82 L87 Y107 M126 L127	T58-L85 HydrophobicContact CG2-CD1 4.04Å; T58-L85 CarbonylContact O-C 3.56Å; T58-L85 WeakPolarHBondContact O-CA 3.34Å; V77-L85 HydrophobicContact CG1-CD2 3.86Å; V77-L85 HydrophobicContact CG2-CD1 4.08Å; V77-L85 HydrophobicContact CG2-CD2 3.89Å; P82-L85 HydrophobicContact CG-CB 4.3Å; L85-L87 HydrophobicContact CD1-CD2 3.73Å; L85-L87 HydrophobicContact CD2-CD1 4.25Å; L85-L87 HydrophobicContact CD2-CD2 3.91Å; L85-L87 HydrophobicContact CD2-CG 4.16Å; L85-L87 HydrophobicContact CG-CD2 3.71Å; L85-L87 HydrophobicContact CG-CG 4.06Å; L85-Y107 HydrophobicContact CB-CE1 4.45Å; L85-M126 CarbonylContact O-C 3.58Å; L85-M126 WeakPolarHBondContact O-CA 3.45Å; L85-L127 HydrophobicContact CB-CB 4.27Å; L85-L127 PolarHBondContact N-O 2.81Å; L85-L127 PolarHBondContact O-N 2.86Å
86	C	98.9	Very high	96.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	123.6	175.8	-62	0	0	0	0	109.4	T58 S59 W60 Q88 A125 T162 C201	T58-C86 PolarHBondContact O-N 2.9Å; S59-C86 CarbonylContact C-O 3.49Å; S59-C86 VanDerWaalsContact CA-O 3.29Å; S59-C86 WeakPolarHBondContact CA-O 3.2Å; W60-C86 PolarHBondContact N-O 2.83Å; C86-Q88 PolarHBondContact O-NE2 2.64Å; C86-A125 WeakPolarHBondContact CA-O 3.31Å; C86-T162 HydrophobicContact CB-CG2 4.37Å; C86-C201 PolarHBondContact SG-SG 3.13Å
87	L	98.9	Very high	96.3	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	137.6	179.9	-54.5	-178.6	0	0	0	110.4	W60 V62 L65 W68 L85 T90 I101 V124 A125 L127	W60-L87 HydrophobicContact CB-CD2 4.21Å; W60-L87 WeakPolarHBondContact O-CA 3.18Å; V62-L87 HydrophobicContact CG1-CB 4.43Å; V62-L87 HydrophobicContact CG1-CD1 4.47Å; V62-L87 HydrophobicContact CG1-CD2 3.75Å; V62-L87 HydrophobicContact CG1-CG 4.44Å; L65-L87 HydrophobicContact CD1-CD1 4Å; W68-L87 HydrophobicContact CZ3-CD1 4.43Å; L85-L87 HydrophobicContact CD1-CD2 3.73Å; L85-L87 HydrophobicContact CD2-CD1 4.25Å; L85-L87 HydrophobicContact CD2-CD2 3.91Å; L85-L87 HydrophobicContact CD2-CG 4.16Å; L85-L87 HydrophobicContact CG-CD2 3.71Å; L85-L87 HydrophobicContact CG-CG 4.06Å; L87-T90 HydrophobicContact CB-CG2 4.31Å; L87-I101 HydrophobicContact CD1-CD1 3.75Å; L87-V124 CarbonylContact O-C 3.39Å; L87-V124 WeakPolarHBondContact O-CA 3.5Å; L87-V124 WeakPolarHBondContact O-CB 3.49Å; L87-A125 HydrophobicContact CB-CB 4.16Å; L87-A125 PolarHBondContact N-O 2.92Å; L87-A125 PolarHBondContact O-N 2.93Å; L87-L127 HydrophobicContact CD1-CD1 4.39Å
88	Q	98.9	Very high	96.2	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	158.3	174.7	-58.4	82.8	43	0	0	111.1	S59 W60 N61 V62 C86 T90 G123 V124 T162 A163 Y164	S59-Q88 PolarHBondContact OG-NE2 2.73Å; S59-Q88 PolarHBondContact OG-OE1 2.88Å; S59-Q88 VanDerWaalsContact OG-OE1 3.13Å; W60-Q88 PolarHBondContact O-N 3.07Å; W60-Q88 PolarHBondContact O-OE1 2.68Å; N61-Q88 WeakPolarHBondContact CA-O 3.35Å; N61-Q88 HydrophobicContact CB-CB 4.14Å; N61-Q88 VanDerWaalsContact N-OE1 3.15Å; V62-Q88 WeakPolarHBondContact CG2-O 3.38Å; V62-Q88 PolarHBondContact N-O 2.88Å; C86-Q88 PolarHBondContact O-NE2 2.64Å; Q88-T90 VanDerWaalsContact C-N 3.34Å; Q88-T90 PolarHBondContact O-N 2.96Å; Q88-G123 CarbonylContact C-O 3.47Å; Q88-V124 HydrophobicContact CB-CG1 4.47Å; Q88-V124 HydrophobicContact CG-CG1 4.23Å; Q88-T162 PolarHBondContact NE2-OG1 2.77Å; Q88-A163 WeakPolarHBondContact CG-O 3.39Å; Q88-Y164 HydrophobicContact CB-CD2 4.22Å; Q88-Y164 HydrophobicContact CB-CG 4.33Å
89	E	98.3	Very high	96.1	Very high	30 Å²	30	42.8 Å²	42.8	14%	0.14	23%	0.229	C	C	.	.			trans	55.3	46.1	179.8	-142.8	-179.6	152.9	0	0	113	N61 G64 K91 S122 G123 Y164	N61-E89 PolarHBondContact ND2-OE2 3.31Å; N61-E89 WeakPolarHBondContact OD1-CB 3.34Å; N61-E89 PolarHBondContact OD1-OE2 2.86Å; G64-E89 WeakPolarHBondContact CA-O 3.42Å; G64-E89 PolarHBondContact N-O 3.38Å; E89-K91 VanDerWaalsContact CD-CE 3.47Å; E89-K91 VanDerWaalsContact CG-CE 3.43Å; E89-K91 HydrophobicContact CG-CG 4.27Å; E89-K91 PolarHBondContact O-N 2.99Å; E89-K91 WeakPolarHBondContact OE1-CE 3.34Å; E89-K91 IonicContact OE1-NZ 2.74Å; E89-K91 PolarHBondContact OE1-NZ 2.83Å; E89-S122 CarbonylContact C-O 3.29Å; E89-G123 WeakPolarHBondContact CA-O 3.34Å; E89-G123 PolarHBondContact N-O 2.93Å; E89-Y164 HydrophobicContact CB-CE1 4.37Å; E89-Y164 HydrophobicContact CB-CE2 4.23Å; E89-Y164 HydrophobicContact CG-CE1 3.88Å; E89-Y164 HydrophobicContact CG-CE2 4.21Å; E89-Y164 PolarHBondContact OE1-OH 2.91Å; E89-Y164 PolarHBondContact OE2-OH 2.95Å
90	T	98.3	Very high	96.1	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.012	22%	0.219	C	C	.	.			trans	-63	-27.9	-177.3	62.1	0	0	0	0	112.7	G64 L65 L87 Q88 C92 W112 S122 G123 A125	G64-T90 WeakPolarHBondContact CA-O 3.2Å; L65-T90 VanDerWaalsContact CB-O 3.31Å; L65-T90 WeakPolarHBondContact CB-O 3.15Å; L65-T90 PolarHBondContact N-O 2.87Å; L87-T90 HydrophobicContact CB-CG2 4.31Å; Q88-T90 VanDerWaalsContact C-N 3.34Å; Q88-T90 PolarHBondContact O-N 2.96Å; T90-C92 WeakPolarHBondContact O-CB 3.44Å; T90-C92 PolarHBondContact O-N 3.4Å; T90-C92 VanDerWaalsContact O-N 3.12Å; T90-W112 HydrophobicContact CG2-CZ3 4.48Å; T90-S122 PolarHBondContact N-O 2.75Å; T90-G123 PolarHBondContact N-O 3.2Å; T90-G123 WeakPolarHBondContact OG1-CA 3.37Å; T90-A125 HydrophobicContact CG2-CB 4.18Å
91	K	96.7	Very high	96	Very high	56 Å²	56	39.5 Å²	39.5	24%	0.243	21%	0.214	C	C	.	.			trans	49.3	36.6	-178.1	-58.7	178.1	-168.4	179.1	0	111.9	D63 E89 G120 S122	D63-K91 IonicContact OD1-NZ 2.85Å; D63-K91 PolarHBondContact OD1-NZ 3.24Å; E89-K91 VanDerWaalsContact CD-CE 3.47Å; E89-K91 VanDerWaalsContact CG-CE 3.43Å; E89-K91 HydrophobicContact CG-CG 4.27Å; E89-K91 PolarHBondContact O-N 2.99Å; E89-K91 WeakPolarHBondContact OE1-CE 3.34Å; E89-K91 IonicContact OE1-NZ 2.74Å; E89-K91 PolarHBondContact OE1-NZ 2.83Å; K91-G120 WeakPolarHBondContact CB-O 3.47Å; K91-G120 WeakPolarHBondContact CG-O 3.39Å; K91-S122 WeakPolarHBondContact CA-O 3.34Å; K91-S122 PolarHBondContact N-O 3.15Å
92	C	92.9	Very high	95.9	Very high	9 Å²	9	39.8 Å²	39.8	6%	0.061	21%	0.21	C	C	.	.			trans	-139.3	123.7	-169.7	-157.4	0	0	0	0	110.7	L65 T90 A96 L97	L65-C92 HydrophobicContact CB-CB 4.34Å; L65-C92 HydrophobicContact CD2-CB 4.24Å; T90-C92 WeakPolarHBondContact O-CB 3.44Å; T90-C92 PolarHBondContact O-N 3.4Å; T90-C92 VanDerWaalsContact O-N 3.12Å; C92-A96 PolarHBondContact SG-O 3.49Å; C92-L97 HydrophobicContact CB-CD2 4.28Å
93	S	90.4	Very high	95.8	Very high	35 Å²	35	43.8 Å²	43.8	25%	0.245	24%	0.239	C	C	.	.			trans	-72.9	157	166.5	60.2	0	0	0	0	109.9	K95 A96 L97	S93-K95 PolarHBondContact O-N 3.4Å; S93-A96 PolarHBondContact O-N 3.05Å; S93-L97 PolarHBondContact O-N 3.08Å
94	E	86.3	Confident	95.6	Very high	133 Å²	133	41.7 Å²	41.7	62%	0.621	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-55.5	-37.2	179.8	-69.7	-177	-168.5	0	0	112.8	A96 L97 W112	E94-A96 PolarHBondContact O-N 3.33Å; E94-L97 HydrophobicContact CB-CD1 4.47Å; E94-L97 WeakPolarHBondContact O-CG 3.48Å; E94-L97 PolarHBondContact O-N 3.11Å; E94-W112 HydrophobicContact CG-CB 4.47Å
95	K	87.8	Confident	95.6	Very high	214 Å²	214	46.7 Å²	46.7	93%	0.93	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-68.2	-18.7	179.3	-60.5	179.4	-176.2	175.9	0	113.6	S93	S93-K95 PolarHBondContact O-N 3.4Å
96	A	92.1	Very high	95.5	Very high	33 Å²	33	50.3 Å²	50.3	27%	0.273	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-108.3	6.9	-175.3	0	0	0	0	0	113.1	C92 S93 E94	C92-A96 PolarHBondContact SG-O 3.49Å; S93-A96 PolarHBondContact O-N 3.05Å; E94-A96 PolarHBondContact O-N 3.33Å
97	L	95.3	Very high	95.5	Very high	32 Å²	32	50.4 Å²	50.4	17%	0.168	28%	0.277	C	S	.	.			trans	-62.2	132.4	-179.2	-67.7	172	0	0	0	111	L65 C92 S93 E94 T102 W112	L65-L97 HydrophobicContact CD2-CD2 3.63Å; C92-L97 HydrophobicContact CB-CD2 4.28Å; S93-L97 PolarHBondContact O-N 3.08Å; E94-L97 HydrophobicContact CB-CD1 4.47Å; E94-L97 WeakPolarHBondContact O-CG 3.48Å; E94-L97 PolarHBondContact O-N 3.11Å; L97-T102 HydrophobicContact CB-CG2 3.52Å; L97-T102 HydrophobicContact CD1-CG2 3.96Å; L97-T102 HydrophobicContact CG-CG2 4.35Å; L97-W112 HydrophobicContact CD1-CD2 3.74Å; L97-W112 HydrophobicContact CD1-CE3 4.34Å; L97-W112 HydrophobicContact CD1-CG 3.89Å; L97-W112 HydrophobicContact CD1-CZ2 4.22Å; L97-W112 HydrophobicContact CD2-CD2 3.82Å; L97-W112 HydrophobicContact CD2-CE3 3.52Å; L97-W112 HydrophobicContact CD2-CH2 3.95Å; L97-W112 HydrophobicContact CD2-CZ2 4.19Å; L97-W112 HydrophobicContact CD2-CZ3 3.61Å; L97-W112 HydrophobicContact CG-CD2 4.47Å
98	P	96.4	Very high	95.4	Very high	17 Å²	17	54.1 Å²	54.1	11%	0.11	30%	0.301	C	S	.	.			trans	-60.5	138.7	175.1	-20	30.2	0	0	0	112.1	L65 R66 V69 E100 I101 T102	L65-P98 HydrophobicContact CD2-CG 4.41Å; L65-P98 HydrophobicContact CG-CG 4.3Å; R66-P98 HydrophobicContact CG-CG 3.87Å; V69-P98 HydrophobicContact CG1-CB 4.44Å; V69-P98 HydrophobicContact CG2-CB 4.41Å; V69-P98 HydrophobicContact CG2-CG 4.17Å; P98-E100 VanDerWaalsContact CB-OE2 3.23Å; P98-E100 WeakPolarHBondContact CB-OE2 3.33Å; P98-E100 PolarHBondContact O-N 3.28Å; P98-I101 HydrophobicContact CB-CG2 4.22Å; P98-I101 HydrophobicContact CG-CG2 4.33Å; P98-I101 WeakPolarHBondContact O-CG2 3.34Å; P98-I101 PolarHBondContact O-N 3.48Å; P98-T102 PolarHBondContact O-N 3.06Å; P98-T102 PolarHBondContact O-OG1 2.76Å
99	A	96.8	Very high	95.4	Very high	62 Å²	62	56.2 Å²	56.2	51%	0.512	31%	0.311	S	S	.	.	H	α-helix	trans	-61.1	-32.1	177.8	0	0	0	0	0	112	I101 T102 S103	A99-I101 VanDerWaalsContact C-N 3.3Å; A99-I101 PolarHBondContact O-N 2.84Å; A99-T102 WeakPolarHBondContact CA-OG1 3.34Å; A99-T102 PolarHBondContact O-N 2.93Å; A99-T102 PolarHBondContact O-OG1 3.23Å; A99-S103 WeakPolarHBondContact O-CB 3.48Å; A99-S103 PolarHBondContact O-N 3.25Å; A99-S103 PolarHBondContact O-OG 3.05Å
100	E	96.8	Very high	95.4	Very high	111 Å²	111	57 Å²	57	52%	0.519	31%	0.314	S	S	.	.	H	α-helix	trans	-62.1	-35.1	-177.5	-60.1	89.2	154.6	0	0	112.4	V69 L74 P98 M104	V69-E100 HydrophobicContact CG1-CB 4.1Å; V69-E100 HydrophobicContact CG1-CG 4.34Å; L74-E100 HydrophobicContact CD1-CB 3.58Å; P98-E100 VanDerWaalsContact CB-OE2 3.23Å; P98-E100 WeakPolarHBondContact CB-OE2 3.33Å; P98-E100 PolarHBondContact O-N 3.28Å; E100-M104 WeakPolarHBondContact O-CG 3.32Å
101	I	97.1	Very high	95.4	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-91.7	-37.1	177.3	-170.2	161.8	0	0	0	112.2	L65 W68 L74 L87 P98 A99 S103 M104 K110 W112 L127	L65-I101 HydrophobicContact CD1-CD1 3.82Å; L65-I101 HydrophobicContact CD1-CG2 4.45Å; L65-I101 HydrophobicContact CD2-CG2 4.19Å; W68-I101 HydrophobicContact CZ3-CD1 4.26Å; L74-I101 HydrophobicContact CD1-CB 4.34Å; L74-I101 HydrophobicContact CD2-CB 4.14Å; L74-I101 HydrophobicContact CD2-CD1 4.04Å; L74-I101 HydrophobicContact CD2-CG1 4.11Å; L87-I101 HydrophobicContact CD1-CD1 3.75Å; P98-I101 HydrophobicContact CB-CG2 4.22Å; P98-I101 HydrophobicContact CG-CG2 4.33Å; P98-I101 WeakPolarHBondContact O-CG2 3.34Å; P98-I101 PolarHBondContact O-N 3.48Å; A99-I101 VanDerWaalsContact C-N 3.3Å; A99-I101 PolarHBondContact O-N 2.84Å; I101-S103 VanDerWaalsContact C-N 3.28Å; I101-S103 PolarHBondContact O-N 2.96Å; I101-M104 HydrophobicContact CG1-SD 4.07Å; I101-M104 PolarHBondContact O-N 2.94Å; I101-K110 WeakPolarHBondContact O-CD 3.28Å; I101-K110 WeakPolarHBondContact O-CE 3.5Å; I101-W112 HydrophobicContact CD1-CH2 3.85Å; I101-W112 HydrophobicContact CG1-CH2 4.06Å; I101-W112 HydrophobicContact CG1-CZ2 4.42Å; I101-W112 HydrophobicContact CG2-CH2 3.97Å; I101-W112 HydrophobicContact CG2-CZ2 4.37Å; I101-L127 HydrophobicContact CD1-CD1 4.34Å; I101-L127 HydrophobicContact CD1-CD2 3.94Å; I101-L127 HydrophobicContact CG1-CD2 3.69Å
102	T	97	Very high	95.5	Very high	51 Å²	51	57.6 Å²	57.6	31%	0.313	32%	0.315	S	S	.	.	H	α-helix	trans	-69.2	-30.5	179.9	54.9	0	0	0	0	112.2	L97 P98 A99 K110 W112	L97-T102 HydrophobicContact CB-CG2 3.52Å; L97-T102 HydrophobicContact CD1-CG2 3.96Å; L97-T102 HydrophobicContact CG-CG2 4.35Å; P98-T102 PolarHBondContact O-N 3.06Å; P98-T102 PolarHBondContact O-OG1 2.76Å; A99-T102 WeakPolarHBondContact CA-OG1 3.34Å; A99-T102 PolarHBondContact O-N 2.93Å; A99-T102 PolarHBondContact O-OG1 3.23Å; T102-K110 VanDerWaalsContact O-CE 3.25Å; T102-K110 WeakPolarHBondContact O-CE 3.41Å; T102-K110 PolarHBondContact O-NZ 3.41Å; T102-W112 HydrophobicContact CG2-CZ2 4.49Å
103	S	96	Very high	95.7	Very high	85 Å²	85	57.8 Å²	57.8	59%	0.594	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	9.6	-179	-45.8	0	0	0	0	113.8	A99 I101 P105	A99-S103 WeakPolarHBondContact O-CB 3.48Å; A99-S103 PolarHBondContact O-N 3.25Å; A99-S103 PolarHBondContact O-OG 3.05Å; I101-S103 VanDerWaalsContact C-N 3.28Å; I101-S103 PolarHBondContact O-N 2.96Å; S103-P105 WeakPolarHBondContact O-CD 3.3Å; S103-P105 VanDerWaalsContact O-N 3.15Å
104	M	96	Very high	95.9	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.01	32%	0.316	C	S	.	.			trans	-61.8	114	176.1	-71.9	-177.2	79.4	0	0	110.6	L74 V77 R78 E100 I101 E106 Y107 K110	L74-M104 HydrophobicContact CD2-CE 4.43Å; L74-M104 HydrophobicContact CD2-SD 3.68Å; V77-M104 HydrophobicContact CG1-CE 4.35Å; R78-M104 HydrophobicContact CG-CE 4.43Å; E100-M104 WeakPolarHBondContact O-CG 3.32Å; I101-M104 HydrophobicContact CG1-SD 4.07Å; I101-M104 PolarHBondContact O-N 2.94Å; M104-E106 VanDerWaalsContact C-N 3.27Å; M104-E106 PolarHBondContact O-N 3.33Å; M104-Y107 HydrophobicContact CB-CD2 4.5Å; M104-Y107 HydrophobicContact CE-CD2 3.75Å; M104-Y107 HydrophobicContact CE-CE2 3.75Å; M104-Y107 HydrophobicContact SD-CD2 4.28Å; M104-K110 WeakPolarHBondContact O-CE 3.34Å; M104-K110 PolarHBondContact O-NZ 2.85Å
105	P	96.9	Very high	96.2	Very high	108 Å²	108	52 Å²	52	70%	0.701	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-24.3	177.2	29.6	-37	0	0	0	112.6	S103 Y107	S103-P105 WeakPolarHBondContact O-CD 3.3Å; S103-P105 VanDerWaalsContact O-N 3.15Å; P105-Y107 PolarHBondContact O-N 3.45Å
106	E	97.5	Very high	95.9	Very high	76 Å²	76	48.2 Å²	48.2	36%	0.355	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-23.5	-178.8	-51.3	92.6	147.3	0	0	112.1	R78 M104 K129	R78-E106 IonicContact NE-OE1 3.66Å; R78-E106 PolarHBondContact NE-OE1 3.09Å; M104-E106 VanDerWaalsContact C-N 3.27Å; M104-E106 PolarHBondContact O-N 3.33Å; E106-K129 WeakPolarHBondContact O-CG 3.27Å
107	Y	98.4	Very high	95.3	Very high	3 Å²	3	52.3 Å²	52.3	1%	0.012	30%	0.3	C	S	.	.			trans	-125.9	80.4	178.7	-59.4	-87	0	0	0	110.3	V77 P82 L85 M104 P105 H109 K110 L127 K129	V77-Y107 HydrophobicContact CG1-CE2 3.89Å; P82-Y107 WeakPolarHBondContact CD-OH 3.49Å; P82-Y107 WeakPolarHBondContact CG-OH 3.01Å; P82-Y107 VanDerWaalsContact O-CE1 3.27Å; P82-Y107 WeakPolarHBondContact O-CE1 3.21Å; P82-Y107 PolarHBondContact O-OH 2.93Å; P82-Y107 VanDerWaalsContact O-OH 3.05Å; L85-Y107 HydrophobicContact CB-CE1 4.45Å; M104-Y107 HydrophobicContact CB-CD2 4.5Å; M104-Y107 HydrophobicContact CE-CD2 3.75Å; M104-Y107 HydrophobicContact CE-CE2 3.75Å; M104-Y107 HydrophobicContact SD-CD2 4.28Å; P105-Y107 PolarHBondContact O-N 3.45Å; Y107-H109 PolarHBondContact O-N 3.04Å; Y107-K110 WeakPolarHBondContact O-CE 3.27Å; Y107-K110 WeakPolarHBondContact O-CG 3.36Å; Y107-K110 PolarHBondContact O-NZ 3.42Å; Y107-L127 HydrophobicContact CD1-CB 4.07Å; Y107-L127 HydrophobicContact CG-CB 4.03Å; Y107-K129 HydrophobicContact CD1-CG 4.11Å; Y107-K129 HydrophobicContact CE1-CG 4.1Å
108	P	98.2	Very high	95	Very high	78 Å²	78	56.6 Å²	56.6	51%	0.506	32%	0.317	S	S	.	.			trans	-63.8	-26.3	-176	21.9	-30.3	0	0	0	113.4
109	H	98.6	Very high	94.5	Very high	43 Å²	43	63.9 Å²	63.9	20%	0.199	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	115.5	-177.7	-49.8	-76.9	0	0	0	110.1	Y107 Y111 L127 C128 T130 E131	Y107-H109 PolarHBondContact O-N 3.04Å; H109-Y111 HydrophobicContact CB-CE2 3.94Å; H109-L127 CarbonylContact O-C 3.57Å; H109-L127 WeakPolarHBondContact O-CA 3.5Å; H109-C128 HydrophobicContact CB-CB 4.22Å; H109-C128 PolarHBondContact N-O 3.12Å; H109-C128 PolarHBondContact O-N 2.83Å; H109-T130 VanDerWaalsContact CD2-C 3.5Å; H109-E131 PolarHBondContact CD2-N 3.37Å; H109-E131 VanDerWaalsContact CD2-N 3.28Å; H109-E131 VanDerWaalsContact CE1-CB 3.41Å; H109-E131 WeakPolarHBondContact CE1-CB 3.45Å; H109-E131 IonicContact CE1-OE2 3.58Å; H109-E131 PolarHBondContact NE2-N 2.97Å
110	K	98.3	Very high	94.3	Very high	47 Å²	47	62.7 Å²	62.7	20%	0.204	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	128.6	-174.3	-50.7	-176.2	-176.4	77.2	0	110.1	I101 T102 M104 Y107 L127	I101-K110 WeakPolarHBondContact O-CD 3.28Å; I101-K110 WeakPolarHBondContact O-CE 3.5Å; T102-K110 VanDerWaalsContact O-CE 3.25Å; T102-K110 WeakPolarHBondContact O-CE 3.41Å; T102-K110 PolarHBondContact O-NZ 3.41Å; M104-K110 WeakPolarHBondContact O-CE 3.34Å; M104-K110 PolarHBondContact O-NZ 2.85Å; Y107-K110 WeakPolarHBondContact O-CE 3.27Å; Y107-K110 WeakPolarHBondContact O-CG 3.36Å; Y107-K110 PolarHBondContact O-NZ 3.42Å; K110-L127 HydrophobicContact CB-CG 4.28Å; K110-L127 HydrophobicContact CD-CD2 4.05Å; K110-L127 HydrophobicContact CD-CG 4.37Å; K110-L127 HydrophobicContact CG-CD2 4.18Å; K110-L127 HydrophobicContact CG-CG 4Å
111	Y	98.4	Very high	94.1	Very high	39 Å²	39	59.9 Å²	59.9	15%	0.153	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	137.3	-176.3	-51.8	-78.8	0	0	0	109.4	H109 A125 M126 P132 V135	H109-Y111 HydrophobicContact CB-CE2 3.94Å; Y111-A125 CarbonylContact O-C 3.56Å; Y111-A125 WeakPolarHBondContact O-CA 3.46Å; Y111-M126 PolarHBondContact N-O 3.05Å; Y111-M126 PolarHBondContact O-N 2.8Å; Y111-P132 HydrophobicContact CE2-CG 3.92Å; Y111-P132 WeakPolarHBondContact OH-CD 3.41Å; Y111-V135 HydrophobicContact CD1-CB 4.04Å; Y111-V135 HydrophobicContact CD1-CG1 3.89Å; Y111-V135 HydrophobicContact CD1-CG2 3.88Å; Y111-V135 HydrophobicContact CD2-CG2 4.05Å; Y111-V135 HydrophobicContact CE1-CB 4.1Å; Y111-V135 HydrophobicContact CE1-CG1 4.44Å; Y111-V135 HydrophobicContact CE1-CG2 3.62Å; Y111-V135 HydrophobicContact CE2-CG2 3.81Å; Y111-V135 HydrophobicContact CG-CB 4.43Å; Y111-V135 HydrophobicContact CG-CG1 3.94Å; Y111-V135 HydrophobicContact CG-CG2 4.08Å
112	W	98.1	Very high	94	Very high	32 Å²	32	59.9 Å²	59.9	12%	0.121	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	137.3	-174.5	-54.2	91.4	0	0	0	109.1	L65 T90 E94 L97 I101 T102 A125 L127 Y137	L65-W112 HydrophobicContact CD2-CH2 3.9Å; L65-W112 HydrophobicContact CD2-CZ3 3.6Å; T90-W112 HydrophobicContact CG2-CZ3 4.48Å; E94-W112 HydrophobicContact CG-CB 4.47Å; L97-W112 HydrophobicContact CD1-CD2 3.74Å; L97-W112 HydrophobicContact CD1-CE3 4.34Å; L97-W112 HydrophobicContact CD1-CG 3.89Å; L97-W112 HydrophobicContact CD1-CZ2 4.22Å; L97-W112 HydrophobicContact CD2-CD2 3.82Å; L97-W112 HydrophobicContact CD2-CE3 3.52Å; L97-W112 HydrophobicContact CD2-CH2 3.95Å; L97-W112 HydrophobicContact CD2-CZ2 4.19Å; L97-W112 HydrophobicContact CD2-CZ3 3.61Å; L97-W112 HydrophobicContact CG-CD2 4.47Å; I101-W112 HydrophobicContact CD1-CH2 3.85Å; I101-W112 HydrophobicContact CG1-CH2 4.06Å; I101-W112 HydrophobicContact CG1-CZ2 4.42Å; I101-W112 HydrophobicContact CG2-CH2 3.97Å; I101-W112 HydrophobicContact CG2-CZ2 4.37Å; T102-W112 HydrophobicContact CG2-CZ2 4.49Å; W112-A125 HydrophobicContact CD2-CB 3.98Å; W112-A125 HydrophobicContact CE3-CB 3.25Å; W112-A125 HydrophobicContact CH2-CB 4.06Å; W112-A125 HydrophobicContact CZ3-CB 3.28Å; W112-L127 HydrophobicContact CH2-CD1 4.29Å; W112-L127 HydrophobicContact CZ2-CD1 4.43Å; W112-Y137 WeakPolarHBondContact O-CE1 3.4Å
113	A	96.9	Very high	94.1	Very high	12 Å²	12	57.5 Å²	57.5	10%	0.099	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	123.2	167	0	0	0	0	0	107.6	G123 V124 Y137 I151	A113-G123 CarbonylContact O-C 3.46Å; A113-G123 WeakPolarHBondContact O-CA 3.18Å; A113-V124 HydrophobicContact CB-CG2 3.81Å; A113-V124 PolarHBondContact N-O 3.25Å; A113-V124 PolarHBondContact O-N 3.08Å; A113-Y137 HydrophobicContact CB-CD1 3.95Å; A113-I151 HydrophobicContact CB-CD1 4.24Å; A113-I151 HydrophobicContact CB-CG1 3.97Å
114	A	95.4	Very high	94.2	Very high	28 Å²	28	53.4 Å²	53.4	23%	0.231	29%	0.286	C	S	.	.			trans	-116.6	162.7	178.4	0	0	0	0	0	110.2	G148	A114-G148 WeakPolarHBondContact O-CA 3.26Å
115	S	91.3	Very high	94.3	Very high	18 Å²	18	53.3 Å²	53.3	13%	0.126	29%	0.285	C	S	.	.			trans	-69	133.8	171.3	-178.8	0	0	0	0	110.5	D117 K118 K146	S115-D117 PolarHBondContact OG-N 2.7Å; S115-K118 WeakPolarHBondContact CB-O 3.42Å; S115-K118 PolarHBondContact OG-N 3.1Å; S115-K146 WeakPolarHBondContact CA-O 3.24Å; S115-K146 PolarHBondContact OG-O 2.8Å
116	N	83.5	Confident	94.4	Very high	136 Å²	136	48.2 Å²	48.2	73%	0.727	25%	0.252	S	S	*	.	S	Bend	trans	-80.2	-32.4	174.3	-66.6	-30.8	0	0	0	111.7	K146	N116-K146 PolarHBondContact N-O 3.24Å
