A0A087XLE3_POEFO Loading...

Regucalcin

AlphaFold DB , UniProt , Accession A0A087XLE3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 363 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.9	Very low	36.5	Very low	172 Å²	172	117.6 Å²	117.6	85%	0.847	61%	0.608	S	S	*	*				0	-15.8	0	-83.3	-177.8	-160	0	0	114.4	W3	M1-W3 PolarHBondContact O-N 3.18Å
2	I	41.8	Very low	36.5	Very low	40 Å²	40	117.1 Å²	117.1	21%	0.205	62%	0.617	C	S	.	*	T	Hydrogen-bonded Turn	trans	-60.1	-26.8	174.5	-68.1	160.5	0	0	0	113.4	M184 A188 I216	I2-M184 HydrophobicContact CD1-CE 3.75Å; I2-M184 HydrophobicContact CG1-CE 4.43Å; I2-A188 HydrophobicContact CG1-CB 4.49Å; I2-I216 HydrophobicContact CG2-CD1 3.65Å
3	W	43.4	Very low	36	Very low	34 Å²	34	114.5 Å²	114.5	13%	0.129	64%	0.636	C	S	.	*	T	Hydrogen-bonded Turn	trans	-100.8	0.3	-167.5	-56.6	104.9	0	0	0	115.5	M1 Q5 L235 V266 Y283	M1-W3 PolarHBondContact O-N 3.18Å; W3-Q5 PolarHBondContact O-N 3.37Å; W3-L235 HydrophobicContact CZ3-CD2 4.32Å; W3-V266 HydrophobicContact CE3-CB 4.37Å; W3-V266 HydrophobicContact CE3-CG2 3.96Å; W3-V266 HydrophobicContact CH2-CB 3.74Å; W3-V266 HydrophobicContact CH2-CG1 3.59Å; W3-V266 HydrophobicContact CH2-CG2 4.24Å; W3-V266 HydrophobicContact CZ3-CB 3.48Å; W3-V266 VanDerWaalsContact CZ3-CB 3.48Å; W3-V266 HydrophobicContact CZ3-CG1 3.45Å; W3-V266 VanDerWaalsContact CZ3-CG1 3.45Å; W3-V266 HydrophobicContact CZ3-CG2 3.46Å; W3-V266 VanDerWaalsContact CZ3-CG2 3.46Å; W3-Y283 HydrophobicContact CB-CE1 4.09Å; W3-Y283 AromaticContact CD1-CD1 3.87Å; W3-Y283 AromaticContact CD1-CE1 3.03Å; W3-Y283 AromaticContact CD1-CZ 3.19Å; W3-Y283 AromaticContact CD2-CD1 3.46Å; W3-Y283 HydrophobicContact CD2-CD1 3.46Å; W3-Y283 VanDerWaalsContact CD2-CD1 3.46Å; W3-Y283 AromaticContact CD2-CE1 3.43Å; W3-Y283 HydrophobicContact CD2-CE1 3.43Å; W3-Y283 VanDerWaalsContact CD2-CE1 3.43Å; W3-Y283 HydrophobicContact CD2-CG 4.32Å; W3-Y283 AromaticContact CE2-CD1 3.24Å; W3-Y283 AromaticContact CE2-CE1 3.28Å; W3-Y283 AromaticContact CE2-CG 3.68Å; W3-Y283 AromaticContact CE2-CZ 3.69Å; W3-Y283 HydrophobicContact CE3-CD1 4.06Å; W3-Y283 HydrophobicContact CE3-CE1 4.4Å; W3-Y283 AromaticContact CG-CD1 3.81Å; W3-Y283 HydrophobicContact CG-CD1 3.81Å; W3-Y283 AromaticContact CG-CE1 3.24Å; W3-Y283 HydrophobicContact CG-CE1 3.24Å; W3-Y283 AromaticContact CG-CZ 3.91Å; W3-Y283 HydrophobicContact CH2-CD1 4.18Å; W3-Y283 HydrophobicContact CH2-CG 4.23Å; W3-Y283 AromaticContact CZ2-CD1 3.59Å; W3-Y283 HydrophobicContact CZ2-CD1 3.59Å; W3-Y283 HydrophobicContact CZ2-CD2 4.02Å; W3-Y283 HydrophobicContact CZ2-CE1 4.08Å; W3-Y283 HydrophobicContact CZ2-CE2 4.43Å; W3-Y283 AromaticContact CZ2-CG 3.57Å; W3-Y283 HydrophobicContact CZ2-CG 3.57Å; W3-Y283 HydrophobicContact CZ3-CD1 4.43Å; W3-Y283 AromaticContact NE1-CD1 3.54Å; W3-Y283 AromaticContact NE1-CE1 3.04Å; W3-Y283 AromaticContact NE1-CE2 3.55Å; W3-Y283 AromaticContact NE1-CZ 3.02Å; W3-Y283 PolarHBondContact NE1-OH 3.29Å
4	A	37.2	Very low	35.4	Very low	71 Å²	71	112.5 Å²	112.5	59%	0.587	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-72.2	-25.5	-175.8	0	0	0	0	0	113.5	A6	A4-A6 VanDerWaalsContact C-N 3.34Å; A4-A6 PolarHBondContact O-N 3.48Å
5	Q	34.7	Very low	34.8	Very low	122 Å²	122	110.6 Å²	110.6	57%	0.57	67%	0.668	S	S	*	*	G	3₁₀ helix	trans	-74.7	-17.9	-178.3	-81.5	176.3	-9.1	0	0	114.1	W3 R7 A188	W3-Q5 PolarHBondContact O-N 3.37Å; Q5-R7 PolarHBondContact O-N 2.61Å; Q5-A188 PolarHBondContact NE2-O 2.83Å
6	A	39.1	Very low	34.4	Very low	70 Å²	70	110.9 Å²	110.9	58%	0.579	68%	0.677	S	S	*	*	G	3₁₀ helix	trans	-70.7	-18.5	177.3	0	0	0	0	0	113.3	A4	A4-A6 VanDerWaalsContact C-N 3.34Å; A4-A6 PolarHBondContact O-N 3.48Å
7	R	37.1	Very low	34.1	Very low	203 Å²	203	113.3 Å²	113.3	77%	0.766	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-84.1	-19.3	-176.5	-72.8	-170.3	-174.9	-160.1	5.4	114.8	Q5 L9	Q5-R7 PolarHBondContact O-N 2.61Å; R7-L9 PolarHBondContact O-N 2.95Å
8	S	30.6	Very low	33.9	Very low	102 Å²	102	120.8 Å²	120.8	71%	0.713	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	16.5	-167.6	86.9	0	0	0	0	116
9	L	34.8	Very low	33.5	Very low	156 Å²	156	118.7 Å²	118.7	82%	0.817	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.6	16.8	-177.6	-76.7	173.6	0	0	0	115	R7	R7-L9 PolarHBondContact O-N 2.95Å
10	R	35.6	Very low	33.2	Very low	164 Å²	164	116.7 Å²	116.7	62%	0.619	72%	0.717	S	S	*	*			trans	-139.1	110.1	-178.1	-59.9	-178.3	-158	-120	-1.2	112.7	E262	R10-E262 IonicContact CZ-OE1 3.34Å; R10-E262 IonicContact NH1-OE1 2.69Å; R10-E262 PolarHBondContact NH1-OE1 2.69Å; R10-E262 IonicContact NH1-OE2 3.18Å; R10-E262 PolarHBondContact NH1-OE2 2.84Å
11	D	28.3	Very low	33	Very low	160 Å²	160	118.4 Å²	118.4	86%	0.856	73%	0.727	S	S	*	*			trans	-136.4	115	151.6	-158.5	7.1	0	0	0	108.3
12	P	36.8	Very low	32.4	Very low	111 Å²	111	114 Å²	114	72%	0.721	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-103.1	131.8	177.1	34.4	-24.3	0	0	0	111.4
13	G	29.6	Very low	31.7	Very low	84 Å²	84	115.6 Å²	115.6	87%	0.866	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-59.9	134.7	171.3	0	0	0	0	0	112.4
14	G	28	Very low	30.8	Very low	86 Å²	86	125.5 Å²	125.5	89%	0.887	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-80.3	170.8	-175.7	0	0	0	0	0	115.9
15	G	26.5	Very low	31.1	Very low	84 Å²	84	126.9 Å²	126.9	87%	0.866	79%	0.785	S	S	*	*			trans	179.9	106.7	169	0	0	0	0	0	111.9
16	S	28.6	Very low	30.8	Very low	116 Å²	116	126.7 Å²	126.7	81%	0.811	79%	0.792	S	S	*	*			trans	-91.5	142.6	175.5	62.2	0	0	0	0	112
17	V	29.6	Very low	30.2	Very low	151 Å²	151	128.6 Å²	128.6	92%	0.915	80%	0.801	S	S	*	*			trans	-146.5	135.8	152.4	-174.8	0	0	0	0	111
18	R	29.1	Very low	29.9	Very low	248 Å²	248	122.4 Å²	122.4	94%	0.936	79%	0.794	S	S	*	*			trans	-93.3	162.3	176.8	-69.9	-179.1	177.6	-159.6	-0.2	112.3
19	G	26.8	Very low	29.8	Very low	82 Å²	82	124.5 Å²	124.5	85%	0.845	80%	0.797	S	S	*	*			trans	142	138.6	154.1	0	0	0	0	0	110.9
20	G	27	Very low	29.6	Very low	78 Å²	78	123 Å²	123	80%	0.804	79%	0.794	S	S	*	*			cis	179.1	153.4	5	0	0	0	0	0	107
21	V	30.5	Very low	29.2	Very low	152 Å²	152	124.5 Å²	124.5	92%	0.921	81%	0.808	S	S	*	*			trans	-89.5	146.4	-173.9	-169.9	0	0	0	0	110.2
22	G	26.4	Very low	29.5	Very low	79 Å²	79	123.7 Å²	123.7	81%	0.814	81%	0.809	S	S	*	*			trans	-153	134.5	167	0	0	0	0	0	110.6
23	A	26.2	Very low	29.1	Very low	75 Å²	75	122.2 Å²	122.2	62%	0.62	81%	0.814	S	S	*	*			trans	-134.8	151.8	-166.5	0	0	0	0	0	112.4
24	W	24.7	Very low	29.2	Very low	241 Å²	241	129.7 Å²	129.7	91%	0.913	82%	0.816	S	S	*	*			trans	70.7	166.1	153.6	-64.2	114.4	0	0	0	119.5
25	P	43.9	Very low	29.2	Very low	100 Å²	100	136 Å²	136	65%	0.649	82%	0.819	S	S	*	*			cis	-143.4	-166.8	-16.3	23.1	3.9	0	0	0	116
26	V	26.9	Very low	29.2	Very low	118 Å²	118	135 Å²	135	72%	0.715	81%	0.81	S	S	*	*			trans	98.6	103.8	143.6	-164.9	0	0	0	0	117.4
27	S	27.2	Very low	29.4	Very low	111 Å²	111	138.5 Å²	138.5	78%	0.776	81%	0.813	S	S	*	*				78.4	152.7	88.7	105.6	0	0	0	0	114.5
28	A	29.9	Very low	29.5	Very low	73 Å²	73	139.5 Å²	139.5	60%	0.603	81%	0.813	S	S	*	*			cis	-167.4	174.8	-1.4	0	0	0	0	0	109.4
29	D	28.5	Very low	29.8	Very low	145 Å²	145	135.3 Å²	135.3	78%	0.775	81%	0.809	S	S	*	*			trans	66.1	112	150.6	-57.8	-24.9	0	0	0	121.5
30	V	31.5	Very low	30.3	Very low	124 Å²	124	136.8 Å²	136.8	75%	0.752	81%	0.805	S	S	*	*				75.9	117.2	75.7	175.1	0	0	0	0	114
31	Q	27.5	Very low	30.6	Very low	196 Å²	196	138.8 Å²	138.8	92%	0.916	81%	0.807	S	S	*	*			trans	-165.2	138.2	131.8	-110.8	177.7	10.4	0	0	113.4
32	T	34.7	Very low	30.8	Very low	143 Å²	143	139.2 Å²	139.2	88%	0.877	80%	0.799	S	S	*	*			trans	-97.8	149.2	177.4	41.3	0	0	0	0	111.1
33	G	27.8	Very low	31.2	Very low	81 Å²	81	141.4 Å²	141.4	84%	0.835	79%	0.791	S	S	*	*			trans	-160	120.5	169.2	0	0	0	0	0	111.7
34	R	32.8	Very low	31.7	Very low	240 Å²	240	149 Å²	149	91%	0.906	80%	0.804	S	S	*	*			trans	-81.3	160.4	179	-78.8	179.4	172.3	-169.5	-2	112.5
35	F	27.9	Very low	32.5	Very low	218 Å²	218	140.5 Å²	140.5	96%	0.956	78%	0.781	S	S	*	*			trans	139.4	131	149.9	-87.3	-76.7	0	0	0	106.6
36	G	26.7	Very low	32.7	Very low	65 Å²	65	138 Å²	138	67%	0.67	77%	0.766	S	S	*	*			cis	160.5	128.2	10.2	0	0	0	0	0	105.1
37	Q	32.3	Very low	33.7	Very low	188 Å²	188	135.3 Å²	135.3	88%	0.879	76%	0.756	S	S	*	*			trans	43.1	109.3	160.5	-63.2	-178.6	-14.1	0	0	119.6
38	N	30.9	Very low	35	Very low	172 Å²	172	134.7 Å²	134.7	92%	0.92	75%	0.748	S	S	*	*			trans	-165.7	93.8	130.5	-93.4	-25.7	0	0	0	109
39	L	35.6	Very low	36.2	Very low	161 Å²	161	137 Å²	137	84%	0.843	75%	0.746	S	S	*	*			trans	-103.7	135	168.8	-143.6	93.9	0	0	0	107.2
40	C	37.4	Very low	37.5	Very low	113 Å²	113	134.1 Å²	134.1	76%	0.764	73%	0.734	S	S	*	*	S	Bend	trans	114.8	63.4	172.9	-68.3	0	0	0	0	115.6
41	S	34.4	Very low	39	Very low	120 Å²	120	131 Å²	131	84%	0.839	72%	0.721	S	S	*	*	S	Bend	trans	-156.5	-7.9	143.4	50	0	0	0	0	115
42	E	34.6	Very low	40.8	Very low	160 Å²	160	129.4 Å²	129.4	75%	0.748	71%	0.707	S	S	*	*	S	Bend	trans	-91.9	1.4	-178.3	-73.7	-178.7	154.1	0	0	116.3	R44 S45	E42-R44 VanDerWaalsContact C-N 3.27Å; E42-R44 PolarHBondContact O-N 3.4Å; E42-S45 PolarHBondContact O-OG 3.04Å
43	L	33.5	Very low	42.1	Very low	126 Å²	126	127 Å²	127	66%	0.66	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	9	-173.3	-78	167	0	0	0	115.6
44	R	36.8	Very low	43.9	Very low	234 Å²	234	125.8 Å²	125.8	88%	0.883	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.4	-11.8	174.4	-67.9	-170.5	-162.4	-141.3	3.8	114.8	E42	E42-R44 VanDerWaalsContact C-N 3.27Å; E42-R44 PolarHBondContact O-N 3.4Å
45	S	42.4	Very low	45.8	Very low	63 Å²	63	122.7 Å²	122.7	44%	0.441	66%	0.659	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92	-26.6	172.2	56.8	0	0	0	0	112.7	E42 A47 T48 E49	E42-S45 PolarHBondContact O-OG 3.04Å; S45-A47 PolarHBondContact O-N 2.87Å; S45-T48 PolarHBondContact O-OG1 3.01Å; S45-E49 PolarHBondContact O-N 2.98Å
46	S	47.8	Very low	47.9	Very low	48 Å²	48	116 Å²	116	34%	0.336	63%	0.633	S	S	.	*	H	α-helix	trans	-72.5	-28.9	-175.7	72.5	0	0	0	0	114	T50	S46-T50 VanDerWaalsContact O-CB 3.31Å; S46-T50 WeakPolarHBondContact O-CB 3.41Å; S46-T50 VanDerWaalsContact O-CG2 3.27Å; S46-T50 WeakPolarHBondContact O-CG2 3.31Å; S46-T50 PolarHBondContact O-N 3.14Å; S46-T50 PolarHBondContact O-OG1 3.2Å
47	A	47.4	Very low	49.5	Very low	61 Å²	61	117.5 Å²	117.5	50%	0.504	62%	0.624	S	S	.	*	H	α-helix	trans	-72.1	-34.3	-179.2	0	0	0	0	0	112.7	S45 T50 A51	S45-A47 PolarHBondContact O-N 2.87Å; A47-T50 WeakPolarHBondContact CA-OG1 3.27Å; A47-T50 PolarHBondContact O-OG1 2.8Å; A47-A51 VanDerWaalsContact O-CB 3.28Å; A47-A51 WeakPolarHBondContact O-CB 3.13Å; A47-A51 PolarHBondContact O-N 3.48Å; A47-A51 VanDerWaalsContact O-N 3.14Å
48	T	55.2	Low	51.1	Low	97 Å²	97	110.9 Å²	110.9	60%	0.595	60%	0.599	S	S	*	*	H	α-helix	trans	-77.8	-37.4	176	40	0	0	0	0	112.2	S45 W52	S45-T48 PolarHBondContact O-OG1 3.01Å; T48-W52 VanDerWaalsContact O-CB 3.29Å; T48-W52 WeakPolarHBondContact O-CB 3.33Å; T48-W52 PolarHBondContact O-N 2.85Å
49	E	54	Low	52.7	Low	122 Å²	122	105.7 Å²	105.7	57%	0.57	57%	0.571	S	S	*	*	H	α-helix	trans	-69	-39.9	175.1	-75.8	-178.1	160.4	0	0	112.1	S45 W52 L53	S45-E49 PolarHBondContact O-N 2.98Å; E49-W52 PolarHBondContact O-N 2.87Å; E49-L53 WeakPolarHBondContact O-CB 3.34Å; E49-L53 WeakPolarHBondContact O-CG 3.29Å; E49-L53 PolarHBondContact O-N 3.4Å
50	T	57	Low	53.8	Low	84 Å²	84	105.2 Å²	105.2	52%	0.515	56%	0.558	S	S	.	*	H	α-helix	trans	-68.7	-37.8	175.2	47	0	0	0	0	112.5	S46 A47 A54	S46-T50 VanDerWaalsContact O-CB 3.31Å; S46-T50 WeakPolarHBondContact O-CB 3.41Å; S46-T50 VanDerWaalsContact O-CG2 3.27Å; S46-T50 WeakPolarHBondContact O-CG2 3.31Å; S46-T50 PolarHBondContact O-N 3.14Å; S46-T50 PolarHBondContact O-OG1 3.2Å; A47-T50 WeakPolarHBondContact CA-OG1 3.27Å; A47-T50 PolarHBondContact O-OG1 2.8Å; T50-A54 WeakPolarHBondContact O-CB 3.28Å; T50-A54 PolarHBondContact O-N 3.27Å
51	A	62.2	Low	54.4	Low	60 Å²	60	104.6 Å²	104.6	50%	0.496	55%	0.547	S	S	.	.	H	α-helix	trans	-67.3	-36.8	174.1	0	0	0	0	0	112.3	A47 R55	A47-A51 VanDerWaalsContact O-CB 3.28Å; A47-A51 WeakPolarHBondContact O-CB 3.13Å; A47-A51 PolarHBondContact O-N 3.48Å; A47-A51 VanDerWaalsContact O-N 3.14Å; A51-R55 WeakPolarHBondContact O-CB 3.28Å; A51-R55 PolarHBondContact O-N 3.48Å
52	W	64.8	Low	55.2	Low	162 Å²	162	105.1 Å²	105.1	61%	0.614	54%	0.536	S	S	*	.	H	α-helix	trans	-71	-43.4	176.7	-174.4	81.6	0	0	0	112.1	T48 E49 R55 L56	T48-W52 VanDerWaalsContact O-CB 3.29Å; T48-W52 WeakPolarHBondContact O-CB 3.33Å; T48-W52 PolarHBondContact O-N 2.85Å; E49-W52 PolarHBondContact O-N 2.87Å; W52-R55 PolarHBondContact O-N 2.8Å; W52-L56 HydrophobicContact CD2-CD1 3.87Å; W52-L56 HydrophobicContact CD2-CG 4.46Å; W52-L56 HydrophobicContact CE3-CD1 3.6Å; W52-L56 HydrophobicContact CH2-CD1 3.29Å; W52-L56 HydrophobicContact CZ2-CD1 3.54Å; W52-L56 HydrophobicContact CZ2-CG 4.37Å; W52-L56 HydrophobicContact CZ3-CD1 3.3Å; W52-L56 PolarHBondContact O-N 2.75Å
53	L	62.2	Low	55.9	Low	91 Å²	91	104.5 Å²	104.5	48%	0.476	53%	0.533	S	S	.	.	H	α-helix	trans	-64.8	-38.9	173.2	-76	167.5	0	0	0	112.2	E49 R55 L56 L57	E49-L53 WeakPolarHBondContact O-CB 3.34Å; E49-L53 WeakPolarHBondContact O-CG 3.29Å; E49-L53 PolarHBondContact O-N 3.4Å; L53-R55 VanDerWaalsContact C-N 3.3Å; L53-R55 PolarHBondContact O-N 2.97Å; L53-L56 PolarHBondContact O-N 3.37Å; L53-L57 VanDerWaalsContact O-CB 3.28Å; L53-L57 WeakPolarHBondContact O-CB 3.34Å; L53-L57 PolarHBondContact O-N 2.77Å
54	A	66	Low	56.6	Low	56 Å²	56	101 Å²	101	46%	0.463	52%	0.518	S	S	.	.	H	α-helix	trans	-65.6	-34.4	175.1	0	0	0	0	0	112	T50 S58	T50-A54 WeakPolarHBondContact O-CB 3.28Å; T50-A54 PolarHBondContact O-N 3.27Å; A54-S58 WeakPolarHBondContact O-CB 3.4Å; A54-S58 PolarHBondContact O-N 2.78Å
55	R	72.9	Confident	56.8	Low	176 Å²	176	93 Å²	93	66%	0.664	51%	0.507	S	S	*	.	H	α-helix	trans	-72.8	-41.2	174.8	-162	172.7	-174.2	176.2	1.7	111.9	A51 W52 L53 L57 S58 D59	A51-R55 WeakPolarHBondContact O-CB 3.28Å; A51-R55 PolarHBondContact O-N 3.48Å; W52-R55 PolarHBondContact O-N 2.8Å; L53-R55 VanDerWaalsContact C-N 3.3Å; L53-R55 PolarHBondContact O-N 2.97Å; R55-L57 VanDerWaalsContact C-N 3.33Å; R55-L57 PolarHBondContact O-N 2.74Å; R55-S58 PolarHBondContact O-N 3.22Å; R55-S58 PolarHBondContact O-OG 2.93Å; R55-D59 VanDerWaalsContact O-CB 3.25Å; R55-D59 WeakPolarHBondContact O-CB 3.42Å; R55-D59 PolarHBondContact O-N 2.87Å
56	L	72.9	Confident	57	Low	78 Å²	78	98 Å²	98	41%	0.408	52%	0.524	S	S	.	.	H	α-helix	trans	-63	-39.3	170.6	-81.2	174.2	0	0	0	112.3	W52 L53 W60	W52-L56 HydrophobicContact CD2-CD1 3.87Å; W52-L56 HydrophobicContact CD2-CG 4.46Å; W52-L56 HydrophobicContact CE3-CD1 3.6Å; W52-L56 HydrophobicContact CH2-CD1 3.29Å; W52-L56 HydrophobicContact CZ2-CD1 3.54Å; W52-L56 HydrophobicContact CZ2-CG 4.37Å; W52-L56 HydrophobicContact CZ3-CD1 3.3Å; W52-L56 PolarHBondContact O-N 2.75Å; L53-L56 PolarHBondContact O-N 3.37Å; L56-W60 WeakPolarHBondContact O-CA 3.25Å; L56-W60 WeakPolarHBondContact O-CB 3.38Å; L56-W60 PolarHBondContact O-N 3.23Å
57	L	59.6	Low	57	Low	95 Å²	95	103 Å²	103	50%	0.497	54%	0.544	S	S	.	.	H	α-helix	trans	-69	-35.2	173.8	-89.8	154.1	0	0	0	111.6	L53 R55 W60 L61	L53-L57 VanDerWaalsContact O-CB 3.28Å; L53-L57 WeakPolarHBondContact O-CB 3.34Å; L53-L57 PolarHBondContact O-N 2.77Å; R55-L57 VanDerWaalsContact C-N 3.33Å; R55-L57 PolarHBondContact O-N 2.74Å; L57-W60 HydrophobicContact CD2-CE3 4.5Å; L57-L61 WeakPolarHBondContact O-CA 3.06Å; L57-L61 WeakPolarHBondContact O-CB 3.28Å; L57-L61 WeakPolarHBondContact O-CD1 3Å; L57-L61 WeakPolarHBondContact O-CG 3.3Å; L57-L61 PolarHBondContact O-N 3.21Å
58	S	65.2	Low	57.5	Low	49 Å²	49	103.4 Å²	103.4	34%	0.343	54%	0.543	S	S	.	.	H	α-helix	trans	-71.5	-40.3	174.4	74.3	0	0	0	0	112	A54 R55 L61 Q62	A54-S58 WeakPolarHBondContact O-CB 3.4Å; A54-S58 PolarHBondContact O-N 2.78Å; R55-S58 PolarHBondContact O-N 3.22Å; R55-S58 PolarHBondContact O-OG 2.93Å; S58-L61 CarbonylContact O-C 3.59Å; S58-L61 PolarHBondContact O-N 3.46Å; S58-Q62 VanDerWaalsContact O-CB 3.28Å; S58-Q62 WeakPolarHBondContact O-CB 3.46Å; S58-Q62 VanDerWaalsContact O-CG 3.3Å; S58-Q62 WeakPolarHBondContact O-CG 3.47Å; S58-Q62 PolarHBondContact O-N 2.71Å
59	D	65.4	Low	59	Low	64 Å²	64	103.8 Å²	103.8	34%	0.342	55%	0.549	S	S	.	.	H	α-helix	trans	-69.3	-38.6	177.5	-65.6	-8.4	0	0	0	109.9	R55 Q63	R55-D59 VanDerWaalsContact O-CB 3.25Å; R55-D59 WeakPolarHBondContact O-CB 3.42Å; R55-D59 PolarHBondContact O-N 2.87Å; D59-Q63 VanDerWaalsContact O-CB 3.3Å; D59-Q63 WeakPolarHBondContact O-CB 3.3Å; D59-Q63 VanDerWaalsContact O-CG 3.25Å; D59-Q63 WeakPolarHBondContact O-CG 3.19Å; D59-Q63 PolarHBondContact O-N 3.29Å
60	W	57.8	Low	61.1	Low	150 Å²	150	100.8 Å²	100.8	57%	0.568	54%	0.539	S	S	*	.	H	α-helix	trans	-67.6	-43.9	171	-174.9	83.8	0	0	0	111.2	L56 L57 Q62 Q63 T64	L56-W60 WeakPolarHBondContact O-CA 3.25Å; L56-W60 WeakPolarHBondContact O-CB 3.38Å; L56-W60 PolarHBondContact O-N 3.23Å; L57-W60 HydrophobicContact CD2-CE3 4.5Å; W60-Q62 VanDerWaalsContact C-N 3.33Å; W60-Q62 PolarHBondContact O-N 3.14Å; W60-Q63 CarbonylContact O-C 3.53Å; W60-Q63 PolarHBondContact O-N 2.75Å; W60-T64 HydrophobicContact CD2-CG2 3.82Å; W60-T64 HydrophobicContact CE3-CG2 4.27Å; W60-T64 HydrophobicContact CG-CG2 4.28Å; W60-T64 HydrophobicContact CH2-CG2 4.21Å; W60-T64 HydrophobicContact CZ2-CG2 3.76Å; W60-T64 HydrophobicContact CZ3-CG2 4.44Å; W60-T64 WeakPolarHBondContact O-CB 3.3Å; W60-T64 VanDerWaalsContact O-CG2 3.3Å; W60-T64 WeakPolarHBondContact O-CG2 3.36Å; W60-T64 PolarHBondContact O-N 3.46Å; W60-T64 PolarHBondContact O-OG1 2.85Å
61	L	50.1	Low	63	Low	100 Å²	100	102.4 Å²	102.4	52%	0.524	54%	0.539	S	S	.	.	H	α-helix	trans	-68	-29.8	176.2	-76.6	166.1	0	0	0	112.7	L57 S58 T64 G65	L57-L61 WeakPolarHBondContact O-CA 3.06Å; L57-L61 WeakPolarHBondContact O-CB 3.28Å; L57-L61 WeakPolarHBondContact O-CD1 3Å; L57-L61 WeakPolarHBondContact O-CG 3.3Å; L57-L61 PolarHBondContact O-N 3.21Å; S58-L61 CarbonylContact O-C 3.59Å; S58-L61 PolarHBondContact O-N 3.46Å; L61-T64 WeakPolarHBondContact CA-OG1 3.08Å; L61-G65 WeakPolarHBondContact O-CA 3.25Å; L61-G65 PolarHBondContact O-N 2.92Å
62	Q	51.3	Low	64.8	Low	132 Å²	132	101.8 Å²	101.8	62%	0.617	53%	0.529	S	S	*	.	H	α-helix	trans	-71.4	-43.4	169.6	-80.5	178.7	-15.3	0	0	110.6	S58 W60 E66	S58-Q62 VanDerWaalsContact O-CB 3.28Å; S58-Q62 WeakPolarHBondContact O-CB 3.46Å; S58-Q62 VanDerWaalsContact O-CG 3.3Å; S58-Q62 WeakPolarHBondContact O-CG 3.47Å; S58-Q62 PolarHBondContact O-N 2.71Å; W60-Q62 VanDerWaalsContact C-N 3.33Å; W60-Q62 PolarHBondContact O-N 3.14Å; Q62-E66 PolarHBondContact O-N 3.01Å; Q62-E66 VanDerWaalsContact O-N 3.14Å
63	Q	48.8	Very low	66.4	Low	147 Å²	147	97.5 Å²	97.5	69%	0.687	52%	0.516	S	S	*	.	H	α-helix	trans	-67.1	-34.5	175	-78.1	175.3	10.5	0	0	113.5	D59 W60	D59-Q63 VanDerWaalsContact O-CB 3.3Å; D59-Q63 WeakPolarHBondContact O-CB 3.3Å; D59-Q63 VanDerWaalsContact O-CG 3.25Å; D59-Q63 WeakPolarHBondContact O-CG 3.19Å; D59-Q63 PolarHBondContact O-N 3.29Å; W60-Q63 CarbonylContact O-C 3.53Å; W60-Q63 PolarHBondContact O-N 2.75Å
64	T	48.4	Very low	68.1	Low	53 Å²	53	93.9 Å²	93.9	33%	0.325	50%	0.498	S	S	.	.	H	α-helix	trans	-89	-25.7	178	61.2	0	0	0	0	112.7	W60 L61 M67	W60-T64 HydrophobicContact CD2-CG2 3.82Å; W60-T64 HydrophobicContact CE3-CG2 4.27Å; W60-T64 HydrophobicContact CG-CG2 4.28Å; W60-T64 HydrophobicContact CH2-CG2 4.21Å; W60-T64 HydrophobicContact CZ2-CG2 3.76Å; W60-T64 HydrophobicContact CZ3-CG2 4.44Å; W60-T64 WeakPolarHBondContact O-CB 3.3Å; W60-T64 VanDerWaalsContact O-CG2 3.3Å; W60-T64 WeakPolarHBondContact O-CG2 3.36Å; W60-T64 PolarHBondContact O-N 3.46Å; W60-T64 PolarHBondContact O-OG1 2.85Å; L61-T64 WeakPolarHBondContact CA-OG1 3.08Å; T64-M67 PolarHBondContact O-N 3Å
65	G	41.4	Very low	69.6	Low	64 Å²	64	92.1 Å²	92.1	66%	0.66	48%	0.482	S	S	*	.	H	α-helix	trans	-77.5	-21.8	177.6	0	0	0	0	0	113.4	L61	L61-G65 WeakPolarHBondContact O-CA 3.25Å; L61-G65 PolarHBondContact O-N 2.92Å