117	D	79.5	Confident	94.5	Very high	119 Å²	119	44.6 Å²	44.6	64%	0.636	24%	0.235	S	C	*	.	S	Bend	trans	-91.3	-22.3	-170.5	-64.3	-11.9	0	0	0	113.1	S115 K146	S115-D117 PolarHBondContact OG-N 2.7Å; D117-K146 WeakPolarHBondContact OD2-CB 3.31Å; D117-K146 WeakPolarHBondContact OD2-CD 3.01Å
118	K	87.1	Confident	94.5	Very high	122 Å²	122	44.4 Å²	44.4	53%	0.53	23%	0.234	S	C	.	.	S	Bend	trans	-142.2	109.4	-172.8	-168.7	174.1	174.7	-175.8	0	112.2	S115 Y121	S115-K118 WeakPolarHBondContact CB-O 3.42Å; S115-K118 PolarHBondContact OG-N 3.1Å; K118-Y121 HydrophobicContact CB-CD1 4.04Å; K118-Y121 HydrophobicContact CB-CG 4.3Å; K118-Y121 HydrophobicContact CD-CD1 3.98Å; K118-Y121 HydrophobicContact CD-CD2 4.16Å; K118-Y121 HydrophobicContact CD-CG 3.69Å; K118-Y121 HydrophobicContact CG-CD1 4.35Å; K118-Y121 HydrophobicContact CG-CG 4.13Å
119	E	87.8	Confident	94.5	Very high	169 Å²	169	44.1 Å²	44.1	79%	0.79	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	141.6	174.3	-169.8	172.4	-164.5	0	0	111.4	Y121	E119-Y121 VanDerWaalsContact C-N 3.28Å; E119-Y121 PolarHBondContact O-N 2.75Å
120	G	90.6	Very high	94.5	Very high	38 Å²	38	46.8 Å²	46.8	39%	0.392	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	20.8	177.4	0	0	0	0	0	114.6	K91	K91-G120 WeakPolarHBondContact CB-O 3.47Å; K91-G120 WeakPolarHBondContact CG-O 3.39Å
121	Y	93.7	Very high	94.5	Very high	51 Å²	51	50.6 Å²	50.6	20%	0.2	26%	0.263	C	S	.	.	S	Bend	trans	-129.3	144.3	-177	170	-102	0	0	0	111.7	K118 E119 E147 R149 R174	K118-Y121 HydrophobicContact CB-CD1 4.04Å; K118-Y121 HydrophobicContact CB-CG 4.3Å; K118-Y121 HydrophobicContact CD-CD1 3.98Å; K118-Y121 HydrophobicContact CD-CD2 4.16Å; K118-Y121 HydrophobicContact CD-CG 3.69Å; K118-Y121 HydrophobicContact CG-CD1 4.35Å; K118-Y121 HydrophobicContact CG-CG 4.13Å; E119-Y121 VanDerWaalsContact C-N 3.28Å; E119-Y121 PolarHBondContact O-N 2.75Å; Y121-E147 HydrophobicContact CE1-CB 4.3Å; Y121-E147 HydrophobicContact CE1-CG 4.06Å; Y121-E147 VanDerWaalsContact CE1-OE1 3.25Å; Y121-E147 WeakPolarHBondContact CE1-OE1 3.31Å; Y121-E147 PolarHBondContact OH-OE1 3.37Å; Y121-R149 PolarHBondContact OH-NH2 2.8Å; Y121-R174 PolarHBondContact OH-NH1 3.46Å
122	S	95.6	Very high	94.5	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.007	26%	0.258	C	S	.	.			trans	54.4	-139.7	178	-172.6	0	0	0	0	111.2	E89 T90 K91 E147 Y164	E89-S122 CarbonylContact C-O 3.29Å; T90-S122 PolarHBondContact N-O 2.75Å; K91-S122 WeakPolarHBondContact CA-O 3.34Å; K91-S122 PolarHBondContact N-O 3.15Å; S122-E147 WeakPolarHBondContact CB-O 3.36Å; S122-E147 PolarHBondContact OG-O 3.18Å; S122-Y164 WeakPolarHBondContact OG-CD1 3.31Å
123	G	98.1	Very high	94.6	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.281	C	S	.	.			trans	92	138.6	177.1	0	0	0	0	0	112.3	Q88 E89 T90 A113 G148	Q88-G123 CarbonylContact C-O 3.47Å; E89-G123 WeakPolarHBondContact CA-O 3.34Å; E89-G123 PolarHBondContact N-O 2.93Å; T90-G123 PolarHBondContact N-O 3.2Å; T90-G123 WeakPolarHBondContact OG1-CA 3.37Å; A113-G123 CarbonylContact O-C 3.46Å; A113-G123 WeakPolarHBondContact O-CA 3.18Å; G123-G148 CarbonylContact C-O 3.58Å; G123-G148 VanDerWaalsContact CA-O 3.27Å; G123-G148 WeakPolarHBondContact CA-O 3.08Å; G123-G148 PolarHBondContact N-O 3.27Å
124	V	98.8	Very high	94.6	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	158.3	176.1	-63.2	0	0	0	0	110.5	L87 Q88 A113 G148 R149 I151	L87-V124 CarbonylContact O-C 3.39Å; L87-V124 WeakPolarHBondContact O-CA 3.5Å; L87-V124 WeakPolarHBondContact O-CB 3.49Å; Q88-V124 HydrophobicContact CB-CG1 4.47Å; Q88-V124 HydrophobicContact CG-CG1 4.23Å; A113-V124 HydrophobicContact CB-CG2 3.81Å; A113-V124 PolarHBondContact N-O 3.25Å; A113-V124 PolarHBondContact O-N 3.08Å; V124-G148 PolarHBondContact N-O 3.26Å; V124-R149 WeakPolarHBondContact CG1-O 3.42Å; V124-I151 HydrophobicContact CB-CD1 4.48Å; V124-I151 HydrophobicContact CG2-CD1 3.76Å; V124-I151 HydrophobicContact CG2-CG1 3.71Å
125	A	98.8	Very high	94.8	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	153.8	174.4	0	0	0	0	0	111.3	C86 L87 T90 Y111 W112 L127	C86-A125 WeakPolarHBondContact CA-O 3.31Å; L87-A125 HydrophobicContact CB-CB 4.16Å; L87-A125 PolarHBondContact N-O 2.92Å; L87-A125 PolarHBondContact O-N 2.93Å; T90-A125 HydrophobicContact CG2-CB 4.18Å; Y111-A125 CarbonylContact O-C 3.56Å; Y111-A125 WeakPolarHBondContact O-CA 3.46Å; W112-A125 HydrophobicContact CD2-CB 3.98Å; W112-A125 HydrophobicContact CE3-CB 3.25Å; W112-A125 HydrophobicContact CH2-CB 4.06Å; W112-A125 HydrophobicContact CZ3-CB 3.28Å; A125-L127 HydrophobicContact CB-CD1 4.06Å
126	M	98.8	Very high	95.2	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	124.1	170.7	-168.1	-178.1	-65	0	0	109.4	V84 L85 Y111 I151 A153 L160 T162	V84-M126 HydrophobicContact CG1-CG 3.7Å; V84-M126 HydrophobicContact CG1-SD 4.13Å; L85-M126 CarbonylContact O-C 3.58Å; L85-M126 WeakPolarHBondContact O-CA 3.45Å; Y111-M126 PolarHBondContact N-O 3.05Å; Y111-M126 PolarHBondContact O-N 2.8Å; M126-I151 HydrophobicContact CB-CD1 4.36Å; M126-I151 HydrophobicContact CB-CG2 4.16Å; M126-I151 HydrophobicContact CE-CB 4.36Å; M126-I151 HydrophobicContact CE-CG2 3.88Å; M126-I151 HydrophobicContact SD-CG2 4.46Å; M126-A153 HydrophobicContact CE-CB 3.98Å; M126-A153 HydrophobicContact SD-CB 3.34Å; M126-A153 WeakPolarHBondContact SD-CB 3.25Å; M126-L160 HydrophobicContact CE-CB 4.43Å; M126-L160 HydrophobicContact CE-CD2 4.02Å; M126-L160 HydrophobicContact CE-CG 3.88Å; M126-L160 HydrophobicContact SD-CD2 3.96Å; M126-L160 HydrophobicContact SD-CG 4.38Å; M126-T162 HydrophobicContact CB-CG2 4.49Å; M126-T162 HydrophobicContact CE-CG2 3.64Å
127	L	98.8	Very high	95.9	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	123	179	-71.8	81.1	0	0	0	108.3	V84 L85 L87 I101 Y107 H109 K110 W112 A125	V84-L127 CarbonylContact C-O 3.58Å; V84-L127 WeakPolarHBondContact CA-O 3.43Å; L85-L127 HydrophobicContact CB-CB 4.27Å; L85-L127 PolarHBondContact N-O 2.81Å; L85-L127 PolarHBondContact O-N 2.86Å; L87-L127 HydrophobicContact CD1-CD1 4.39Å; I101-L127 HydrophobicContact CD1-CD1 4.34Å; I101-L127 HydrophobicContact CD1-CD2 3.94Å; I101-L127 HydrophobicContact CG1-CD2 3.69Å; Y107-L127 HydrophobicContact CD1-CB 4.07Å; Y107-L127 HydrophobicContact CG-CB 4.03Å; H109-L127 CarbonylContact O-C 3.57Å; H109-L127 WeakPolarHBondContact O-CA 3.5Å; K110-L127 HydrophobicContact CB-CG 4.28Å; K110-L127 HydrophobicContact CD-CD2 4.05Å; K110-L127 HydrophobicContact CD-CG 4.37Å; K110-L127 HydrophobicContact CG-CD2 4.18Å; K110-L127 HydrophobicContact CG-CG 4Å; W112-L127 HydrophobicContact CH2-CD1 4.29Å; W112-L127 HydrophobicContact CZ2-CD1 4.43Å; A125-L127 HydrophobicContact CB-CD1 4.06Å
128	C	98.8	Very high	96.8	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	140.2	-173.1	-50	0	0	0	0	110.8	V84 H109 T130	V84-C128 HydrophobicContact CG2-CB 4.44Å; H109-C128 HydrophobicContact CB-CB 4.22Å; H109-C128 PolarHBondContact N-O 3.12Å; H109-C128 PolarHBondContact O-N 2.83Å; C128-T130 WeakPolarHBondContact CB-O 3.13Å
129	K	98.7	Very high	97.3	Very high	72 Å²	72	48.6 Å²	48.6	31%	0.313	25%	0.247	S	C	.	.	S	Bend	trans	-70.7	-36.5	167.4	-66.3	-171.2	-171.6	145.2	0	112.1	A81 P82 D83 E106 Y107	A81-K129 PolarHBondContact O-NZ 3.43Å; P82-K129 WeakPolarHBondContact O-CE 3.15Å; P82-K129 PolarHBondContact O-NZ 2.89Å; P82-K129 VanDerWaalsContact O-NZ 3.14Å; D83-K129 PolarHBondContact O-N 3.47Å; D83-K129 IonicContact OD1-NZ 2.74Å; D83-K129 PolarHBondContact OD1-NZ 2.76Å; E106-K129 WeakPolarHBondContact O-CG 3.27Å; Y107-K129 HydrophobicContact CD1-CG 4.11Å; Y107-K129 HydrophobicContact CE1-CG 4.1Å
130	T	98	Very high	97.8	Very high	99 Å²	99	44 Å²	44	61%	0.607	25%	0.245	S	C	*	.	S	Bend	trans	-111.9	140.1	179.4	-54.9	0	0	0	0	110.2	H109 C128 P132	H109-T130 VanDerWaalsContact CD2-C 3.5Å; C128-T130 WeakPolarHBondContact CB-O 3.13Å; T130-P132 WeakPolarHBondContact O-CD 3.25Å
131	E	98.5	Very high	98.1	Very high	126 Å²	126	46.3 Å²	46.3	59%	0.589	24%	0.244	S	C	*	.			trans	-64.7	124.8	178.5	-160.4	164.7	-165.6	0	0	111.4	H109	H109-E131 PolarHBondContact CD2-N 3.37Å; H109-E131 VanDerWaalsContact CD2-N 3.28Å; H109-E131 VanDerWaalsContact CE1-CB 3.41Å; H109-E131 WeakPolarHBondContact CE1-CB 3.45Å; H109-E131 IonicContact CE1-OE2 3.58Å; H109-E131 PolarHBondContact NE2-N 2.97Å
132	P	98.6	Very high	98.2	Very high	8 Å²	8	50.9 Å²	50.9	5%	0.052	27%	0.267	C	S	.	.			trans	-63.6	148.7	165.8	-19	32.5	0	0	0	111.4	Y111 T130 K134 V135 A153 E154 F155	Y111-P132 HydrophobicContact CE2-CG 3.92Å; Y111-P132 WeakPolarHBondContact OH-CD 3.41Å; T130-P132 WeakPolarHBondContact O-CD 3.25Å; P132-K134 PolarHBondContact O-N 3.27Å; P132-V135 HydrophobicContact CB-CG2 3.87Å; P132-V135 HydrophobicContact CG-CG2 3.89Å; P132-A153 HydrophobicContact CB-CB 3.92Å; P132-A153 HydrophobicContact CG-CB 3.87Å; P132-E154 CarbonylContact C-O 3.6Å; P132-E154 WeakPolarHBondContact CA-O 3.31Å; P132-E154 WeakPolarHBondContact CB-O 3.5Å; P132-F155 HydrophobicContact CB-CE1 4.4Å; P132-F155 HydrophobicContact CB-CZ 4.4Å; P132-F155 HydrophobicContact CG-CE1 4.13Å; P132-F155 HydrophobicContact CG-CZ 3.92Å
133	L	98.7	Very high	98.1	Very high	113 Å²	113	56.3 Å²	56.3	59%	0.592	29%	0.293	S	S	*	.	S	Bend	trans	-61.1	-34.3	173.8	-59.6	179.7	0	0	0	112.1	E154 P156	L133-E154 HydrophobicContact CB-CB 4.41Å; L133-E154 HydrophobicContact CB-CG 4.34Å; L133-E154 WeakPolarHBondContact CB-O 3.43Å; L133-E154 HydrophobicContact CD1-CG 4.43Å; L133-E154 PolarHBondContact N-O 2.93Å; L133-P156 HydrophobicContact CD1-CG 4.34Å
134	K	98.8	Very high	98.1	Very high	125 Å²	125	56.4 Å²	56.4	54%	0.543	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	144.7	179.4	-171.9	178.9	179.3	-173.5	0	109.7	P132 T136 A153 E154	P132-K134 PolarHBondContact O-N 3.27Å; K134-T136 HydrophobicContact CD-CG2 4.32Å; K134-T136 HydrophobicContact CG-CG2 4.33Å; K134-A153 CarbonylContact O-C 3.59Å; K134-A153 WeakPolarHBondContact O-CA 3.41Å; K134-E154 HydrophobicContact CB-CB 4.05Å; K134-E154 PolarHBondContact O-N 3.05Å
135	V	98.9	Very high	98	Very high	30 Å²	30	58.6 Å²	58.6	18%	0.182	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	132.6	169.8	-178.8	0	0	0	0	109.4	Y111 P132 Y137 I151 T152 A153	Y111-V135 HydrophobicContact CD1-CB 4.04Å; Y111-V135 HydrophobicContact CD1-CG1 3.89Å; Y111-V135 HydrophobicContact CD1-CG2 3.88Å; Y111-V135 HydrophobicContact CD2-CG2 4.05Å; Y111-V135 HydrophobicContact CE1-CB 4.1Å; Y111-V135 HydrophobicContact CE1-CG1 4.44Å; Y111-V135 HydrophobicContact CE1-CG2 3.62Å; Y111-V135 HydrophobicContact CE2-CG2 3.81Å; Y111-V135 HydrophobicContact CG-CB 4.43Å; Y111-V135 HydrophobicContact CG-CG1 3.94Å; Y111-V135 HydrophobicContact CG-CG2 4.08Å; P132-V135 HydrophobicContact CB-CG2 3.87Å; P132-V135 HydrophobicContact CG-CG2 3.89Å; V135-Y137 HydrophobicContact CG1-CE1 4.25Å; V135-I151 HydrophobicContact CG1-CG2 3.74Å; V135-T152 CarbonylContact C-O 3.53Å; V135-T152 WeakPolarHBondContact CA-O 3.08Å; V135-A153 HydrophobicContact CG2-CB 4.25Å
136	T	98.8	Very high	97.8	Very high	47 Å²	47	62 Å²	62	29%	0.288	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	154.5	175.3	58.2	0	0	0	0	110.8	K134 T152	K134-T136 HydrophobicContact CD-CG2 4.32Å; K134-T136 HydrophobicContact CG-CG2 4.33Å; T136-T152 PolarHBondContact N-O 2.81Å; T136-T152 PolarHBondContact O-N 2.87Å; T136-T152 WeakPolarHBondContact OG1-CB 3.09Å
137	Y	98.5	Very high	97.6	Very high	119 Å²	119	63.3 Å²	63.3	47%	0.467	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	138.4	-176.6	-55	-78.6	0	0	0	110	W112 A113 V135 I151	W112-Y137 WeakPolarHBondContact O-CE1 3.4Å; A113-Y137 HydrophobicContact CB-CD1 3.95Å; V135-Y137 HydrophobicContact CG1-CE1 4.25Å; Y137-I151 HydrophobicContact CD1-CG1 3.81Å; Y137-I151 HydrophobicContact CE1-CD1 4.37Å; Y137-I151 HydrophobicContact CE1-CG1 3.97Å
138	G	98.4	Very high	97.6	Very high	10 Å²	10	63.7 Å²	63.7	10%	0.103	33%	0.329	C	S	.	.	S	Bend	trans	74.1	-171.2	-176.8	0	0	0	0	0	113.7	D145 V150	G138-D145 WeakPolarHBondContact CA-OD1 3.4Å; G138-V150 PolarHBondContact N-O 2.92Å
139	I	98.6	Very high	97.5	Very high	13 Å²	13	64 Å²	64	7%	0.067	33%	0.33	C	S	.	.			trans	-118.8	7.9	-175.4	68.5	171.7	0	0	0	112.6	K141 H144 D145 V150 D184 F185 Y188	I139-K141 HydrophobicContact CG1-CB 4.12Å; I139-K141 HydrophobicContact CG1-CG 4.32Å; I139-H144 HydrophobicContact CD1-CB 3.83Å; I139-H144 HydrophobicContact CG1-CB 3.99Å; I139-D145 PolarHBondContact N-OD1 2.9Å; I139-D145 PolarHBondContact N-OD2 3.32Å; I139-V150 HydrophobicContact CG2-CB 4.17Å; I139-V150 HydrophobicContact CG2-CG1 4.12Å; I139-V150 HydrophobicContact CG2-CG2 3.88Å; I139-D184 HydrophobicContact CD1-CB 4.26Å; I139-F185 HydrophobicContact CG2-CD2 3.87Å; I139-F185 HydrophobicContact CG2-CE2 4.23Å; I139-Y188 HydrophobicContact CB-CD1 4.09Å; I139-Y188 HydrophobicContact CB-CD2 4.01Å; I139-Y188 HydrophobicContact CB-CE2 4.48Å; I139-Y188 HydrophobicContact CB-CG 3.78Å; I139-Y188 HydrophobicContact CG2-CD1 3.74Å; I139-Y188 HydrophobicContact CG2-CE1 4.04Å; I139-Y188 HydrophobicContact CG2-CG 3.98Å
140	G	97.8	Very high	97.6	Very high	72 Å²	72	60.6 Å²	60.6	74%	0.742	32%	0.316	S	S	*	.	S	Bend	trans	83.6	21.1	178.8	0	0	0	0	0	113.6	D145	G140-D145 WeakPolarHBondContact CA-OD2 3.34Å; G140-D145 PolarHBondContact N-OD2 3.05Å
141	K	97.2	Very high	97.6	Very high	87 Å²	87	55.9 Å²	55.9	38%	0.378	29%	0.287	S	S	.	.			trans	-129.6	111	-178	-68.4	-70.5	-171.7	110.4	0	108.8	I139 E143 H144 D145 D184	I139-K141 HydrophobicContact CG1-CB 4.12Å; I139-K141 HydrophobicContact CG1-CG 4.32Å; K141-E143 PolarHBondContact O-N 2.98Å; K141-E143 VanDerWaalsContact O-N 3.1Å; K141-H144 HydrophobicContact CB-CB 4.1Å; K141-H144 WeakPolarHBondContact O-CA 3.46Å; K141-H144 PolarHBondContact O-N 3.28Å; K141-D145 PolarHBondContact N-OD2 3.25Å; K141-D145 WeakPolarHBondContact O-CB 3.31Å; K141-D145 PolarHBondContact O-N 2.85Å; K141-D184 IonicContact NZ-OD1 3.04Å; K141-D184 IonicContact NZ-OD2 2.78Å; K141-D184 PolarHBondContact NZ-OD2 3.16Å
142	E	94.8	Very high	97.6	Very high	146 Å²	146	50 Å²	50	68%	0.682	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-35.9	-173.5	-160.6	-157.3	133.9	0	0	112.9	H144 D145 K146	E142-H144 PolarHBondContact O-N 3.25Å; E142-D145 PolarHBondContact O-N 3.08Å; E142-K146 VanDerWaalsContact O-CE 3.3Å; E142-K146 WeakPolarHBondContact O-CE 3.21Å; E142-K146 WeakPolarHBondContact O-CG 3.38Å; E142-K146 WeakPolarHBondContact OE1-CE 3.46Å; E142-K146 IonicContact OE1-NZ 3.86Å; E142-K146 PolarHBondContact OE1-NZ 3.29Å
143	E	94.2	Very high	97.6	Very high	116 Å²	116	49.6 Å²	49.6	54%	0.542	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-17.8	177.6	67.8	-171.5	145.6	0	0	114.6	K141 Y177	K141-E143 PolarHBondContact O-N 2.98Å; K141-E143 VanDerWaalsContact O-N 3.1Å; E143-Y177 PolarHBondContact O-OH 3.36Å; E143-Y177 VanDerWaalsContact O-OH 3.05Å
144	H	96.9	Very high	97.6	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-24.3	-179.7	-66.2	-37.8	0	0	0	112.2	I139 K141 E142 K146 Y177 W181 D184	I139-H144 HydrophobicContact CD1-CB 3.83Å; I139-H144 HydrophobicContact CG1-CB 3.99Å; K141-H144 HydrophobicContact CB-CB 4.1Å; K141-H144 WeakPolarHBondContact O-CA 3.46Å; K141-H144 PolarHBondContact O-N 3.28Å; E142-H144 PolarHBondContact O-N 3.25Å; H144-K146 PolarHBondContact O-N 2.9Å; H144-Y177 AromaticContact CE1-CE2 3.77Å; H144-Y177 AromaticContact ND1-CE2 3.57Å; H144-Y177 AromaticContact ND1-CZ 3.59Å; H144-Y177 PolarHBondContact ND1-OH 3.03Å; H144-W181 HydrophobicContact CB-CE3 3.78Å; H144-W181 HydrophobicContact CB-CZ3 3.58Å; H144-W181 AromaticContact CG-CE3 3.74Å; H144-W181 AromaticContact ND1-CE3 3.53Å; H144-D184 IonicContact CD2-OD2 3.68Å; H144-D184 IonicContact NE2-OD2 3.87Å
145	D	96.9	Very high	97.6	Very high	47 Å²	47	40.7 Å²	40.7	25%	0.251	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-93.2	4.1	-168	-65.5	-19.4	0	0	0	114.8	G138 I139 G140 K141 E142	G138-D145 WeakPolarHBondContact CA-OD1 3.4Å; I139-D145 PolarHBondContact N-OD1 2.9Å; I139-D145 PolarHBondContact N-OD2 3.32Å; G140-D145 WeakPolarHBondContact CA-OD2 3.34Å; G140-D145 PolarHBondContact N-OD2 3.05Å; K141-D145 PolarHBondContact N-OD2 3.25Å; K141-D145 WeakPolarHBondContact O-CB 3.31Å; K141-D145 PolarHBondContact O-N 2.85Å; E142-D145 PolarHBondContact O-N 3.08Å
146	K	94.9	Very high	97.6	Very high	71 Å²	71	43.4 Å²	43.4	31%	0.309	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-83	-17.8	179.1	-65.4	176.4	-171.1	-173.2	0	114.6	S115 N116 D117 E142 H144	S115-K146 WeakPolarHBondContact CA-O 3.24Å; S115-K146 PolarHBondContact OG-O 2.8Å; N116-K146 PolarHBondContact N-O 3.24Å; D117-K146 WeakPolarHBondContact OD2-CB 3.31Å; D117-K146 WeakPolarHBondContact OD2-CD 3.01Å; E142-K146 VanDerWaalsContact O-CE 3.3Å; E142-K146 WeakPolarHBondContact O-CE 3.21Å; E142-K146 WeakPolarHBondContact O-CG 3.38Å; E142-K146 WeakPolarHBondContact OE1-CE 3.46Å; E142-K146 IonicContact OE1-NZ 3.86Å; E142-K146 PolarHBondContact OE1-NZ 3.29Å; H144-K146 PolarHBondContact O-N 2.9Å
147	E	96.1	Very high	97.5	Very high	28 Å²	28	45.4 Å²	45.4	13%	0.131	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-99	3.5	-172.6	-63.6	-167.6	127.7	0	0	113.6	Y121 S122 R149 R174	Y121-E147 HydrophobicContact CE1-CB 4.3Å; Y121-E147 HydrophobicContact CE1-CG 4.06Å; Y121-E147 VanDerWaalsContact CE1-OE1 3.25Å; Y121-E147 WeakPolarHBondContact CE1-OE1 3.31Å; Y121-E147 PolarHBondContact OH-OE1 3.37Å; S122-E147 WeakPolarHBondContact CB-O 3.36Å; S122-E147 PolarHBondContact OG-O 3.18Å; E147-R149 HydrophobicContact CB-CG 3.87Å; E147-R149 IonicContact OE1-NH2 2.75Å; E147-R149 IonicContact OE2-CZ 2.8Å; E147-R149 IonicContact OE2-NE 2.7Å; E147-R149 PolarHBondContact OE2-NE 3.41Å; E147-R149 IonicContact OE2-NH2 3.1Å; E147-R149 PolarHBondContact OE2-NH2 2.79Å; E147-R174 VanDerWaalsContact CD-NH2 3.34Å; E147-R174 IonicContact OE1-CZ 3.76Å; E147-R174 IonicContact OE1-NH1 3.63Å; E147-R174 PolarHBondContact OE1-NH1 3.18Å; E147-R174 IonicContact OE1-NH2 2.79Å; E147-R174 PolarHBondContact OE1-NH2 3.36Å; E147-R174 IonicContact OE2-CZ 3.37Å; E147-R174 IonicContact OE2-NH1 3.91Å; E147-R174 IonicContact OE2-NH2 3.51Å; E147-R174 PolarHBondContact OE2-NH2 3.32Å
148	G	96.9	Very high	97.5	Very high	7 Å²	7	39.9 Å²	39.9	7%	0.072	22%	0.22	C	C	.	.			trans	58.3	52.5	177	0	0	0	0	0	112.8	A114 G123 V124	A114-G148 WeakPolarHBondContact O-CA 3.26Å; G123-G148 CarbonylContact C-O 3.58Å; G123-G148 VanDerWaalsContact CA-O 3.27Å; G123-G148 WeakPolarHBondContact CA-O 3.08Å; G123-G148 PolarHBondContact N-O 3.27Å; V124-G148 PolarHBondContact N-O 3.26Å
149	R	98.5	Very high	97.5	Very high	6 Å²	6	40.2 Å²	40.2	2%	0.023	22%	0.218	C	C	.	.			trans	-102.2	-19.6	-168.8	-72.2	-174.3	176.9	-69.2	-6.4	115.4	Y121 V124 E147 A163 Y164 W181	Y121-R149 PolarHBondContact OH-NH2 2.8Å; V124-R149 WeakPolarHBondContact CG1-O 3.42Å; E147-R149 HydrophobicContact CB-CG 3.87Å; E147-R149 IonicContact OE1-NH2 2.75Å; E147-R149 IonicContact OE2-CZ 2.8Å; E147-R149 IonicContact OE2-NE 2.7Å; E147-R149 PolarHBondContact OE2-NE 3.41Å; E147-R149 IonicContact OE2-NH2 3.1Å; E147-R149 PolarHBondContact OE2-NH2 2.79Å; R149-A163 CarbonylContact O-C 3.47Å; R149-A163 VanDerWaalsContact O-CA 3.26Å; R149-A163 WeakPolarHBondContact O-CA 3.42Å; R149-Y164 WeakPolarHBondContact CB-O 3.36Å; R149-Y164 VanDerWaalsContact CD-O 3.26Å; R149-Y164 WeakPolarHBondContact CD-O 3.41Å; R149-Y164 VanDerWaalsContact CG-O 3.3Å; R149-Y164 WeakPolarHBondContact CG-O 3.17Å; R149-Y164 PolarHBondContact NH1-O 3.28Å; R149-Y164 PolarHBondContact O-N 3.32Å; R149-W181 HydrophobicContact CB-CH2 3.6Å; R149-W181 HydrophobicContact CB-CZ2 4.26Å; R149-W181 HydrophobicContact CB-CZ3 4.31Å; R149-W181 HydrophobicContact CG-CH2 4.27Å
150	V	98.9	Very high	97.5	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	131.4	-170.2	-179.4	0	0	0	0	110.5	G138 I139 V161 T162 A163 W181 F185 Y188	G138-V150 PolarHBondContact N-O 2.92Å; I139-V150 HydrophobicContact CG2-CB 4.17Å; I139-V150 HydrophobicContact CG2-CG1 4.12Å; I139-V150 HydrophobicContact CG2-CG2 3.88Å; V150-V161 HydrophobicContact CG1-CG1 3.8Å; V150-T162 WeakPolarHBondContact CA-O 3.1Å; V150-A163 HydrophobicContact CG2-CB 4.26Å; V150-W181 HydrophobicContact CG2-CH2 3.88Å; V150-W181 HydrophobicContact CG2-CZ2 3.95Å; V150-F185 HydrophobicContact CG2-CE2 4.07Å; V150-Y188 HydrophobicContact CG1-CE1 4.49Å