66	E	46.3	Very low	70.8	Confident	170 Å²	170	84 Å²	84	79%	0.794	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	26	168.7	-77.4	-171.3	158.9	0	0	113.1	Q62 S68	Q62-E66 PolarHBondContact O-N 3.01Å; Q62-E66 VanDerWaalsContact O-N 3.14Å; E66-S68 PolarHBondContact O-N 3.13Å
67	M	48.3	Very low	72	Confident	153 Å²	153	87.3 Å²	87.3	75%	0.754	46%	0.463	S	S	*	.			trans	-71.7	82	155.7	-73.3	-133.1	-58.6	0	0	107.7	T64 S69	T64-M67 PolarHBondContact O-N 3Å; M67-S69 PolarHBondContact O-N 3.01Å
68	S	58.9	Low	73.5	Confident	69 Å²	69	86.4 Å²	86.4	48%	0.483	46%	0.456	S	S	.	.			trans	-53.2	110	171.1	60.9	0	0	0	0	107.5	E66 V70 G350	E66-S68 PolarHBondContact O-N 3.13Å; S68-V70 PolarHBondContact O-N 3.41Å; S68-G350 WeakPolarHBondContact OG-CA 3.1Å; S68-G350 PolarHBondContact OG-O 3.5Å
69	S	86.6	Confident	75	Confident	104 Å²	104	88.7 Å²	88.7	73%	0.727	46%	0.461	S	S	*	.			trans	-59.9	125.4	176.6	58.2	0	0	0	0	108.2	M67 K71	M67-S69 PolarHBondContact O-N 3.01Å; S69-K71 PolarHBondContact O-N 2.76Å; S69-K71 VanDerWaalsContact O-N 3.13Å
70	V	96.8	Very high	76.5	Confident	60 Å²	60	85.8 Å²	85.8	36%	0.364	45%	0.446	S	S	.	.			trans	-50.8	122.3	176.5	176.7	0	0	0	0	109.3	S68 V302 V348 T349 L351	S68-V70 PolarHBondContact O-N 3.41Å; V70-V302 HydrophobicContact CG1-CG1 4.22Å; V70-V302 HydrophobicContact CG1-CG2 4.4Å; V70-V348 HydrophobicContact CG1-CG1 3.62Å; V70-T349 WeakPolarHBondContact CA-O 3.38Å; V70-L351 HydrophobicContact CG1-CD2 3.95Å; V70-L351 HydrophobicContact CG2-CD2 4.04Å
71	K	98.3	Very high	78.5	Confident	117 Å²	117	82.6 Å²	82.6	51%	0.509	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	132.1	-179.5	-174.4	-174.1	177.5	-164.6	0	109.4	S69 E73 V348 T349	S69-K71 PolarHBondContact O-N 2.76Å; S69-K71 VanDerWaalsContact O-N 3.13Å; K71-E73 IonicContact NZ-OE2 3.89Å; K71-V348 CarbonylContact O-C 3.57Å; K71-V348 VanDerWaalsContact O-CA 3.26Å; K71-V348 WeakPolarHBondContact O-CA 3.15Å; K71-T349 PolarHBondContact N-O 3.23Å; K71-T349 PolarHBondContact O-N 3.42Å
72	V	98.6	Very high	80.8	Confident	48 Å²	48	79.3 Å²	79.3	29%	0.291	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	125.3	174.5	-175	0	0	0	0	108.9	V302 L304 F346 V348	V72-V302 HydrophobicContact CG2-CG1 4.03Å; V72-L304 HydrophobicContact CG1-CG 4.3Å; V72-F346 HydrophobicContact CG1-CB 4.15Å; V72-F346 HydrophobicContact CG1-CD1 4.11Å; V72-F346 HydrophobicContact CG1-CG 4.38Å; V72-V348 HydrophobicContact CG1-CG2 4.42Å; V72-V348 HydrophobicContact CG2-CG1 4.36Å; V72-V348 HydrophobicContact CG2-CG2 4.16Å
73	E	98.2	Very high	83	Confident	71 Å²	71	73 Å²	73	33%	0.332	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	134.8	-178.9	179.3	174.4	-162.9	0	0	110.6	K71 V75 F346 R347	K71-E73 IonicContact NZ-OE2 3.89Å; E73-V75 HydrophobicContact CG-CG1 4.12Å; E73-V75 PolarHBondContact O-N 2.9Å; E73-F346 CarbonylContact O-C 3.59Å; E73-F346 WeakPolarHBondContact O-CA 3.37Å; E73-R347 PolarHBondContact N-O 2.91Å; E73-R347 PolarHBondContact O-N 2.81Å; E73-R347 IonicContact OE2-CZ 2.72Å; E73-R347 IonicContact OE2-NE 3.37Å; E73-R347 IonicContact OE2-NH2 3.15Å; E73-R347 PolarHBondContact OE2-NH2 3.03Å
74	S	98.3	Very high	85.4	Confident	16 Å²	16	66.2 Å²	66.2	11%	0.112	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	116.3	170.7	178.6	0	0	0	0	109.5	Q341 N344	S74-Q341 VanDerWaalsContact CB-NE2 3.34Å; S74-N344 WeakPolarHBondContact OG-CB 3.4Å; S74-N344 PolarHBondContact OG-ND2 3.34Å
75	V	98.4	Very high	87.8	Confident	19 Å²	19	64 Å²	64	12%	0.115	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	-27.7	-173.2	-68.2	0	0	0	0	113.1	E73 W108 Y323 T345 R347	E73-V75 HydrophobicContact CG-CG1 4.12Å; E73-V75 PolarHBondContact O-N 2.9Å; V75-W108 HydrophobicContact CB-CH2 3.81Å; V75-W108 HydrophobicContact CB-CZ2 3.9Å; V75-W108 HydrophobicContact CG1-CH2 4.44Å; V75-W108 HydrophobicContact CG2-CH2 3.98Å; V75-W108 HydrophobicContact CG2-CZ2 4.41Å; V75-W108 HydrophobicContact CG2-CZ3 4.31Å; V75-Y323 HydrophobicContact CG2-CD1 4.24Å; V75-Y323 HydrophobicContact CG2-CE1 4.16Å; V75-T345 WeakPolarHBondContact CG2-O 3.36Å; V75-T345 PolarHBondContact N-O 2.62Å; V75-R347 HydrophobicContact CB-CB 4.47Å; V75-R347 HydrophobicContact CG1-CB 3.58Å; V75-R347 HydrophobicContact CG2-CB 4.01Å
76	V	98.1	Very high	90.5	Very high	6 Å²	6	61.4 Å²	61.4	4%	0.036	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	126.3	172.7	-175.1	0	0	0	0	109.4	E78 F97 W108 I115 N344 T345	V76-E78 HydrophobicContact CG1-CB 4.32Å; V76-E78 HydrophobicContact CG1-CG 3.75Å; V76-F97 HydrophobicContact CG1-CE1 4.38Å; V76-F97 HydrophobicContact CG1-CZ 3.87Å; V76-W108 HydrophobicContact CG2-CB 3.96Å; V76-W108 HydrophobicContact CG2-CD2 3.5Å; V76-W108 VanDerWaalsContact CG2-CD2 3.5Å; V76-W108 HydrophobicContact CG2-CE3 4.03Å; V76-W108 HydrophobicContact CG2-CG 3.47Å; V76-W108 VanDerWaalsContact CG2-CG 3.47Å; V76-I115 HydrophobicContact CG1-CD1 3.8Å; V76-N344 WeakPolarHBondContact O-CA 3.47Å; V76-N344 WeakPolarHBondContact O-CB 3.47Å; V76-T345 PolarHBondContact N-O 2.88Å; V76-T345 PolarHBondContact O-N 3.49Å
77	K	97.1	Very high	93	Very high	146 Å²	146	54 Å²	54	64%	0.635	29%	0.285	S	S	*	.			trans	-113	42.4	-171.7	-55.6	179.1	-173.6	175.1	0	112.3	H79	K77-H79 PolarHBondContact O-CD2 2.89Å; K77-H79 VanDerWaalsContact O-CD2 3.29Å; K77-H79 PolarHBondContact O-N 3.01Å
78	E	92.4	Very high	95.4	Very high	77 Å²	77	47 Å²	47	36%	0.36	25%	0.25	S	C	.	.			trans	-75.5	-12.9	179.5	-75.8	-62.3	125.3	0	0	113.2	V76 A80 H106 I115	V76-E78 HydrophobicContact CG1-CB 4.32Å; V76-E78 HydrophobicContact CG1-CG 3.75Å; E78-A80 PolarHBondContact O-N 3.15Å; E78-H106 IonicContact OE2-CE1 3.47Å; E78-I115 HydrophobicContact CG-CD1 3.49Å; E78-I115 VanDerWaalsContact CG-CD1 3.49Å
79	H	95.1	Very high	97.3	Very high	97 Å²	97	45 Å²	45	45%	0.449	23%	0.233	S	C	.	.			trans	50.5	43.7	-174.2	-60.8	-77.9	0	0	0	112.2	K77 Q81 S328 P340 A342 N344	K77-H79 PolarHBondContact O-CD2 2.89Å; K77-H79 VanDerWaalsContact O-CD2 3.29Å; K77-H79 PolarHBondContact O-N 3.01Å; H79-Q81 PolarHBondContact O-N 2.97Å; H79-S328 PolarHBondContact O-OG 3.02Å; H79-P340 PolarHBondContact CE1-O 3.47Å; H79-P340 VanDerWaalsContact CE1-O 3.25Å; H79-A342 PolarHBondContact ND1-O 3.18Å; H79-N344 PolarHBondContact ND1-OD1 2.85Å
80	A	98.1	Very high	97.7	Very high	2 Å²	2	44.8 Å²	44.8	2%	0.017	22%	0.22	C	C	.	.			trans	-50.7	139.7	-175.6	0	0	0	0	0	110.8	E78 I82 D99 S328 G343	E78-A80 PolarHBondContact O-N 3.15Å; A80-I82 VanDerWaalsContact C-N 3.34Å; A80-D99 WeakPolarHBondContact CA-OD2 3.37Å; A80-D99 HydrophobicContact CB-CB 4.14Å; A80-S328 PolarHBondContact O-N 2.84Å; A80-S328 VanDerWaalsContact O-N 3.08Å; A80-S328 PolarHBondContact O-OG 2.71Å; A80-G343 WeakPolarHBondContact CB-O 3.44Å; A80-G343 PolarHBondContact N-O 2.85Å; A80-G343 VanDerWaalsContact O-CA 3.28Å; A80-G343 WeakPolarHBondContact O-CA 3.33Å
81	Q	98.5	Very high	97.5	Very high	84 Å²	84	47.2 Å²	47.2	39%	0.393	24%	0.24	S	C	.	.	S	Bend	trans	-62.9	-48.9	175.5	-69.6	-170.9	41.1	0	0	109.3	H79 D99 A101 A327 S328 L329	H79-Q81 PolarHBondContact O-N 2.97Å; Q81-D99 PolarHBondContact N-OD1 3.38Å; Q81-D99 PolarHBondContact N-OD2 2.83Å; Q81-A101 HydrophobicContact CB-CB 3.77Å; Q81-A327 WeakPolarHBondContact O-CA 3.45Å; Q81-A327 VanDerWaalsContact O-CB 3.31Å; Q81-A327 WeakPolarHBondContact O-CB 3.21Å; Q81-S328 PolarHBondContact O-N 2.84Å; Q81-S328 VanDerWaalsContact O-N 3.15Å; Q81-L329 HydrophobicContact CB-CB 4.16Å; Q81-L329 WeakPolarHBondContact O-CB 3.46Å; Q81-L329 PolarHBondContact O-N 2.96Å
82	I	98.6	Very high	97.3	Very high	30 Å²	30	46.4 Å²	46.4	15%	0.154	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-140.6	86.9	168.9	-53.4	176.8	0	0	0	108	A80 E84 D99 I100 A101 T310 A327 L329	A80-I82 VanDerWaalsContact C-N 3.34Å; I82-E84 HydrophobicContact CG2-CG 4.04Å; I82-E84 PolarHBondContact O-N 3.1Å; I82-D99 PolarHBondContact N-OD1 2.72Å; I82-D99 CarbonylContact O-C 3.55Å; I82-D99 VanDerWaalsContact O-CA 3.31Å; I82-D99 WeakPolarHBondContact O-CA 3.3Å; I82-I100 HydrophobicContact CB-CB 4.12Å; I82-I100 HydrophobicContact CB-CG1 4.44Å; I82-I100 HydrophobicContact CG2-CB 4.29Å; I82-I100 HydrophobicContact CG2-CD1 4.06Å; I82-I100 HydrophobicContact CG2-CG1 4.15Å; I82-I100 PolarHBondContact O-N 3.15Å; I82-A101 HydrophobicContact CD1-CB 4.06Å; I82-A101 HydrophobicContact CG1-CB 4.1Å; I82-T310 HydrophobicContact CG2-CG2 4.35Å; I82-A327 HydrophobicContact CB-CB 4.46Å; I82-A327 HydrophobicContact CG1-CB 4.44Å; I82-A327 HydrophobicContact CG2-CB 4.46Å; I82-L329 HydrophobicContact CD1-CD2 3.96Å; I82-L329 HydrophobicContact CG1-CB 4.15Å; I82-L329 HydrophobicContact CG1-CD2 4.08Å
83	G	98.8	Very high	97.2	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	130.7	170.9	0	0	0	0	0	109.7	V98 T310 T325 S326	G83-V98 CarbonylContact C-O 3.09Å; G83-V98 VanDerWaalsContact CA-O 3.26Å; G83-V98 WeakPolarHBondContact CA-O 3.26Å; G83-T310 VanDerWaalsContact O-CB 3.29Å; G83-T310 WeakPolarHBondContact O-CB 3.48Å; G83-T310 PolarHBondContact O-OG1 2.84Å; G83-T325 WeakPolarHBondContact O-CB 3.17Å; G83-T325 PolarHBondContact O-OG1 2.73Å; G83-S326 WeakPolarHBondContact CA-O 3.4Å; G83-S326 PolarHBondContact N-O 3.47Å; G83-S326 VanDerWaalsContact N-O 3.11Å
84	E	98.8	Very high	97.2	Very high	4 Å²	4	43.3 Å²	43.3	2%	0.019	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	173.8	-172.1	-105.7	-65.3	172.1	0	0	112.4	I82 F97 V98 I100 T310 S311	I82-E84 HydrophobicContact CG2-CG 4.04Å; I82-E84 PolarHBondContact O-N 3.1Å; E84-F97 WeakPolarHBondContact O-CB 3.27Å; E84-V98 HydrophobicContact CB-CG2 3.8Å; E84-V98 PolarHBondContact N-O 2.95Å; E84-V98 WeakPolarHBondContact O-CG2 3.33Å; E84-V98 PolarHBondContact O-N 2.87Å; E84-I100 HydrophobicContact CB-CD1 3.72Å; E84-I100 HydrophobicContact CB-CG1 3.81Å; E84-I100 HydrophobicContact CG-CD1 3.66Å; E84-I100 HydrophobicContact CG-CG1 4.25Å; E84-T310 WeakPolarHBondContact OE1-CB 3.33Å; E84-S311 WeakPolarHBondContact OE2-CB 3.4Å