151	I	98.9	Very high	97.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	132.1	162.4	-66.4	164.8	0	0	0	107.1	A113 V124 M126 V135 Y137 V161 T162	A113-I151 HydrophobicContact CB-CD1 4.24Å; A113-I151 HydrophobicContact CB-CG1 3.97Å; V124-I151 HydrophobicContact CB-CD1 4.48Å; V124-I151 HydrophobicContact CG2-CD1 3.76Å; V124-I151 HydrophobicContact CG2-CG1 3.71Å; M126-I151 HydrophobicContact CB-CD1 4.36Å; M126-I151 HydrophobicContact CB-CG2 4.16Å; M126-I151 HydrophobicContact CE-CB 4.36Å; M126-I151 HydrophobicContact CE-CG2 3.88Å; M126-I151 HydrophobicContact SD-CG2 4.46Å; V135-I151 HydrophobicContact CG1-CG2 3.74Å; Y137-I151 HydrophobicContact CD1-CG1 3.81Å; Y137-I151 HydrophobicContact CE1-CD1 4.37Å; Y137-I151 HydrophobicContact CE1-CG1 3.97Å; I151-V161 WeakPolarHBondContact O-CA 3.44Å; I151-T162 HydrophobicContact CB-CG2 3.8Å; I151-T162 PolarHBondContact N-O 2.81Å; I151-T162 VanDerWaalsContact N-O 3.13Å; I151-T162 PolarHBondContact O-N 3.18Å
152	T	98.9	Very high	97.7	Very high	3 Å²	3	32 Å²	32	2%	0.018	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	122.1	172.2	-61.9	0	0	0	0	108.8	V135 T136 Y159 L160 V161 Y188 L192	V135-T152 CarbonylContact C-O 3.53Å; V135-T152 WeakPolarHBondContact CA-O 3.08Å; T136-T152 PolarHBondContact N-O 2.81Å; T136-T152 PolarHBondContact O-N 2.87Å; T136-T152 WeakPolarHBondContact OG1-CB 3.09Å; T152-Y159 HydrophobicContact CG2-CD1 4.06Å; T152-L160 CarbonylContact C-O 3.56Å; T152-L160 WeakPolarHBondContact CA-O 3.4Å; T152-V161 HydrophobicContact CG2-CG2 3.99Å; T152-Y188 WeakPolarHBondContact CB-OH 3.14Å; T152-Y188 PolarHBondContact OG1-OH 2.93Å; T152-L192 HydrophobicContact CG2-CD1 3.95Å
153	A	98.9	Very high	97.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	126.9	174.6	0	0	0	0	0	109.9	M126 P132 K134 V135 F155 Y159 L160	M126-A153 HydrophobicContact CE-CB 3.98Å; M126-A153 HydrophobicContact SD-CB 3.34Å; M126-A153 WeakPolarHBondContact SD-CB 3.25Å; P132-A153 HydrophobicContact CB-CB 3.92Å; P132-A153 HydrophobicContact CG-CB 3.87Å; K134-A153 CarbonylContact O-C 3.59Å; K134-A153 WeakPolarHBondContact O-CA 3.41Å; V135-A153 HydrophobicContact CG2-CB 4.25Å; A153-F155 HydrophobicContact CB-CE2 3.97Å; A153-Y159 CarbonylContact O-C 3.52Å; A153-Y159 WeakPolarHBondContact O-CA 3.46Å; A153-L160 PolarHBondContact N-O 2.83Å; A153-L160 PolarHBondContact O-N 2.84Å
154	E	98.8	Very high	98.1	Very high	41 Å²	41	20.5 Å²	20.5	19%	0.192	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	118.9	174.8	-172.7	173.1	170.5	0	0	110.2	P132 L133 K134 Y159 K196	P132-E154 CarbonylContact C-O 3.6Å; P132-E154 WeakPolarHBondContact CA-O 3.31Å; P132-E154 WeakPolarHBondContact CB-O 3.5Å; L133-E154 HydrophobicContact CB-CB 4.41Å; L133-E154 HydrophobicContact CB-CG 4.34Å; L133-E154 WeakPolarHBondContact CB-O 3.43Å; L133-E154 HydrophobicContact CD1-CG 4.43Å; L133-E154 PolarHBondContact N-O 2.93Å; K134-E154 HydrophobicContact CB-CB 4.05Å; K134-E154 PolarHBondContact O-N 3.05Å; E154-Y159 HydrophobicContact CB-CD1 3.71Å; E154-Y159 HydrophobicContact CB-CE1 3.51Å; E154-Y159 HydrophobicContact CG-CD1 3.82Å; E154-Y159 HydrophobicContact CG-CE1 3.35Å; E154-K196 VanDerWaalsContact CG-NZ 3.35Å; E154-K196 WeakPolarHBondContact OE1-CE 3.28Å; E154-K196 IonicContact OE1-NZ 3.23Å; E154-K196 PolarHBondContact OE1-NZ 2.8Å
155	F	98.6	Very high	98.2	Very high	10 Å²	10	20.6 Å²	20.6	4%	0.044	11%	0.108	C	C	.	.			trans	-101.6	169.1	167.2	-68.7	-83.3	0	0	0	109.8	V84 P132 A153 N157 F158 L160 K196	V84-F155 HydrophobicContact CG2-CE2 4.39Å; V84-F155 HydrophobicContact CG2-CZ 3.84Å; P132-F155 HydrophobicContact CB-CE1 4.4Å; P132-F155 HydrophobicContact CB-CZ 4.4Å; P132-F155 HydrophobicContact CG-CE1 4.13Å; P132-F155 HydrophobicContact CG-CZ 3.92Å; A153-F155 HydrophobicContact CB-CE2 3.97Å; F155-N157 VanDerWaalsContact C-N 3.3Å; F155-N157 PolarHBondContact O-N 3.48Å; F155-F158 CarbonylContact C-O 3.51Å; F155-F158 WeakPolarHBondContact CA-O 3.29Å; F155-F158 HydrophobicContact CB-CD1 4.08Å; F155-F158 HydrophobicContact CB-CE1 3.87Å; F155-F158 HydrophobicContact CB-CZ 4.4Å; F155-F158 WeakPolarHBondContact CB-O 3.39Å; F155-F158 HydrophobicContact CD2-CE1 4.21Å; F155-F158 HydrophobicContact CD2-CE2 4.27Å; F155-F158 AromaticContact CD2-CZ 3.87Å; F155-F158 HydrophobicContact CD2-CZ 3.87Å; F155-F158 HydrophobicContact CE2-CZ 4.48Å; F155-F158 HydrophobicContact CG-CE1 4.16Å; F155-F158 HydrophobicContact CG-CZ 4.26Å; F155-F158 PolarHBondContact N-O 2.8Å; F155-L160 HydrophobicContact CD2-CB 4.22Å; F155-L160 HydrophobicContact CE2-CB 3.96Å; F155-L160 HydrophobicContact CE2-CD2 4.24Å; F155-K196 PolarHBondContact O-NZ 2.98Å
156	P	97.4	Very high	98.3	Very high	87 Å²	87	18.3 Å²	18.3	57%	0.565	10%	0.096	S	C	*	.	S	Bend	trans	-51.7	-46.6	179.8	-30.6	37.2	0	0	0	113.7	L133 K196	L133-P156 HydrophobicContact CD1-CG 4.34Å; P156-K196 PolarHBondContact O-NZ 2.88Å
157	N	97.1	Very high	98.4	Very high	89 Å²	89	17.5 Å²	17.5	48%	0.476	9%	0.094	S	C	.	.	S	Bend	trans	-100.9	-17.1	-171.2	-60.5	-14.8	0	0	0	114.4	F155 P197 V310	F155-N157 VanDerWaalsContact C-N 3.3Å; F155-N157 PolarHBondContact O-N 3.48Å; N157-P197 WeakPolarHBondContact O-CG 3.36Å; N157-V310 PolarHBondContact ND2-OXT 2.78Å
158	F	98.7	Very high	98.5	Very high	2 Å²	2	16.1 Å²	16.1	1%	0.009	9%	0.088	C	C	.	.			trans	-156.2	162.4	-176.6	72.8	-72.8	0	0	0	112.9	M55 I57 F155 L160 P197 V199 L283 V310	M55-F158 HydrophobicContact CE-CE1 4.02Å; M55-F158 HydrophobicContact CE-CZ 4.3Å; I57-F158 HydrophobicContact CD1-CE2 4.1Å; I57-F158 HydrophobicContact CD1-CZ 4.15Å; F155-F158 CarbonylContact C-O 3.51Å; F155-F158 WeakPolarHBondContact CA-O 3.29Å; F155-F158 HydrophobicContact CB-CD1 4.08Å; F155-F158 HydrophobicContact CB-CE1 3.87Å; F155-F158 HydrophobicContact CB-CZ 4.4Å; F155-F158 WeakPolarHBondContact CB-O 3.39Å; F155-F158 HydrophobicContact CD2-CE1 4.21Å; F155-F158 HydrophobicContact CD2-CE2 4.27Å; F155-F158 AromaticContact CD2-CZ 3.87Å; F155-F158 HydrophobicContact CD2-CZ 3.87Å; F155-F158 HydrophobicContact CE2-CZ 4.48Å; F155-F158 HydrophobicContact CG-CE1 4.16Å; F155-F158 HydrophobicContact CG-CZ 4.26Å; F155-F158 PolarHBondContact N-O 2.8Å; F158-L160 HydrophobicContact CE2-CB 3.92Å; F158-P197 CarbonylContact C-O 3.5Å; F158-P197 WeakPolarHBondContact CA-O 3.36Å; F158-P197 HydrophobicContact CB-CG 4.49Å; F158-P197 VanDerWaalsContact CB-O 3.26Å; F158-P197 WeakPolarHBondContact CB-O 3.34Å; F158-V199 HydrophobicContact CD2-CB 4.18Å; F158-V199 HydrophobicContact CD2-CG2 3.73Å; F158-V199 HydrophobicContact CE2-CB 4.25Å; F158-V199 HydrophobicContact CE2-CG2 3.96Å; F158-L283 HydrophobicContact CB-CD1 4.47Å; F158-V310 HydrophobicContact CD1-CB 4.3Å; F158-V310 HydrophobicContact CD1-CG1 4.07Å; F158-V310 HydrophobicContact CD1-CG2 4.47Å; F158-V310 HydrophobicContact CE1-CB 4.45Å; F158-V310 HydrophobicContact CE1-CG1 4.23Å; F158-V310 HydrophobicContact CE1-CG2 4.17Å
159	Y	98.9	Very high	98.4	Very high	18 Å²	18	17.4 Å²	17.4	7%	0.071	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	138.4	163	-67.8	-72.7	0	0	0	110.7	T152 A153 E154 L192 Q195 K196 P197 L198 V199	T152-Y159 HydrophobicContact CG2-CD1 4.06Å; A153-Y159 CarbonylContact O-C 3.52Å; A153-Y159 WeakPolarHBondContact O-CA 3.46Å; E154-Y159 HydrophobicContact CB-CD1 3.71Å; E154-Y159 HydrophobicContact CB-CE1 3.51Å; E154-Y159 HydrophobicContact CG-CD1 3.82Å; E154-Y159 HydrophobicContact CG-CE1 3.35Å; Y159-L192 HydrophobicContact CD2-CB 4.07Å; Y159-L192 HydrophobicContact CD2-CD2 4.3Å; Y159-L192 HydrophobicContact CE1-CD2 4.41Å; Y159-L192 HydrophobicContact CE2-CB 4.36Å; Y159-L192 HydrophobicContact CE2-CD2 4.15Å; Y159-Q195 HydrophobicContact CE2-CB 4.31Å; Y159-K196 HydrophobicContact CD2-CB 3.7Å; Y159-K196 HydrophobicContact CE2-CB 3.42Å; Y159-K196 VanDerWaalsContact CE2-CB 3.42Å; Y159-P197 PolarHBondContact N-O 2.79Å; Y159-L198 CarbonylContact O-C 3.59Å; Y159-L198 WeakPolarHBondContact O-CA 3.2Å; Y159-L198 WeakPolarHBondContact O-CB 3.33Å; Y159-V199 PolarHBondContact O-N 2.79Å
160	L	98.9	Very high	98.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	119.9	165.1	179.3	59.2	0	0	0	109.3	I57 V84 M126 T152 A153 F155 F158 V199	I57-L160 HydrophobicContact CD1-CD1 4.14Å; I57-L160 HydrophobicContact CD1-CD2 4.36Å; I57-L160 HydrophobicContact CG2-CD1 4.24Å; I57-L160 HydrophobicContact CG2-CD2 4.14Å; V84-L160 HydrophobicContact CB-CD2 3.97Å; V84-L160 HydrophobicContact CG1-CD2 3.44Å; V84-L160 VanDerWaalsContact CG1-CD2 3.44Å; V84-L160 HydrophobicContact CG2-CD2 4.28Å; M126-L160 HydrophobicContact CE-CB 4.43Å; M126-L160 HydrophobicContact CE-CD2 4.02Å; M126-L160 HydrophobicContact CE-CG 3.88Å; M126-L160 HydrophobicContact SD-CD2 3.96Å; M126-L160 HydrophobicContact SD-CG 4.38Å; T152-L160 CarbonylContact C-O 3.56Å; T152-L160 WeakPolarHBondContact CA-O 3.4Å; A153-L160 PolarHBondContact N-O 2.83Å; A153-L160 PolarHBondContact O-N 2.84Å; F155-L160 HydrophobicContact CD2-CB 4.22Å; F155-L160 HydrophobicContact CE2-CB 3.96Å; F155-L160 HydrophobicContact CE2-CD2 4.24Å; F158-L160 HydrophobicContact CE2-CB 3.92Å; L160-V199 CarbonylContact C-O 3.51Å; L160-V199 WeakPolarHBondContact CA-O 3.43Å; L160-V199 HydrophobicContact CD1-CB 4Å; L160-V199 HydrophobicContact CD1-CG1 3.87Å
161	V	98.9	Very high	98	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	119.8	175.6	-173.4	0	0	0	0	108.1	V150 I151 T152 F185 L189 L192 V199 L200 C201	V150-V161 HydrophobicContact CG1-CG1 3.8Å; I151-V161 WeakPolarHBondContact O-CA 3.44Å; T152-V161 HydrophobicContact CG2-CG2 3.99Å; V161-F185 HydrophobicContact CG1-CE2 4.38Å; V161-F185 HydrophobicContact CG1-CZ 4.41Å; V161-L189 HydrophobicContact CB-CD2 4.21Å; V161-L189 HydrophobicContact CG1-CD2 4.09Å; V161-L189 HydrophobicContact CG2-CD2 3.97Å; V161-L192 HydrophobicContact CG2-CD1 3.91Å; V161-V199 PolarHBondContact N-O 2.73Å; V161-L200 HydrophobicContact CB-CD1 4.18Å; V161-L200 HydrophobicContact CG1-CD1 4.06Å; V161-L200 CarbonylContact O-C 3.53Å; V161-L200 WeakPolarHBondContact O-CA 3.48Å; V161-C201 PolarHBondContact O-N 3.01Å
162	T	98.9	Very high	97.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	132.9	166.8	175.7	0	0	0	0	109.5	C86 Q88 M126 V150 I151 C201	C86-T162 HydrophobicContact CB-CG2 4.37Å; Q88-T162 PolarHBondContact NE2-OG1 2.77Å; M126-T162 HydrophobicContact CB-CG2 4.49Å; M126-T162 HydrophobicContact CE-CG2 3.64Å; V150-T162 WeakPolarHBondContact CA-O 3.1Å; I151-T162 HydrophobicContact CB-CG2 3.8Å; I151-T162 PolarHBondContact N-O 2.81Å; I151-T162 VanDerWaalsContact N-O 3.13Å; I151-T162 PolarHBondContact O-N 3.18Å; T162-C201 CarbonylContact C-O 3.42Å; T162-C201 VanDerWaalsContact CA-O 3.31Å; T162-C201 WeakPolarHBondContact CA-O 3.17Å
163	A	98.9	Very high	97.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	142.6	-179.2	0	0	0	0	0	113.1	Q88 R149 V150 V165 F185 L200 C201 G202 D203 L204	Q88-A163 WeakPolarHBondContact CG-O 3.39Å; R149-A163 CarbonylContact O-C 3.47Å; R149-A163 VanDerWaalsContact O-CA 3.26Å; R149-A163 WeakPolarHBondContact O-CA 3.42Å; V150-A163 HydrophobicContact CG2-CB 4.26Å; A163-V165 HydrophobicContact CB-CG2 4.47Å; A163-F185 HydrophobicContact CB-CE1 4.1Å; A163-F185 HydrophobicContact CB-CE2 4.45Å; A163-F185 HydrophobicContact CB-CZ 3.61Å; A163-L200 HydrophobicContact CB-CD1 3.96Å; A163-C201 PolarHBondContact N-O 3.28Å; A163-G202 WeakPolarHBondContact O-CA 3.33Å; A163-D203 PolarHBondContact O-N 3.03Å; A163-L204 HydrophobicContact CB-CD2 4.39Å
164	Y	98.9	Very high	97.8	Very high	19 Å²	19	42.2 Å²	42.2	8%	0.075	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	93.2	161.7	178.8	-129	0	0	0	108.5	Q88 E89 S122 R149 D203	Q88-Y164 HydrophobicContact CB-CD2 4.22Å; Q88-Y164 HydrophobicContact CB-CG 4.33Å; E89-Y164 HydrophobicContact CB-CE1 4.37Å; E89-Y164 HydrophobicContact CB-CE2 4.23Å; E89-Y164 HydrophobicContact CG-CE1 3.88Å; E89-Y164 HydrophobicContact CG-CE2 4.21Å; E89-Y164 PolarHBondContact OE1-OH 2.91Å; E89-Y164 PolarHBondContact OE2-OH 2.95Å; S122-Y164 WeakPolarHBondContact OG-CD1 3.31Å; R149-Y164 WeakPolarHBondContact CB-O 3.36Å; R149-Y164 VanDerWaalsContact CD-O 3.26Å; R149-Y164 WeakPolarHBondContact CD-O 3.41Å; R149-Y164 VanDerWaalsContact CG-O 3.3Å; R149-Y164 WeakPolarHBondContact CG-O 3.17Å; R149-Y164 PolarHBondContact NH1-O 3.28Å; R149-Y164 PolarHBondContact O-N 3.32Å; Y164-D203 HydrophobicContact CD2-CB 4.08Å; Y164-D203 WeakPolarHBondContact CE2-OD2 3.38Å
165	V	98.8	Very high	97.8	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.018	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-67.1	141.3	-173.7	172.2	0	0	0	0	110.4	A163 N167 F185 D203 L204 N205	A163-V165 HydrophobicContact CB-CG2 4.47Å; V165-N167 PolarHBondContact O-N 3.38Å; V165-F185 HydrophobicContact CG2-CE1 4.35Å; V165-D203 PolarHBondContact N-O 3.03Å; V165-L204 HydrophobicContact CG2-CB 4.26Å; V165-L204 HydrophobicContact CG2-CD2 3.68Å; V165-N205 HydrophobicContact CB-CB 4.43Å; V165-N205 HydrophobicContact CG1-CB 4.49Å; V165-N205 PolarHBondContact O-ND2 3.41Å
166	P	98.3	Very high	97.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-58.6	126.3	179	-17.8	26.3	0	0	0	112.8	Y177 R178 W181	P166-Y177 HydrophobicContact CB-CD1 4.06Å; P166-Y177 HydrophobicContact CB-CE1 3.79Å; P166-Y177 HydrophobicContact CG-CD1 4.26Å; P166-Y177 HydrophobicContact CG-CE1 3.6Å; P166-R178 WeakPolarHBondContact O-CD 3.36Å; P166-W181 HydrophobicContact CG-CB 4.22Å; P166-W181 HydrophobicContact CG-CD2 3.5Å; P166-W181 HydrophobicContact CG-CE3 3.64Å; P166-W181 HydrophobicContact CG-CG 3.72Å; P166-W181 HydrophobicContact CG-CZ3 4.29Å
167	N	98.1	Very high	97.8	Very high	53 Å²	53	44.6 Å²	44.6	28%	0.283	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-69.7	135.6	171	-171.8	-87.1	0	0	0	111.1	V165 S169 N205	V165-N167 PolarHBondContact O-N 3.38Å; N167-S169 PolarHBondContact O-N 2.88Å; N167-S169 PolarHBondContact O-OG 3.44Å; N167-S169 WeakPolarHBondContact OD1-CA 3.32Å; N167-S169 PolarHBondContact OD1-N 3.11Å; N167-N205 PolarHBondContact ND2-OD1 3.27Å
168	A	97.4	Very high	97.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.211	C	C	.	.			trans	-63.9	-7.5	177.2	0	0	0	0	0	114.2	L172 V173 R174 L175 A223 E229	A168-L172 HydrophobicContact CB-CD2 4.26Å; A168-L172 CarbonylContact O-C 3.59Å; A168-L172 VanDerWaalsContact O-C 3.29Å; A168-L172 WeakPolarHBondContact O-CA 3.49Å; A168-V173 PolarHBondContact O-N 3.22Å; A168-R174 PolarHBondContact O-N 3.08Å; A168-L175 HydrophobicContact CB-CB 4.22Å; A168-L175 HydrophobicContact CB-CD1 4.01Å; A168-A223 HydrophobicContact CB-CB 3.84Å; A168-E229 WeakPolarHBondContact CB-OE1 3.36Å
169	S	95.1	Very high	97.9	Very high	33 Å²	33	44.6 Å²	44.6	23%	0.231	23%	0.229	C	C	.	.			trans	67.8	161.7	174.5	-59.6	0	0	0	0	114	N167 G171 L172 R174	N167-S169 PolarHBondContact O-N 2.88Å; N167-S169 PolarHBondContact O-OG 3.44Å; N167-S169 WeakPolarHBondContact OD1-CA 3.32Å; N167-S169 PolarHBondContact OD1-N 3.11Å; S169-G171 PolarHBondContact O-N 3.42Å; S169-L172 WeakPolarHBondContact O-CA 2.98Å; S169-L172 PolarHBondContact O-N 2.74Å; S169-R174 WeakPolarHBondContact OG-CD 3.08Å
170	R	93.1	Very high	97.9	Very high	240 Å²	240	46.7 Å²	46.7	91%	0.906	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-57.9	134.5	177.3	-174.9	178.3	-179.4	-177.2	0	110	L172	R170-L172 PolarHBondContact O-N 2.97Å
171	G	96.1	Very high	97.9	Very high	70 Å²	70	46.8 Å²	46.8	72%	0.722	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	71.7	11.6	-176.3	0	0	0	0	0	114	S169 V173	S169-G171 PolarHBondContact O-N 3.42Å; G171-V173 PolarHBondContact O-N 3.42Å
172	L	97.4	Very high	97.9	Very high	50 Å²	50	47.7 Å²	47.7	26%	0.262	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	61.5	24.7	176.1	-53	179.2	0	0	0	113.9	A168 S169 R170 R174 L175 A223 T226	A168-L172 HydrophobicContact CB-CD2 4.26Å; A168-L172 CarbonylContact O-C 3.59Å; A168-L172 VanDerWaalsContact O-C 3.29Å; A168-L172 WeakPolarHBondContact O-CA 3.49Å; S169-L172 WeakPolarHBondContact O-CA 2.98Å; S169-L172 PolarHBondContact O-N 2.74Å; R170-L172 PolarHBondContact O-N 2.97Å; L172-R174 PolarHBondContact O-N 2.88Å; L172-R174 VanDerWaalsContact O-N 3.09Å; L172-L175 HydrophobicContact CB-CB 4.05Å; L172-L175 HydrophobicContact CB-CD2 4.3Å; L172-L175 HydrophobicContact CD1-CD2 4.18Å; L172-L175 VanDerWaalsContact O-CB 3.32Å; L172-L175 WeakPolarHBondContact O-CB 3.25Å; L172-L175 PolarHBondContact O-N 3.26Å; L172-A223 HydrophobicContact CD2-CB 4.26Å; L172-T226 HydrophobicContact CD1-CG2 3.93Å; L172-T226 HydrophobicContact CD2-CG2 3.61Å; L172-T226 HydrophobicContact CG-CG2 4.43Å
173	V	98.1	Very high	97.9	Very high	117 Å²	117	52 Å²	52	71%	0.709	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-17.9	-175.7	-62.1	0	0	0	0	113.9	A168 G171	A168-V173 PolarHBondContact O-N 3.22Å; G171-V173 PolarHBondContact O-N 3.42Å
174	R	97.5	Very high	97.9	Very high	54 Å²	54	53.6 Å²	53.6	20%	0.204	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	11	175.4	-67.5	-170	72.1	-174.5	6.6	113.4	Y121 E147 A168 S169 L172 D176 Y177 R178	Y121-R174 PolarHBondContact OH-NH1 3.46Å; E147-R174 VanDerWaalsContact CD-NH2 3.34Å; E147-R174 IonicContact OE1-CZ 3.76Å; E147-R174 IonicContact OE1-NH1 3.63Å; E147-R174 PolarHBondContact OE1-NH1 3.18Å; E147-R174 IonicContact OE1-NH2 2.79Å; E147-R174 PolarHBondContact OE1-NH2 3.36Å; E147-R174 IonicContact OE2-CZ 3.37Å; E147-R174 IonicContact OE2-NH1 3.91Å; E147-R174 IonicContact OE2-NH2 3.51Å; E147-R174 PolarHBondContact OE2-NH2 3.32Å; A168-R174 PolarHBondContact O-N 3.08Å; S169-R174 WeakPolarHBondContact OG-CD 3.08Å; L172-R174 PolarHBondContact O-N 2.88Å; L172-R174 VanDerWaalsContact O-N 3.09Å; R174-D176 VanDerWaalsContact C-N 3.32Å; R174-D176 PolarHBondContact O-N 3.25Å; R174-Y177 VanDerWaalsContact NH2-CD1 3.26Å; R174-Y177 PolarHBondContact O-N 3.25Å; R174-R178 PolarHBondContact O-N 2.9Å
175	L	98.5	Very high	97.9	Very high	19 Å²	19	53 Å²	53	10%	0.099	28%	0.277	C	S	.	.	H	α-helix	trans	-61.8	-38.9	-176.6	-177.5	60.7	0	0	0	112.5	A168 L172 R178 K179 T226 E228 E229	A168-L175 HydrophobicContact CB-CB 4.22Å; A168-L175 HydrophobicContact CB-CD1 4.01Å; L172-L175 HydrophobicContact CB-CB 4.05Å; L172-L175 HydrophobicContact CB-CD2 4.3Å; L172-L175 HydrophobicContact CD1-CD2 4.18Å; L172-L175 VanDerWaalsContact O-CB 3.32Å; L172-L175 WeakPolarHBondContact O-CB 3.25Å; L172-L175 PolarHBondContact O-N 3.26Å; L175-R178 WeakPolarHBondContact O-CB 3.46Å; L175-R178 PolarHBondContact O-N 3.32Å; L175-K179 HydrophobicContact CG-CD 4.34Å; L175-K179 WeakPolarHBondContact O-CG 3.12Å; L175-K179 PolarHBondContact O-N 3.46Å; L175-T226 HydrophobicContact CD2-CG2 4.45Å; L175-E228 HydrophobicContact CD1-CB 4.33Å; L175-E229 HydrophobicContact CD1-CG 3.94Å
176	D	98.4	Very high	97.9	Very high	117 Å²	117	55.2 Å²	55.2	63%	0.626	29%	0.285	S	S	*	.	H	α-helix	trans	-66.5	-38.3	177.1	-74.2	-38.7	0	0	0	112.5	R174 K179 T180	R174-D176 VanDerWaalsContact C-N 3.32Å; R174-D176 PolarHBondContact O-N 3.25Å; D176-K179 PolarHBondContact O-N 3.14Å; D176-K179 IonicContact OD1-NZ 3.33Å; D176-K179 PolarHBondContact OD1-NZ 3.03Å; D176-T180 PolarHBondContact O-N 3.13Å
177	Y	98.3	Very high	97.9	Very high	52 Å²	52	57.2 Å²	57.2	20%	0.204	30%	0.302	C	S	.	.	H	α-helix	trans	-65.2	-40.2	171.5	176	-103.3	0	0	0	112.2	E143 H144 P166 R174 K179 T180 W181	E143-Y177 PolarHBondContact O-OH 3.36Å; E143-Y177 VanDerWaalsContact O-OH 3.05Å; H144-Y177 AromaticContact CE1-CE2 3.77Å; H144-Y177 AromaticContact ND1-CE2 3.57Å; H144-Y177 AromaticContact ND1-CZ 3.59Å; H144-Y177 PolarHBondContact ND1-OH 3.03Å; P166-Y177 HydrophobicContact CB-CD1 4.06Å; P166-Y177 HydrophobicContact CB-CE1 3.79Å; P166-Y177 HydrophobicContact CG-CD1 4.26Å; P166-Y177 HydrophobicContact CG-CE1 3.6Å; R174-Y177 VanDerWaalsContact NH2-CD1 3.26Å; R174-Y177 PolarHBondContact O-N 3.25Å; Y177-K179 VanDerWaalsContact C-N 3.27Å; Y177-K179 PolarHBondContact O-N 2.93Å; Y177-T180 PolarHBondContact O-N 3.31Å; Y177-T180 PolarHBondContact O-OG1 2.87Å; Y177-W181 WeakPolarHBondContact O-CB 3.34Å; Y177-W181 PolarHBondContact O-N 3.08Å
178	R	98.6	Very high	97.9	Very high	5 Å²	5	56.1 Å²	56.1	2%	0.019	29%	0.294	C	S	.	.	H	α-helix	trans	-58.9	-40.3	175.2	167.8	58.3	-174.7	-89.7	13.5	111.3	P166 R174 L175 W181 D182 L204 N205 E229	P166-R178 WeakPolarHBondContact O-CD 3.36Å; R174-R178 PolarHBondContact O-N 2.9Å; L175-R178 WeakPolarHBondContact O-CB 3.46Å; L175-R178 PolarHBondContact O-N 3.32Å; R178-W181 WeakPolarHBondContact O-CB 3.44Å; R178-W181 PolarHBondContact O-N 2.99Å; R178-D182 IonicContact CZ-OD1 3.42Å; R178-D182 IonicContact CZ-OD2 3.72Å; R178-D182 IonicContact NE-OD1 3.07Å; R178-D182 PolarHBondContact NE-OD1 2.73Å; R178-D182 IonicContact NE-OD2 3.57Å; R178-D182 PolarHBondContact NE-OD2 3.33Å; R178-D182 IonicContact NH2-OD1 2.92Å; R178-D182 IonicContact NH2-OD2 3.79Å; R178-D182 PolarHBondContact O-N 3.38Å; R178-L204 PolarHBondContact NH2-O 2.96Å; R178-N205 PolarHBondContact NH1-O 2.86Å; R178-E229 HydrophobicContact CG-CG 4.08Å; R178-E229 IonicContact NH1-OE1 3.3Å; R178-E229 PolarHBondContact NH1-OE1 3.06Å; R178-E229 VanDerWaalsContact NH1-OE1 3.14Å