85	G	98.4	Very high	97.2	Very high	7 Å²	7	42.6 Å²	42.6	7%	0.072	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	51.8	48	172.9	0	0	0	0	0	114.6	V87	G85-V87 PolarHBondContact O-N 2.87Å
86	P	98.8	Very high	97.2	Very high	10 Å²	10	41.7 Å²	41.7	7%	0.065	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	132.4	178.2	30.4	-34.7	0	0	0	110.7	L95 L96 S311 C313 T325	P86-L95 HydrophobicContact CB-CD1 4.19Å; P86-L96 CarbonylContact C-O 3.54Å; P86-L96 VanDerWaalsContact CA-O 3.29Å; P86-L96 WeakPolarHBondContact CA-O 3.14Å; P86-S311 WeakPolarHBondContact CD-OG 3.42Å; P86-C313 HydrophobicContact CB-CB 4.31Å; P86-C313 HydrophobicContact CG-CB 4.24Å; P86-C313 VanDerWaalsContact O-CB 3.26Å; P86-C313 WeakPolarHBondContact O-CB 3.25Å; P86-T325 HydrophobicContact CB-CG2 4.01Å; P86-T325 HydrophobicContact CG-CG2 4.09Å
87	V	98.7	Very high	97.3	Very high	15 Å²	15	41.4 Å²	41.4	9%	0.091	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	132.8	177.1	-177	0	0	0	0	109.1	G85 L96 V128 P129	G85-V87 PolarHBondContact O-N 2.87Å; V87-L96 HydrophobicContact CB-CB 4.31Å; V87-L96 PolarHBondContact N-O 3.48Å; V87-L96 PolarHBondContact O-N 2.9Å; V87-V128 HydrophobicContact CG2-CG1 4.38Å; V87-P129 HydrophobicContact CG1-CG 4.06Å
88	W	98.7	Very high	97.3	Very high	5 Å²	5	34.5 Å²	34.5	2%	0.019	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	121.8	179.4	-174.9	-110	0	0	0	112	Q93 L95 S110 F314 G316 Y319 Y323	W88-Q93 VanDerWaalsContact CH2-C 3.43Å; W88-Q93 HydrophobicContact CH2-CB 4.11Å; W88-Q93 HydrophobicContact CZ2-CB 3.97Å; W88-Q93 HydrophobicContact CZ2-CG 4.46Å; W88-L95 HydrophobicContact CE3-CB 4.16Å; W88-L95 HydrophobicContact CE3-CD1 4.13Å; W88-L95 HydrophobicContact CZ3-CB 4.21Å; W88-S110 WeakPolarHBondContact CH2-OG 3.46Å; W88-F314 WeakPolarHBondContact CB-O 3.13Å; W88-G316 VanDerWaalsContact CZ2-CA 3.44Å; W88-Y319 AromaticContact CD1-CE1 3.53Å; W88-Y319 HydrophobicContact CG-CE1 4.39Å; W88-Y323 HydrophobicContact CE3-CD2 4.34Å; W88-Y323 AromaticContact CE3-CE2 3.84Å; W88-Y323 HydrophobicContact CE3-CE2 3.84Å; W88-Y323 HydrophobicContact CH2-CE2 4.4Å; W88-Y323 AromaticContact CZ3-CE2 3.78Å; W88-Y323 HydrophobicContact CZ3-CE2 3.78Å; W88-Y323 AromaticContact CZ3-CZ 3.87Å
89	E	97.6	Very high	97.6	Very high	28 Å²	28	31.4 Å²	31.4	13%	0.131	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	98.7	170.8	-63.4	-167.9	102.6	0	0	110	S91 E92 Q93 T94 R107 P129 Y135	E89-S91 PolarHBondContact O-N 2.82Å; E89-E92 PolarHBondContact O-N 3.43Å; E89-Q93 WeakPolarHBondContact O-CA 3.18Å; E89-Q93 PolarHBondContact O-N 2.96Å; E89-T94 PolarHBondContact N-O 3.1Å; E89-T94 PolarHBondContact O-N 2.79Å; E89-R107 IonicContact OE2-CZ 2.77Å; E89-R107 IonicContact OE2-NE 2.7Å; E89-R107 PolarHBondContact OE2-NE 3.16Å; E89-R107 IonicContact OE2-NH2 3.72Å; E89-R107 PolarHBondContact OE2-NH2 3.16Å; E89-P129 HydrophobicContact CG-CG 4.14Å; E89-Y135 WeakPolarHBondContact OE1-CE1 3.22Å; E89-Y135 PolarHBondContact OE1-OH 3.26Å; E89-Y135 PolarHBondContact OE2-OH 3.23Å
90	E	95.9	Very high	97.8	Very high	99 Å²	99	27 Å²	27	46%	0.463	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-61.5	-40.9	-174.9	179.5	-178.4	-143.4	0	0	113.3	E92 Q93 Y319	E90-E92 PolarHBondContact O-N 3.44Å; E90-E92 VanDerWaalsContact O-N 3.14Å; E90-Q93 PolarHBondContact O-N 2.85Å; E90-Q93 VanDerWaalsContact O-N 3.16Å; E90-Q93 PolarHBondContact O-NE2 3.32Å; E90-Y319 WeakPolarHBondContact CB-OH 3.38Å; E90-Y319 PolarHBondContact OE2-OH 2.85Å
91	S	92.8	Very high	97.8	Very high	111 Å²	111	28.3 Å²	28.3	78%	0.776	16%	0.155	S	C	*	.	G	3₁₀ helix	trans	-59.7	-30.5	-174.3	56.3	0	0	0	0	113.5	E89	E89-S91 PolarHBondContact O-N 2.82Å
92	E	92.7	Very high	97.8	Very high	99 Å²	99	25 Å²	25	46%	0.463	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	-111.8	-1.8	-179.8	-64.5	-171.9	-162.3	0	0	113	E89 E90 T94 R107 N109	E89-E92 PolarHBondContact O-N 3.43Å; E90-E92 PolarHBondContact O-N 3.44Å; E90-E92 VanDerWaalsContact O-N 3.14Å; E92-T94 VanDerWaalsContact C-N 3.29Å; E92-T94 WeakPolarHBondContact CB-OG1 3.32Å; E92-T94 PolarHBondContact O-N 2.9Å; E92-T94 PolarHBondContact O-OG1 2.85Å; E92-R107 IonicContact OE1-NH2 3.55Å; E92-R107 IonicContact OE2-CZ 2.79Å; E92-R107 IonicContact OE2-NH1 3.62Å; E92-R107 IonicContact OE2-NH2 3.43Å; E92-R107 PolarHBondContact OE2-NH2 2.9Å; E92-N109 PolarHBondContact O-ND2 3.05Å
93	Q	96.6	Very high	97.8	Very high	51 Å²	51	26.6 Å²	26.6	24%	0.238	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	49.9	-170.8	-58.6	-70.9	-73.3	0	0	111.2	W88 E89 E90 S110	W88-Q93 VanDerWaalsContact CH2-C 3.43Å; W88-Q93 HydrophobicContact CH2-CB 4.11Å; W88-Q93 HydrophobicContact CZ2-CB 3.97Å; W88-Q93 HydrophobicContact CZ2-CG 4.46Å; E89-Q93 WeakPolarHBondContact O-CA 3.18Å; E89-Q93 PolarHBondContact O-N 2.96Å; E90-Q93 PolarHBondContact O-N 2.85Å; E90-Q93 VanDerWaalsContact O-N 3.16Å; E90-Q93 PolarHBondContact O-NE2 3.32Å; Q93-S110 PolarHBondContact O-N 2.92Å; Q93-S110 PolarHBondContact O-OG 3.11Å
94	T	98.3	Very high	97.8	Very high	4 Å²	4	30 Å²	30	3%	0.025	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	133.2	-172.5	-66.3	0	0	0	0	110.3	E89 E92 R107 W108 N109	E89-T94 PolarHBondContact N-O 3.1Å; E89-T94 PolarHBondContact O-N 2.79Å; E92-T94 VanDerWaalsContact C-N 3.29Å; E92-T94 WeakPolarHBondContact CB-OG1 3.32Å; E92-T94 PolarHBondContact O-N 2.9Å; E92-T94 PolarHBondContact O-OG1 2.85Å; T94-R107 HydrophobicContact CG2-CB 3.83Å; T94-R107 HydrophobicContact CG2-CG 4.27Å; T94-W108 CarbonylContact C-O 3.48Å; T94-W108 VanDerWaalsContact CA-O 3.3Å; T94-W108 WeakPolarHBondContact CA-O 3.19Å; T94-N109 PolarHBondContact OG1-ND2 2.84Å
95	L	98.8	Very high	97.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	115.8	166.9	-169.1	72	0	0	0	109.1	P86 W88 F97 R107 W108 Y323 T345	P86-L95 HydrophobicContact CB-CD1 4.19Å; W88-L95 HydrophobicContact CE3-CB 4.16Å; W88-L95 HydrophobicContact CE3-CD1 4.13Å; W88-L95 HydrophobicContact CZ3-CB 4.21Å; L95-F97 HydrophobicContact CD2-CD1 4.27Å; L95-F97 HydrophobicContact CG-CD1 4.34Å; L95-R107 WeakPolarHBondContact O-CA 3.25Å; L95-W108 HydrophobicContact CB-CE3 3.79Å; L95-W108 HydrophobicContact CB-CZ3 4.44Å; L95-W108 HydrophobicContact CD2-CE3 4.43Å; L95-W108 PolarHBondContact N-O 3.2Å; L95-W108 PolarHBondContact O-N 3.1Å; L95-Y323 HydrophobicContact CD1-CD2 4.1Å; L95-Y323 HydrophobicContact CD1-CG 3.94Å; L95-Y323 HydrophobicContact CD2-CD1 3.88Å; L95-Y323 HydrophobicContact CD2-CG 4Å; L95-T345 HydrophobicContact CD2-CG2 3.72Å
96	L	98.9	Very high	97.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	137.6	165.3	-175.9	76.4	0	0	0	108.3	P86 V87 I105 H106 R107 A127 Y135	P86-L96 CarbonylContact C-O 3.54Å; P86-L96 VanDerWaalsContact CA-O 3.29Å; P86-L96 WeakPolarHBondContact CA-O 3.14Å; V87-L96 HydrophobicContact CB-CB 4.31Å; V87-L96 PolarHBondContact N-O 3.48Å; V87-L96 PolarHBondContact O-N 2.9Å; L96-I105 HydrophobicContact CD1-CG2 3.62Å; L96-I105 HydrophobicContact CG-CG2 4.49Å; L96-H106 CarbonylContact C-O 3.52Å; L96-H106 VanDerWaalsContact CA-O 3.3Å; L96-H106 WeakPolarHBondContact CA-O 3.2Å; L96-R107 HydrophobicContact CD1-CG 3.62Å; L96-A127 HydrophobicContact CD2-CB 3.86Å; L96-A127 WeakPolarHBondContact CD2-O 3.31Å; L96-A127 HydrophobicContact CG-CB 4.28Å; L96-Y135 HydrophobicContact CD1-CD1 4.21Å; L96-Y135 HydrophobicContact CD1-CE1 4.02Å; L96-Y135 HydrophobicContact CD1-CE2 4.29Å; L96-Y135 HydrophobicContact CD1-CG 4.48Å; L96-Y135 HydrophobicContact CD2-CD1 3.51Å; L96-Y135 HydrophobicContact CD2-CE1 3.72Å; L96-Y135 HydrophobicContact CD2-CG 4.25Å; L96-Y135 HydrophobicContact CG-CE1 4.44Å
97	F	98.9	Very high	97.8	Very high	1 Å²	1	30.2 Å²	30.2	0%	0.004	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	172.1	171.6	65.3	-81.1	0	0	0	109.3	V76 E84 L95 H106 W108 I115 T325	V76-F97 HydrophobicContact CG1-CE1 4.38Å; V76-F97 HydrophobicContact CG1-CZ 3.87Å; E84-F97 WeakPolarHBondContact O-CB 3.27Å; L95-F97 HydrophobicContact CD2-CD1 4.27Å; L95-F97 HydrophobicContact CG-CD1 4.34Å; F97-H106 HydrophobicContact CD1-CB 3.83Å; F97-H106 HydrophobicContact CD2-CB 4.03Å; F97-H106 AromaticContact CD2-CD2 3.93Å; F97-H106 HydrophobicContact CE1-CB 3.42Å; F97-H106 VanDerWaalsContact CE1-CB 3.42Å; F97-H106 HydrophobicContact CE2-CB 3.65Å; F97-H106 AromaticContact CE2-CD2 3.41Å; F97-H106 VanDerWaalsContact CE2-CD2 3.41Å; F97-H106 WeakPolarHBondContact CE2-CD2 3.26Å; F97-H106 AromaticContact CE2-CG 3.66Å; F97-H106 HydrophobicContact CG-CB 4.1Å; F97-H106 HydrophobicContact CZ-CB 3.32Å; F97-H106 AromaticContact CZ-CD2 3.88Å; F97-H106 AromaticContact CZ-CG 3.63Å; F97-H106 PolarHBondContact N-O 2.88Å; F97-H106 PolarHBondContact O-N 2.88Å; F97-W108 HydrophobicContact CE1-CB 4.24Å; F97-I115 HydrophobicContact CE1-CD1 4.28Å; F97-I115 HydrophobicContact CZ-CD1 3.91Å; F97-T325 HydrophobicContact CB-CG2 4.33Å
98	V	98.9	Very high	97.8	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	153.4	-179.6	-59.8	0	0	0	0	111.2	G83 E84 I100 K104 I105 V124 A127	G83-V98 CarbonylContact C-O 3.09Å; G83-V98 VanDerWaalsContact CA-O 3.26Å; G83-V98 WeakPolarHBondContact CA-O 3.26Å; E84-V98 HydrophobicContact CB-CG2 3.8Å; E84-V98 PolarHBondContact N-O 2.95Å; E84-V98 WeakPolarHBondContact O-CG2 3.33Å; E84-V98 PolarHBondContact O-N 2.87Å; V98-I100 HydrophobicContact CG2-CG1 4.04Å; V98-K104 CarbonylContact C-O 3.54Å; V98-K104 VanDerWaalsContact CA-O 3.28Å; V98-K104 WeakPolarHBondContact CA-O 3.39Å; V98-I105 HydrophobicContact CG1-CG1 4.25Å; V98-V124 HydrophobicContact CB-CG1 4.12Å; V98-V124 HydrophobicContact CB-CG2 4.47Å; V98-V124 HydrophobicContact CG1-CG1 4.35Å; V98-V124 HydrophobicContact CG1-CG2 3.91Å; V98-V124 WeakPolarHBondContact CG2-O 3.34Å; V98-A127 HydrophobicContact CG1-CB 3.93Å