179	K	98.6	Very high	98	Very high	86 Å²	86	56.1 Å²	56.1	37%	0.374	29%	0.294	S	S	.	.	H	α-helix	trans	-65.3	-41.4	177.9	-72.2	159.1	55.2	-164.8	0	112.7	L175 D176 Y177 D182 I183 E228	L175-K179 HydrophobicContact CG-CD 4.34Å; L175-K179 WeakPolarHBondContact O-CG 3.12Å; L175-K179 PolarHBondContact O-N 3.46Å; D176-K179 PolarHBondContact O-N 3.14Å; D176-K179 IonicContact OD1-NZ 3.33Å; D176-K179 PolarHBondContact OD1-NZ 3.03Å; Y177-K179 VanDerWaalsContact C-N 3.27Å; Y177-K179 PolarHBondContact O-N 2.93Å; K179-D182 PolarHBondContact O-N 2.87Å; K179-I183 WeakPolarHBondContact O-CG1 3.23Å; K179-I183 PolarHBondContact O-N 2.81Å; K179-E228 HydrophobicContact CD-CB 4.16Å; K179-E228 HydrophobicContact CD-CG 4.24Å; K179-E228 HydrophobicContact CG-CB 4.22Å
180	T	98.6	Very high	98.2	Very high	63 Å²	63	56.2 Å²	56.2	39%	0.387	30%	0.295	S	S	.	.	H	α-helix	trans	-68.4	-41.8	176.3	59.7	0	0	0	0	111.1	D176 Y177 D182 I183 D184	D176-T180 PolarHBondContact O-N 3.13Å; Y177-T180 PolarHBondContact O-N 3.31Å; Y177-T180 PolarHBondContact O-OG1 2.87Å; T180-D182 PolarHBondContact O-N 3.49Å; T180-I183 PolarHBondContact O-N 2.65Å; T180-D184 PolarHBondContact O-N 2.47Å; T180-D184 VanDerWaalsContact O-N 3.1Å
181	W	98.8	Very high	98.4	Very high	1 Å²	1	50.8 Å²	50.8	0%	0.004	28%	0.28	C	S	.	.	H	α-helix	trans	-53.5	-49.5	171.2	172.8	-79.6	0	0	0	112.1	H144 R149 V150 P166 Y177 R178 I183 D184 F185	H144-W181 HydrophobicContact CB-CE3 3.78Å; H144-W181 HydrophobicContact CB-CZ3 3.58Å; H144-W181 AromaticContact CG-CE3 3.74Å; H144-W181 AromaticContact ND1-CE3 3.53Å; R149-W181 HydrophobicContact CB-CH2 3.6Å; R149-W181 HydrophobicContact CB-CZ2 4.26Å; R149-W181 HydrophobicContact CB-CZ3 4.31Å; R149-W181 HydrophobicContact CG-CH2 4.27Å; V150-W181 HydrophobicContact CG2-CH2 3.88Å; V150-W181 HydrophobicContact CG2-CZ2 3.95Å; P166-W181 HydrophobicContact CG-CB 4.22Å; P166-W181 HydrophobicContact CG-CD2 3.5Å; P166-W181 HydrophobicContact CG-CE3 3.64Å; P166-W181 HydrophobicContact CG-CG 3.72Å; P166-W181 HydrophobicContact CG-CZ3 4.29Å; Y177-W181 WeakPolarHBondContact O-CB 3.34Å; Y177-W181 PolarHBondContact O-N 3.08Å; R178-W181 WeakPolarHBondContact O-CB 3.44Å; R178-W181 PolarHBondContact O-N 2.99Å; W181-I183 VanDerWaalsContact C-N 3.29Å; W181-I183 PolarHBondContact O-N 2.93Å; W181-D184 PolarHBondContact O-N 2.84Å; W181-F185 HydrophobicContact CZ2-CD2 4.5Å; W181-F185 HydrophobicContact CZ2-CG 4.42Å; W181-F185 AromaticContact NE1-CD1 3.85Å; W181-F185 AromaticContact NE1-CG 3.92Å; W181-F185 WeakPolarHBondContact O-CB 3.29Å; W181-F185 PolarHBondContact O-N 3.03Å
182	D	98.8	Very high	98.5	Very high	20 Å²	20	48.3 Å²	48.3	11%	0.107	25%	0.25	C	S	.	.	H	α-helix	trans	-62.5	-36	-176.6	-77.2	-10.4	0	0	0	112.4	R178 K179 T180 R186	R178-D182 IonicContact CZ-OD1 3.42Å; R178-D182 IonicContact CZ-OD2 3.72Å; R178-D182 IonicContact NE-OD1 3.07Å; R178-D182 PolarHBondContact NE-OD1 2.73Å; R178-D182 IonicContact NE-OD2 3.57Å; R178-D182 PolarHBondContact NE-OD2 3.33Å; R178-D182 IonicContact NH2-OD1 2.92Å; R178-D182 IonicContact NH2-OD2 3.79Å; R178-D182 PolarHBondContact O-N 3.38Å; K179-D182 PolarHBondContact O-N 2.87Å; T180-D182 PolarHBondContact O-N 3.49Å; D182-R186 VanDerWaalsContact O-CB 3.22Å; D182-R186 WeakPolarHBondContact O-CB 3.32Å; D182-R186 PolarHBondContact O-N 2.92Å; D182-R186 VanDerWaalsContact O-N 3.11Å
183	I	98.8	Very high	98.6	Very high	91 Å²	91	48.1 Å²	48.1	47%	0.467	25%	0.249	S	C	.	.	H	α-helix	trans	-66.8	-52.4	177	-67.8	166.3	0	0	0	110.4	K179 T180 W181 R186 A187	K179-I183 WeakPolarHBondContact O-CG1 3.23Å; K179-I183 PolarHBondContact O-N 2.81Å; T180-I183 PolarHBondContact O-N 2.65Å; W181-I183 VanDerWaalsContact C-N 3.29Å; W181-I183 PolarHBondContact O-N 2.93Å; I183-R186 PolarHBondContact O-N 3.35Å; I183-A187 PolarHBondContact O-N 2.91Å
184	D	98.8	Very high	98.6	Very high	33 Å²	33	49.5 Å²	49.5	18%	0.176	25%	0.251	C	S	.	.	H	α-helix	trans	-70.2	-37.4	-175.8	-83.6	7.9	0	0	0	111.8	I139 K141 H144 T180 W181 A187 Y188	I139-D184 HydrophobicContact CD1-CB 4.26Å; K141-D184 IonicContact NZ-OD1 3.04Å; K141-D184 IonicContact NZ-OD2 2.78Å; K141-D184 PolarHBondContact NZ-OD2 3.16Å; H144-D184 IonicContact CD2-OD2 3.68Å; H144-D184 IonicContact NE2-OD2 3.87Å; T180-D184 PolarHBondContact O-N 2.47Å; T180-D184 VanDerWaalsContact O-N 3.1Å; W181-D184 PolarHBondContact O-N 2.84Å; D184-A187 PolarHBondContact O-N 3.12Å; D184-Y188 WeakPolarHBondContact O-CB 3.36Å; D184-Y188 PolarHBondContact O-N 3.21Å
185	F	98.9	Very high	98.6	Very high	6 Å²	6	53.4 Å²	53.4	3%	0.026	27%	0.272	C	S	.	.	H	α-helix	trans	-66.1	-41.4	176.1	-173.1	-134.9	0	0	0	111.7	I139 V150 V161 A163 V165 W181 A187 Y188 L189 L200	I139-F185 HydrophobicContact CG2-CD2 3.87Å; I139-F185 HydrophobicContact CG2-CE2 4.23Å; V150-F185 HydrophobicContact CG2-CE2 4.07Å; V161-F185 HydrophobicContact CG1-CE2 4.38Å; V161-F185 HydrophobicContact CG1-CZ 4.41Å; A163-F185 HydrophobicContact CB-CE1 4.1Å; A163-F185 HydrophobicContact CB-CE2 4.45Å; A163-F185 HydrophobicContact CB-CZ 3.61Å; V165-F185 HydrophobicContact CG2-CE1 4.35Å; W181-F185 HydrophobicContact CZ2-CD2 4.5Å; W181-F185 HydrophobicContact CZ2-CG 4.42Å; W181-F185 AromaticContact NE1-CD1 3.85Å; W181-F185 AromaticContact NE1-CG 3.92Å; W181-F185 WeakPolarHBondContact O-CB 3.29Å; W181-F185 PolarHBondContact O-N 3.03Å; F185-A187 VanDerWaalsContact C-N 3.34Å; F185-A187 PolarHBondContact O-N 2.85Å; F185-Y188 HydrophobicContact CD2-CD1 4.22Å; F185-Y188 HydrophobicContact CE2-CD1 4.25Å; F185-Y188 WeakPolarHBondContact O-CB 3.39Å; F185-Y188 PolarHBondContact O-N 3.01Å; F185-L189 HydrophobicContact CD1-CD1 4.05Å; F185-L189 HydrophobicContact CD2-CD1 4.34Å; F185-L189 HydrophobicContact CD2-CG 4.26Å; F185-L189 HydrophobicContact CE1-CD1 3.79Å; F185-L189 HydrophobicContact CE2-CD1 4.11Å; F185-L189 HydrophobicContact CE2-CD2 4.05Å; F185-L189 HydrophobicContact CE2-CG 4.03Å; F185-L189 HydrophobicContact CG-CD1 4.33Å; F185-L189 HydrophobicContact CZ-CD1 3.83Å; F185-L189 HydrophobicContact CZ-CD2 4.15Å; F185-L189 HydrophobicContact CZ-CG 4.21Å; F185-L189 VanDerWaalsContact O-CG 3.28Å; F185-L189 WeakPolarHBondContact O-CG 3.41Å; F185-L189 PolarHBondContact O-N 2.82Å; F185-L200 HydrophobicContact CE1-CD1 4.17Å; F185-L200 HydrophobicContact CE1-CD2 4.02Å; F185-L200 HydrophobicContact CZ-CD1 3.71Å; F185-L200 HydrophobicContact CZ-CD2 4.27Å
186	R	98.9	Very high	98.6	Very high	49 Å²	49	54.1 Å²	54.1	19%	0.185	27%	0.274	C	S	.	.	H	α-helix	trans	-61.9	-42.2	173.4	177.9	178.5	62.5	-134.5	8	111.8	D182 I183 L189 S190 Q235 L236 A239	D182-R186 VanDerWaalsContact O-CB 3.22Å; D182-R186 WeakPolarHBondContact O-CB 3.32Å; D182-R186 PolarHBondContact O-N 2.92Å; D182-R186 VanDerWaalsContact O-N 3.11Å; I183-R186 PolarHBondContact O-N 3.35Å; R186-L189 PolarHBondContact O-N 2.85Å; R186-S190 WeakPolarHBondContact O-CB 3.37Å; R186-S190 PolarHBondContact O-N 2.8Å; R186-S190 PolarHBondContact O-OG 2.79Å; R186-Q235 WeakPolarHBondContact CD-O 3.37Å; R186-L236 HydrophobicContact CB-CD1 4.12Å; R186-L236 HydrophobicContact CG-CD1 4.02Å; R186-A239 HydrophobicContact CG-CB 4.07Å
187	A	98.8	Very high	98.6	Very high	43 Å²	43	50.2 Å²	50.2	36%	0.355	26%	0.255	S	S	.	.	H	α-helix	trans	-60.5	-48.3	176.7	0	0	0	0	0	111	I183 D184 F185 L189 S190 E191	I183-A187 PolarHBondContact O-N 2.91Å; D184-A187 PolarHBondContact O-N 3.12Å; F185-A187 VanDerWaalsContact C-N 3.34Å; F185-A187 PolarHBondContact O-N 2.85Å; A187-L189 PolarHBondContact O-N 2.96Å; A187-S190 PolarHBondContact O-N 2.85Å; A187-S190 VanDerWaalsContact O-N 3.17Å; A187-E191 WeakPolarHBondContact O-CG 3.45Å; A187-E191 PolarHBondContact O-N 3.33Å
188	Y	98.9	Very high	98.6	Very high	29 Å²	29	47.7 Å²	47.7	11%	0.114	25%	0.245	C	C	.	.	H	α-helix	trans	-55	-49.5	175.6	171.9	-104.2	0	0	0	112.9	I139 V150 T152 D184 F185 S190 E191 L192	I139-Y188 HydrophobicContact CB-CD1 4.09Å; I139-Y188 HydrophobicContact CB-CD2 4.01Å; I139-Y188 HydrophobicContact CB-CE2 4.48Å; I139-Y188 HydrophobicContact CB-CG 3.78Å; I139-Y188 HydrophobicContact CG2-CD1 3.74Å; I139-Y188 HydrophobicContact CG2-CE1 4.04Å; I139-Y188 HydrophobicContact CG2-CG 3.98Å; V150-Y188 HydrophobicContact CG1-CE1 4.49Å; T152-Y188 WeakPolarHBondContact CB-OH 3.14Å; T152-Y188 PolarHBondContact OG1-OH 2.93Å; D184-Y188 WeakPolarHBondContact O-CB 3.36Å; D184-Y188 PolarHBondContact O-N 3.21Å; F185-Y188 HydrophobicContact CD2-CD1 4.22Å; F185-Y188 HydrophobicContact CE2-CD1 4.25Å; F185-Y188 WeakPolarHBondContact O-CB 3.39Å; F185-Y188 PolarHBondContact O-N 3.01Å; Y188-S190 VanDerWaalsContact C-N 3.32Å; Y188-S190 PolarHBondContact O-N 2.78Å; Y188-E191 PolarHBondContact O-N 2.58Å; Y188-L192 HydrophobicContact CD1-CD1 4.2Å; Y188-L192 HydrophobicContact CE1-CD1 3.54Å; Y188-L192 HydrophobicContact CE1-CG 4.41Å; Y188-L192 HydrophobicContact CE2-CD1 4.26Å; Y188-L192 HydrophobicContact CE2-CG 4.39Å; Y188-L192 PolarHBondContact O-N 3.37Å; Y188-L192 VanDerWaalsContact O-N 3.12Å
189	L	98.9	Very high	98.6	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-63.5	-39.7	178.6	-65.7	169.5	0	0	0	111.7	V161 F185 R186 A187 E191 L192 D193 L198 L200 L236 F241	V161-L189 HydrophobicContact CB-CD2 4.21Å; V161-L189 HydrophobicContact CG1-CD2 4.09Å; V161-L189 HydrophobicContact CG2-CD2 3.97Å; F185-L189 HydrophobicContact CD1-CD1 4.05Å; F185-L189 HydrophobicContact CD2-CD1 4.34Å; F185-L189 HydrophobicContact CD2-CG 4.26Å; F185-L189 HydrophobicContact CE1-CD1 3.79Å; F185-L189 HydrophobicContact CE2-CD1 4.11Å; F185-L189 HydrophobicContact CE2-CD2 4.05Å; F185-L189 HydrophobicContact CE2-CG 4.03Å; F185-L189 HydrophobicContact CG-CD1 4.33Å; F185-L189 HydrophobicContact CZ-CD1 3.83Å; F185-L189 HydrophobicContact CZ-CD2 4.15Å; F185-L189 HydrophobicContact CZ-CG 4.21Å; F185-L189 VanDerWaalsContact O-CG 3.28Å; F185-L189 WeakPolarHBondContact O-CG 3.41Å; F185-L189 PolarHBondContact O-N 2.82Å; R186-L189 PolarHBondContact O-N 2.85Å; A187-L189 PolarHBondContact O-N 2.96Å; L189-E191 VanDerWaalsContact C-N 3.33Å; L189-E191 PolarHBondContact O-N 2.8Å; L189-L192 PolarHBondContact O-N 2.82Å; L189-D193 WeakPolarHBondContact O-CB 3.1Å; L189-D193 PolarHBondContact O-N 3.13Å; L189-L198 HydrophobicContact CB-CD2 4.27Å; L189-L198 HydrophobicContact CD2-CD1 4.27Å; L189-L198 HydrophobicContact CD2-CD2 4.23Å; L189-L198 WeakPolarHBondContact O-CD2 3.46Å; L189-L200 HydrophobicContact CD1-CD2 3.72Å; L189-L236 HydrophobicContact CD1-CD1 3.8Å; L189-F241 HydrophobicContact CB-CE2 3.91Å; L189-F241 HydrophobicContact CB-CZ 3.68Å
190	S	98.6	Very high	98.6	Very high	36 Å²	36	43.4 Å²	43.4	25%	0.252	23%	0.226	S	C	.	.	H	α-helix	trans	-65	-38.3	178.4	-53.5	0	0	0	0	111.6	R186 A187 Y188 D193 I194	R186-S190 WeakPolarHBondContact O-CB 3.37Å; R186-S190 PolarHBondContact O-N 2.8Å; R186-S190 PolarHBondContact O-OG 2.79Å; A187-S190 PolarHBondContact O-N 2.85Å; A187-S190 VanDerWaalsContact O-N 3.17Å; Y188-S190 VanDerWaalsContact C-N 3.32Å; Y188-S190 PolarHBondContact O-N 2.78Å; S190-D193 PolarHBondContact O-N 2.88Å; S190-I194 WeakPolarHBondContact O-CG1 3.19Å; S190-I194 PolarHBondContact O-N 2.94Å; S190-I194 VanDerWaalsContact O-N 3.17Å
191	E	98.6	Very high	98.7	Very high	126 Å²	126	40.4 Å²	40.4	59%	0.589	21%	0.208	S	C	*	.	H	α-helix	trans	-66.6	-35.5	175.8	-73.2	176.4	-173.3	0	0	113.1	A187 Y188 L189 Q195	A187-E191 WeakPolarHBondContact O-CG 3.45Å; A187-E191 PolarHBondContact O-N 3.33Å; Y188-E191 PolarHBondContact O-N 2.58Å; L189-E191 VanDerWaalsContact C-N 3.33Å; L189-E191 PolarHBondContact O-N 2.8Å; E191-Q195 PolarHBondContact O-NE2 3.31Å
192	L	98.6	Very high	98.7	Very high	18 Å²	18	40.3 Å²	40.3	9%	0.094	21%	0.208	C	C	.	.	H	α-helix	trans	-66.6	-45.9	171.4	-70	177.7	0	0	0	111.2	T152 Y159 V161 Y188 L189 I194 Q195 K196 L198	T152-L192 HydrophobicContact CG2-CD1 3.95Å; Y159-L192 HydrophobicContact CD2-CB 4.07Å; Y159-L192 HydrophobicContact CD2-CD2 4.3Å; Y159-L192 HydrophobicContact CE1-CD2 4.41Å; Y159-L192 HydrophobicContact CE2-CB 4.36Å; Y159-L192 HydrophobicContact CE2-CD2 4.15Å; V161-L192 HydrophobicContact CG2-CD1 3.91Å; Y188-L192 HydrophobicContact CD1-CD1 4.2Å; Y188-L192 HydrophobicContact CE1-CD1 3.54Å; Y188-L192 HydrophobicContact CE1-CG 4.41Å; Y188-L192 HydrophobicContact CE2-CD1 4.26Å; Y188-L192 HydrophobicContact CE2-CG 4.39Å; Y188-L192 PolarHBondContact O-N 3.37Å; Y188-L192 VanDerWaalsContact O-N 3.12Å; L189-L192 PolarHBondContact O-N 2.82Å; L192-I194 PolarHBondContact O-N 2.89Å; L192-Q195 WeakPolarHBondContact O-CB 3.47Å; L192-Q195 PolarHBondContact O-N 2.79Å; L192-K196 PolarHBondContact O-N 2.92Å; L192-K196 VanDerWaalsContact O-O 3.04Å; L192-L198 HydrophobicContact CB-CD2 3.8Å; L192-L198 HydrophobicContact CD1-CD2 4.47Å
193	D	98.3	Very high	98.7	Very high	45 Å²	45	39.5 Å²	39.5	24%	0.241	20%	0.203	C	C	.	.	H	α-helix	trans	-63.6	-30	-175.1	-166.4	46.8	0	0	0	113.1	L189 S190 Q195 K196 P197 L198 F241 S280	L189-D193 WeakPolarHBondContact O-CB 3.1Å; L189-D193 PolarHBondContact O-N 3.13Å; S190-D193 PolarHBondContact O-N 2.88Å; D193-Q195 PolarHBondContact O-N 3.49Å; D193-K196 WeakPolarHBondContact CA-O 3.22Å; D193-P197 WeakPolarHBondContact OD1-CA 3.16Å; D193-L198 HydrophobicContact CB-CD2 4.04Å; D193-F241 HydrophobicContact CB-CE1 4.25Å; D193-F241 HydrophobicContact CB-CZ 4.21Å; D193-S280 WeakPolarHBondContact OD1-CB 3.43Å; D193-S280 PolarHBondContact OD1-OG 3.31Å
194	I	98.1	Very high	98.7	Very high	146 Å²	146	35.4 Å²	35.4	75%	0.749	18%	0.182	S	C	*	.	H	α-helix	trans	-60	-35.2	171.6	-70.5	165.1	0	0	0	111.6	S190 L192	S190-I194 WeakPolarHBondContact O-CG1 3.19Å; S190-I194 PolarHBondContact O-N 2.94Å; S190-I194 VanDerWaalsContact O-N 3.17Å; L192-I194 PolarHBondContact O-N 2.89Å
195	Q	98.1	Very high	98.7	Very high	137 Å²	137	34.2 Å²	34.2	64%	0.64	18%	0.176	S	C	*	.	H	α-helix	trans	-87.1	-43.1	-175.4	-64.7	174.3	63.7	0	0	111.9	Y159 E191 L192 D193	Y159-Q195 HydrophobicContact CE2-CB 4.31Å; E191-Q195 PolarHBondContact O-NE2 3.31Å; L192-Q195 WeakPolarHBondContact O-CB 3.47Å; L192-Q195 PolarHBondContact O-N 2.79Å; D193-Q195 PolarHBondContact O-N 3.49Å
196	K	98.2	Very high	98.7	Very high	34 Å²	34	33.9 Å²	33.9	15%	0.148	18%	0.175	C	C	.	.	S	Bend	trans	-157.5	141	-178.3	-161.2	-177.6	-55.9	-167.1	0	108.4	E154 F155 P156 Y159 L192 D193	E154-K196 VanDerWaalsContact CG-NZ 3.35Å; E154-K196 WeakPolarHBondContact OE1-CE 3.28Å; E154-K196 IonicContact OE1-NZ 3.23Å; E154-K196 PolarHBondContact OE1-NZ 2.8Å; F155-K196 PolarHBondContact O-NZ 2.98Å; P156-K196 PolarHBondContact O-NZ 2.88Å; Y159-K196 HydrophobicContact CD2-CB 3.7Å; Y159-K196 HydrophobicContact CE2-CB 3.42Å; Y159-K196 VanDerWaalsContact CE2-CB 3.42Å; L192-K196 PolarHBondContact O-N 2.92Å; L192-K196 VanDerWaalsContact O-O 3.04Å; D193-K196 WeakPolarHBondContact CA-O 3.22Å
197	P	98.4	Very high	98.7	Very high	34 Å²	34	31.6 Å²	31.6	22%	0.221	17%	0.166	C	C	.	.			trans	-54.7	153	175	24.4	-36.4	0	0	0	111.6	N157 F158 Y159 D193 L283	N157-P197 WeakPolarHBondContact O-CG 3.36Å; F158-P197 CarbonylContact C-O 3.5Å; F158-P197 WeakPolarHBondContact CA-O 3.36Å; F158-P197 HydrophobicContact CB-CG 4.49Å; F158-P197 VanDerWaalsContact CB-O 3.26Å; F158-P197 WeakPolarHBondContact CB-O 3.34Å; Y159-P197 PolarHBondContact N-O 2.79Å; D193-P197 WeakPolarHBondContact OD1-CA 3.16Å; P197-L283 HydrophobicContact CB-CD1 4.05Å; P197-L283 HydrophobicContact CB-CD2 3.85Å; P197-L283 HydrophobicContact CB-CG 3.74Å; P197-L283 HydrophobicContact CG-CD2 4Å; P197-L283 HydrophobicContact CG-CG 4.45Å
198	L	98.6	Very high	98.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	155	-177.3	73.5	85.5	0	0	0	113.5	Y159 L189 L192 D193 L200 F241 S280 L283	Y159-L198 CarbonylContact O-C 3.59Å; Y159-L198 WeakPolarHBondContact O-CA 3.2Å; Y159-L198 WeakPolarHBondContact O-CB 3.33Å; L189-L198 HydrophobicContact CB-CD2 4.27Å; L189-L198 HydrophobicContact CD2-CD1 4.27Å; L189-L198 HydrophobicContact CD2-CD2 4.23Å; L189-L198 WeakPolarHBondContact O-CD2 3.46Å; L192-L198 HydrophobicContact CB-CD2 3.8Å; L192-L198 HydrophobicContact CD1-CD2 4.47Å; D193-L198 HydrophobicContact CB-CD2 4.04Å; L198-L200 HydrophobicContact CD1-CB 4.06Å; L198-F241 HydrophobicContact CD1-CD1 4.18Å; L198-F241 HydrophobicContact CD1-CE1 3.68Å; L198-F241 HydrophobicContact CD1-CZ 4.47Å; L198-F241 HydrophobicContact CD2-CE1 3.87Å; L198-F241 HydrophobicContact CD2-CZ 4.13Å; L198-F241 HydrophobicContact CG-CE1 3.75Å; L198-F241 HydrophobicContact CG-CZ 4.5Å; L198-S280 PolarHBondContact N-OG 3.44Å; L198-S280 PolarHBondContact O-N 2.97Å; L198-S280 PolarHBondContact O-OG 3.38Å; L198-L283 WeakPolarHBondContact O-CD1 3.43Å
199	V	98.9	Very high	98.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	117	165.9	177.4	0	0	0	0	106.8	I57 F158 Y159 L160 V161 F277 L279 L283 L306	I57-V199 HydrophobicContact CD1-CG1 4.45Å; F158-V199 HydrophobicContact CD2-CB 4.18Å; F158-V199 HydrophobicContact CD2-CG2 3.73Å; F158-V199 HydrophobicContact CE2-CB 4.25Å; F158-V199 HydrophobicContact CE2-CG2 3.96Å; Y159-V199 PolarHBondContact O-N 2.79Å; L160-V199 CarbonylContact C-O 3.51Å; L160-V199 WeakPolarHBondContact CA-O 3.43Å; L160-V199 HydrophobicContact CD1-CB 4Å; L160-V199 HydrophobicContact CD1-CG1 3.87Å; V161-V199 PolarHBondContact N-O 2.73Å; V199-F277 HydrophobicContact CG1-CD1 3.81Å; V199-F277 HydrophobicContact CG1-CE1 4.4Å; V199-L279 HydrophobicContact CB-CD2 4.16Å; V199-L279 HydrophobicContact CG1-CD2 3.8Å; V199-L279 HydrophobicContact CG2-CD2 3.69Å; V199-L283 HydrophobicContact CG2-CD1 3.7Å; V199-L306 HydrophobicContact CG1-CD2 3.86Å; V199-L306 HydrophobicContact CG2-CD2 4.44Å
200	L	98.9	Very high	98.7	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	131.2	166.8	165.4	64.9	0	0	0	108.7	V161 A163 F185 L189 L198 L204 L236 F277 L278	V161-L200 HydrophobicContact CB-CD1 4.18Å; V161-L200 HydrophobicContact CG1-CD1 4.06Å; V161-L200 CarbonylContact O-C 3.53Å; V161-L200 WeakPolarHBondContact O-CA 3.48Å; A163-L200 HydrophobicContact CB-CD1 3.96Å; F185-L200 HydrophobicContact CE1-CD1 4.17Å; F185-L200 HydrophobicContact CE1-CD2 4.02Å; F185-L200 HydrophobicContact CZ-CD1 3.71Å; F185-L200 HydrophobicContact CZ-CD2 4.27Å; L189-L200 HydrophobicContact CD1-CD2 3.72Å; L198-L200 HydrophobicContact CD1-CB 4.06Å; L200-L204 HydrophobicContact CD1-CD2 4.39Å; L200-L204 HydrophobicContact CD2-CD1 4.15Å; L200-L204 HydrophobicContact CD2-CD2 4.25Å; L200-L204 HydrophobicContact CG-CD2 4.45Å; L200-L236 HydrophobicContact CD2-CD2 4.19Å; L200-F277 CarbonylContact O-C 3.52Å; L200-F277 VanDerWaalsContact O-CA 3.31Å; L200-F277 WeakPolarHBondContact O-CA 3.22Å; L200-L278 HydrophobicContact CB-CB 4.25Å; L200-L278 HydrophobicContact CD2-CB 4.43Å; L200-L278 HydrophobicContact CD2-CD1 4.02Å; L200-L278 HydrophobicContact CD2-CG 4.4Å; L200-L278 PolarHBondContact N-O 2.79Å; L200-L278 PolarHBondContact O-N 3.27Å
201	C	98.9	Very high	98.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	162.9	172.1	73.3	0	0	0	0	113.3	C86 V161 T162 A163 Y276 F277	C86-C201 PolarHBondContact SG-SG 3.13Å; V161-C201 PolarHBondContact O-N 3.01Å; T162-C201 CarbonylContact C-O 3.42Å; T162-C201 VanDerWaalsContact CA-O 3.31Å; T162-C201 WeakPolarHBondContact CA-O 3.17Å; A163-C201 PolarHBondContact N-O 3.28Å; C201-Y276 WeakPolarHBondContact CA-O 3.34Å; C201-F277 HydrophobicContact CB-CD1 3.39Å; C201-F277 HydrophobicContact CB-CE1 3.3Å; C201-F277 HydrophobicContact CB-CG 4.26Å; C201-F277 HydrophobicContact CB-CZ 4.11Å
202	G	98.9	Very high	98.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	124.3	-173.4	172.8	0	0	0	0	0	114	S59 A163 L204 D275 Y276	S59-G202 VanDerWaalsContact OG-CA 3.29Å; S59-G202 WeakPolarHBondContact OG-CA 3.44Å; S59-G202 PolarHBondContact OG-N 3.35Å; A163-G202 WeakPolarHBondContact O-CA 3.33Å; G202-L204 PolarHBondContact O-N 3.43Å; G202-D275 VanDerWaalsContact O-CA 3.28Å; G202-D275 WeakPolarHBondContact O-CA 3.22Å; G202-Y276 PolarHBondContact N-O 2.79Å; G202-Y276 PolarHBondContact O-N 2.85Å
203	D	98.9	Very high	98.7	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.011	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	105.8	176	175.4	7.2	0	0	0	109.7	N61 A163 Y164 V165 N205 H301	N61-D203 HydrophobicContact CB-CB 4.23Å; N61-D203 PolarHBondContact ND2-OD2 2.75Å; A163-D203 PolarHBondContact O-N 3.03Å; Y164-D203 HydrophobicContact CD2-CB 4.08Å; Y164-D203 WeakPolarHBondContact CE2-OD2 3.38Å; V165-D203 PolarHBondContact N-O 3.03Å; D203-N205 VanDerWaalsContact C-N 3.29Å; D203-N205 WeakPolarHBondContact OD1-CA 3.49Å; D203-N205 PolarHBondContact OD1-N 3.41Å; D203-N205 PolarHBondContact OD1-ND2 2.95Å; D203-N205 PolarHBondContact OD2-ND2 3.04Å; D203-H301 IonicContact OD2-CE1 3.25Å; D203-H301 IonicContact OD2-NE2 3.38Å