99	D	98.8	Very high	97.8	Very high	13 Å²	13	31.4 Å²	31.4	7%	0.07	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	103.2	157.1	-175.8	-8.4	0	0	0	107.6	A80 Q81 I82 A101 G102 Q103 K104	A80-D99 WeakPolarHBondContact CA-OD2 3.37Å; A80-D99 HydrophobicContact CB-CB 4.14Å; Q81-D99 PolarHBondContact N-OD1 3.38Å; Q81-D99 PolarHBondContact N-OD2 2.83Å; I82-D99 PolarHBondContact N-OD1 2.72Å; I82-D99 CarbonylContact O-C 3.55Å; I82-D99 VanDerWaalsContact O-CA 3.31Å; I82-D99 WeakPolarHBondContact O-CA 3.3Å; D99-A101 PolarHBondContact O-N 3.48Å; D99-A101 PolarHBondContact OD1-N 3.19Å; D99-G102 VanDerWaalsContact CG-CA 3.47Å; D99-G102 VanDerWaalsContact CG-N 3.3Å; D99-G102 CarbonylContact O-C 3.55Å; D99-G102 PolarHBondContact O-N 2.87Å; D99-G102 PolarHBondContact OD1-N 3.14Å; D99-G102 WeakPolarHBondContact OD2-CA 3.31Å; D99-Q103 WeakPolarHBondContact O-CA 3.12Å; D99-Q103 PolarHBondContact O-N 2.98Å; D99-K104 PolarHBondContact N-O 3.46Å; D99-K104 PolarHBondContact O-N 2.84Å; D99-K104 VanDerWaalsContact O-N 3.17Å
100	I	98.6	Very high	97.7	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.021	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-51.2	-172.1	-55.6	-172.5	0	0	0	110.4	I82 E84 V98 Q103 T123 V124	I82-I100 HydrophobicContact CB-CB 4.12Å; I82-I100 HydrophobicContact CB-CG1 4.44Å; I82-I100 HydrophobicContact CG2-CB 4.29Å; I82-I100 HydrophobicContact CG2-CD1 4.06Å; I82-I100 HydrophobicContact CG2-CG1 4.15Å; I82-I100 PolarHBondContact O-N 3.15Å; E84-I100 HydrophobicContact CB-CD1 3.72Å; E84-I100 HydrophobicContact CB-CG1 3.81Å; E84-I100 HydrophobicContact CG-CD1 3.66Å; E84-I100 HydrophobicContact CG-CG1 4.25Å; V98-I100 HydrophobicContact CG2-CG1 4.04Å; I100-Q103 PolarHBondContact O-N 3.44Å; I100-T123 HydrophobicContact CG2-CG2 4.42Å; I100-T123 VanDerWaalsContact O-CA 3.24Å; I100-T123 WeakPolarHBondContact O-CA 3.41Å; I100-T123 WeakPolarHBondContact O-CB 3.28Å; I100-V124 WeakPolarHBondContact CA-O 3.17Å; I100-V124 WeakPolarHBondContact CG1-O 3.3Å
101	A	97.8	Very high	97.6	Very high	30 Å²	30	31.1 Å²	31.1	25%	0.248	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-27	-177.4	0	0	0	0	0	112.1	Q81 I82 D99 Q103 L329	Q81-A101 HydrophobicContact CB-CB 3.77Å; I82-A101 HydrophobicContact CD1-CB 4.06Å; I82-A101 HydrophobicContact CG1-CB 4.1Å; D99-A101 PolarHBondContact O-N 3.48Å; D99-A101 PolarHBondContact OD1-N 3.19Å; A101-Q103 PolarHBondContact O-N 2.86Å; A101-L329 HydrophobicContact CB-CD2 3.99Å
102	G	98.2	Very high	97.8	Very high	15 Å²	15	29.6 Å²	29.6	16%	0.155	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-10.4	169.6	0	0	0	0	0	114.4	D99	D99-G102 VanDerWaalsContact CG-CA 3.47Å; D99-G102 VanDerWaalsContact CG-N 3.3Å; D99-G102 CarbonylContact O-C 3.55Å; D99-G102 PolarHBondContact O-N 2.87Å; D99-G102 PolarHBondContact OD1-N 3.14Å; D99-G102 WeakPolarHBondContact OD2-CA 3.31Å
103	Q	98.6	Very high	97.9	Very high	63 Å²	63	30 Å²	30	29%	0.294	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	46.1	178.5	-55.9	178.4	-2.3	0	0	112.4	D99 I100 A101 Q119 T120	D99-Q103 WeakPolarHBondContact O-CA 3.12Å; D99-Q103 PolarHBondContact O-N 2.98Å; I100-Q103 PolarHBondContact O-N 3.44Å; A101-Q103 PolarHBondContact O-N 2.86Å; Q103-Q119 VanDerWaalsContact CB-NE2 3.29Å; Q103-Q119 PolarHBondContact O-NE2 2.97Å; Q103-T120 VanDerWaalsContact C-OG1 3.23Å; Q103-T120 PolarHBondContact O-N 2.61Å; Q103-T120 PolarHBondContact O-OG1 3.2Å
104	K	98.7	Very high	98	Very high	72 Å²	72	33.7 Å²	33.7	31%	0.313	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	143.7	-177.8	-71	175.2	-168.4	175.9	0	112.2	V98 D99 L118 Q119 V124	V98-K104 CarbonylContact C-O 3.54Å; V98-K104 VanDerWaalsContact CA-O 3.28Å; V98-K104 WeakPolarHBondContact CA-O 3.39Å; D99-K104 PolarHBondContact N-O 3.46Å; D99-K104 PolarHBondContact O-N 2.84Å; D99-K104 VanDerWaalsContact O-N 3.17Å; K104-L118 VanDerWaalsContact CA-O 3.3Å; K104-L118 WeakPolarHBondContact CA-O 3.44Å; K104-Q119 VanDerWaalsContact CE-OE1 3.24Å; K104-V124 WeakPolarHBondContact O-CG1 3.21Å
105	I	98.9	Very high	98	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	127.7	162.5	-55.2	173.4	0	0	0	107	L96 V98 S117 L118 T120 V124 A127 A137 V146 W148	L96-I105 HydrophobicContact CD1-CG2 3.62Å; L96-I105 HydrophobicContact CG-CG2 4.49Å; V98-I105 HydrophobicContact CG1-CG1 4.25Å; I105-S117 CarbonylContact O-C 3.46Å; I105-S117 VanDerWaalsContact O-CA 3.27Å; I105-S117 WeakPolarHBondContact O-CA 3.04Å; I105-L118 HydrophobicContact CD1-CD2 4.49Å; I105-L118 PolarHBondContact N-O 3.2Å; I105-L118 PolarHBondContact O-N 2.87Å; I105-T120 HydrophobicContact CD1-CG2 4.18Å; I105-T120 HydrophobicContact CG1-CG2 4.16Å; I105-V124 HydrophobicContact CD1-CG2 4.16Å; I105-V124 HydrophobicContact CG1-CG1 4.33Å; I105-V124 HydrophobicContact CG1-CG2 3.81Å; I105-A127 HydrophobicContact CD1-CB 4.18Å; I105-A127 HydrophobicContact CG1-CB 4.33Å; I105-A127 HydrophobicContact CG2-CB 3.86Å; I105-A137 HydrophobicContact CD1-CB 3.84Å; I105-V146 HydrophobicContact CD1-CG2 3.99Å; I105-W148 HydrophobicContact CB-CZ3 4.28Å; I105-W148 HydrophobicContact CG2-CZ3 3.94Å
106	H	98.8	Very high	97.9	Very high	2 Å²	2	41 Å²	41	1%	0.009	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	139.7	-178.5	-65.1	-74.3	0	0	0	111	E78 L96 F97 I115 Q116 S117	E78-H106 IonicContact OE2-CE1 3.47Å; L96-H106 CarbonylContact C-O 3.52Å; L96-H106 VanDerWaalsContact CA-O 3.3Å; L96-H106 WeakPolarHBondContact CA-O 3.2Å; F97-H106 HydrophobicContact CD1-CB 3.83Å; F97-H106 HydrophobicContact CD2-CB 4.03Å; F97-H106 AromaticContact CD2-CD2 3.93Å; F97-H106 HydrophobicContact CE1-CB 3.42Å; F97-H106 VanDerWaalsContact CE1-CB 3.42Å; F97-H106 HydrophobicContact CE2-CB 3.65Å; F97-H106 AromaticContact CE2-CD2 3.41Å; F97-H106 VanDerWaalsContact CE2-CD2 3.41Å; F97-H106 WeakPolarHBondContact CE2-CD2 3.26Å; F97-H106 AromaticContact CE2-CG 3.66Å; F97-H106 HydrophobicContact CG-CB 4.1Å; F97-H106 HydrophobicContact CZ-CB 3.32Å; F97-H106 AromaticContact CZ-CD2 3.88Å; F97-H106 AromaticContact CZ-CG 3.63Å; F97-H106 PolarHBondContact N-O 2.88Å; F97-H106 PolarHBondContact O-N 2.88Å; H106-I115 HydrophobicContact CB-CD1 4.17Å; H106-Q116 CarbonylContact C-O 3.57Å; H106-Q116 WeakPolarHBondContact CA-O 3.39Å; H106-S117 PolarHBondContact CE1-OG 3.15Å; H106-S117 PolarHBondContact ND1-OG 2.96Å
107	R	98.4	Very high	97.9	Very high	23 Å²	23	43.3 Å²	43.3	9%	0.087	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	115.7	165.7	-70.8	-178.1	80.7	-155.5	9.8	108.7	E89 E92 T94 L95 L96 I115 Q116 Y135 W148	E89-R107 IonicContact OE2-CZ 2.77Å; E89-R107 IonicContact OE2-NE 2.7Å; E89-R107 PolarHBondContact OE2-NE 3.16Å; E89-R107 IonicContact OE2-NH2 3.72Å; E89-R107 PolarHBondContact OE2-NH2 3.16Å; E92-R107 IonicContact OE1-NH2 3.55Å; E92-R107 IonicContact OE2-CZ 2.79Å; E92-R107 IonicContact OE2-NH1 3.62Å; E92-R107 IonicContact OE2-NH2 3.43Å; E92-R107 PolarHBondContact OE2-NH2 2.9Å; T94-R107 HydrophobicContact CG2-CB 3.83Å; T94-R107 HydrophobicContact CG2-CG 4.27Å; L95-R107 WeakPolarHBondContact O-CA 3.25Å; L96-R107 HydrophobicContact CD1-CG 3.62Å; R107-I115 CarbonylContact O-C 3.58Å; R107-I115 WeakPolarHBondContact O-CA 3.48Å; R107-Q116 PolarHBondContact N-O 3.45Å; R107-Q116 PolarHBondContact O-N 2.77Å; R107-Y135 VanDerWaalsContact CD-OH 3.28Å; R107-Y135 WeakPolarHBondContact CD-OH 3.48Å; R107-Y135 PolarHBondContact NE-OH 3.41Å; R107-Y135 PolarHBondContact NH2-OH 3.35Å; R107-W148 HydrophobicContact CB-CH2 4.17Å; R107-W148 HydrophobicContact CB-CZ2 3.79Å; R107-W148 VanDerWaalsContact CD-CD2 3.45Å; R107-W148 HydrophobicContact CG-CD2 4.36Å; R107-W148 HydrophobicContact CG-CE3 4.44Å; R107-W148 HydrophobicContact CG-CH2 3.65Å; R107-W148 HydrophobicContact CG-CZ2 3.56Å; R107-W148 HydrophobicContact CG-CZ3 4.11Å; R107-W148 VanDerWaalsContact NH1-CD1 3.28Å
108	W	98.7	Very high	97.9	Very high	10 Å²	10	43.5 Å²	43.5	4%	0.038	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	119.9	175.9	170	75.1	0	0	0	110.2	V75 V76 T94 L95 F97 N113 Q114 I115 Y323	V75-W108 HydrophobicContact CB-CH2 3.81Å; V75-W108 HydrophobicContact CB-CZ2 3.9Å; V75-W108 HydrophobicContact CG1-CH2 4.44Å; V75-W108 HydrophobicContact CG2-CH2 3.98Å; V75-W108 HydrophobicContact CG2-CZ2 4.41Å; V75-W108 HydrophobicContact CG2-CZ3 4.31Å; V76-W108 HydrophobicContact CG2-CB 3.96Å; V76-W108 HydrophobicContact CG2-CD2 3.5Å; V76-W108 VanDerWaalsContact CG2-CD2 3.5Å; V76-W108 HydrophobicContact CG2-CE3 4.03Å; V76-W108 HydrophobicContact CG2-CG 3.47Å; V76-W108 VanDerWaalsContact CG2-CG 3.47Å; T94-W108 CarbonylContact C-O 3.48Å; T94-W108 VanDerWaalsContact CA-O 3.3Å; T94-W108 WeakPolarHBondContact CA-O 3.19Å; L95-W108 HydrophobicContact CB-CE3 3.79Å; L95-W108 HydrophobicContact CB-CZ3 4.44Å; L95-W108 HydrophobicContact CD2-CE3 4.43Å; L95-W108 PolarHBondContact N-O 3.2Å; L95-W108 PolarHBondContact O-N 3.1Å; F97-W108 HydrophobicContact CE1-CB 4.24Å; W108-N113 PolarHBondContact NE1-OD1 2.81Å; W108-Q114 WeakPolarHBondContact CA-O 3.37Å; W108-I115 HydrophobicContact CB-CD1 4.49Å; W108-I115 HydrophobicContact CB-CG1 4.33Å; W108-Y323 HydrophobicContact CH2-CE1 4.07Å; W108-Y323 HydrophobicContact CZ3-CD1 4.39Å; W108-Y323 AromaticContact CZ3-CE1 3.54Å; W108-Y323 HydrophobicContact CZ3-CE1 3.54Å
109	N	98.2	Very high	97.9	Very high	35 Å²	35	48.7 Å²	48.7	19%	0.187	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	118.9	175.9	-174.4	-75.1	0	0	0	109.8	E92 T94 A111 T112 N113 Q114	E92-N109 PolarHBondContact O-ND2 3.05Å; T94-N109 PolarHBondContact OG1-ND2 2.84Å; N109-A111 VanDerWaalsContact C-N 3.27Å; N109-A111 PolarHBondContact O-N 3.21Å; N109-A111 WeakPolarHBondContact OD1-CA 3.4Å; N109-A111 WeakPolarHBondContact OD1-CB 3.31Å; N109-A111 PolarHBondContact OD1-N 2.91Å; N109-T112 WeakPolarHBondContact CB-OG1 3.44Å; N109-T112 PolarHBondContact OD1-N 3.33Å; N109-T112 PolarHBondContact OD1-OG1 3.19Å; N109-N113 VanDerWaalsContact O-CA 3.23Å; N109-N113 WeakPolarHBondContact O-CA 3.39Å; N109-N113 PolarHBondContact O-N 2.82Å; N109-Q114 PolarHBondContact N-O 3.06Å