204	L	98.9	Very high	98.7	Very high	5 Å²	5	32.3 Å²	32.3	3%	0.026	16%	0.157	C	C	.	.			trans	-90	3.9	-179.1	-54.3	-171.9	0	0	0	112.6	A163 V165 R178 L200 G202 V206 F233 L274 Y276 L278	A163-L204 HydrophobicContact CB-CD2 4.39Å; V165-L204 HydrophobicContact CG2-CB 4.26Å; V165-L204 HydrophobicContact CG2-CD2 3.68Å; R178-L204 PolarHBondContact NH2-O 2.96Å; L200-L204 HydrophobicContact CD1-CD2 4.39Å; L200-L204 HydrophobicContact CD2-CD1 4.15Å; L200-L204 HydrophobicContact CD2-CD2 4.25Å; L200-L204 HydrophobicContact CG-CD2 4.45Å; G202-L204 PolarHBondContact O-N 3.43Å; L204-V206 HydrophobicContact CB-CG1 4.4Å; L204-V206 PolarHBondContact O-N 2.86Å; L204-V206 VanDerWaalsContact O-N 3.1Å; L204-F233 HydrophobicContact CD1-CE2 3.82Å; L204-L274 PolarHBondContact N-O 3.42Å; L204-Y276 HydrophobicContact CB-CD2 3.85Å; L204-Y276 HydrophobicContact CB-CE2 4.22Å; L204-Y276 HydrophobicContact CD1-CD2 3.81Å; L204-Y276 HydrophobicContact CD1-CG 3.98Å; L204-Y276 HydrophobicContact CG-CD2 3.84Å; L204-Y276 HydrophobicContact CG-CG 4.43Å; L204-L278 HydrophobicContact CD1-CD1 3.81Å; L204-L278 HydrophobicContact CD1-CG 4.12Å
205	N	98.9	Very high	98.6	Very high	8 Å²	8	29.5 Å²	29.5	4%	0.043	14%	0.144	C	C	.	.	S	Bend	trans	50.2	38.3	174.4	-93.2	-78	0	0	0	113.4	V165 N167 R178 D203 G224	V165-N205 HydrophobicContact CB-CB 4.43Å; V165-N205 HydrophobicContact CG1-CB 4.49Å; V165-N205 PolarHBondContact O-ND2 3.41Å; N167-N205 PolarHBondContact ND2-OD1 3.27Å; R178-N205 PolarHBondContact NH1-O 2.86Å; D203-N205 VanDerWaalsContact C-N 3.29Å; D203-N205 WeakPolarHBondContact OD1-CA 3.49Å; D203-N205 PolarHBondContact OD1-N 3.41Å; D203-N205 PolarHBondContact OD1-ND2 2.95Å; D203-N205 PolarHBondContact OD2-ND2 3.04Å; N205-G224 WeakPolarHBondContact O-CA 3.35Å
206	V	98.9	Very high	98.6	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.12	C	C	.	.			trans	-153	135.7	175.7	61.9	0	0	0	0	110.4	L204 G224 E229 R230 F233 Y276	L204-V206 HydrophobicContact CB-CG1 4.4Å; L204-V206 PolarHBondContact O-N 2.86Å; L204-V206 VanDerWaalsContact O-N 3.1Å; V206-G224 CarbonylContact C-O 3.47Å; V206-G224 WeakPolarHBondContact CA-O 3.41Å; V206-E229 HydrophobicContact CB-CB 4.38Å; V206-E229 HydrophobicContact CG2-CB 3.87Å; V206-R230 HydrophobicContact CG2-CG 4.2Å; V206-F233 HydrophobicContact CG1-CB 4Å; V206-F233 HydrophobicContact CG1-CD2 3.41Å; V206-F233 VanDerWaalsContact CG1-CD2 3.41Å; V206-F233 HydrophobicContact CG1-CE2 4.14Å; V206-F233 HydrophobicContact CG1-CG 3.99Å; V206-Y276 WeakPolarHBondContact O-CE2 3.42Å; V206-Y276 PolarHBondContact O-OH 2.99Å
207	A	98.9	Very high	98.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.151	C	C	.	.			trans	-93.4	115.1	162.8	0	0	0	0	0	108	D212 L213 G224 F225 W272 L274	A207-D212 HydrophobicContact CB-CB 3.91Å; A207-L213 HydrophobicContact CB-CB 4.17Å; A207-L213 HydrophobicContact CB-CD1 4.46Å; A207-L213 HydrophobicContact CB-CD2 4.37Å; A207-G224 PolarHBondContact N-O 3.27Å; A207-F225 HydrophobicContact CB-CD2 3.95Å; A207-F225 HydrophobicContact CB-CE2 4.4Å; A207-F225 WeakPolarHBondContact O-CD2 3.5Å; A207-F225 WeakPolarHBondContact O-CE2 3.17Å; A207-W272 HydrophobicContact CB-CE3 4.04Å; A207-L274 HydrophobicContact CB-CD2 4.4Å
208	H	98.8	Very high	98.5	Very high	20 Å²	20	32.5 Å²	32.5	9%	0.093	17%	0.17	C	C	.	.			trans	-65.9	-53.2	-169.6	-179.1	-149.7	0	0	0	112.9	R230 F233 S234 Y276	H208-R230 PolarHBondContact O-NE 2.99Å; H208-R230 PolarHBondContact O-NH2 3.13Å; H208-F233 HydrophobicContact CB-CD1 3.63Å; H208-F233 HydrophobicContact CB-CE1 3.68Å; H208-F233 HydrophobicContact CB-CG 4.34Å; H208-F233 HydrophobicContact CB-CZ 4.45Å; H208-F233 AromaticContact CD2-CD1 3.44Å; H208-F233 VanDerWaalsContact CD2-CD1 3.44Å; H208-F233 WeakPolarHBondContact CD2-CD1 3.3Å; H208-F233 AromaticContact CE1-CD1 3.97Å; H208-F233 AromaticContact CG-CD1 3.34Å; H208-F233 AromaticContact CG-CE1 3.62Å; H208-F233 AromaticContact ND1-CD1 3.74Å; H208-F233 AromaticContact ND1-CE1 3.72Å; H208-F233 AromaticContact NE2-CD1 3.83Å; H208-S234 PolarHBondContact NE2-OG 2.86Å; H208-Y276 PolarHBondContact N-OH 2.78Å
209	Q	98.7	Very high	98.4	Very high	79 Å²	79	33.6 Å²	33.6	37%	0.369	18%	0.176	S	C	.	.	S	Bend	trans	-118.1	167.5	-175.5	-61	-57.8	-19.6	0	0	112.4	I211 D212	Q209-I211 HydrophobicContact CB-CG2 4.03Å; Q209-I211 PolarHBondContact O-N 3.47Å; Q209-I211 VanDerWaalsContact O-N 3.14Å; Q209-D212 PolarHBondContact N-OD2 2.72Å; Q209-D212 WeakPolarHBondContact O-CB 3.48Å; Q209-D212 PolarHBondContact O-N 3.34Å
210	E	98.7	Very high	98.3	Very high	88 Å²	88	38 Å²	38	41%	0.411	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-60.9	-23.5	179.1	-66.5	-162.8	170.9	0	0	113	D212 P216 K220 F225	E210-D212 VanDerWaalsContact C-N 3.26Å; E210-D212 PolarHBondContact O-N 3.41Å; E210-P216 HydrophobicContact CB-CB 3.84Å; E210-P216 HydrophobicContact CB-CG 4.03Å; E210-P216 HydrophobicContact CG-CB 3.71Å; E210-P216 HydrophobicContact CG-CG 4.3Å; E210-K220 WeakPolarHBondContact OE1-CE 3.29Å; E210-K220 IonicContact OE1-NZ 3.19Å; E210-K220 PolarHBondContact OE1-NZ 3.37Å; E210-F225 HydrophobicContact CG-CZ 3.96Å
211	I	98.6	Very high	98.1	Very high	47 Å²	47	46.5 Å²	46.5	24%	0.241	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-70.1	-21.9	173.9	-166.7	170.5	0	0	0	112.9	Q209 L213 A253	Q209-I211 HydrophobicContact CB-CG2 4.03Å; Q209-I211 PolarHBondContact O-N 3.47Å; Q209-I211 VanDerWaalsContact O-N 3.14Å; I211-L213 VanDerWaalsContact C-N 3.3Å; I211-L213 PolarHBondContact O-N 3.21Å; I211-A253 HydrophobicContact CD1-CB 4.16Å; I211-A253 HydrophobicContact CG1-CB 4.02Å
212	D	98.8	Very high	98.1	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.005	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-85.4	2.2	-173.7	-63.7	-50.2	0	0	0	113.5	A207 Q209 E210 R246 W272 R273	A207-D212 HydrophobicContact CB-CB 3.91Å; Q209-D212 PolarHBondContact N-OD2 2.72Å; Q209-D212 WeakPolarHBondContact O-CB 3.48Å; Q209-D212 PolarHBondContact O-N 3.34Å; E210-D212 VanDerWaalsContact C-N 3.26Å; E210-D212 PolarHBondContact O-N 3.41Å; D212-R246 IonicContact OD1-CZ 3.8Å; D212-R246 IonicContact OD1-NE 2.83Å; D212-R246 PolarHBondContact OD1-NE 2.88Å; D212-R246 IonicContact OD1-NH2 2.88Å; D212-W272 CarbonylContact O-C 3.59Å; D212-W272 WeakPolarHBondContact O-CA 3.43Å; D212-R273 HydrophobicContact CB-CB 4.16Å; D212-R273 PolarHBondContact O-N 2.82Å; D212-R273 IonicContact OD1-CZ 3.84Å; D212-R273 VanDerWaalsContact OD1-CZ 3.23Å; D212-R273 IonicContact OD1-NE 2.73Å; D212-R273 PolarHBondContact OD1-NE 3.05Å; D212-R273 IonicContact OD1-NH2 3.36Å; D212-R273 PolarHBondContact OD1-NH2 3.44Å; D212-R273 IonicContact OD2-NH2 3.42Å; D212-R273 PolarHBondContact OD2-NH2 3.42Å
213	L	98.8	Very high	98	Very high	3 Å²	3	51.3 Å²	51.3	2%	0.016	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-149.5	154.5	172.5	75	178	0	0	0	112	A207 I211 N215 P216 N219 F225 G271 W272	A207-L213 HydrophobicContact CB-CB 4.17Å; A207-L213 HydrophobicContact CB-CD1 4.46Å; A207-L213 HydrophobicContact CB-CD2 4.37Å; I211-L213 VanDerWaalsContact C-N 3.3Å; I211-L213 PolarHBondContact O-N 3.21Å; L213-N215 PolarHBondContact O-N 3.34Å; L213-P216 HydrophobicContact CD2-CB 3.82Å; L213-P216 HydrophobicContact CG-CB 4.37Å; L213-N219 HydrophobicContact CD1-CB 3.98Å; L213-F225 HydrophobicContact CD1-CB 3.96Å; L213-F225 HydrophobicContact CD1-CD1 3.84Å; L213-F225 HydrophobicContact CD1-CD2 3.71Å; L213-F225 HydrophobicContact CD1-CE1 4.27Å; L213-F225 HydrophobicContact CD1-CE2 4.16Å; L213-F225 HydrophobicContact CD1-CG 3.56Å; L213-F225 HydrophobicContact CD1-CZ 4.44Å; L213-F225 HydrophobicContact CD2-CD1 4.41Å; L213-F225 HydrophobicContact CD2-CD2 3.8Å; L213-F225 HydrophobicContact CD2-CE1 4.05Å; L213-F225 HydrophobicContact CD2-CE2 3.39Å; L213-F225 HydrophobicContact CD2-CG 4.31Å; L213-F225 HydrophobicContact CD2-CZ 3.54Å; L213-F225 HydrophobicContact CG-CD2 4.41Å; L213-F225 HydrophobicContact CG-CE2 4.44Å; L213-G271 WeakPolarHBondContact CA-O 3.31Å; L213-W272 HydrophobicContact CB-CB 4.38Å; L213-W272 HydrophobicContact CB-CD2 3.95Å; L213-W272 HydrophobicContact CB-CE3 4.07Å; L213-W272 HydrophobicContact CB-CG 4.12Å; L213-W272 HydrophobicContact CD1-CD2 4.04Å; L213-W272 HydrophobicContact CD1-CE3 3.61Å; L213-W272 HydrophobicContact CD1-CH2 3.92Å; L213-W272 HydrophobicContact CD1-CZ2 4.28Å; L213-W272 HydrophobicContact CD1-CZ3 3.58Å
214	K	98.1	Very high	98	Very high	75 Å²	75	51.3 Å²	51.3	33%	0.326	26%	0.262	S	S	.	.	S	Bend	trans	-69.4	-35.7	-176	-170.9	59.5	166.8	-177.9	0	113.8	P216 N254 Y256 V270 G271	K214-P216 VanDerWaalsContact C-CD 3.44Å; K214-P216 WeakPolarHBondContact O-CD 3.43Å; K214-N254 PolarHBondContact NZ-OD1 2.81Å; K214-Y256 VanDerWaalsContact CA-OH 3.31Å; K214-Y256 WeakPolarHBondContact CA-OH 3.28Å; K214-Y256 HydrophobicContact CB-CE2 4.08Å; K214-Y256 HydrophobicContact CD-CE2 4.39Å; K214-Y256 PolarHBondContact N-OH 2.9Å; K214-V270 HydrophobicContact CB-CG1 4.12Å; K214-V270 HydrophobicContact CG-CB 4.38Å; K214-V270 HydrophobicContact CG-CG1 4.2Å; K214-V270 HydrophobicContact CG-CG2 4.29Å; K214-G271 PolarHBondContact N-O 2.88Å
215	N	97.4	Very high	98	Very high	87 Å²	87	51.1 Å²	51.1	47%	0.465	26%	0.261	S	S	.	.			trans	-124.6	63	-169.2	-67.8	-34.5	0	0	0	112.1	L213 K217 G218 N219 V270	L213-N215 PolarHBondContact O-N 3.34Å; N215-K217 PolarHBondContact O-N 3.04Å; N215-G218 PolarHBondContact O-N 3.23Å; N215-N219 PolarHBondContact O-N 2.83Å; N215-N219 PolarHBondContact O-ND2 3.16Å; N215-V270 WeakPolarHBondContact ND2-CG1 3.38Å
216	P	97.8	Very high	98	Very high	22 Å²	22	50.8 Å²	50.8	14%	0.143	26%	0.259	C	S	.	.	H	α-helix	trans	-58.9	-45.3	-175	20.6	-32.3	0	0	0	112.8	E210 L213 K214 G218 N219 K220 F225	E210-P216 HydrophobicContact CB-CB 3.84Å; E210-P216 HydrophobicContact CB-CG 4.03Å; E210-P216 HydrophobicContact CG-CB 3.71Å; E210-P216 HydrophobicContact CG-CG 4.3Å; L213-P216 HydrophobicContact CD2-CB 3.82Å; L213-P216 HydrophobicContact CG-CB 4.37Å; K214-P216 VanDerWaalsContact C-CD 3.44Å; K214-P216 WeakPolarHBondContact O-CD 3.43Å; P216-G218 VanDerWaalsContact C-N 3.31Å; P216-G218 PolarHBondContact O-N 3.33Å; P216-N219 PolarHBondContact O-N 3.02Å; P216-N219 VanDerWaalsContact O-N 3.14Å; P216-K220 VanDerWaalsContact O-CG 3.31Å; P216-K220 WeakPolarHBondContact O-CG 3.41Å; P216-K220 PolarHBondContact O-N 3.39Å; P216-F225 HydrophobicContact CB-CE1 3.7Å; P216-F225 HydrophobicContact CB-CZ 3.98Å
217	K	96.6	Very high	98	Very high	185 Å²	185	54.5 Å²	54.5	80%	0.804	28%	0.283	S	S	*	.	H	α-helix	trans	-58	-40.2	-176.7	-66.8	-176.6	-179.3	178.7	0	113.3	N215 N219	N215-K217 PolarHBondContact O-N 3.04Å; K217-N219 VanDerWaalsContact C-N 3.35Å
218	G	96.6	Very high	97.9	Very high	60 Å²	60	58.4 Å²	58.4	62%	0.619	30%	0.302	S	S	*	.	H	α-helix	trans	-81	-13	-178	0	0	0	0	0	114.3	N215 P216	N215-G218 PolarHBondContact O-N 3.23Å; P216-G218 VanDerWaalsContact C-N 3.31Å; P216-G218 PolarHBondContact O-N 3.33Å
219	N	97.7	Very high	97.9	Very high	24 Å²	24	57.5 Å²	57.5	13%	0.128	30%	0.297	C	S	.	.	H	α-helix	trans	-111.6	-0.5	-170.4	-76.4	-61.7	0	0	0	114.7	L213 N215 P216 K217 K221 N222 F225 W272	L213-N219 HydrophobicContact CD1-CB 3.98Å; N215-N219 PolarHBondContact O-N 2.83Å; N215-N219 PolarHBondContact O-ND2 3.16Å; P216-N219 PolarHBondContact O-N 3.02Å; P216-N219 VanDerWaalsContact O-N 3.14Å; K217-N219 VanDerWaalsContact C-N 3.35Å; N219-K221 PolarHBondContact O-N 3.38Å; N219-N222 HydrophobicContact CB-CB 4.49Å; N219-N222 PolarHBondContact O-N 3.41Å; N219-N222 PolarHBondContact OD1-ND2 2.85Å; N219-F225 HydrophobicContact CB-CB 4.25Å; N219-F225 HydrophobicContact CB-CD1 4.34Å; N219-W272 HydrophobicContact CB-CH2 3.5Å; N219-W272 VanDerWaalsContact CB-CH2 3.5Å; N219-W272 HydrophobicContact CB-CZ2 3.95Å; N219-W272 HydrophobicContact CB-CZ3 4.35Å; N219-W272 WeakPolarHBondContact ND2-CZ2 3.45Å; N219-W272 WeakPolarHBondContact OD1-CH2 3.44Å; N219-W272 VanDerWaalsContact OD1-CZ2 3.26Å; N219-W272 WeakPolarHBondContact OD1-CZ2 3.35Å
220	K	96.4	Very high	97.9	Very high	91 Å²	91	56.3 Å²	56.3	40%	0.396	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-13.2	-179.9	-59.4	-167.2	175	-170.4	0	115.1	E210 P216 F225	E210-K220 WeakPolarHBondContact OE1-CE 3.29Å; E210-K220 IonicContact OE1-NZ 3.19Å; E210-K220 PolarHBondContact OE1-NZ 3.37Å; P216-K220 VanDerWaalsContact O-CG 3.31Å; P216-K220 WeakPolarHBondContact O-CG 3.41Å; P216-K220 PolarHBondContact O-N 3.39Å; K220-F225 HydrophobicContact CG-CD1 4.15Å; K220-F225 HydrophobicContact CG-CE1 4.11Å
221	K	95.8	Very high	98	Very high	179 Å²	179	56.8 Å²	56.8	78%	0.778	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.7	13.8	178.1	-61	-174.2	178.1	-174.9	0	112.9	N219	N219-K221 PolarHBondContact O-N 3.38Å
222	N	97.6	Very high	98	Very high	77 Å²	77	55 Å²	55	41%	0.412	29%	0.285	S	S	.	.	S	Bend	trans	-110.8	151.2	178.3	-66.5	-19.9	0	0	0	109.6	N219 F225 T226	N219-N222 HydrophobicContact CB-CB 4.49Å; N219-N222 PolarHBondContact O-N 3.41Å; N219-N222 PolarHBondContact OD1-ND2 2.85Å; N222-F225 PolarHBondContact O-N 3.42Å; N222-F225 VanDerWaalsContact O-N 3.17Å; N222-T226 WeakPolarHBondContact O-CG2 3.27Å; N222-T226 PolarHBondContact O-N 2.82Å
223	A	97.9	Very high	98	Very high	24 Å²	24	55.2 Å²	55.2	20%	0.198	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	139.3	173.4	0	0	0	0	0	110.7	A168 L172	A168-A223 HydrophobicContact CB-CB 3.84Å; L172-A223 HydrophobicContact CD2-CB 4.26Å
224	G	98.1	Very high	98	Very high	3 Å²	3	56.9 Å²	56.9	3%	0.031	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.4	-7.3	-174.1	0	0	0	0	0	115.2	N205 V206 A207 E229	N205-G224 WeakPolarHBondContact O-CA 3.35Å; V206-G224 CarbonylContact C-O 3.47Å; V206-G224 WeakPolarHBondContact CA-O 3.41Å; A207-G224 PolarHBondContact N-O 3.27Å; G224-E229 WeakPolarHBondContact CA-OE2 3.34Å; G224-E229 VanDerWaalsContact N-CD 3.29Å; G224-E229 PolarHBondContact N-OE1 3.14Å; G224-E229 VanDerWaalsContact N-OE1 3.15Å; G224-E229 PolarHBondContact N-OE2 3Å
225	F	98.8	Very high	98	Very high	1 Å²	1	56.8 Å²	56.8	0%	0.004	30%	0.298	C	S	.	.	S	Bend	trans	-147.6	21.5	177.3	-155.9	-117.3	0	0	0	114.1	A207 E210 L213 P216 N219 K220 N222 E229 R230 W272	A207-F225 HydrophobicContact CB-CD2 3.95Å; A207-F225 HydrophobicContact CB-CE2 4.4Å; A207-F225 WeakPolarHBondContact O-CD2 3.5Å; A207-F225 WeakPolarHBondContact O-CE2 3.17Å; E210-F225 HydrophobicContact CG-CZ 3.96Å; L213-F225 HydrophobicContact CD1-CB 3.96Å; L213-F225 HydrophobicContact CD1-CD1 3.84Å; L213-F225 HydrophobicContact CD1-CD2 3.71Å; L213-F225 HydrophobicContact CD1-CE1 4.27Å; L213-F225 HydrophobicContact CD1-CE2 4.16Å; L213-F225 HydrophobicContact CD1-CG 3.56Å; L213-F225 HydrophobicContact CD1-CZ 4.44Å; L213-F225 HydrophobicContact CD2-CD1 4.41Å; L213-F225 HydrophobicContact CD2-CD2 3.8Å; L213-F225 HydrophobicContact CD2-CE1 4.05Å; L213-F225 HydrophobicContact CD2-CE2 3.39Å; L213-F225 HydrophobicContact CD2-CG 4.31Å; L213-F225 HydrophobicContact CD2-CZ 3.54Å; L213-F225 HydrophobicContact CG-CD2 4.41Å; L213-F225 HydrophobicContact CG-CE2 4.44Å; P216-F225 HydrophobicContact CB-CE1 3.7Å; P216-F225 HydrophobicContact CB-CZ 3.98Å; N219-F225 HydrophobicContact CB-CB 4.25Å; N219-F225 HydrophobicContact CB-CD1 4.34Å; K220-F225 HydrophobicContact CG-CD1 4.15Å; K220-F225 HydrophobicContact CG-CE1 4.11Å; N222-F225 PolarHBondContact O-N 3.42Å; N222-F225 VanDerWaalsContact O-N 3.17Å; F225-E229 PolarHBondContact N-OE2 3.15Å; F225-R230 HydrophobicContact CD2-CG 4.22Å; F225-R230 HydrophobicContact CE2-CG 4.4Å; F225-W272 HydrophobicContact CB-CH2 4.25Å; F225-W272 HydrophobicContact CB-CZ3 3.71Å
226	T	98.7	Very high	98.1	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.006	28%	0.28	C	S	.	.	S	Bend	trans	-69	156.4	171.9	83.3	0	0	0	0	110.7	L172 L175 N222 E228 E229 R230	L172-T226 HydrophobicContact CD1-CG2 3.93Å; L172-T226 HydrophobicContact CD2-CG2 3.61Å; L172-T226 HydrophobicContact CG-CG2 4.43Å; L175-T226 HydrophobicContact CD2-CG2 4.45Å; N222-T226 WeakPolarHBondContact O-CG2 3.27Å; N222-T226 PolarHBondContact O-N 2.82Å; T226-E228 WeakPolarHBondContact CB-OE2 3.5Å; T226-E228 PolarHBondContact O-N 3.42Å; T226-E228 PolarHBondContact OG1-N 3.42Å; T226-E228 PolarHBondContact OG1-OE2 3.34Å; T226-E229 WeakPolarHBondContact CG2-OE2 3.47Å; T226-E229 PolarHBondContact N-OE2 3.4Å; T226-E229 PolarHBondContact O-N 2.78Å; T226-E229 PolarHBondContact OG1-N 2.84Å; T226-R230 VanDerWaalsContact O-CG 3.27Å; T226-R230 WeakPolarHBondContact O-CG 3.21Å; T226-R230 PolarHBondContact O-N 2.95Å
227	P	98.5	Very high	98.1	Very high	78 Å²	78	54.2 Å²	54.2	51%	0.506	28%	0.283	S	S	.	.	H	α-helix	trans	-54.1	-38.1	173	-26.1	35.7	0	0	0	113	E231	P227-E231 WeakPolarHBondContact O-CB 3.34Å; P227-E231 PolarHBondContact O-N 3.39Å
228	E	98.6	Very high	98.2	Very high	82 Å²	82	49.6 Å²	49.6	38%	0.383	28%	0.28	S	S	.	.	H	α-helix	trans	-68.2	-45.2	-177.9	-56.7	81.5	178	0	0	112.3	L175 K179 T226 R230 E231 G232	L175-E228 HydrophobicContact CD1-CB 4.33Å; K179-E228 HydrophobicContact CD-CB 4.16Å; K179-E228 HydrophobicContact CD-CG 4.24Å; K179-E228 HydrophobicContact CG-CB 4.22Å; T226-E228 WeakPolarHBondContact CB-OE2 3.5Å; T226-E228 PolarHBondContact O-N 3.42Å; T226-E228 PolarHBondContact OG1-N 3.42Å; T226-E228 PolarHBondContact OG1-OE2 3.34Å; E228-R230 VanDerWaalsContact C-N 3.34Å; E228-R230 PolarHBondContact O-N 2.86Å; E228-E231 PolarHBondContact O-N 2.85Å; E228-G232 PolarHBondContact O-N 2.92Å
229	E	98.8	Very high	98.3	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-64.1	-41.3	176.9	-68.1	171.8	123.1	0	0	111	A168 L175 R178 V206 G224 F225 T226 G232 F233	A168-E229 WeakPolarHBondContact CB-OE1 3.36Å; L175-E229 HydrophobicContact CD1-CG 3.94Å; R178-E229 HydrophobicContact CG-CG 4.08Å; R178-E229 IonicContact NH1-OE1 3.3Å; R178-E229 PolarHBondContact NH1-OE1 3.06Å; R178-E229 VanDerWaalsContact NH1-OE1 3.14Å; V206-E229 HydrophobicContact CB-CB 4.38Å; V206-E229 HydrophobicContact CG2-CB 3.87Å; G224-E229 WeakPolarHBondContact CA-OE2 3.34Å; G224-E229 VanDerWaalsContact N-CD 3.29Å; G224-E229 PolarHBondContact N-OE1 3.14Å; G224-E229 VanDerWaalsContact N-OE1 3.15Å; G224-E229 PolarHBondContact N-OE2 3Å; F225-E229 PolarHBondContact N-OE2 3.15Å; T226-E229 WeakPolarHBondContact CG2-OE2 3.47Å; T226-E229 PolarHBondContact N-OE2 3.4Å; T226-E229 PolarHBondContact O-N 2.78Å; T226-E229 PolarHBondContact OG1-N 2.84Å; E229-G232 PolarHBondContact O-N 3.03Å; E229-F233 PolarHBondContact O-N 2.72Å
230	R	98.8	Very high	98.3	Very high	54 Å²	54	48.8 Å²	48.8	20%	0.204	27%	0.272	C	S	.	.	H	α-helix	trans	-68	-37.5	178.5	-66.7	173.1	66.2	-141	-6.2	112.4	V206 H208 F225 T226 E228 S234	V206-R230 HydrophobicContact CG2-CG 4.2Å; H208-R230 PolarHBondContact O-NE 2.99Å; H208-R230 PolarHBondContact O-NH2 3.13Å; F225-R230 HydrophobicContact CD2-CG 4.22Å; F225-R230 HydrophobicContact CE2-CG 4.4Å; T226-R230 VanDerWaalsContact O-CG 3.27Å; T226-R230 WeakPolarHBondContact O-CG 3.21Å; T226-R230 PolarHBondContact O-N 2.95Å; E228-R230 VanDerWaalsContact C-N 3.34Å; E228-R230 PolarHBondContact O-N 2.86Å; R230-S234 WeakPolarHBondContact O-CB 3.5Å; R230-S234 PolarHBondContact O-N 3.47Å; R230-S234 PolarHBondContact O-OG 3.08Å
231	E	98.8	Very high	98.4	Very high	99 Å²	99	44.6 Å²	44.6	46%	0.463	25%	0.254	S	S	.	.	H	α-helix	trans	-67.1	-44.3	173.9	178.9	56.2	-154	0	0	110.7	P227 E228 F233 S234 Q235	P227-E231 WeakPolarHBondContact O-CB 3.34Å; P227-E231 PolarHBondContact O-N 3.39Å; E228-E231 PolarHBondContact O-N 2.85Å; E231-F233 VanDerWaalsContact C-N 3.29Å; E231-F233 PolarHBondContact O-N 3.44Å; E231-S234 WeakPolarHBondContact O-CB 3.44Å; E231-S234 PolarHBondContact O-N 3.17Å; E231-Q235 HydrophobicContact CG-CG 4.48Å; E231-Q235 WeakPolarHBondContact O-CG 3.21Å; E231-Q235 PolarHBondContact O-N 2.96Å; E231-Q235 WeakPolarHBondContact OE1-CG 3.44Å; E231-Q235 PolarHBondContact OE1-NE2 2.83Å
232	G	98.8	Very high	98.5	Very high	9 Å²	9	37.5 Å²	37.5	9%	0.093	23%	0.226	C	C	.	.	H	α-helix	trans	-54.3	-45.3	173.9	0	0	0	0	0	112.3	E228 E229 Q235 L236	E228-G232 PolarHBondContact O-N 2.92Å; E229-G232 PolarHBondContact O-N 3.03Å; G232-Q235 PolarHBondContact O-N 3.48Å; G232-L236 PolarHBondContact O-N 3.28Å
233	F	98.9	Very high	98.6	Very high	6 Å²	6	34.1 Å²	34.1	3%	0.026	21%	0.208	C	C	.	.	H	α-helix	trans	-65.3	-41.1	174	-166.8	-87	0	0	0	113	L204 V206 H208 E229 E231 Q235 L236 L237 Y276 L278	L204-F233 HydrophobicContact CD1-CE2 3.82Å; V206-F233 HydrophobicContact CG1-CB 4Å; V206-F233 HydrophobicContact CG1-CD2 3.41Å; V206-F233 VanDerWaalsContact CG1-CD2 3.41Å; V206-F233 HydrophobicContact CG1-CE2 4.14Å; V206-F233 HydrophobicContact CG1-CG 3.99Å; H208-F233 HydrophobicContact CB-CD1 3.63Å; H208-F233 HydrophobicContact CB-CE1 3.68Å; H208-F233 HydrophobicContact CB-CG 4.34Å; H208-F233 HydrophobicContact CB-CZ 4.45Å; H208-F233 AromaticContact CD2-CD1 3.44Å; H208-F233 VanDerWaalsContact CD2-CD1 3.44Å; H208-F233 WeakPolarHBondContact CD2-CD1 3.3Å; H208-F233 AromaticContact CE1-CD1 3.97Å; H208-F233 AromaticContact CG-CD1 3.34Å; H208-F233 AromaticContact CG-CE1 3.62Å; H208-F233 AromaticContact ND1-CD1 3.74Å; H208-F233 AromaticContact ND1-CE1 3.72Å; H208-F233 AromaticContact NE2-CD1 3.83Å; E229-F233 PolarHBondContact O-N 2.72Å; E231-F233 VanDerWaalsContact C-N 3.29Å; E231-F233 PolarHBondContact O-N 3.44Å; F233-Q235 VanDerWaalsContact C-N 3.3Å; F233-Q235 PolarHBondContact O-N 3.31Å; F233-L236 WeakPolarHBondContact O-CB 3.47Å; F233-L236 PolarHBondContact O-N 3.33Å; F233-L236 VanDerWaalsContact O-N 3.15Å; F233-L237 HydrophobicContact CD1-CD1 4.09Å; F233-L237 HydrophobicContact CD1-CG 4.05Å; F233-L237 HydrophobicContact CE1-CD1 3.77Å; F233-L237 HydrophobicContact CE1-CD2 4Å; F233-L237 HydrophobicContact CE1-CG 3.87Å; F233-L237 HydrophobicContact CZ-CD2 4.41Å; F233-L237 PolarHBondContact O-N 2.94Å; F233-Y276 HydrophobicContact CE1-CE1 4.27Å; F233-Y276 HydrophobicContact CE2-CD1 4.01Å; F233-Y276 HydrophobicContact CE2-CD2 4.18Å; F233-Y276 AromaticContact CE2-CE1 3.89Å; F233-Y276 HydrophobicContact CE2-CE1 3.89Å; F233-Y276 HydrophobicContact CE2-CE2 4.09Å; F233-Y276 HydrophobicContact CE2-CG 4.16Å; F233-Y276 AromaticContact CE2-CZ 3.96Å; F233-Y276 AromaticContact CZ-CD1 3.58Å; F233-Y276 HydrophobicContact CZ-CD1 3.58Å; F233-Y276 AromaticContact CZ-CE1 3.42Å; F233-Y276 HydrophobicContact CZ-CE1 3.42Å; F233-Y276 VanDerWaalsContact CZ-CE1 3.42Å; F233-Y276 HydrophobicContact CZ-CE2 4.45Å; F233-Y276 HydrophobicContact CZ-CG 4.18Å; F233-Y276 AromaticContact CZ-CZ 3.92Å; F233-L278 HydrophobicContact CE2-CD1 4.08Å; F233-L278 HydrophobicContact CE2-CD2 4.49Å; F233-L278 HydrophobicContact CZ-CD1 4.16Å; F233-L278 HydrophobicContact CZ-CD2 3.93Å
234	S	98.9	Very high	98.6	Very high	37 Å²	37	33 Å²	33	26%	0.259	20%	0.199	S	C	.	.	H	α-helix	trans	-61.9	-40.3	177	-57.9	0	0	0	0	111.7	H208 R230 E231 L236 L237 A238	H208-S234 PolarHBondContact NE2-OG 2.86Å; R230-S234 WeakPolarHBondContact O-CB 3.5Å; R230-S234 PolarHBondContact O-N 3.47Å; R230-S234 PolarHBondContact O-OG 3.08Å; E231-S234 WeakPolarHBondContact O-CB 3.44Å; E231-S234 PolarHBondContact O-N 3.17Å; S234-L236 VanDerWaalsContact C-N 3.34Å; S234-L237 PolarHBondContact O-N 3.17Å; S234-A238 WeakPolarHBondContact O-CB 3.29Å; S234-A238 PolarHBondContact O-N 3.44Å
235	Q	98.8	Very high	98.7	Very high	74 Å²	74	33.1 Å²	33.1	35%	0.346	20%	0.198	S	C	.	.	H	α-helix	trans	-69	-32.4	175.1	-67.6	174.5	1.8	0	0	112.5	R186 E231 G232 F233 A238 A239	R186-Q235 WeakPolarHBondContact CD-O 3.37Å; E231-Q235 HydrophobicContact CG-CG 4.48Å; E231-Q235 WeakPolarHBondContact O-CG 3.21Å; E231-Q235 PolarHBondContact O-N 2.96Å; E231-Q235 WeakPolarHBondContact OE1-CG 3.44Å; E231-Q235 PolarHBondContact OE1-NE2 2.83Å; G232-Q235 PolarHBondContact O-N 3.48Å; F233-Q235 VanDerWaalsContact C-N 3.3Å; F233-Q235 PolarHBondContact O-N 3.31Å; Q235-A238 PolarHBondContact O-N 2.86Å; Q235-A239 PolarHBondContact O-N 2.92Å; Q235-A239 VanDerWaalsContact O-N 3.13Å
236	L	98.8	Very high	98.7	Very high	14 Å²	14	34.6 Å²	34.6	7%	0.073	20%	0.204	C	C	.	.	H	α-helix	trans	-62	-49.2	170.8	-179.9	62.3	0	0	0	110.3	R186 L189 L200 G232 F233 S234 A238 A239 F241 L278	R186-L236 HydrophobicContact CB-CD1 4.12Å; R186-L236 HydrophobicContact CG-CD1 4.02Å; L189-L236 HydrophobicContact CD1-CD1 3.8Å; L200-L236 HydrophobicContact CD2-CD2 4.19Å; G232-L236 PolarHBondContact O-N 3.28Å; F233-L236 WeakPolarHBondContact O-CB 3.47Å; F233-L236 PolarHBondContact O-N 3.33Å; F233-L236 VanDerWaalsContact O-N 3.15Å; S234-L236 VanDerWaalsContact C-N 3.34Å; L236-A238 VanDerWaalsContact C-N 3.33Å; L236-A238 PolarHBondContact O-N 3.01Å; L236-A239 WeakPolarHBondContact O-CB 3.31Å; L236-A239 PolarHBondContact O-N 3.19Å; L236-A239 VanDerWaalsContact O-N 3.08Å; L236-F241 HydrophobicContact CD1-CD2 3.52Å; L236-F241 HydrophobicContact CD1-CE2 3.81Å; L236-F241 HydrophobicContact CG-CD2 4.1Å; L236-F241 WeakPolarHBondContact O-CD2 3.38Å; L236-L278 HydrophobicContact CD2-CD1 3.55Å; L236-L278 HydrophobicContact CG-CD1 4.18Å
237	L	98.8	Very high	98.6	Very high	40 Å²	40	38.1 Å²	38.1	21%	0.209	22%	0.22	C	C	.	.	H	α-helix	trans	-61.4	-41.8	176.2	-60.6	-173.8	0	0	0	112.3	F233 S234 A239 G240 F241 D243 L278	F233-L237 HydrophobicContact CD1-CD1 4.09Å; F233-L237 HydrophobicContact CD1-CG 4.05Å; F233-L237 HydrophobicContact CE1-CD1 3.77Å; F233-L237 HydrophobicContact CE1-CD2 4Å; F233-L237 HydrophobicContact CE1-CG 3.87Å; F233-L237 HydrophobicContact CZ-CD2 4.41Å; F233-L237 PolarHBondContact O-N 2.94Å; S234-L237 PolarHBondContact O-N 3.17Å; L237-A239 PolarHBondContact O-N 2.83Å; L237-A239 VanDerWaalsContact O-N 3.13Å; L237-G240 PolarHBondContact O-N 3.1Å; L237-F241 VanDerWaalsContact CA-O 3.29Å; L237-F241 WeakPolarHBondContact CA-O 3.39Å; L237-F241 WeakPolarHBondContact CD2-O 3.4Å; L237-F241 PolarHBondContact O-N 2.91Å; L237-F241 VanDerWaalsContact O-O 3.12Å; L237-D243 HydrophobicContact CD2-CB 4.47Å; L237-L278 HydrophobicContact CD2-CD1 4.2Å; L237-L278 HydrophobicContact CD2-CD2 4.09Å
238	A	98.5	Very high	98.6	Very high	89 Å²	89	36.5 Å²	36.5	74%	0.736	21%	0.207	S	C	*	.	H	α-helix	trans	-62.6	-18.7	177	0	0	0	0	0	113.5	S234 Q235 L236 G240	S234-A238 WeakPolarHBondContact O-CB 3.29Å; S234-A238 PolarHBondContact O-N 3.44Å; Q235-A238 PolarHBondContact O-N 2.86Å; L236-A238 VanDerWaalsContact C-N 3.33Å; L236-A238 PolarHBondContact O-N 3.01Å; A238-G240 PolarHBondContact O-N 3.36Å
239	A	98	Very high	98.6	Very high	40 Å²	40	33.5 Å²	33.5	33%	0.331	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	2.5	174.3	0	0	0	0	0	113.9	R186 Q235 L236 L237 F241	R186-A239 HydrophobicContact CG-CB 4.07Å; Q235-A239 PolarHBondContact O-N 2.92Å; Q235-A239 VanDerWaalsContact O-N 3.13Å; L236-A239 WeakPolarHBondContact O-CB 3.31Å; L236-A239 PolarHBondContact O-N 3.19Å; L236-A239 VanDerWaalsContact O-N 3.08Å; L237-A239 PolarHBondContact O-N 2.83Å; L237-A239 VanDerWaalsContact O-N 3.13Å; A239-F241 HydrophobicContact CB-CD2 4.38Å; A239-F241 HydrophobicContact CB-CE2 4.33Å
240	G	97.3	Very high	98.6	Very high	26 Å²	26	37 Å²	37	27%	0.268	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	112.5	4.6	175.3	0	0	0	0	0	114.8	L237 A238 S281	L237-G240 PolarHBondContact O-N 3.1Å; A238-G240 PolarHBondContact O-N 3.36Å; G240-S281 PolarHBondContact O-N 2.8Å; G240-S281 VanDerWaalsContact O-N 3.09Å; G240-S281 PolarHBondContact O-OG 3.31Å
241	F	98.6	Very high	98.6	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.018	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	147.4	177.7	-56.6	-66.7	0	0	0	112.1	L189 D193 L198 L236 L237 A239 L278 L279	L189-F241 HydrophobicContact CB-CE2 3.91Å; L189-F241 HydrophobicContact CB-CZ 3.68Å; D193-F241 HydrophobicContact CB-CE1 4.25Å; D193-F241 HydrophobicContact CB-CZ 4.21Å; L198-F241 HydrophobicContact CD1-CD1 4.18Å; L198-F241 HydrophobicContact CD1-CE1 3.68Å; L198-F241 HydrophobicContact CD1-CZ 4.47Å; L198-F241 HydrophobicContact CD2-CE1 3.87Å; L198-F241 HydrophobicContact CD2-CZ 4.13Å; L198-F241 HydrophobicContact CG-CE1 3.75Å; L198-F241 HydrophobicContact CG-CZ 4.5Å; L236-F241 HydrophobicContact CD1-CD2 3.52Å; L236-F241 HydrophobicContact CD1-CE2 3.81Å; L236-F241 HydrophobicContact CG-CD2 4.1Å; L236-F241 WeakPolarHBondContact O-CD2 3.38Å; L237-F241 VanDerWaalsContact CA-O 3.29Å; L237-F241 WeakPolarHBondContact CA-O 3.39Å; L237-F241 WeakPolarHBondContact CD2-O 3.4Å; L237-F241 PolarHBondContact O-N 2.91Å; L237-F241 VanDerWaalsContact O-O 3.12Å; A239-F241 HydrophobicContact CB-CD2 4.38Å; A239-F241 HydrophobicContact CB-CE2 4.33Å; F241-L278 HydrophobicContact CB-CB 4.35Å; F241-L279 CarbonylContact C-O 3.5Å; F241-L279 VanDerWaalsContact CA-O 3.32Å; F241-L279 WeakPolarHBondContact CA-O 3.37Å
242	V	98.8	Very high	98.5	Very high	29 Å²	29	43.3 Å²	43.3	18%	0.176	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	130.4	-177	179.7	0	0	0	0	110.9	S244 E247 L278 L279 L284	V242-S244 PolarHBondContact O-N 2.86Å; V242-S244 VanDerWaalsContact O-N 3.12Å; V242-E247 HydrophobicContact CG1-CB 3.97Å; V242-E247 HydrophobicContact CG1-CG 4.37Å; V242-L278 CarbonylContact O-C 3.58Å; V242-L278 VanDerWaalsContact O-CA 3.31Å; V242-L278 WeakPolarHBondContact O-CA 3.31Å; V242-L279 PolarHBondContact N-O 3.12Å; V242-L279 PolarHBondContact O-N 2.74Å; V242-L284 HydrophobicContact CB-CD1 4.24Å; V242-L284 HydrophobicContact CB-CD2 3.96Å; V242-L284 HydrophobicContact CB-CG 4.42Å; V242-L284 HydrophobicContact CG1-CD1 4.18Å; V242-L284 HydrophobicContact CG1-CD2 3.81Å; V242-L284 HydrophobicContact CG2-CD1 3.94Å; V242-L284 HydrophobicContact CG2-CG 4.49Å
243	D	98.9	Very high	98.4	Very high	7 Å²	7	45.2 Å²	45.2	4%	0.037	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	103	171.5	-178.3	-21.5	0	0	0	110.1	L237 F245 R246 E247 R273 Y276 L278	L237-D243 HydrophobicContact CD2-CB 4.47Å; D243-F245 VanDerWaalsContact C-N 3.26Å; D243-F245 PolarHBondContact O-N 3.27Å; D243-F245 PolarHBondContact OD1-N 2.93Å; D243-F245 VanDerWaalsContact OD1-N 3.08Å; D243-R246 HydrophobicContact CB-CB 4.2Å; D243-R246 PolarHBondContact O-N 3.02Å; D243-R246 PolarHBondContact OD1-N 2.95Å; D243-R246 WeakPolarHBondContact OD2-CG 3.37Å; D243-E247 WeakPolarHBondContact O-CB 3.34Å; D243-E247 PolarHBondContact O-N 3.13Å; D243-R273 IonicContact OD1-NH1 3.04Å; D243-R273 PolarHBondContact OD1-NH1 3.49Å; D243-R273 VanDerWaalsContact OD1-NH1 3.1Å; D243-R273 IonicContact OD2-CZ 2.9Å; D243-R273 IonicContact OD2-NH1 3.61Å; D243-R273 PolarHBondContact OD2-NH1 3.31Å; D243-R273 IonicContact OD2-NH2 3.14Å; D243-R273 PolarHBondContact OD2-NH2 2.95Å; D243-Y276 WeakPolarHBondContact OD2-CE1 3.27Å; D243-L278 HydrophobicContact CB-CD2 3.92Å
244	S	98.9	Very high	98.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-58.7	-34.6	-175.8	61.1	0	0	0	0	113.6	V242 L248 F277 S290	V242-S244 PolarHBondContact O-N 2.86Å; V242-S244 VanDerWaalsContact O-N 3.12Å; S244-L248 WeakPolarHBondContact O-CG 3.33Å; S244-L248 PolarHBondContact O-N 2.71Å; S244-F277 WeakPolarHBondContact CB-O 3.41Å; S244-F277 PolarHBondContact N-O 2.79Å; S244-F277 VanDerWaalsContact OG-CB 3.25Å; S244-F277 WeakPolarHBondContact OG-CB 3.49Å; S244-F277 PolarHBondContact OG-O 2.69Å; S244-S290 WeakPolarHBondContact OG-CB 3.44Å; S244-S290 PolarHBondContact OG-OG 3.21Å
245	F	98.9	Very high	98.4	Very high	6 Å²	6	44.5 Å²	44.5	3%	0.026	25%	0.25	C	C	.	.	H	α-helix	trans	-71.6	-44.5	179.8	-174.3	-85.4	0	0	0	110.2	Y38 D243 L248 Y249 R252 A255 S290 I292	Y38-F245 HydrophobicContact CE2-CZ 4.4Å; D243-F245 VanDerWaalsContact C-N 3.26Å; D243-F245 PolarHBondContact O-N 3.27Å; D243-F245 PolarHBondContact OD1-N 2.93Å; D243-F245 VanDerWaalsContact OD1-N 3.08Å; F245-L248 PolarHBondContact O-N 2.88Å; F245-Y249 HydrophobicContact CD2-CD2 4.04Å; F245-Y249 HydrophobicContact CE1-CD2 4.39Å; F245-Y249 AromaticContact CE2-CD2 3.87Å; F245-Y249 HydrophobicContact CE2-CD2 3.87Å; F245-Y249 HydrophobicContact CE2-CE2 4.42Å; F245-Y249 HydrophobicContact CG-CD2 4.39Å; F245-Y249 HydrophobicContact CZ-CD2 4.06Å; F245-Y249 HydrophobicContact CZ-CG 4.38Å; F245-Y249 WeakPolarHBondContact O-CA 3.43Å; F245-Y249 WeakPolarHBondContact O-CB 3.33Å; F245-Y249 PolarHBondContact O-N 3.5Å; F245-R252 HydrophobicContact CE1-CB 4.44Å; F245-R252 HydrophobicContact CZ-CG 4.38Å; F245-A255 HydrophobicContact CE1-CB 3.92Å; F245-A255 HydrophobicContact CZ-CB 3.69Å; F245-S290 VanDerWaalsContact CD2-O 3.28Å; F245-S290 WeakPolarHBondContact CD2-O 3.46Å; F245-I292 HydrophobicContact CD2-CD1 3.83Å; F245-I292 HydrophobicContact CD2-CG1 3.92Å; F245-I292 HydrophobicContact CE1-CD1 4.26Å; F245-I292 HydrophobicContact CE2-CB 4.5Å; F245-I292 HydrophobicContact CE2-CD1 3.49Å; F245-I292 VanDerWaalsContact CE2-CD1 3.49Å; F245-I292 HydrophobicContact CE2-CG1 3.7Å; F245-I292 HydrophobicContact CG-CD1 4.35Å; F245-I292 HydrophobicContact CZ-CD1 3.73Å; F245-I292 HydrophobicContact CZ-CG1 4.41Å
246	R	98.8	Very high	98.4	Very high	32 Å²	32	41.3 Å²	41.3	12%	0.121	24%	0.235	C	C	.	.	H	α-helix	trans	-75	-26.1	-179.8	-67.9	-65.4	146.6	-155.1	2.5	113.7	D212 D243 L248 Y249 P250 R252 R273	D212-R246 IonicContact OD1-CZ 3.8Å; D212-R246 IonicContact OD1-NE 2.83Å; D212-R246 PolarHBondContact OD1-NE 2.88Å; D212-R246 IonicContact OD1-NH2 2.88Å; D243-R246 HydrophobicContact CB-CB 4.2Å; D243-R246 PolarHBondContact O-N 3.02Å; D243-R246 PolarHBondContact OD1-N 2.95Å; D243-R246 WeakPolarHBondContact OD2-CG 3.37Å; R246-L248 VanDerWaalsContact C-N 3.31Å; R246-L248 PolarHBondContact O-N 2.97Å; R246-Y249 PolarHBondContact NH1-O 2.73Å; R246-P250 WeakPolarHBondContact O-CA 3.17Å; R246-P250 WeakPolarHBondContact O-CB 3.43Å; R246-P250 WeakPolarHBondContact O-CD 3.18Å; R246-P250 VanDerWaalsContact O-N 3.12Å; R246-R252 PolarHBondContact NH1-O 2.64Å; R246-R252 PolarHBondContact NH2-O 2.83Å; R246-R252 VanDerWaalsContact NH2-O 3.16Å; R246-R273 VanDerWaalsContact CG-NH2 3.26Å
247	E	98.5	Very high	98.4	Very high	75 Å²	75	40.7 Å²	40.7	35%	0.35	23%	0.231	S	C	.	.	H	α-helix	trans	-61.2	-40.6	169.6	174.3	55.7	-152.3	0	0	111.7	K48 V242 D243 L284 L287	K48-E247 IonicContact NZ-OE1 3.74Å; K48-E247 PolarHBondContact NZ-OE1 2.88Å; V242-E247 HydrophobicContact CG1-CB 3.97Å; V242-E247 HydrophobicContact CG1-CG 4.37Å; D243-E247 WeakPolarHBondContact O-CB 3.34Å; D243-E247 PolarHBondContact O-N 3.13Å; E247-L284 HydrophobicContact CG-CD2 4.25Å; E247-L287 HydrophobicContact CG-CD2 4.23Å
248	L	98.5	Very high	98.4	Very high	43 Å²	43	40.6 Å²	40.6	23%	0.225	23%	0.229	C	C	.	.	H	α-helix	trans	-87.1	-31	-179.2	-64.4	176.1	0	0	0	113.4	S244 F245 R246 L287	S244-L248 WeakPolarHBondContact O-CG 3.33Å; S244-L248 PolarHBondContact O-N 2.71Å; F245-L248 PolarHBondContact O-N 2.88Å; R246-L248 VanDerWaalsContact C-N 3.31Å; R246-L248 PolarHBondContact O-N 2.97Å; L248-L287 HydrophobicContact CD1-CD1 4.13Å; L248-L287 HydrophobicContact CD1-CD2 4.01Å; L248-L287 HydrophobicContact CD1-CG 3.98Å; L248-L287 HydrophobicContact CD2-CD2 4.13Å; L248-L287 HydrophobicContact CD2-CG 4.31Å; L248-L287 HydrophobicContact CG-CD2 3.87Å; L248-L287 HydrophobicContact CG-CG 4.27Å
249	Y	98.3	Very high	98.4	Very high	19 Å²	19	36.7 Å²	36.7	8%	0.075	20%	0.196	C	C	.	.			trans	-134.7	57.8	-170.8	-53.5	-70.7	0	0	0	111.8	P41 F245 R246 E251 R252 D289	P41-Y249 HydrophobicContact CG-CE1 4.32Å; F245-Y249 HydrophobicContact CD2-CD2 4.04Å; F245-Y249 HydrophobicContact CE1-CD2 4.39Å; F245-Y249 AromaticContact CE2-CD2 3.87Å; F245-Y249 HydrophobicContact CE2-CD2 3.87Å; F245-Y249 HydrophobicContact CE2-CE2 4.42Å; F245-Y249 HydrophobicContact CG-CD2 4.39Å; F245-Y249 HydrophobicContact CZ-CD2 4.06Å; F245-Y249 HydrophobicContact CZ-CG 4.38Å; F245-Y249 WeakPolarHBondContact O-CA 3.43Å; F245-Y249 WeakPolarHBondContact O-CB 3.33Å; F245-Y249 PolarHBondContact O-N 3.5Å; R246-Y249 PolarHBondContact NH1-O 2.73Å; Y249-E251 VanDerWaalsContact C-N 3.33Å; Y249-E251 PolarHBondContact O-N 3.04Å; Y249-R252 WeakPolarHBondContact O-CB 3.5Å; Y249-R252 PolarHBondContact O-N 2.85Å; Y249-R252 VanDerWaalsContact O-N 3.15Å; Y249-D289 WeakPolarHBondContact CE2-OD1 3.35Å; Y249-D289 PolarHBondContact OH-OD1 2.86Å; Y249-D289 PolarHBondContact OH-OD2 2.91Å
250	P	98.3	Very high	98.4	Very high	74 Å²	74	37.2 Å²	37.2	48%	0.481	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-43.7	-170	20.3	-32.5	0	0	0	112.8	R246	R246-P250 WeakPolarHBondContact O-CA 3.17Å; R246-P250 WeakPolarHBondContact O-CB 3.43Å; R246-P250 WeakPolarHBondContact O-CD 3.18Å; R246-P250 VanDerWaalsContact O-N 3.12Å
251	E	97.7	Very high	98.3	Very high	163 Å²	163	41.8 Å²	41.8	76%	0.762	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.8	6.3	-175.8	-57.2	-54.8	138.5	0	0	114.1	Y249 A253	Y249-E251 VanDerWaalsContact C-N 3.33Å; Y249-E251 PolarHBondContact O-N 3.04Å; E251-A253 PolarHBondContact O-N 3.23Å
252	R	97.8	Very high	98.2	Very high	123 Å²	123	47.9 Å²	47.9	46%	0.464	24%	0.235	S	C	.	.			trans	-75.4	93.6	-175.9	-174.3	72.2	62.4	179.2	-2.2	111.2	Y38 F245 R246 Y249 A255	Y38-R252 HydrophobicContact CD2-CG 4.46Å; Y38-R252 HydrophobicContact CE2-CG 3.97Å; F245-R252 HydrophobicContact CE1-CB 4.44Å; F245-R252 HydrophobicContact CZ-CG 4.38Å; R246-R252 PolarHBondContact NH1-O 2.64Å; R246-R252 PolarHBondContact NH2-O 2.83Å; R246-R252 VanDerWaalsContact NH2-O 3.16Å; Y249-R252 WeakPolarHBondContact O-CB 3.5Å; Y249-R252 PolarHBondContact O-N 2.85Å; Y249-R252 VanDerWaalsContact O-N 3.15Å; R252-A255 HydrophobicContact CG-CB 4.3Å
253	A	97.4	Very high	98	Very high	48 Å²	48	53.6 Å²	53.6	40%	0.397	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	163.7	176.9	0	0	0	0	0	113.3	I211 E251 A255	I211-A253 HydrophobicContact CD1-CB 4.16Å; I211-A253 HydrophobicContact CG1-CB 4.02Å; E251-A253 PolarHBondContact O-N 3.23Å; A253-A255 PolarHBondContact O-N 3.21Å
254	N	98	Very high	97.9	Very high	29 Å²	29	58.1 Å²	58.1	16%	0.155	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.7	12.3	178.4	-50.9	-76.8	0	0	0	115.7	Y38 K214 Y256 N269	Y38-N254 WeakPolarHBondContact CB-O 3.44Å; K214-N254 PolarHBondContact NZ-OD1 2.81Å; N254-Y256 HydrophobicContact CB-CE2 4.29Å; N254-Y256 PolarHBondContact O-N 3Å; N254-N269 PolarHBondContact O-ND2 3.42Å
255	A	98.6	Very high	97.8	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.288	C	S	.	.			trans	-90.6	98.6	178.9	0	0	0	0	0	110	Y38 F245 R252 A253 I292	Y38-A255 HydrophobicContact CD2-CB 3.52Å; Y38-A255 HydrophobicContact CE2-CB 3.53Å; Y38-A255 HydrophobicContact CG-CB 4.17Å; F245-A255 HydrophobicContact CE1-CB 3.92Å; F245-A255 HydrophobicContact CZ-CB 3.69Å; R252-A255 HydrophobicContact CG-CB 4.3Å; A253-A255 PolarHBondContact O-N 3.21Å; A255-I292 HydrophobicContact CB-CD1 3.98Å
256	Y	98.8	Very high	97.7	Very high	7 Å²	7	60.3 Å²	60.3	3%	0.027	30%	0.295	C	S	.	.			trans	-119.5	157.8	-173.1	-53.3	-45.1	0	0	0	110.7	K214 N254 W259 N269 G271 W272 I292	K214-Y256 VanDerWaalsContact CA-OH 3.31Å; K214-Y256 WeakPolarHBondContact CA-OH 3.28Å; K214-Y256 HydrophobicContact CB-CE2 4.08Å; K214-Y256 HydrophobicContact CD-CE2 4.39Å; K214-Y256 PolarHBondContact N-OH 2.9Å; N254-Y256 HydrophobicContact CB-CE2 4.29Å; N254-Y256 PolarHBondContact O-N 3Å; Y256-W259 AromaticContact CD2-NE1 3.98Å; Y256-W259 WeakPolarHBondContact O-CH2 3.43Å; Y256-W259 WeakPolarHBondContact O-CZ2 3.44Å; Y256-N269 VanDerWaalsContact CD2-OD1 3.31Å; Y256-N269 WeakPolarHBondContact CD2-OD1 3.46Å; Y256-N269 VanDerWaalsContact CE2-O 3.24Å; Y256-N269 WeakPolarHBondContact CE2-O 3.42Å; Y256-G271 VanDerWaalsContact CG-C 3.43Å; Y256-W272 WeakPolarHBondContact CB-O 3.26Å; Y256-I292 WeakPolarHBondContact O-CG2 3.4Å
257	T	98.9	Very high	97.6	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.308	C	S	.	.	S	Bend	trans	-116.8	-18.9	179.3	60.6	0	0	0	0	112.5	W259 W272 R273 L274 D275 I292 H301 C302 I304	T257-W259 WeakPolarHBondContact O-CZ3 2.81Å; T257-W272 PolarHBondContact N-O 2.85Å; T257-R273 HydrophobicContact CG2-CG 4.06Å; T257-L274 PolarHBondContact OG1-N 3.3Å; T257-D275 WeakPolarHBondContact CB-OD2 3.39Å; T257-D275 HydrophobicContact CG2-CB 4.09Å; T257-D275 PolarHBondContact OG1-N 3.15Å; T257-D275 VanDerWaalsContact OG1-N 3.12Å; T257-D275 PolarHBondContact OG1-OD2 3.14Å; T257-I292 HydrophobicContact CG2-CD1 4.07Å; T257-I292 HydrophobicContact CG2-CG1 4.08Å; T257-I292 HydrophobicContact CG2-CG2 4.1Å; T257-H301 CarbonylContact O-C 3.59Å; T257-H301 WeakPolarHBondContact O-CA 3.42Å; T257-C302 PolarHBondContact O-N 3.21Å; T257-I304 HydrophobicContact CG2-CG2 3.51Å