110	S	97.1	Very high	97.8	Very high	37 Å²	37	48.6 Å²	48.6	26%	0.259	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-22.3	-174.5	72.3	0	0	0	0	113.5	W88 Q93	W88-S110 WeakPolarHBondContact CH2-OG 3.46Å; Q93-S110 PolarHBondContact O-N 2.92Å; Q93-S110 PolarHBondContact O-OG 3.11Å
111	A	93.6	Very high	97.8	Very high	83 Å²	83	53.2 Å²	53.2	69%	0.686	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-41	-178.7	0	0	0	0	0	112	N109	N109-A111 VanDerWaalsContact C-N 3.27Å; N109-A111 PolarHBondContact O-N 3.21Å; N109-A111 WeakPolarHBondContact OD1-CA 3.4Å; N109-A111 WeakPolarHBondContact OD1-CB 3.31Å; N109-A111 PolarHBondContact OD1-N 2.91Å
112	T	96.2	Very high	97.8	Very high	80 Å²	80	54 Å²	54	49%	0.491	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-12.6	-179.9	68.2	0	0	0	0	113.3	N109 Q114	N109-T112 WeakPolarHBondContact CB-OG1 3.44Å; N109-T112 PolarHBondContact OD1-N 3.33Å; N109-T112 PolarHBondContact OD1-OG1 3.19Å; T112-Q114 PolarHBondContact O-N 2.81Å; T112-Q114 WeakPolarHBondContact OG1-CB 3.38Å; T112-Q114 PolarHBondContact OG1-N 2.79Å
113	N	96.1	Very high	97.8	Very high	108 Å²	108	54.3 Å²	54.3	58%	0.578	31%	0.307	S	S	*	.			trans	57.7	20.2	-171.4	-163.9	44.2	0	0	0	113.7	W108 N109	W108-N113 PolarHBondContact NE1-OD1 2.81Å; N109-N113 VanDerWaalsContact O-CA 3.23Å; N109-N113 WeakPolarHBondContact O-CA 3.39Å; N109-N113 PolarHBondContact O-N 2.82Å
114	Q	97.4	Very high	97.8	Very high	128 Å²	128	51.3 Å²	51.3	60%	0.598	29%	0.293	S	S	*	.			trans	-85.6	140.4	176	-67.4	-177.2	-12.5	0	0	110.3	W108 N109 T112	W108-Q114 WeakPolarHBondContact CA-O 3.37Å; N109-Q114 PolarHBondContact N-O 3.06Å; T112-Q114 PolarHBondContact O-N 2.81Å; T112-Q114 WeakPolarHBondContact OG1-CB 3.38Å; T112-Q114 PolarHBondContact OG1-N 2.79Å
115	I	97.8	Very high	97.8	Very high	54 Å²	54	47.9 Å²	47.9	28%	0.277	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	136.6	172	-168.9	166.7	0	0	0	110.2	V76 E78 F97 H106 R107 W108	V76-I115 HydrophobicContact CG1-CD1 3.8Å; E78-I115 HydrophobicContact CG-CD1 3.49Å; E78-I115 VanDerWaalsContact CG-CD1 3.49Å; F97-I115 HydrophobicContact CE1-CD1 4.28Å; F97-I115 HydrophobicContact CZ-CD1 3.91Å; H106-I115 HydrophobicContact CB-CD1 4.17Å; R107-I115 CarbonylContact O-C 3.58Å; R107-I115 WeakPolarHBondContact O-CA 3.48Å; W108-I115 HydrophobicContact CB-CD1 4.49Å; W108-I115 HydrophobicContact CB-CG1 4.33Å
116	Q	98	Very high	97.8	Very high	104 Å²	104	47.9 Å²	47.9	49%	0.486	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	144.7	171.8	-65.6	-179.1	-31	0	0	108.7	H106 R107 W148	H106-Q116 CarbonylContact C-O 3.57Å; H106-Q116 WeakPolarHBondContact CA-O 3.39Å; R107-Q116 PolarHBondContact N-O 3.45Å; R107-Q116 PolarHBondContact O-N 2.77Å; Q116-W148 HydrophobicContact CB-CZ2 3.74Å; Q116-W148 VanDerWaalsContact OE1-NE1 3.09Å
117	S	98.3	Very high	97.8	Very high	48 Å²	48	47.9 Å²	47.9	34%	0.336	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	140	-174.9	-51.7	0	0	0	0	110.6	I105 H106	I105-S117 CarbonylContact O-C 3.46Å; I105-S117 VanDerWaalsContact O-CA 3.27Å; I105-S117 WeakPolarHBondContact O-CA 3.04Å; H106-S117 PolarHBondContact CE1-OG 3.15Å; H106-S117 PolarHBondContact ND1-OG 2.96Å
118	L	98.6	Very high	97.8	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.021	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	126.5	171.6	-177.9	149.9	0	0	0	109	K104 I105 T120 V146 W148 Q151 V153	K104-L118 VanDerWaalsContact CA-O 3.3Å; K104-L118 WeakPolarHBondContact CA-O 3.44Å; I105-L118 HydrophobicContact CD1-CD2 4.49Å; I105-L118 PolarHBondContact N-O 3.2Å; I105-L118 PolarHBondContact O-N 2.87Å; L118-T120 HydrophobicContact CD2-CG2 4.05Å; L118-V146 HydrophobicContact CD1-CG1 3.64Å; L118-W148 HydrophobicContact CB-CE3 4.49Å; L118-W148 HydrophobicContact CB-CH2 4.08Å; L118-W148 HydrophobicContact CB-CZ3 3.79Å; L118-Q151 HydrophobicContact CD1-CB 3.77Å; L118-Q151 HydrophobicContact CD1-CG 4.15Å; L118-V153 HydrophobicContact CD2-CG2 4.05Å
119	Q	98.5	Very high	97.7	Very high	110 Å²	110	47.3 Å²	47.3	51%	0.514	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	131	176.8	-175	65.8	48.7	0	0	110.3	Q103 K104	Q103-Q119 VanDerWaalsContact CB-NE2 3.29Å; Q103-Q119 PolarHBondContact O-NE2 2.97Å; K104-Q119 VanDerWaalsContact CE-OE1 3.24Å
120	T	98.4	Very high	97.7	Very high	10 Å²	10	48.4 Å²	48.4	6%	0.061	28%	0.28	C	S	.	.			trans	-99.6	162.5	174.3	57.7	0	0	0	0	111.2	Q103 I105 L118 D122 V124 V139	Q103-T120 VanDerWaalsContact C-OG1 3.23Å; Q103-T120 PolarHBondContact O-N 2.61Å; Q103-T120 PolarHBondContact O-OG1 3.2Å; I105-T120 HydrophobicContact CD1-CG2 4.18Å; I105-T120 HydrophobicContact CG1-CG2 4.16Å; L118-T120 HydrophobicContact CD2-CG2 4.05Å; T120-D122 VanDerWaalsContact C-N 3.31Å; T120-D122 PolarHBondContact OG1-O 2.97Å; T120-V124 HydrophobicContact CG2-CB 4.07Å; T120-V124 HydrophobicContact CG2-CG1 4.2Å; T120-V124 HydrophobicContact CG2-CG2 4.39Å; T120-V139 HydrophobicContact CG2-CG2 3.92Å
121	A	97.5	Very high	97.7	Very high	102 Å²	102	53.6 Å²	53.6	84%	0.843	30%	0.295	S	S	*	.	S	Bend	trans	-79.3	-13.8	-179.1	0	0	0	0	0	113.9
122	D	97.8	Very high	97.8	Very high	47 Å²	47	53.6 Å²	53.6	25%	0.251	29%	0.289	S	S	.	.	S	Bend	trans	-153.9	179.9	-179.2	-162.3	-9.4	0	0	0	108.8	T120 V124 V139 G140 R186	T120-D122 VanDerWaalsContact C-N 3.31Å; T120-D122 PolarHBondContact OG1-O 2.97Å; D122-V124 PolarHBondContact O-N 2.77Å; D122-V139 HydrophobicContact CB-CG1 3.88Å; D122-G140 WeakPolarHBondContact OD2-CA 3.4Å; D122-R186 IonicContact OD1-CZ 2.96Å; D122-R186 IonicContact OD1-NH1 2.69Å; D122-R186 PolarHBondContact OD1-NH1 3.39Å; D122-R186 IonicContact OD1-NH2 2.69Å; D122-R186 IonicContact OD2-CZ 2.77Å; D122-R186 IonicContact OD2-NH1 2.69Å; D122-R186 PolarHBondContact OD2-NH1 3.35Å; D122-R186 IonicContact OD2-NH2 3.1Å; D122-R186 PolarHBondContact OD2-NH2 3.17Å
123	T	98	Very high	97.8	Very high	20 Å²	20	52 Å²	52	12%	0.123	29%	0.289	C	S	.	.			trans	-51.9	132	175.8	58.4	0	0	0	0	111	I100 V139 G140 R167 R186	I100-T123 HydrophobicContact CG2-CG2 4.42Å; I100-T123 VanDerWaalsContact O-CA 3.24Å; I100-T123 WeakPolarHBondContact O-CA 3.41Å; I100-T123 WeakPolarHBondContact O-CB 3.28Å; T123-V139 CarbonylContact O-C 3.5Å; T123-V139 WeakPolarHBondContact O-CA 3.4Å; T123-G140 PolarHBondContact O-N 2.82Å; T123-R167 WeakPolarHBondContact OG1-CD 3.37Å; T123-R186 PolarHBondContact OG1-NH1 3.36Å
124	V	98.6	Very high	97.8	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	106.4	179	52.8	0	0	0	0	109.9	V98 I100 K104 I105 T120 D122 A137 G138 V139	V98-V124 HydrophobicContact CB-CG1 4.12Å; V98-V124 HydrophobicContact CB-CG2 4.47Å; V98-V124 HydrophobicContact CG1-CG1 4.35Å; V98-V124 HydrophobicContact CG1-CG2 3.91Å; V98-V124 WeakPolarHBondContact CG2-O 3.34Å; I100-V124 WeakPolarHBondContact CA-O 3.17Å; I100-V124 WeakPolarHBondContact CG1-O 3.3Å; K104-V124 WeakPolarHBondContact O-CG1 3.21Å; I105-V124 HydrophobicContact CD1-CG2 4.16Å; I105-V124 HydrophobicContact CG1-CG1 4.33Å; I105-V124 HydrophobicContact CG1-CG2 3.81Å; T120-V124 HydrophobicContact CG2-CB 4.07Å; T120-V124 HydrophobicContact CG2-CG1 4.2Å; T120-V124 HydrophobicContact CG2-CG2 4.39Å; D122-V124 PolarHBondContact O-N 2.77Å; V124-A137 HydrophobicContact CG2-CB 4.22Å; V124-G138 CarbonylContact C-O 3.58Å; V124-G138 VanDerWaalsContact CA-O 3.23Å; V124-G138 WeakPolarHBondContact CA-O 3.44Å; V124-V139 HydrophobicContact CB-CG2 4.31Å; V124-V139 HydrophobicContact CG2-CG2 4.24Å
125	G	98.1	Very high	97.9	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	-35.8	-171.5	0	0	0	0	0	113.9	G138 N169	G125-G138 PolarHBondContact N-O 2.83Å; G125-N169 CarbonylContact C-O 3.48Å; G125-N169 WeakPolarHBondContact CA-O 3.4Å; G125-N169 VanDerWaalsContact O-O 3.13Å
126	F	98.8	Very high	97.9	Very high	1 Å²	1	39.8 Å²	39.8	0%	0.004	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	161.6	178.2	66.3	-90.5	0	0	0	110.3	V128 A137 G138 L168 L179 A181	F126-V128 HydrophobicContact CD2-CG1 4.35Å; F126-A137 VanDerWaalsContact O-CA 3.25Å; F126-A137 WeakPolarHBondContact O-CA 3.25Å; F126-A137 VanDerWaalsContact O-CB 3.32Å; F126-A137 WeakPolarHBondContact O-CB 3.17Å; F126-G138 PolarHBondContact O-N 3.13Å; F126-G138 VanDerWaalsContact O-N 3.12Å; F126-L168 HydrophobicContact CE1-CB 4.25Å; F126-L168 HydrophobicContact CE1-CD1 4.22Å; F126-L168 HydrophobicContact CE1-CD2 4.45Å; F126-L179 HydrophobicContact CD2-CD1 4.37Å; F126-L179 HydrophobicContact CE2-CD1 3.7Å; F126-L179 HydrophobicContact CE2-CD2 3.93Å; F126-L179 HydrophobicContact CE2-CG 4.37Å; F126-L179 HydrophobicContact CZ-CD1 4.14Å; F126-L179 HydrophobicContact CZ-CD2 3.92Å; F126-L179 HydrophobicContact CZ-CG 4.44Å; F126-A181 HydrophobicContact CD1-CB 4.48Å; F126-A181 HydrophobicContact CE1-CB 3.54Å; F126-A181 HydrophobicContact CZ-CB 3.73Å
127	A	98.8	Very high	98	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.008	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	134.2	162.5	0	0	0	0	0	108.5	L96 V98 I105 V136 A137	L96-A127 HydrophobicContact CD2-CB 3.86Å; L96-A127 WeakPolarHBondContact CD2-O 3.31Å; L96-A127 HydrophobicContact CG-CB 4.28Å; V98-A127 HydrophobicContact CG1-CB 3.93Å; I105-A127 HydrophobicContact CD1-CB 4.18Å; I105-A127 HydrophobicContact CG1-CB 4.33Å; I105-A127 HydrophobicContact CG2-CB 3.86Å; A127-V136 CarbonylContact C-O 3.56Å; A127-V136 WeakPolarHBondContact CA-O 3.29Å; A127-A137 HydrophobicContact CB-CB 4.1Å
128	V	98.4	Very high	98	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.018	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	149.2	177.6	-56.8	0	0	0	0	111	V87 F126 Y135 V136 A173 L179	V87-V128 HydrophobicContact CG2-CG1 4.38Å; F126-V128 HydrophobicContact CD2-CG1 4.35Å; V128-Y135 CarbonylContact O-C 3.54Å; V128-Y135 VanDerWaalsContact O-CA 3.29Å; V128-Y135 WeakPolarHBondContact O-CA 3.36Å; V128-Y135 WeakPolarHBondContact O-CB 3.25Å; V128-V136 HydrophobicContact CG2-CG1 3.3Å; V128-V136 PolarHBondContact N-O 2.77Å; V128-V136 PolarHBondContact O-N 3.17Å; V128-A173 HydrophobicContact CG2-CB 4.46Å; V128-L179 HydrophobicContact CG2-CD1 4.01Å