258	F	98.9	Very high	97.5	Very high	39 Å²	39	62.9 Å²	62.9	17%	0.171	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-125.6	139.4	-180	166.2	-103.5	0	0	0	111.9	G271 W272 L274 D300 H301	F258-G271 CarbonylContact O-C 3.47Å; F258-G271 WeakPolarHBondContact O-CA 3.5Å; F258-W272 HydrophobicContact CD1-CB 4.07Å; F258-W272 AromaticContact CD1-CD1 3.73Å; F258-W272 HydrophobicContact CD1-CG 4.05Å; F258-W272 PolarHBondContact N-O 2.94Å; F258-W272 PolarHBondContact O-N 3.37Å; F258-L274 HydrophobicContact CB-CD1 3.8Å; F258-L274 HydrophobicContact CB-CG 4.14Å; F258-L274 HydrophobicContact CD1-CD1 3.73Å; F258-L274 HydrophobicContact CE1-CD1 4.47Å; F258-L274 HydrophobicContact CG-CD1 3.81Å; F258-D300 WeakPolarHBondContact CA-O 3.26Å; F258-D300 HydrophobicContact CD2-CB 4.26Å; F258-D300 HydrophobicContact CE2-CB 4.1Å; F258-D300 WeakPolarHBondContact CE2-OD2 3.33Å; F258-H301 AromaticContact CD2-CD2 3.57Å; F258-H301 AromaticContact CD2-CE1 3.87Å; F258-H301 AromaticContact CD2-NE2 3.3Å; F258-H301 VanDerWaalsContact CD2-NE2 3.3Å; F258-H301 WeakPolarHBondContact CD2-NE2 3.4Å; F258-H301 AromaticContact CG-NE2 3.97Å
259	W	98.8	Very high	97.5	Very high	7 Å²	7	61.1 Å²	61.1	3%	0.027	30%	0.303	C	S	.	.			trans	-141.5	122	169	-55.8	-100.6	0	0	0	109.9	Y256 T257 Y261 R266 N269 N294 D300 C302	Y256-W259 AromaticContact CD2-NE1 3.98Å; Y256-W259 WeakPolarHBondContact O-CH2 3.43Å; Y256-W259 WeakPolarHBondContact O-CZ2 3.44Å; T257-W259 WeakPolarHBondContact O-CZ3 2.81Å; W259-Y261 PolarHBondContact O-N 3.42Å; W259-R266 HydrophobicContact CB-CB 3.75Å; W259-R266 HydrophobicContact CB-CG 4.2Å; W259-R266 HydrophobicContact CD2-CB 4.33Å; W259-R266 HydrophobicContact CD2-CG 3.84Å; W259-R266 HydrophobicContact CE3-CG 3.99Å; W259-R266 HydrophobicContact CG-CB 3.9Å; W259-R266 HydrophobicContact CG-CG 3.96Å; W259-N269 PolarHBondContact NE1-OD1 3.42Å; W259-N294 HydrophobicContact CH2-CB 4.17Å; W259-D300 PolarHBondContact N-O 3.12Å; W259-D300 WeakPolarHBondContact O-CB 3.49Å; W259-C302 HydrophobicContact CH2-CB 4.44Å; W259-C302 HydrophobicContact CZ3-CB 3.97Å
260	T	97.6	Very high	97.5	Very high	50 Å²	50	62.1 Å²	62.1	31%	0.307	31%	0.312	S	S	.	.			trans	-52.3	137	173	-179.3	0	0	0	0	111.3	M262 S265	T260-M262 HydrophobicContact CG2-CB 4.24Å; T260-M262 PolarHBondContact O-N 2.97Å; T260-M262 VanDerWaalsContact O-N 3.13Å; T260-M262 PolarHBondContact OG1-N 3.2Å; T260-S265 WeakPolarHBondContact CG2-OG 3.48Å; T260-S265 WeakPolarHBondContact O-CB 3.33Å
261	Y	96.3	Very high	97.5	Very high	123 Å²	123	58.6 Å²	58.6	48%	0.482	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-24.5	173	-67.4	-64.2	0	0	0	112.6	D63 K71 W259 D300	D63-Y261 WeakPolarHBondContact OD2-CE2 3.43Å; D63-Y261 PolarHBondContact OD2-OH 3.43Å; K71-Y261 PolarHBondContact NZ-OH 3.25Å; W259-Y261 PolarHBondContact O-N 3.42Å; Y261-D300 HydrophobicContact CD1-CB 4.32Å; Y261-D300 HydrophobicContact CD2-CB 3.94Å; Y261-D300 HydrophobicContact CE1-CB 3.97Å; Y261-D300 HydrophobicContact CE2-CB 3.55Å; Y261-D300 HydrophobicContact CG-CB 4.32Å; Y261-D300 PolarHBondContact OH-N 3.3Å
262	M	95.8	Very high	97.5	Very high	132 Å²	132	52.7 Å²	52.7	65%	0.65	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-65.2	146.4	-179.7	-62.8	-176.5	70.6	0	0	112	T260 N264 S265	T260-M262 HydrophobicContact CG2-CB 4.24Å; T260-M262 PolarHBondContact O-N 2.97Å; T260-M262 VanDerWaalsContact O-N 3.13Å; T260-M262 PolarHBondContact OG1-N 3.2Å; M262-N264 PolarHBondContact O-N 2.89Å; M262-S265 PolarHBondContact O-N 3.49Å; M262-S265 PolarHBondContact O-OG 3.39Å
263	M	95.4	Very high	97.6	Very high	148 Å²	148	47 Å²	47	73%	0.729	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	57.3	20	172.4	-57	-176.2	-74.7	0	0	115.3	S265 K268	M263-S265 VanDerWaalsContact C-N 3.28Å; M263-S265 PolarHBondContact O-N 2.88Å; M263-K268 PolarHBondContact O-NZ 3.27Å
264	N	95.2	Very high	97.7	Very high	102 Å²	102	45.2 Å²	45.2	55%	0.545	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	56.2	41.4	-178.4	-164.5	11.5	0	0	0	112.3	M262 R266 S267	M262-N264 PolarHBondContact O-N 2.89Å; N264-R266 VanDerWaalsContact C-N 3.27Å; N264-R266 PolarHBondContact O-N 3.29Å; N264-S267 PolarHBondContact ND2-OG 2.88Å; N264-S267 PolarHBondContact O-N 3.38Å; N264-S267 PolarHBondContact O-OG 3.4Å; N264-S267 WeakPolarHBondContact OD1-CB 3.48Å; N264-S267 PolarHBondContact OD1-OG 3.33Å; N264-S267 VanDerWaalsContact OD1-OG 3.05Å
265	S	97.2	Very high	97.7	Very high	8 Å²	8	44 Å²	44	6%	0.056	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-33.3	-170.6	-61.7	0	0	0	0	113.2	T260 M262 M263 K268 N269 V270	T260-S265 WeakPolarHBondContact CG2-OG 3.48Å; T260-S265 WeakPolarHBondContact O-CB 3.33Å; M262-S265 PolarHBondContact O-N 3.49Å; M262-S265 PolarHBondContact O-OG 3.39Å; M263-S265 VanDerWaalsContact C-N 3.28Å; M263-S265 PolarHBondContact O-N 2.88Å; S265-K268 CarbonylContact O-C 3.59Å; S265-K268 PolarHBondContact O-N 2.89Å; S265-N269 PolarHBondContact O-N 3.31Å; S265-N269 VanDerWaalsContact O-N 3.08Å; S265-V270 PolarHBondContact O-N 3.17Å
266	R	97.7	Very high	97.7	Very high	44 Å²	44	44 Å²	44	17%	0.166	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-46.6	177.6	-164.5	166.1	-178.2	168.9	-1	112.9	W259 N264 K268 N269 N294 A296 S299	W259-R266 HydrophobicContact CB-CB 3.75Å; W259-R266 HydrophobicContact CB-CG 4.2Å; W259-R266 HydrophobicContact CD2-CB 4.33Å; W259-R266 HydrophobicContact CD2-CG 3.84Å; W259-R266 HydrophobicContact CE3-CG 3.99Å; W259-R266 HydrophobicContact CG-CB 3.9Å; W259-R266 HydrophobicContact CG-CG 3.96Å; N264-R266 VanDerWaalsContact C-N 3.27Å; N264-R266 PolarHBondContact O-N 3.29Å; R266-K268 PolarHBondContact O-N 2.89Å; R266-N269 PolarHBondContact O-N 2.74Å; R266-N294 PolarHBondContact NH2-O 3.42Å; R266-A296 PolarHBondContact NH2-O 2.74Å; R266-S299 PolarHBondContact NH1-O 2.98Å
267	S	96.2	Very high	97.7	Very high	56 Å²	56	43.8 Å²	43.8	39%	0.392	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-27.2	177.4	72.4	0	0	0	0	113.8	N264	N264-S267 PolarHBondContact ND2-OG 2.88Å; N264-S267 PolarHBondContact O-N 3.38Å; N264-S267 PolarHBondContact O-OG 3.4Å; N264-S267 WeakPolarHBondContact OD1-CB 3.48Å; N264-S267 PolarHBondContact OD1-OG 3.33Å; N264-S267 VanDerWaalsContact OD1-OG 3.05Å
268	K	96.8	Very high	97.7	Very high	106 Å²	106	43.8 Å²	43.8	46%	0.461	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-0.5	179.1	-63.4	170.7	-176.9	164.6	0	112.5	P35 M263 S265 R266 V270	P35-K268 WeakPolarHBondContact CB-O 3.32Å; M263-K268 PolarHBondContact O-NZ 3.27Å; S265-K268 CarbonylContact O-C 3.59Å; S265-K268 PolarHBondContact O-N 2.89Å; R266-K268 PolarHBondContact O-N 2.89Å; K268-V270 HydrophobicContact CB-CG2 3.84Å; K268-V270 PolarHBondContact O-N 2.96Å
269	N	97.9	Very high	97.7	Very high	5 Å²	5	42 Å²	42	3%	0.027	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	42.2	-170.5	-159.8	26.7	0	0	0	113.4	V36 L37 Y38 N254 Y256 W259 S265 R266 G271	V36-N269 WeakPolarHBondContact O-CB 3.42Å; V36-N269 PolarHBondContact O-ND2 3.26Å; L37-N269 HydrophobicContact CD2-CB 3.91Å; Y38-N269 PolarHBondContact N-ND2 3.17Å; N254-N269 PolarHBondContact O-ND2 3.42Å; Y256-N269 VanDerWaalsContact CD2-OD1 3.31Å; Y256-N269 WeakPolarHBondContact CD2-OD1 3.46Å; Y256-N269 VanDerWaalsContact CE2-O 3.24Å; Y256-N269 WeakPolarHBondContact CE2-O 3.42Å; W259-N269 PolarHBondContact NE1-OD1 3.42Å; S265-N269 PolarHBondContact O-N 3.31Å; S265-N269 VanDerWaalsContact O-N 3.08Å; R266-N269 PolarHBondContact O-N 2.74Å; N269-G271 PolarHBondContact O-N 3.11Å
270	V	98.2	Very high	97.7	Very high	41 Å²	41	41.6 Å²	41.6	25%	0.248	21%	0.205	C	C	.	.			trans	-92	80.3	172.9	-177.4	0	0	0	0	107.9	K214 N215 S265 K268	K214-V270 HydrophobicContact CB-CG1 4.12Å; K214-V270 HydrophobicContact CG-CB 4.38Å; K214-V270 HydrophobicContact CG-CG1 4.2Å; K214-V270 HydrophobicContact CG-CG2 4.29Å; N215-V270 WeakPolarHBondContact ND2-CG1 3.38Å; S265-V270 PolarHBondContact O-N 3.17Å; K268-V270 HydrophobicContact CB-CG2 3.84Å; K268-V270 PolarHBondContact O-N 2.96Å
271	G	98.4	Very high	97.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.211	C	C	.	.			trans	-126.5	-176.7	-169.5	0	0	0	0	0	114.6	L213 K214 Y256 F258 N269	L213-G271 WeakPolarHBondContact CA-O 3.31Å; K214-G271 PolarHBondContact N-O 2.88Å; Y256-G271 VanDerWaalsContact CG-C 3.43Å; F258-G271 CarbonylContact O-C 3.47Å; F258-G271 WeakPolarHBondContact O-CA 3.5Å; N269-G271 PolarHBondContact O-N 3.11Å
272	W	98.9	Very high	97.7	Very high	39 Å²	39	40.1 Å²	40.1	15%	0.148	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-136.2	145.4	177.9	-54.1	63.6	0	0	0	108.5	A207 D212 L213 N219 F225 Y256 T257 F258 L274	A207-W272 HydrophobicContact CB-CE3 4.04Å; D212-W272 CarbonylContact O-C 3.59Å; D212-W272 WeakPolarHBondContact O-CA 3.43Å; L213-W272 HydrophobicContact CB-CB 4.38Å; L213-W272 HydrophobicContact CB-CD2 3.95Å; L213-W272 HydrophobicContact CB-CE3 4.07Å; L213-W272 HydrophobicContact CB-CG 4.12Å; L213-W272 HydrophobicContact CD1-CD2 4.04Å; L213-W272 HydrophobicContact CD1-CE3 3.61Å; L213-W272 HydrophobicContact CD1-CH2 3.92Å; L213-W272 HydrophobicContact CD1-CZ2 4.28Å; L213-W272 HydrophobicContact CD1-CZ3 3.58Å; N219-W272 HydrophobicContact CB-CH2 3.5Å; N219-W272 VanDerWaalsContact CB-CH2 3.5Å; N219-W272 HydrophobicContact CB-CZ2 3.95Å; N219-W272 HydrophobicContact CB-CZ3 4.35Å; N219-W272 WeakPolarHBondContact ND2-CZ2 3.45Å; N219-W272 WeakPolarHBondContact OD1-CH2 3.44Å; N219-W272 VanDerWaalsContact OD1-CZ2 3.26Å; N219-W272 WeakPolarHBondContact OD1-CZ2 3.35Å; F225-W272 HydrophobicContact CB-CH2 4.25Å; F225-W272 HydrophobicContact CB-CZ3 3.71Å; Y256-W272 WeakPolarHBondContact CB-O 3.26Å; T257-W272 PolarHBondContact N-O 2.85Å; F258-W272 HydrophobicContact CD1-CB 4.07Å; F258-W272 AromaticContact CD1-CD1 3.73Å; F258-W272 HydrophobicContact CD1-CG 4.05Å; F258-W272 PolarHBondContact N-O 2.94Å; F258-W272 PolarHBondContact O-N 3.37Å; W272-L274 HydrophobicContact CB-CD1 4.28Å; W272-L274 HydrophobicContact CB-CD2 3.91Å; W272-L274 HydrophobicContact CB-CG 3.82Å; W272-L274 HydrophobicContact CE3-CD2 4.26Å
273	R	98.9	Very high	97.8	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.008	19%	0.189	C	C	.	.			trans	-95.5	104.5	166.8	-169.5	173.8	68.8	99.4	2	107.5	D212 D243 R246 T257 Y276	D212-R273 HydrophobicContact CB-CB 4.16Å; D212-R273 PolarHBondContact O-N 2.82Å; D212-R273 IonicContact OD1-CZ 3.84Å; D212-R273 VanDerWaalsContact OD1-CZ 3.23Å; D212-R273 IonicContact OD1-NE 2.73Å; D212-R273 PolarHBondContact OD1-NE 3.05Å; D212-R273 IonicContact OD1-NH2 3.36Å; D212-R273 PolarHBondContact OD1-NH2 3.44Å; D212-R273 IonicContact OD2-NH2 3.42Å; D212-R273 PolarHBondContact OD2-NH2 3.42Å; D243-R273 IonicContact OD1-NH1 3.04Å; D243-R273 PolarHBondContact OD1-NH1 3.49Å; D243-R273 VanDerWaalsContact OD1-NH1 3.1Å; D243-R273 IonicContact OD2-CZ 2.9Å; D243-R273 IonicContact OD2-NH1 3.61Å; D243-R273 PolarHBondContact OD2-NH1 3.31Å; D243-R273 IonicContact OD2-NH2 3.14Å; D243-R273 PolarHBondContact OD2-NH2 2.95Å; R246-R273 VanDerWaalsContact CG-NH2 3.26Å; T257-R273 HydrophobicContact CG2-CG 4.06Å; R273-Y276 VanDerWaalsContact NH1-CD1 3.26Å; R273-Y276 PolarHBondContact O-OH 3.29Å
274	L	98.9	Very high	97.9	Very high	11 Å²	11	29.8 Å²	29.8	6%	0.058	17%	0.165	C	C	.	.			trans	-114.8	-17.3	-177.9	-57.3	-178.3	0	0	0	112.1	L204 A207 T257 F258 W272 Y276	L204-L274 PolarHBondContact N-O 3.42Å; A207-L274 HydrophobicContact CB-CD2 4.4Å; T257-L274 PolarHBondContact OG1-N 3.3Å; F258-L274 HydrophobicContact CB-CD1 3.8Å; F258-L274 HydrophobicContact CB-CG 4.14Å; F258-L274 HydrophobicContact CD1-CD1 3.73Å; F258-L274 HydrophobicContact CE1-CD1 4.47Å; F258-L274 HydrophobicContact CG-CD1 3.81Å; W272-L274 HydrophobicContact CB-CD1 4.28Å; W272-L274 HydrophobicContact CB-CD2 3.91Å; W272-L274 HydrophobicContact CB-CG 3.82Å; W272-L274 HydrophobicContact CE3-CD2 4.26Å; L274-Y276 WeakPolarHBondContact O-CD2 3.33Å; L274-Y276 WeakPolarHBondContact O-CE2 3.4Å
275	D	98.9	Very high	98	Very high	3 Å²	3	27.9 Å²	27.9	2%	0.016	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	132.1	-178	-49.9	-101.4	0	0	0	109.5	G202 T257 H301 I304	G202-D275 VanDerWaalsContact O-CA 3.28Å; G202-D275 WeakPolarHBondContact O-CA 3.22Å; T257-D275 WeakPolarHBondContact CB-OD2 3.39Å; T257-D275 HydrophobicContact CG2-CB 4.09Å; T257-D275 PolarHBondContact OG1-N 3.15Å; T257-D275 VanDerWaalsContact OG1-N 3.12Å; T257-D275 PolarHBondContact OG1-OD2 3.14Å; D275-H301 IonicContact OD1-ND1 2.84Å; D275-H301 PolarHBondContact OD1-ND1 3.25Å; D275-H301 IonicContact OD2-CE1 2.87Å; D275-H301 IonicContact OD2-CG 3.74Å; D275-H301 IonicContact OD2-ND1 2.86Å; D275-H301 PolarHBondContact OD2-ND1 3.05Å; D275-I304 HydrophobicContact CB-CD1 3.81Å; D275-I304 HydrophobicContact CB-CG1 4.26Å; D275-I304 HydrophobicContact CB-CG2 4.23Å
276	Y	98.9	Very high	98.1	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.008	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	156.5	-172.2	-62.2	-99.8	0	0	0	112.3	C201 G202 L204 V206 H208 F233 D243 R273 L274 L278 I304	C201-Y276 WeakPolarHBondContact CA-O 3.34Å; G202-Y276 PolarHBondContact N-O 2.79Å; G202-Y276 PolarHBondContact O-N 2.85Å; L204-Y276 HydrophobicContact CB-CD2 3.85Å; L204-Y276 HydrophobicContact CB-CE2 4.22Å; L204-Y276 HydrophobicContact CD1-CD2 3.81Å; L204-Y276 HydrophobicContact CD1-CG 3.98Å; L204-Y276 HydrophobicContact CG-CD2 3.84Å; L204-Y276 HydrophobicContact CG-CG 4.43Å; V206-Y276 WeakPolarHBondContact O-CE2 3.42Å; V206-Y276 PolarHBondContact O-OH 2.99Å; H208-Y276 PolarHBondContact N-OH 2.78Å; F233-Y276 HydrophobicContact CE1-CE1 4.27Å; F233-Y276 HydrophobicContact CE2-CD1 4.01Å; F233-Y276 HydrophobicContact CE2-CD2 4.18Å; F233-Y276 AromaticContact CE2-CE1 3.89Å; F233-Y276 HydrophobicContact CE2-CE1 3.89Å; F233-Y276 HydrophobicContact CE2-CE2 4.09Å; F233-Y276 HydrophobicContact CE2-CG 4.16Å; F233-Y276 AromaticContact CE2-CZ 3.96Å; F233-Y276 AromaticContact CZ-CD1 3.58Å; F233-Y276 HydrophobicContact CZ-CD1 3.58Å; F233-Y276 AromaticContact CZ-CE1 3.42Å; F233-Y276 HydrophobicContact CZ-CE1 3.42Å; F233-Y276 VanDerWaalsContact CZ-CE1 3.42Å; F233-Y276 HydrophobicContact CZ-CE2 4.45Å; F233-Y276 HydrophobicContact CZ-CG 4.18Å; F233-Y276 AromaticContact CZ-CZ 3.92Å; D243-Y276 WeakPolarHBondContact OD2-CE1 3.27Å; R273-Y276 VanDerWaalsContact NH1-CD1 3.26Å; R273-Y276 PolarHBondContact O-OH 3.29Å; L274-Y276 WeakPolarHBondContact O-CD2 3.33Å; L274-Y276 WeakPolarHBondContact O-CE2 3.4Å; Y276-L278 HydrophobicContact CD1-CD2 4.19Å; Y276-L278 HydrophobicContact CG-CD2 4.42Å; Y276-I304 WeakPolarHBondContact O-CD1 3.46Å
277	F	98.9	Very high	98.1	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.009	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	112.5	151.4	-77.4	-78.7	0	0	0	107.6	I57 V199 L200 C201 S244 I304 L306	I57-F277 HydrophobicContact CB-CE1 3.99Å; I57-F277 HydrophobicContact CB-CZ 4.19Å; I57-F277 HydrophobicContact CG2-CE1 3.67Å; I57-F277 HydrophobicContact CG2-CZ 4.01Å; I57-F277 VanDerWaalsContact O-CZ 3.27Å; I57-F277 WeakPolarHBondContact O-CZ 3.43Å; V199-F277 HydrophobicContact CG1-CD1 3.81Å; V199-F277 HydrophobicContact CG1-CE1 4.4Å; L200-F277 CarbonylContact O-C 3.52Å; L200-F277 VanDerWaalsContact O-CA 3.31Å; L200-F277 WeakPolarHBondContact O-CA 3.22Å; C201-F277 HydrophobicContact CB-CD1 3.39Å; C201-F277 HydrophobicContact CB-CE1 3.3Å; C201-F277 HydrophobicContact CB-CG 4.26Å; C201-F277 HydrophobicContact CB-CZ 4.11Å; S244-F277 WeakPolarHBondContact CB-O 3.41Å; S244-F277 PolarHBondContact N-O 2.79Å; S244-F277 VanDerWaalsContact OG-CB 3.25Å; S244-F277 WeakPolarHBondContact OG-CB 3.49Å; S244-F277 PolarHBondContact OG-O 2.69Å; F277-I304 HydrophobicContact CD2-CB 4.41Å; F277-I304 HydrophobicContact CD2-CD1 3.64Å; F277-I304 HydrophobicContact CD2-CG1 4.01Å; F277-I304 HydrophobicContact CE2-CB 4.08Å; F277-I304 HydrophobicContact CE2-CD1 3.74Å; F277-I304 HydrophobicContact CE2-CG1 3.61Å; F277-I304 HydrophobicContact CG-CD1 4.43Å; F277-I304 HydrophobicContact CZ-CG1 4.42Å; F277-L306 HydrophobicContact CB-CD1 4.26Å; F277-L306 HydrophobicContact CD1-CB 3.84Å; F277-L306 HydrophobicContact CD1-CD2 3.9Å; F277-L306 HydrophobicContact CD1-CG 4.38Å; F277-L306 HydrophobicContact CD2-CB 3.79Å; F277-L306 HydrophobicContact CE1-CB 3.81Å; F277-L306 HydrophobicContact CE1-CD2 4.34Å; F277-L306 HydrophobicContact CE2-CB 3.75Å; F277-L306 HydrophobicContact CG-CB 3.84Å; F277-L306 HydrophobicContact CG-CD1 4.35Å; F277-L306 HydrophobicContact CG-CD2 4.28Å; F277-L306 HydrophobicContact CG-CG 4.39Å; F277-L306 HydrophobicContact CZ-CB 3.77Å
278	L	98.9	Very high	98.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	129.8	171.7	-51.8	-170.9	0	0	0	109	L200 L204 F233 L236 L237 F241 V242 D243 Y276	L200-L278 HydrophobicContact CB-CB 4.25Å; L200-L278 HydrophobicContact CD2-CB 4.43Å; L200-L278 HydrophobicContact CD2-CD1 4.02Å; L200-L278 HydrophobicContact CD2-CG 4.4Å; L200-L278 PolarHBondContact N-O 2.79Å; L200-L278 PolarHBondContact O-N 3.27Å; L204-L278 HydrophobicContact CD1-CD1 3.81Å; L204-L278 HydrophobicContact CD1-CG 4.12Å; F233-L278 HydrophobicContact CE2-CD1 4.08Å; F233-L278 HydrophobicContact CE2-CD2 4.49Å; F233-L278 HydrophobicContact CZ-CD1 4.16Å; F233-L278 HydrophobicContact CZ-CD2 3.93Å; L236-L278 HydrophobicContact CD2-CD1 3.55Å; L236-L278 HydrophobicContact CG-CD1 4.18Å; L237-L278 HydrophobicContact CD2-CD1 4.2Å; L237-L278 HydrophobicContact CD2-CD2 4.09Å; F241-L278 HydrophobicContact CB-CB 4.35Å; V242-L278 CarbonylContact O-C 3.58Å; V242-L278 VanDerWaalsContact O-CA 3.31Å; V242-L278 WeakPolarHBondContact O-CA 3.31Å; D243-L278 HydrophobicContact CB-CD2 3.92Å; Y276-L278 HydrophobicContact CD1-CD2 4.19Å; Y276-L278 HydrophobicContact CG-CD2 4.42Å
279	L	98.9	Very high	98.3	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	143.3	-175.1	-50.1	178.4	0	0	0	109.7	V199 F241 V242 S281 L283 L284 L287 L306	V199-L279 HydrophobicContact CB-CD2 4.16Å; V199-L279 HydrophobicContact CG1-CD2 3.8Å; V199-L279 HydrophobicContact CG2-CD2 3.69Å; F241-L279 CarbonylContact C-O 3.5Å; F241-L279 VanDerWaalsContact CA-O 3.32Å; F241-L279 WeakPolarHBondContact CA-O 3.37Å; V242-L279 PolarHBondContact N-O 3.12Å; V242-L279 PolarHBondContact O-N 2.74Å; L279-S281 PolarHBondContact O-N 3.25Å; L279-L283 HydrophobicContact CB-CB 4.38Å; L279-L284 HydrophobicContact CD1-CD2 4.35Å; L279-L287 HydrophobicContact CD1-CB 4.22Å; L279-L287 HydrophobicContact CD1-CD1 4.03Å; L279-L287 HydrophobicContact CD1-CD2 4.13Å; L279-L287 HydrophobicContact CD1-CG 4.35Å; L279-L306 HydrophobicContact CD1-CD1 4.46Å; L279-L306 HydrophobicContact CD2-CD1 4.43Å; L279-L306 HydrophobicContact CD2-CD2 3.79Å
280	S	98.7	Very high	98.4	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.7	138.8	159.4	-55.4	0	0	0	0	109.9	D193 L198 S282 L283	D193-S280 WeakPolarHBondContact OD1-CB 3.43Å; D193-S280 PolarHBondContact OD1-OG 3.31Å; L198-S280 PolarHBondContact N-OG 3.44Å; L198-S280 PolarHBondContact O-N 2.97Å; L198-S280 PolarHBondContact O-OG 3.38Å; S280-S282 PolarHBondContact O-N 3.34Å; S280-L283 WeakPolarHBondContact O-CB 3.33Å; S280-L283 PolarHBondContact O-N 2.66Å
281	S	96.9	Very high	98.4	Very high	60 Å²	60	16.2 Å²	16.2	42%	0.42	10%	0.099	S	C	.	.	G	3₁₀ helix	trans	-55.4	-29.8	-178.1	-66.4	0	0	0	0	113.2	G240 L279 L283 L284	G240-S281 PolarHBondContact O-N 2.8Å; G240-S281 VanDerWaalsContact O-N 3.09Å; G240-S281 PolarHBondContact O-OG 3.31Å; L279-S281 PolarHBondContact O-N 3.25Å; S281-L283 VanDerWaalsContact C-N 3.25Å; S281-L283 PolarHBondContact O-N 3.31Å; S281-L284 WeakPolarHBondContact O-CB 3.11Å; S281-L284 WeakPolarHBondContact O-CG 3.48Å; S281-L284 PolarHBondContact O-N 3.45Å
282	S	96.3	Very high	98.4	Very high	82 Å²	82	16.4 Å²	16.4	57%	0.573	10%	0.099	S	C	*	.	G	3₁₀ helix	trans	-66.3	-19.6	176.3	54.2	0	0	0	0	114.5	S280 P285	S280-S282 PolarHBondContact O-N 3.34Å; S282-P285 WeakPolarHBondContact O-CD 3.3Å
283	L	97.9	Very high	98.4	Very high	21 Å²	21	15.9 Å²	15.9	11%	0.11	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-87.9	-12.4	176.4	-65.5	179	0	0	0	113.3	F158 P197 L198 V199 L279 S280 S281 P285 G286 L287 I308	F158-L283 HydrophobicContact CB-CD1 4.47Å; P197-L283 HydrophobicContact CB-CD1 4.05Å; P197-L283 HydrophobicContact CB-CD2 3.85Å; P197-L283 HydrophobicContact CB-CG 3.74Å; P197-L283 HydrophobicContact CG-CD2 4Å; P197-L283 HydrophobicContact CG-CG 4.45Å; L198-L283 WeakPolarHBondContact O-CD1 3.43Å; V199-L283 HydrophobicContact CG2-CD1 3.7Å; L279-L283 HydrophobicContact CB-CB 4.38Å; S280-L283 WeakPolarHBondContact O-CB 3.33Å; S280-L283 PolarHBondContact O-N 2.66Å; S281-L283 VanDerWaalsContact C-N 3.25Å; S281-L283 PolarHBondContact O-N 3.31Å; L283-P285 VanDerWaalsContact C-CD 3.43Å; L283-G286 WeakPolarHBondContact O-CA 3.47Å; L283-G286 PolarHBondContact O-N 3.33Å; L283-L287 PolarHBondContact O-N 2.95Å; L283-I308 HydrophobicContact CB-CD1 4.2Å