129	P	98.4	Very high	98	Very high	18 Å²	18	33.1 Å²	33.1	12%	0.117	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	145.6	175.6	-27	35.3	0	0	0	112.8	V87 E89 A360 F361	V87-P129 HydrophobicContact CG1-CG 4.06Å; E89-P129 HydrophobicContact CG-CG 4.14Å; P129-A360 HydrophobicContact CB-CB 4.01Å; P129-A360 CarbonylContact O-C 3.53Å; P129-A360 VanDerWaalsContact O-CA 3.22Å; P129-A360 WeakPolarHBondContact O-CA 3.21Å; P129-A360 WeakPolarHBondContact O-CB 3.38Å; P129-F361 PolarHBondContact O-N 2.59Å
130	R	97.9	Very high	98	Very high	58 Å²	58	27.9 Å²	27.9	22%	0.219	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-112.6	132.1	174.4	-168.6	-178.3	-177.3	-154.7	-2.9	109.5	S132 G133 G134 F361 G363	R130-S132 VanDerWaalsContact CD-OG 3.29Å; R130-S132 WeakPolarHBondContact CD-OG 3.27Å; R130-S132 WeakPolarHBondContact CG-OG 3.48Å; R130-S132 PolarHBondContact NE-OG 2.81Å; R130-S132 VanDerWaalsContact NE-OG 3.16Å; R130-S132 PolarHBondContact O-N 2.87Å; R130-G133 WeakPolarHBondContact O-CA 3.2Å; R130-G133 PolarHBondContact O-N 2.73Å; R130-G134 PolarHBondContact N-O 3.43Å; R130-F361 HydrophobicContact CG-CD1 4.39Å; R130-G363 VanDerWaalsContact CZ-O 3.29Å; R130-G363 PolarHBondContact NE-O 3.4Å; R130-G363 VanDerWaalsContact NH2-C 3.26Å; R130-G363 PolarHBondContact NH2-O 3.15Å; R130-G363 VanDerWaalsContact NH2-O 3.1Å; R130-G363 PolarHBondContact NH2-OXT 2.56Å
131	R	96.8	Very high	97.9	Very high	147 Å²	147	28.3 Å²	28.3	56%	0.555	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-29.3	-177.5	-67.8	-175.6	-172.6	179.9	-2.7	113	G133 A360 F361 S362	R131-G133 PolarHBondContact O-N 2.98Å; R131-A360 HydrophobicContact CG-CB 3.7Å; R131-A360 PolarHBondContact NE-O 3.01Å; R131-F361 WeakPolarHBondContact CG-O 3.46Å; R131-F361 PolarHBondContact N-O 3.18Å; R131-S362 VanDerWaalsContact CD-OG 3.31Å; R131-S362 WeakPolarHBondContact CD-OG 3.27Å; R131-S362 PolarHBondContact NE-OG 2.93Å; R131-S362 VanDerWaalsContact NE-OG 3.11Å; R131-S362 PolarHBondContact NH1-OG 3.12Å
132	S	95.3	Very high	98	Very high	82 Å²	82	25.3 Å²	25.3	57%	0.573	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.1	3.4	175.6	68.8	0	0	0	0	114	R130	R130-S132 VanDerWaalsContact CD-OG 3.29Å; R130-S132 WeakPolarHBondContact CD-OG 3.27Å; R130-S132 WeakPolarHBondContact CG-OG 3.48Å; R130-S132 PolarHBondContact NE-OG 2.81Å; R130-S132 VanDerWaalsContact NE-OG 3.16Å; R130-S132 PolarHBondContact O-N 2.87Å
133	G	95.6	Very high	98	Very high	47 Å²	47	23.2 Å²	23.2	49%	0.485	14%	0.139	S	C	.	.	S	Bend	trans	96.7	151.6	-172.9	0	0	0	0	0	113.2	R130 R131	R130-G133 WeakPolarHBondContact O-CA 3.2Å; R130-G133 PolarHBondContact O-N 2.73Å; R131-G133 PolarHBondContact O-N 2.98Å
134	G	97.5	Very high	98.1	Very high	25 Å²	25	22.6 Å²	22.6	26%	0.258	14%	0.135	S	C	.	.	S	Bend	trans	72.7	-153.5	-173.8	0	0	0	0	0	112.7	R130 V146	R130-G134 PolarHBondContact N-O 3.43Å; G134-V146 WeakPolarHBondContact CA-O 3.48Å
135	Y	98.7	Very high	98.1	Very high	8 Å²	8	23.1 Å²	23.1	3%	0.031	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	161.8	-175.9	-51.6	-72.7	0	0	0	111.7	E89 L96 R107 V128 A145 V146 W148	E89-Y135 WeakPolarHBondContact OE1-CE1 3.22Å; E89-Y135 PolarHBondContact OE1-OH 3.26Å; E89-Y135 PolarHBondContact OE2-OH 3.23Å; L96-Y135 HydrophobicContact CD1-CD1 4.21Å; L96-Y135 HydrophobicContact CD1-CE1 4.02Å; L96-Y135 HydrophobicContact CD1-CE2 4.29Å; L96-Y135 HydrophobicContact CD1-CG 4.48Å; L96-Y135 HydrophobicContact CD2-CD1 3.51Å; L96-Y135 HydrophobicContact CD2-CE1 3.72Å; L96-Y135 HydrophobicContact CD2-CG 4.25Å; L96-Y135 HydrophobicContact CG-CE1 4.44Å; R107-Y135 VanDerWaalsContact CD-OH 3.28Å; R107-Y135 WeakPolarHBondContact CD-OH 3.48Å; R107-Y135 PolarHBondContact NE-OH 3.41Å; R107-Y135 PolarHBondContact NH2-OH 3.35Å; V128-Y135 CarbonylContact O-C 3.54Å; V128-Y135 VanDerWaalsContact O-CA 3.29Å; V128-Y135 WeakPolarHBondContact O-CA 3.36Å; V128-Y135 WeakPolarHBondContact O-CB 3.25Å; Y135-A145 CarbonylContact O-C 3.57Å; Y135-A145 WeakPolarHBondContact O-CA 3.33Å; Y135-V146 PolarHBondContact N-O 2.94Å; Y135-V146 PolarHBondContact O-N 2.93Å; Y135-W148 HydrophobicContact CD2-CB 4.48Å; Y135-W148 AromaticContact CD2-CE3 3.89Å; Y135-W148 HydrophobicContact CD2-CE3 3.89Å; Y135-W148 HydrophobicContact CE2-CB 3.93Å; Y135-W148 AromaticContact CE2-CD2 3.91Å; Y135-W148 HydrophobicContact CE2-CD2 3.91Å; Y135-W148 AromaticContact CE2-CE3 3.6Å; Y135-W148 HydrophobicContact CE2-CE3 3.6Å; Y135-W148 HydrophobicContact CE2-CG 4.05Å; Y135-W148 HydrophobicContact CE2-CZ3 4.39Å
136	V	98.8	Very high	98.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	137.1	157.5	63.7	0	0	0	0	108.5	A127 V128 I143 V144 L156 L179 F361	A127-V136 CarbonylContact C-O 3.56Å; A127-V136 WeakPolarHBondContact CA-O 3.29Å; V128-V136 HydrophobicContact CG2-CG1 3.3Å; V128-V136 PolarHBondContact N-O 2.77Å; V128-V136 PolarHBondContact O-N 3.17Å; V136-I143 HydrophobicContact CG2-CG2 3.43Å; V136-I143 VanDerWaalsContact CG2-CG2 3.43Å; V136-V144 CarbonylContact C-O 3.51Å; V136-V144 VanDerWaalsContact CA-O 3.25Å; V136-V144 WeakPolarHBondContact CA-O 3.19Å; V136-V144 WeakPolarHBondContact CG2-O 3.47Å; V136-L156 HydrophobicContact CG2-CD1 4.04Å; V136-L179 HydrophobicContact CG1-CD2 4.17Å; V136-L179 HydrophobicContact CG2-CD2 3.91Å; V136-F361 HydrophobicContact CB-CD1 4.13Å; V136-F361 HydrophobicContact CG1-CB 3.63Å; V136-F361 HydrophobicContact CG1-CD1 3.85Å; V136-F361 HydrophobicContact CG1-CG 3.95Å; V136-F361 HydrophobicContact CG2-CD1 4.38Å
137	A	98.9	Very high	98.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	155.5	-175	0	0	0	0	0	111.5	I105 V124 F126 A127 I143 V144 V146	I105-A137 HydrophobicContact CD1-CB 3.84Å; V124-A137 HydrophobicContact CG2-CB 4.22Å; F126-A137 VanDerWaalsContact O-CA 3.25Å; F126-A137 WeakPolarHBondContact O-CA 3.25Å; F126-A137 VanDerWaalsContact O-CB 3.32Å; F126-A137 WeakPolarHBondContact O-CB 3.17Å; A127-A137 HydrophobicContact CB-CB 4.1Å; A137-I143 WeakPolarHBondContact O-CA 3.5Å; A137-V144 HydrophobicContact CB-CG2 4.04Å; A137-V144 PolarHBondContact N-O 3.16Å; A137-V144 PolarHBondContact O-N 2.81Å; A137-V146 HydrophobicContact CB-CG2 4.13Å
138	G	98.8	Very high	98	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	104.8	172.8	0	0	0	0	0	111	V124 G125 F126 S142 L168	V124-G138 CarbonylContact C-O 3.58Å; V124-G138 VanDerWaalsContact CA-O 3.23Å; V124-G138 WeakPolarHBondContact CA-O 3.44Å; G125-G138 PolarHBondContact N-O 2.83Å; F126-G138 PolarHBondContact O-N 3.13Å; F126-G138 VanDerWaalsContact O-N 3.12Å; G138-S142 CarbonylContact C-O 3.58Å; G138-S142 WeakPolarHBondContact CA-O 3.43Å; G138-L168 VanDerWaalsContact CA-CD1 3.49Å
139	V	98.6	Very high	97.9	Very high	16 Å²	16	32.9 Å²	32.9	10%	0.097	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	112.3	-179.9	-179.9	0	0	0	0	109.4	T120 D122 T123 V124 C141 S142 V144	T120-V139 HydrophobicContact CG2-CG2 3.92Å; D122-V139 HydrophobicContact CB-CG1 3.88Å; T123-V139 CarbonylContact O-C 3.5Å; T123-V139 WeakPolarHBondContact O-CA 3.4Å; V124-V139 HydrophobicContact CB-CG2 4.31Å; V124-V139 HydrophobicContact CG2-CG2 4.24Å; V139-C141 PolarHBondContact O-N 3.32Å; V139-S142 PolarHBondContact N-O 2.81Å; V139-S142 WeakPolarHBondContact O-CB 3.45Å; V139-S142 PolarHBondContact O-N 3.11Å; V139-V144 HydrophobicContact CB-CG1 4.49Å; V139-V144 HydrophobicContact CB-CG2 4.44Å; V139-V144 HydrophobicContact CG2-CG2 3.74Å
140	G	97.9	Very high	97.9	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.01	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	-120.8	-166.8	0	0	0	0	0	109.6	D122 T123 L168	D122-G140 WeakPolarHBondContact OD2-CA 3.4Å; T123-G140 PolarHBondContact O-N 2.82Å; G140-L168 WeakPolarHBondContact O-CB 3.49Å; G140-L168 PolarHBondContact O-N 2.77Å
141	C	97.7	Very high	97.8	Very high	19 Å²	19	39.4 Å²	39.4	13%	0.128	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	7	172.2	-86	0	0	0	0	113.8	V139 V159 N166	V139-C141 PolarHBondContact O-N 3.32Å; C141-V159 HydrophobicContact CB-CG2 4.46Å; C141-V159 VanDerWaalsContact CB-O 3.22Å; C141-V159 WeakPolarHBondContact CB-O 3.31Å; C141-V159 WeakPolarHBondContact O-CG2 3.38Å; C141-V159 PolarHBondContact O-N 2.8Å; C141-N166 VanDerWaalsContact SG-C 3.52Å; C141-N166 PolarHBondContact SG-O 3.09Å; C141-N166 VanDerWaalsContact SG-O 3.42Å
142	S	98.3	Very high	97.8	Very high	39 Å²	39	38.6 Å²	38.6	27%	0.273	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	136.6	179	-59.8	0	0	0	0	111.6	G138 V139	G138-S142 CarbonylContact C-O 3.58Å; G138-S142 WeakPolarHBondContact CA-O 3.43Å; V139-S142 PolarHBondContact N-O 2.81Å; V139-S142 WeakPolarHBondContact O-CB 3.45Å; V139-S142 PolarHBondContact O-N 3.11Å
143	I	98.8	Very high	98	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.01	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	122.8	167.4	-59.3	170.3	0	0	0	107.6	V136 A137 L156 A157 L168 L179 M201	V136-I143 HydrophobicContact CG2-CG2 3.43Å; V136-I143 VanDerWaalsContact CG2-CG2 3.43Å; A137-I143 WeakPolarHBondContact O-CA 3.5Å; I143-L156 WeakPolarHBondContact O-CB 3.28Å; I143-L156 PolarHBondContact O-N 3.06Å; I143-A157 HydrophobicContact CB-CB 4.49Å; I143-A157 PolarHBondContact N-O 2.97Å; I143-A157 PolarHBondContact O-N 3.42Å; I143-L168 HydrophobicContact CG1-CD1 3.95Å; I143-L179 HydrophobicContact CD1-CD2 4.3Å; I143-L179 HydrophobicContact CG2-CD2 3.77Å; I143-M201 HydrophobicContact CB-SD 4.17Å; I143-M201 HydrophobicContact CD1-CB 4.44Å; I143-M201 HydrophobicContact CD1-SD 3.68Å; I143-M201 HydrophobicContact CG2-CE 4.46Å; I143-M201 HydrophobicContact CG2-SD 3.66Å