284	L	97.3	Very high	98.4	Very high	41 Å²	41	17 Å²	17	22%	0.215	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-55.6	-38.7	-177.9	-71.9	-177.6	0	0	0	115	V242 E247 L279 S281 G286 L287	V242-L284 HydrophobicContact CB-CD1 4.24Å; V242-L284 HydrophobicContact CB-CD2 3.96Å; V242-L284 HydrophobicContact CB-CG 4.42Å; V242-L284 HydrophobicContact CG1-CD1 4.18Å; V242-L284 HydrophobicContact CG1-CD2 3.81Å; V242-L284 HydrophobicContact CG2-CD1 3.94Å; V242-L284 HydrophobicContact CG2-CG 4.49Å; E247-L284 HydrophobicContact CG-CD2 4.25Å; L279-L284 HydrophobicContact CD1-CD2 4.35Å; S281-L284 WeakPolarHBondContact O-CB 3.11Å; S281-L284 WeakPolarHBondContact O-CG 3.48Å; S281-L284 PolarHBondContact O-N 3.45Å; L284-G286 PolarHBondContact O-N 3.39Å; L284-G286 VanDerWaalsContact O-N 3.13Å; L284-L287 HydrophobicContact CD2-CD2 4.25Å; L284-L287 WeakPolarHBondContact O-CB 3.5Å; L284-L287 PolarHBondContact O-N 2.98Å
285	P	97.6	Very high	98.3	Very high	63 Å²	63	24.4 Å²	24.4	41%	0.409	14%	0.135	S	C	.	.	G	3₁₀ helix	trans	-58.6	-26.4	175.9	-25.6	36.3	0	0	0	113	S47 D49 R51 S282 L283	S47-P285 WeakPolarHBondContact CB-O 3.26Å; S47-P285 PolarHBondContact OG-O 3.34Å; D49-P285 WeakPolarHBondContact OD2-CB 3.21Å; R51-P285 PolarHBondContact NH2-O 3.1Å; S282-P285 WeakPolarHBondContact O-CD 3.3Å; L283-P285 VanDerWaalsContact C-CD 3.43Å
286	G	98	Very high	98.2	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.01	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-89.4	-9.1	178.7	0	0	0	0	0	114.6	L283 L284 C288 I308 A309	L283-G286 WeakPolarHBondContact O-CA 3.47Å; L283-G286 PolarHBondContact O-N 3.33Å; L284-G286 PolarHBondContact O-N 3.39Å; L284-G286 VanDerWaalsContact O-N 3.13Å; G286-C288 PolarHBondContact O-N 3.36Å; G286-C288 VanDerWaalsContact O-N 3.17Å; G286-C288 PolarHBondContact O-SG 3.29Å; G286-C288 VanDerWaalsContact O-SG 3.37Å; G286-I308 CarbonylContact O-C 3.54Å; G286-I308 WeakPolarHBondContact O-CA 3.11Å; G286-I308 WeakPolarHBondContact O-CG1 3.27Å; G286-A309 WeakPolarHBondContact CA-O 3.38Å; G286-A309 PolarHBondContact O-N 3.38Å
287	L	98.7	Very high	98.2	Very high	5 Å²	5	30.6 Å²	30.6	3%	0.026	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	116.3	179.1	175.6	57.7	0	0	0	110.2	S47 E247 L248 L279 L283 L284 L306	S47-L287 WeakPolarHBondContact CA-O 3.46Å; E247-L287 HydrophobicContact CG-CD2 4.23Å; L248-L287 HydrophobicContact CD1-CD1 4.13Å; L248-L287 HydrophobicContact CD1-CD2 4.01Å; L248-L287 HydrophobicContact CD1-CG 3.98Å; L248-L287 HydrophobicContact CD2-CD2 4.13Å; L248-L287 HydrophobicContact CD2-CG 4.31Å; L248-L287 HydrophobicContact CG-CD2 3.87Å; L248-L287 HydrophobicContact CG-CG 4.27Å; L279-L287 HydrophobicContact CD1-CB 4.22Å; L279-L287 HydrophobicContact CD1-CD1 4.03Å; L279-L287 HydrophobicContact CD1-CD2 4.13Å; L279-L287 HydrophobicContact CD1-CG 4.35Å; L283-L287 PolarHBondContact O-N 2.95Å; L284-L287 HydrophobicContact CD2-CD2 4.25Å; L284-L287 WeakPolarHBondContact O-CB 3.5Å; L284-L287 PolarHBondContact O-N 2.98Å; L287-L306 HydrophobicContact CD1-CD1 3.56Å
288	C	98.8	Very high	98.1	Very high	5 Å²	5	30.8 Å²	30.8	3%	0.034	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-52.4	177.4	-57.1	0	0	0	0	111.1	K44 S47 A53 G286 H307	K44-C288 CarbonylContact O-C 3.58Å; K44-C288 WeakPolarHBondContact O-CB 3.46Å; S47-C288 PolarHBondContact N-SG 3.37Å; A53-C288 HydrophobicContact CB-CB 4.11Å; G286-C288 PolarHBondContact O-N 3.36Å; G286-C288 VanDerWaalsContact O-N 3.17Å; G286-C288 PolarHBondContact O-SG 3.29Å; G286-C288 VanDerWaalsContact O-SG 3.37Å; C288-H307 WeakPolarHBondContact CA-O 3.14Å; C288-H307 HydrophobicContact CB-CB 3.94Å; C288-H307 VanDerWaalsContact CB-O 3.29Å; C288-H307 WeakPolarHBondContact CB-O 3.39Å; C288-H307 PolarHBondContact N-O 3.36Å
289	D	98.8	Very high	98.1	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	159.1	175.7	-146	-16.9	0	0	0	112.1	K44 Y249 K291 H307	K44-D289 HydrophobicContact CB-CB 4.15Å; K44-D289 PolarHBondContact N-OD2 3.37Å; K44-D289 WeakPolarHBondContact O-CB 3.41Å; Y249-D289 WeakPolarHBondContact CE2-OD1 3.35Å; Y249-D289 PolarHBondContact OH-OD1 2.86Å; Y249-D289 PolarHBondContact OH-OD2 2.91Å; D289-K291 HydrophobicContact CB-CD 3.81Å; D289-K291 WeakPolarHBondContact OD1-CD 3.39Å; D289-K291 IonicContact OD1-NZ 2.74Å; D289-K291 WeakPolarHBondContact OD2-CD 3.41Å; D289-K291 IonicContact OD2-NZ 3.84Å; D289-K291 PolarHBondContact OD2-NZ 3.24Å; D289-H307 HydrophobicContact CB-CB 4.29Å; D289-H307 PolarHBondContact N-O 3.25Å; D289-H307 VanDerWaalsContact N-O 3.16Å; D289-H307 PolarHBondContact O-N 3.5Å
290	S	98.8	Very high	98.1	Very high	4 Å²	4	32 Å²	32	3%	0.028	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	111.9	174.3	-174.4	0	0	0	0	108.4	S244 F245 T305	S244-S290 WeakPolarHBondContact OG-CB 3.44Å; S244-S290 PolarHBondContact OG-OG 3.21Å; F245-S290 VanDerWaalsContact CD2-O 3.28Å; F245-S290 WeakPolarHBondContact CD2-O 3.46Å; S290-T305 CarbonylContact C-O 3.51Å; S290-T305 WeakPolarHBondContact CA-O 3.47Å
291	K	98.9	Very high	98.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	152.4	-163.6	-46.5	-55.7	-60.3	-175.8	0	111.9	D40 P41 P42 D43 D289 I304 T305	D40-K291 WeakPolarHBondContact OD1-CE 3.49Å; D40-K291 IonicContact OD1-NZ 3.72Å; P41-K291 VanDerWaalsContact O-CE 3.26Å; P41-K291 WeakPolarHBondContact O-CE 3.38Å; P41-K291 PolarHBondContact O-NZ 2.64Å; P42-K291 PolarHBondContact O-NZ 2.91Å; P42-K291 VanDerWaalsContact O-NZ 3.16Å; D43-K291 WeakPolarHBondContact OD1-CE 3.37Å; D43-K291 IonicContact OD1-NZ 3.29Å; D289-K291 HydrophobicContact CB-CD 3.81Å; D289-K291 WeakPolarHBondContact OD1-CD 3.39Å; D289-K291 IonicContact OD1-NZ 2.74Å; D289-K291 WeakPolarHBondContact OD2-CD 3.41Å; D289-K291 IonicContact OD2-NZ 3.84Å; D289-K291 PolarHBondContact OD2-NZ 3.24Å; K291-I304 WeakPolarHBondContact O-CA 3.48Å; K291-I304 WeakPolarHBondContact O-CB 3.17Å; K291-T305 PolarHBondContact N-O 2.95Å; K291-T305 PolarHBondContact O-N 2.95Å
292	I	98.9	Very high	98.2	Very high	3 Å²	3	29.5 Å²	29.5	2%	0.015	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	107.2	170.3	-65.6	175.3	0	0	0	107.3	Y38 D40 F245 A255 Y256 T257 N294 I304	Y38-I292 HydrophobicContact CE1-CB 3.92Å; Y38-I292 HydrophobicContact CE1-CG2 4.18Å; D40-I292 WeakPolarHBondContact CB-O 3.26Å; D40-I292 PolarHBondContact OD1-N 2.94Å; F245-I292 HydrophobicContact CD2-CD1 3.83Å; F245-I292 HydrophobicContact CD2-CG1 3.92Å; F245-I292 HydrophobicContact CE1-CD1 4.26Å; F245-I292 HydrophobicContact CE2-CB 4.5Å; F245-I292 HydrophobicContact CE2-CD1 3.49Å; F245-I292 VanDerWaalsContact CE2-CD1 3.49Å; F245-I292 HydrophobicContact CE2-CG1 3.7Å; F245-I292 HydrophobicContact CG-CD1 4.35Å; F245-I292 HydrophobicContact CZ-CD1 3.73Å; F245-I292 HydrophobicContact CZ-CG1 4.41Å; A255-I292 HydrophobicContact CB-CD1 3.98Å; Y256-I292 WeakPolarHBondContact O-CG2 3.4Å; T257-I292 HydrophobicContact CG2-CD1 4.07Å; T257-I292 HydrophobicContact CG2-CG1 4.08Å; T257-I292 HydrophobicContact CG2-CG2 4.1Å; I292-N294 HydrophobicContact CG2-CB 4.24Å; I292-N294 PolarHBondContact O-N 2.9Å; I292-I304 HydrophobicContact CG1-CG2 4.07Å
293	R	98.7	Very high	98.3	Very high	29 Å²	29	25.6 Å²	25.6	11%	0.109	13%	0.131	C	C	.	.			trans	-82.9	59.2	-174.3	-55.2	-60.7	-163.3	-162.1	6.4	110.7	D40 D43 W76 E80 K295 A296 P303	D40-R293 WeakPolarHBondContact OD2-CD 3.47Å; D40-R293 IonicContact OD2-CZ 3.7Å; D40-R293 IonicContact OD2-NH1 2.85Å; D40-R293 PolarHBondContact OD2-NH1 3.42Å; D43-R293 IonicContact OD1-CZ 2.78Å; D43-R293 IonicContact OD1-NH1 3.94Å; D43-R293 PolarHBondContact OD1-NH1 3.37Å; D43-R293 IonicContact OD1-NH2 3.81Å; D43-R293 PolarHBondContact OD1-NH2 3.21Å; D43-R293 VanDerWaalsContact OD1-NH2 3.14Å; D43-R293 IonicContact OD2-CZ 2.73Å; D43-R293 IonicContact OD2-NH1 2.73Å; D43-R293 IonicContact OD2-NH2 2.85Å; D43-R293 PolarHBondContact OD2-NH2 3.17Å; W76-R293 HydrophobicContact CH2-CB 4.33Å; W76-R293 HydrophobicContact CH2-CG 4.02Å; W76-R293 HydrophobicContact CZ2-CB 3.74Å; W76-R293 HydrophobicContact CZ2-CG 3.68Å; E80-R293 IonicContact OE1-CZ 2.94Å; E80-R293 IonicContact OE1-NE 3.71Å; E80-R293 PolarHBondContact OE1-NE 3.01Å; E80-R293 IonicContact OE1-NH2 3Å; E80-R293 PolarHBondContact OE1-NH2 2.86Å; E80-R293 IonicContact OE2-NE 2.79Å; E80-R293 IonicContact OE2-NH2 3.76Å; R293-K295 PolarHBondContact O-N 2.95Å; R293-A296 HydrophobicContact CB-CB 4.38Å; R293-A296 WeakPolarHBondContact O-CB 3.44Å; R293-A296 PolarHBondContact O-N 3.42Å; R293-P303 HydrophobicContact CB-CG 3.88Å; R293-P303 WeakPolarHBondContact CB-O 3.05Å; R293-P303 HydrophobicContact CG-CG 4.46Å; R293-P303 PolarHBondContact N-O 3.47Å
294	N	97.6	Very high	98.4	Very high	25 Å²	25	24.9 Å²	24.9	13%	0.134	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-21.8	-165.6	70.9	-55.2	0	0	0	115.3	Y38 W259 R266 I292	Y38-N294 HydrophobicContact CD1-CB 3.92Å; Y38-N294 HydrophobicContact CE1-CB 4.49Å; Y38-N294 PolarHBondContact O-ND2 2.74Å; W259-N294 HydrophobicContact CH2-CB 4.17Å; R266-N294 PolarHBondContact NH2-O 3.42Å; I292-N294 HydrophobicContact CG2-CB 4.24Å; I292-N294 PolarHBondContact O-N 2.9Å
295	K	97.6	Very high	98.4	Very high	167 Å²	167	22.9 Å²	22.9	73%	0.726	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-18.1	177.1	-64.5	-179.8	-179.3	173.9	0	113.7	R293 M297	R293-K295 PolarHBondContact O-N 2.95Å; K295-M297 PolarHBondContact O-N 2.94Å
296	A	98.1	Very high	98.5	Very high	8 Å²	8	19.9 Å²	19.9	7%	0.066	10%	0.097	C	C	.	.			trans	-72.3	121.2	-177.8	0	0	0	0	0	111.2	W60 W76 R266 R293 P303	W60-A296 HydrophobicContact CH2-CB 4.36Å; W76-A296 HydrophobicContact CD2-CB 4.06Å; W76-A296 HydrophobicContact CG-CB 4.14Å; W76-A296 HydrophobicContact CZ2-CB 4.19Å; R266-A296 PolarHBondContact NH2-O 2.74Å; R293-A296 HydrophobicContact CB-CB 4.38Å; R293-A296 WeakPolarHBondContact O-CB 3.44Å; R293-A296 PolarHBondContact O-N 3.42Å; A296-P303 HydrophobicContact CB-CG 3.76Å
297	M	97.9	Very high	98.5	Very high	126 Å²	126	20 Å²	20	62%	0.621	10%	0.097	S	C	*	.			trans	-97.1	165.6	-177.7	-59.6	-61.6	-71.4	0	0	111	W60 K295	W60-M297 VanDerWaalsContact CH2-O 3.31Å; W60-M297 WeakPolarHBondContact CH2-O 3.32Å; K295-M297 PolarHBondContact O-N 2.94Å
298	G	97.3	Very high	98.5	Very high	7 Å²	7	19.8 Å²	19.8	7%	0.072	10%	0.096	C	C	.	.	S	Bend	trans	138.3	-31.8	176.5	0	0	0	0	0	112.8	K71	K71-G298 WeakPolarHBondContact CD-O 3.45Å; K71-G298 PolarHBondContact NZ-O 3.24Å
299	S	98.6	Very high	98.5	Very high	3 Å²	3	19.8 Å²	19.8	2%	0.021	10%	0.097	C	C	.	.	S	Bend	trans	-131.7	167.7	178.3	174.1	0	0	0	0	110.1	N61 R266 H301	N61-S299 VanDerWaalsContact O-CB 3.27Å; N61-S299 WeakPolarHBondContact O-CB 3.43Å; N61-S299 PolarHBondContact O-OG 2.82Å; R266-S299 PolarHBondContact NH1-O 2.98Å; S299-H301 CarbonylContact C-O 3.57Å; S299-H301 WeakPolarHBondContact CB-O 3.47Å; S299-H301 PolarHBondContact OG-N 2.92Å
300	D	98.6	Very high	98.1	Very high	23 Å²	23	22 Å²	22	12%	0.123	11%	0.11	C	C	.	.	S	Bend	trans	-71	-14.5	163.6	47.9	-1.3	0	0	0	111.9	D63 F258 W259 Y261	D63-D300 WeakPolarHBondContact CB-OD1 3.4Å; F258-D300 WeakPolarHBondContact CA-O 3.26Å; F258-D300 HydrophobicContact CD2-CB 4.26Å; F258-D300 HydrophobicContact CE2-CB 4.1Å; F258-D300 WeakPolarHBondContact CE2-OD2 3.33Å; W259-D300 PolarHBondContact N-O 3.12Å; W259-D300 WeakPolarHBondContact O-CB 3.49Å; Y261-D300 HydrophobicContact CD1-CB 4.32Å; Y261-D300 HydrophobicContact CD2-CB 3.94Å; Y261-D300 HydrophobicContact CE1-CB 3.97Å; Y261-D300 HydrophobicContact CE2-CB 3.55Å; Y261-D300 HydrophobicContact CG-CB 4.32Å; Y261-D300 PolarHBondContact OH-N 3.3Å
301	H	98.9	Very high	98.1	Very high	7 Å²	7	22.9 Å²	22.9	3%	0.032	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	-93.3	153.4	162.1	-64.3	-116.7	0	0	0	112.4	W60 N61 D203 T257 F258 D275 S299	W60-H301 PolarHBondContact NE1-O 3.07Å; N61-H301 HydrophobicContact CB-CB 4.02Å; N61-H301 WeakPolarHBondContact O-CB 3.49Å; D203-H301 IonicContact OD2-CE1 3.25Å; D203-H301 IonicContact OD2-NE2 3.38Å; T257-H301 CarbonylContact O-C 3.59Å; T257-H301 WeakPolarHBondContact O-CA 3.42Å; F258-H301 AromaticContact CD2-CD2 3.57Å; F258-H301 AromaticContact CD2-CE1 3.87Å; F258-H301 AromaticContact CD2-NE2 3.3Å; F258-H301 VanDerWaalsContact CD2-NE2 3.3Å; F258-H301 WeakPolarHBondContact CD2-NE2 3.4Å; F258-H301 AromaticContact CG-NE2 3.97Å; D275-H301 IonicContact OD1-ND1 2.84Å; D275-H301 PolarHBondContact OD1-ND1 3.25Å; D275-H301 IonicContact OD2-CE1 2.87Å; D275-H301 IonicContact OD2-CG 3.74Å; D275-H301 IonicContact OD2-ND1 2.86Å; D275-H301 PolarHBondContact OD2-ND1 3.05Å; S299-H301 CarbonylContact C-O 3.57Å; S299-H301 WeakPolarHBondContact CB-O 3.47Å; S299-H301 PolarHBondContact OG-N 2.92Å
302	C	98.8	Very high	98.1	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.12	C	C	.	.			trans	-104.2	153.7	162.5	73.3	0	0	0	0	110.5	T257 W259	T257-C302 PolarHBondContact O-N 3.21Å; W259-C302 HydrophobicContact CH2-CB 4.44Å; W259-C302 HydrophobicContact CZ3-CB 3.97Å
303	P	98.9	Very high	98	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.126	C	C	.	.			trans	-68.1	149.8	176.7	18.4	-13.5	0	0	0	111.3	T58 S59 W60 W76 R293 A296	T58-P303 HydrophobicContact CG2-CB 3.89Å; S59-P303 WeakPolarHBondContact O-CA 3.46Å; W60-P303 HydrophobicContact CB-CB 4Å; W60-P303 HydrophobicContact CD2-CB 3.7Å; W60-P303 HydrophobicContact CD2-CG 3.69Å; W60-P303 VanDerWaalsContact CE2-CD 3.49Å; W60-P303 HydrophobicContact CE3-CB 3.9Å; W60-P303 HydrophobicContact CE3-CG 3.74Å; W60-P303 HydrophobicContact CG-CB 3.76Å; W60-P303 HydrophobicContact CG-CG 4.24Å; W60-P303 HydrophobicContact CH2-CG 4.13Å; W60-P303 HydrophobicContact CZ2-CG 4.1Å; W60-P303 HydrophobicContact CZ3-CG 3.96Å; W76-P303 HydrophobicContact CD2-CG 4.16Å; W76-P303 HydrophobicContact CE3-CG 3.9Å; W76-P303 HydrophobicContact CH2-CB 3.49Å; W76-P303 VanDerWaalsContact CH2-CB 3.49Å; W76-P303 HydrophobicContact CH2-CG 3.21Å; W76-P303 HydrophobicContact CZ2-CB 4.26Å; W76-P303 HydrophobicContact CZ2-CG 3.52Å; W76-P303 HydrophobicContact CZ3-CB 3.64Å; W76-P303 HydrophobicContact CZ3-CG 3.42Å; W76-P303 VanDerWaalsContact CZ3-CG 3.42Å; R293-P303 HydrophobicContact CB-CG 3.88Å; R293-P303 WeakPolarHBondContact CB-O 3.05Å; R293-P303 HydrophobicContact CG-CG 4.46Å; R293-P303 PolarHBondContact N-O 3.47Å; A296-P303 HydrophobicContact CB-CG 3.76Å
304	I	98.9	Very high	98	Very high	5 Å²	5	25 Å²	25	3%	0.026	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	147.4	167	56.8	170.2	0	0	0	109.3	T58 S59 T257 D275 Y276 F277 K291 I292	T58-I304 CarbonylContact C-O 3.45Å; T58-I304 VanDerWaalsContact CA-O 3.3Å; T58-I304 WeakPolarHBondContact CA-O 3.25Å; S59-I304 PolarHBondContact N-O 2.86Å; S59-I304 PolarHBondContact O-N 3.31Å; T257-I304 HydrophobicContact CG2-CG2 3.51Å; D275-I304 HydrophobicContact CB-CD1 3.81Å; D275-I304 HydrophobicContact CB-CG1 4.26Å; D275-I304 HydrophobicContact CB-CG2 4.23Å; Y276-I304 WeakPolarHBondContact O-CD1 3.46Å; F277-I304 HydrophobicContact CD2-CB 4.41Å; F277-I304 HydrophobicContact CD2-CD1 3.64Å; F277-I304 HydrophobicContact CD2-CG1 4.01Å; F277-I304 HydrophobicContact CE2-CB 4.08Å; F277-I304 HydrophobicContact CE2-CD1 3.74Å; F277-I304 HydrophobicContact CE2-CG1 3.61Å; F277-I304 HydrophobicContact CG-CD1 4.43Å; F277-I304 HydrophobicContact CZ-CG1 4.42Å; K291-I304 WeakPolarHBondContact O-CA 3.48Å; K291-I304 WeakPolarHBondContact O-CB 3.17Å; I292-I304 HydrophobicContact CG1-CG2 4.07Å
305	T	98.9	Very high	98	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	131.2	-177.5	-64.3	0	0	0	0	111.3	K56 I57 T58 E80 S290 K291	K56-T305 HydrophobicContact CD-CG2 4.25Å; K56-T305 VanDerWaalsContact CE-CG2 3.47Å; K56-T305 HydrophobicContact CG-CG2 3.73Å; I57-T305 CarbonylContact O-C 3.52Å; I57-T305 VanDerWaalsContact O-CA 3.32Å; I57-T305 WeakPolarHBondContact O-CA 3.46Å; T58-T305 PolarHBondContact OG1-OG1 2.9Å; E80-T305 WeakPolarHBondContact OE1-CB 3.39Å; E80-T305 WeakPolarHBondContact OE1-CG2 3.19Å; E80-T305 PolarHBondContact OE1-OG1 3.1Å; S290-T305 CarbonylContact C-O 3.51Å; S290-T305 WeakPolarHBondContact CA-O 3.47Å; K291-T305 PolarHBondContact N-O 2.95Å; K291-T305 PolarHBondContact O-N 2.95Å
306	L	98.9	Very high	98	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	131.5	174.1	-175.2	71.6	0	0	0	109.9	K56 I57 V199 F277 L279 L287 I308	K56-L306 WeakPolarHBondContact CA-O 3.3Å; I57-L306 HydrophobicContact CB-CB 4.37Å; I57-L306 HydrophobicContact CD1-CD2 4.39Å; I57-L306 PolarHBondContact N-O 2.72Å; I57-L306 PolarHBondContact O-N 2.98Å; V199-L306 HydrophobicContact CG1-CD2 3.86Å; V199-L306 HydrophobicContact CG2-CD2 4.44Å; F277-L306 HydrophobicContact CB-CD1 4.26Å; F277-L306 HydrophobicContact CD1-CB 3.84Å; F277-L306 HydrophobicContact CD1-CD2 3.9Å; F277-L306 HydrophobicContact CD1-CG 4.38Å; F277-L306 HydrophobicContact CD2-CB 3.79Å; F277-L306 HydrophobicContact CE1-CB 3.81Å; F277-L306 HydrophobicContact CE1-CD2 4.34Å; F277-L306 HydrophobicContact CE2-CB 3.75Å; F277-L306 HydrophobicContact CG-CB 3.84Å; F277-L306 HydrophobicContact CG-CD1 4.35Å; F277-L306 HydrophobicContact CG-CD2 4.28Å; F277-L306 HydrophobicContact CG-CG 4.39Å; F277-L306 HydrophobicContact CZ-CB 3.77Å; L279-L306 HydrophobicContact CD1-CD1 4.46Å; L279-L306 HydrophobicContact CD2-CD1 4.43Å; L279-L306 HydrophobicContact CD2-CD2 3.79Å; L287-L306 HydrophobicContact CD1-CD1 3.56Å; L306-I308 HydrophobicContact CD2-CB 4.3Å; L306-I308 HydrophobicContact CD2-CD1 4.45Å; L306-I308 HydrophobicContact CD2-CG2 4.23Å; L306-I308 HydrophobicContact CG-CB 4.3Å
307	H	98.8	Very high	98	Very high	3 Å²	3	16.1 Å²	16.1	1%	0.014	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	120.8	165.8	-67.3	-89.1	0	0	0	108.5	D43 M45 A53 C288 D289	D43-H307 IonicContact OD2-CE1 3.74Å; D43-H307 IonicContact OD2-NE2 2.64Å; D43-H307 PolarHBondContact OD2-NE2 2.82Å; M45-H307 PolarHBondContact SD-ND1 2.94Å; M45-H307 VanDerWaalsContact SD-ND1 3.39Å; A53-H307 HydrophobicContact CB-CB 4.02Å; C288-H307 WeakPolarHBondContact CA-O 3.14Å; C288-H307 HydrophobicContact CB-CB 3.94Å; C288-H307 VanDerWaalsContact CB-O 3.29Å; C288-H307 WeakPolarHBondContact CB-O 3.39Å; C288-H307 PolarHBondContact N-O 3.36Å; D289-H307 HydrophobicContact CB-CB 4.29Å; D289-H307 PolarHBondContact N-O 3.25Å; D289-H307 VanDerWaalsContact N-O 3.16Å; D289-H307 PolarHBondContact O-N 3.5Å
308	I	98.5	Very high	98	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	146.6	-175.8	-165	170.9	0	0	0	111.4	A53 N54 M55 L283 G286 L306 V310	A53-I308 WeakPolarHBondContact CA-O 3.42Å; N54-I308 PolarHBondContact N-O 3.43Å; N54-I308 PolarHBondContact OD1-O 3.01Å; N54-I308 VanDerWaalsContact OD1-O 3.13Å; M55-I308 HydrophobicContact CB-CG2 3.79Å; M55-I308 HydrophobicContact CG-CG2 4.14Å; M55-I308 PolarHBondContact N-O 3.04Å; M55-I308 VanDerWaalsContact N-O 3.12Å; M55-I308 PolarHBondContact O-N 3.2Å; M55-I308 VanDerWaalsContact O-N 3.09Å; L283-I308 HydrophobicContact CB-CD1 4.2Å; G286-I308 CarbonylContact O-C 3.54Å; G286-I308 WeakPolarHBondContact O-CA 3.11Å; G286-I308 WeakPolarHBondContact O-CG1 3.27Å; L306-I308 HydrophobicContact CD2-CB 4.3Å; L306-I308 HydrophobicContact CD2-CD1 4.45Å; L306-I308 HydrophobicContact CD2-CG2 4.23Å; L306-I308 HydrophobicContact CG-CB 4.3Å; I308-V310 HydrophobicContact CB-CG1 4.49Å; I308-V310 HydrophobicContact CD1-CG1 3.93Å; I308-V310 HydrophobicContact CG1-CG1 3.96Å; I308-V310 HydrophobicContact CG2-CG1 3.85Å
309	A	98	Very high	98.1	Very high	6 Å²	6	7.7 Å²	7.7	5%	0.05	5%	0.045	C	C	.	.			trans	-101	102.4	168.6	0	0	0	0	0	108.9	R51 S52 N54 G286	R51-A309 HydrophobicContact CB-CB 3.66Å; R51-A309 PolarHBondContact NH1-O 2.79Å; S52-A309 WeakPolarHBondContact O-CB 3.42Å; N54-A309 WeakPolarHBondContact OD1-CA 3.38Å; G286-A309 WeakPolarHBondContact CA-O 3.38Å; G286-A309 PolarHBondContact O-N 3.38Å
310	V	91.3	Very high	98	Very high	45 Å²	45	8.1 Å²	8.1	27%	0.273	5%	0.047	S	C	.	.			trans	-106.1	0	179.9	-67.8	0	0	0	0	113.1	N54 M55 N157 F158 I308	N54-V310 PolarHBondContact ND2-O 3.09Å; N54-V310 WeakPolarHBondContact OD1-CG2 3.41Å; N54-V310 PolarHBondContact OD1-N 3.22Å; M55-V310 HydrophobicContact CB-CG2 4.07Å; M55-V310 HydrophobicContact CE-CG2 3.94Å; N157-V310 PolarHBondContact ND2-OXT 2.78Å; F158-V310 HydrophobicContact CD1-CB 4.3Å; F158-V310 HydrophobicContact CD1-CG1 4.07Å; F158-V310 HydrophobicContact CD1-CG2 4.47Å; F158-V310 HydrophobicContact CE1-CB 4.45Å; F158-V310 HydrophobicContact CE1-CG1 4.23Å; F158-V310 HydrophobicContact CE1-CG2 4.17Å; I308-V310 HydrophobicContact CB-CG1 4.49Å; I308-V310 HydrophobicContact CD1-CG1 3.93Å; I308-V310 HydrophobicContact CG1-CG1 3.96Å; I308-V310 HydrophobicContact CG2-CG1 3.85Å

Retrieved 310 of 310 residues in 727.3 ms (Link to these results)

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