144	V	98.8	Very high	98.1	Very high	8 Å²	8	38.4 Å²	38.4	5%	0.048	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	145.1	-171.5	-55	0	0	0	0	111.6	V136 A137 V139 V146 V153 T154	V136-V144 CarbonylContact C-O 3.51Å; V136-V144 VanDerWaalsContact CA-O 3.25Å; V136-V144 WeakPolarHBondContact CA-O 3.19Å; V136-V144 WeakPolarHBondContact CG2-O 3.47Å; A137-V144 HydrophobicContact CB-CG2 4.04Å; A137-V144 PolarHBondContact N-O 3.16Å; A137-V144 PolarHBondContact O-N 2.81Å; V139-V144 HydrophobicContact CB-CG1 4.49Å; V139-V144 HydrophobicContact CB-CG2 4.44Å; V139-V144 HydrophobicContact CG2-CG2 3.74Å; V144-V146 HydrophobicContact CG2-CG2 4.13Å; V144-V153 HydrophobicContact CB-CG1 3.65Å; V144-V153 HydrophobicContact CG1-CG1 4Å; V144-V153 HydrophobicContact CG2-CG1 3.57Å; V144-T154 CarbonylContact C-O 3.6Å; V144-T154 VanDerWaalsContact CA-O 3.23Å; V144-T154 WeakPolarHBondContact CA-O 3.27Å; V144-T154 WeakPolarHBondContact CB-O 3.33Å
145	A	98.8	Very high	98.1	Very high	10 Å²	10	41 Å²	41	8%	0.083	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	138.9	162.3	0	0	0	0	0	109.7	Y135 V153 T154 L156	Y135-A145 CarbonylContact O-C 3.57Å; Y135-A145 WeakPolarHBondContact O-CA 3.33Å; A145-V153 CarbonylContact O-C 3.47Å; A145-V153 WeakPolarHBondContact O-CA 3.18Å; A145-T154 PolarHBondContact N-O 3.06Å; A145-T154 PolarHBondContact O-N 3.43Å; A145-L156 HydrophobicContact CB-CD1 3.97Å; A145-L156 HydrophobicContact CB-CD2 3.92Å; A145-L156 HydrophobicContact CB-CG 4.04Å
146	V	98.8	Very high	98.1	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.018	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	114	176.8	-176.7	0	0	0	0	108.7	I105 L118 G134 Y135 A137 V144 V153	I105-V146 HydrophobicContact CD1-CG2 3.99Å; L118-V146 HydrophobicContact CD1-CG1 3.64Å; G134-V146 WeakPolarHBondContact CA-O 3.48Å; Y135-V146 PolarHBondContact N-O 2.94Å; Y135-V146 PolarHBondContact O-N 2.93Å; A137-V146 HydrophobicContact CB-CG2 4.13Å; V144-V146 HydrophobicContact CG2-CG2 4.13Å; V146-V153 HydrophobicContact CG2-CG2 4.44Å
147	D	98.3	Very high	98.1	Very high	65 Å²	65	43.3 Å²	43.3	35%	0.348	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	110.3	165.1	177.3	-15.4	0	0	0	108.2	S149 T150 Q151 K152	D147-S149 VanDerWaalsContact C-N 3.32Å; D147-S149 PolarHBondContact O-N 2.94Å; D147-S149 PolarHBondContact OD1-N 2.92Å; D147-S149 PolarHBondContact OD1-OG 3.46Å; D147-T150 WeakPolarHBondContact CB-OG1 3.36Å; D147-T150 PolarHBondContact OD1-N 3.12Å; D147-T150 WeakPolarHBondContact OD2-CG2 3.19Å; D147-T150 PolarHBondContact OD2-OG1 2.9Å; D147-Q151 CarbonylContact O-C 3.51Å; D147-Q151 WeakPolarHBondContact O-CA 3.46Å; D147-Q151 PolarHBondContact O-N 2.83Å; D147-K152 HydrophobicContact CB-CB 4.4Å; D147-K152 PolarHBondContact N-O 2.7Å; D147-K152 PolarHBondContact O-N 2.94Å
148	W	97.3	Very high	98	Very high	39 Å²	39	45.4 Å²	45.4	15%	0.148	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-34.8	-176.6	-165.5	-102	0	0	0	113.1	I105 R107 Q116 L118 Y135	I105-W148 HydrophobicContact CB-CZ3 4.28Å; I105-W148 HydrophobicContact CG2-CZ3 3.94Å; R107-W148 HydrophobicContact CB-CH2 4.17Å; R107-W148 HydrophobicContact CB-CZ2 3.79Å; R107-W148 VanDerWaalsContact CD-CD2 3.45Å; R107-W148 HydrophobicContact CG-CD2 4.36Å; R107-W148 HydrophobicContact CG-CE3 4.44Å; R107-W148 HydrophobicContact CG-CH2 3.65Å; R107-W148 HydrophobicContact CG-CZ2 3.56Å; R107-W148 HydrophobicContact CG-CZ3 4.11Å; R107-W148 VanDerWaalsContact NH1-CD1 3.28Å; Q116-W148 HydrophobicContact CB-CZ2 3.74Å; Q116-W148 VanDerWaalsContact OE1-NE1 3.09Å; L118-W148 HydrophobicContact CB-CE3 4.49Å; L118-W148 HydrophobicContact CB-CH2 4.08Å; L118-W148 HydrophobicContact CB-CZ3 3.79Å; Y135-W148 HydrophobicContact CD2-CB 4.48Å; Y135-W148 AromaticContact CD2-CE3 3.89Å; Y135-W148 HydrophobicContact CD2-CE3 3.89Å; Y135-W148 HydrophobicContact CE2-CB 3.93Å; Y135-W148 AromaticContact CE2-CD2 3.91Å; Y135-W148 HydrophobicContact CE2-CD2 3.91Å; Y135-W148 AromaticContact CE2-CE3 3.6Å; Y135-W148 HydrophobicContact CE2-CE3 3.6Å; Y135-W148 HydrophobicContact CE2-CG 4.05Å; Y135-W148 HydrophobicContact CE2-CZ3 4.39Å
149	S	96.4	Very high	97.9	Very high	103 Å²	103	45.6 Å²	45.6	72%	0.72	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-38.7	-174.3	69.9	0	0	0	0	112.1	D147	D147-S149 VanDerWaalsContact C-N 3.32Å; D147-S149 PolarHBondContact O-N 2.94Å; D147-S149 PolarHBondContact OD1-N 2.92Å; D147-S149 PolarHBondContact OD1-OG 3.46Å
150	T	97.3	Very high	97.7	Very high	86 Å²	86	45.4 Å²	45.4	53%	0.528	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-7.2	178.9	64	0	0	0	0	113.1	D147 K152	D147-T150 WeakPolarHBondContact CB-OG1 3.36Å; D147-T150 PolarHBondContact OD1-N 3.12Å; D147-T150 WeakPolarHBondContact OD2-CG2 3.19Å; D147-T150 PolarHBondContact OD2-OG1 2.9Å; T150-K152 PolarHBondContact O-N 3.44Å; T150-K152 VanDerWaalsContact O-N 3.15Å; T150-K152 VanDerWaalsContact OG1-CB 3.3Å; T150-K152 WeakPolarHBondContact OG1-CB 3.34Å; T150-K152 PolarHBondContact OG1-N 3.21Å
151	Q	96.3	Very high	97.4	Very high	127 Å²	127	51.5 Å²	51.5	59%	0.593	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	19.3	-169.2	-54.9	-169.8	1.2	0	0	114	L118 D147 V153	L118-Q151 HydrophobicContact CD1-CB 3.77Å; L118-Q151 HydrophobicContact CD1-CG 4.15Å; D147-Q151 CarbonylContact O-C 3.51Å; D147-Q151 WeakPolarHBondContact O-CA 3.46Å; D147-Q151 PolarHBondContact O-N 2.83Å; Q151-V153 PolarHBondContact O-N 3.3Å
152	K	98.1	Very high	97.2	Very high	130 Å²	130	57 Å²	57	57%	0.565	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.6	127.3	-178.9	-175.2	-178.9	176.1	-175.9	0	110.3	D147 T150	D147-K152 HydrophobicContact CB-CB 4.4Å; D147-K152 PolarHBondContact N-O 2.7Å; D147-K152 PolarHBondContact O-N 2.94Å; T150-K152 PolarHBondContact O-N 3.44Å; T150-K152 VanDerWaalsContact O-N 3.15Å; T150-K152 VanDerWaalsContact OG1-CB 3.3Å; T150-K152 WeakPolarHBondContact OG1-CB 3.34Å; T150-K152 PolarHBondContact OG1-N 3.21Å
153	V	98.5	Very high	96.9	Very high	65 Å²	65	57.5 Å²	57.5	39%	0.394	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	125.5	172.7	-176.8	0	0	0	0	109.2	L118 V144 A145 V146 Q151	L118-V153 HydrophobicContact CD2-CG2 4.05Å; V144-V153 HydrophobicContact CB-CG1 3.65Å; V144-V153 HydrophobicContact CG1-CG1 4Å; V144-V153 HydrophobicContact CG2-CG1 3.57Å; A145-V153 CarbonylContact O-C 3.47Å; A145-V153 WeakPolarHBondContact O-CA 3.18Å; V146-V153 HydrophobicContact CG2-CG2 4.44Å; Q151-V153 PolarHBondContact O-N 3.3Å
154	T	98.3	Very high	96.5	Very high	60 Å²	60	62.3 Å²	62.3	37%	0.368	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	124.9	-177.3	-53.6	0	0	0	0	110	V144 A145	V144-T154 CarbonylContact C-O 3.6Å; V144-T154 VanDerWaalsContact CA-O 3.23Å; V144-T154 WeakPolarHBondContact CA-O 3.27Å; V144-T154 WeakPolarHBondContact CB-O 3.33Å; A145-T154 PolarHBondContact N-O 3.06Å; A145-T154 PolarHBondContact O-N 3.43Å
155	S	98.1	Very high	96.2	Very high	79 Å²	79	66.5 Å²	66.5	55%	0.552	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.5	134.8	176.4	-171.1	0	0	0	0	111.3
156	L	98.3	Very high	96.1	Very high	39 Å²	39	66.2 Å²	66.2	20%	0.204	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	-43.8	176.3	-58.5	178.3	0	0	0	111.2	V136 I143 A145 M201 L205	V136-L156 HydrophobicContact CG2-CD1 4.04Å; I143-L156 WeakPolarHBondContact O-CB 3.28Å; I143-L156 PolarHBondContact O-N 3.06Å; A145-L156 HydrophobicContact CB-CD1 3.97Å; A145-L156 HydrophobicContact CB-CD2 3.92Å; A145-L156 HydrophobicContact CB-CG 4.04Å; L156-M201 HydrophobicContact CB-CE 3.88Å; L156-M201 HydrophobicContact CD1-CE 4.4Å; L156-L205 HydrophobicContact CB-CD1 4.46Å; L156-L205 HydrophobicContact CD1-CD2 4.37Å; L156-L205 HydrophobicContact CD2-CD1 4.31Å
157	A	98.1	Very high	96	Very high	18 Å²	18	66.8 Å²	66.8	15%	0.149	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	163.1	179.3	0	0	0	0	0	110.3	I143 M201 V207	I143-A157 HydrophobicContact CB-CB 4.49Å; I143-A157 PolarHBondContact N-O 2.97Å; I143-A157 PolarHBondContact O-N 3.42Å; A157-M201 HydrophobicContact CB-CE 3.98Å; A157-M201 HydrophobicContact CB-SD 4.35Å; A157-V207 HydrophobicContact CB-CG2 3.74Å
158	S	97	Very high	96.1	Very high	44 Å²	44	63.7 Å²	63.7	31%	0.308	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	149.3	168.6	-163.7	0	0	0	0	109.5	D161	S158-D161 WeakPolarHBondContact CB-OD1 3.49Å; S158-D161 PolarHBondContact OG-OD1 3.32Å
159	V	96.5	Very high	96.1	Very high	5 Å²	5	62.2 Å²	62.2	3%	0.03	35%	0.349	C	S	.	.	S	Bend	trans	-121.5	145.7	171.8	-63.7	0	0	0	0	109.5	C141 D161 L168 T183 Y199 V207	C141-V159 HydrophobicContact CB-CG2 4.46Å; C141-V159 VanDerWaalsContact CB-O 3.22Å; C141-V159 WeakPolarHBondContact CB-O 3.31Å; C141-V159 WeakPolarHBondContact O-CG2 3.38Å; C141-V159 PolarHBondContact O-N 2.8Å; V159-D161 PolarHBondContact O-N 2.93Å; V159-L168 HydrophobicContact CG2-CD2 3.92Å; V159-L168 HydrophobicContact CG2-CG 4.26Å; V159-T183 HydrophobicContact CG2-CG2 3.8Å; V159-Y199 HydrophobicContact CB-CD2 4.18Å; V159-Y199 HydrophobicContact CB-CE1 4.38Å; V159-Y199 HydrophobicContact CB-CE2 4.01Å; V159-Y199 HydrophobicContact CB-CG 4.46Å; V159-Y199 HydrophobicContact CG1-CD1 4.05Å; V159-Y199 HydrophobicContact CG1-CD2 4.07Å; V159-Y199 HydrophobicContact CG1-CE1 4.34Å; V159-Y199 HydrophobicContact CG1-CE2 4.37Å; V159-Y199 HydrophobicContact CG1-CG 3.93Å; V159-Y199 HydrophobicContact CG2-CD2 4.31Å; V159-Y199 HydrophobicContact CG2-CE2 4.22Å; V159-V207 HydrophobicContact CG1-CG1 3.86Å
160	E	95.1	Very high	96.2	Very high	12 Å²	12	57.6 Å²	57.6	6%	0.056	32%	0.316	C	S	.	.			trans	56.5	42.9	172.9	-50.8	-165.4	135.4	0	0	114.5	D162 K163 N166 T183 S197 Y199	E160-D162 WeakPolarHBondContact CA-OD1 3.28Å; E160-D162 PolarHBondContact O-N 3.41Å; E160-K163 HydrophobicContact CB-CB 4.05Å; E160-K163 HydrophobicContact CB-CD 4.15Å; E160-K163 HydrophobicContact CB-CG 4.24Å; E160-K163 HydrophobicContact CG-CD 4.35Å; E160-K163 PolarHBondContact O-N 3.14Å; E160-K163 IonicContact OE1-NZ 3.53Å; E160-K163 PolarHBondContact OE1-NZ 3.18Å; E160-N166 PolarHBondContact OE2-ND2 3.26Å; E160-T183 VanDerWaalsContact CD-OG1 3.23Å; E160-T183 HydrophobicContact CG-CG2 4.49Å; E160-T183 PolarHBondContact OE1-OG1 2.57Å; E160-T183 WeakPolarHBondContact OE2-CB 3.46Å; E160-T183 WeakPolarHBondContact OE2-CG2 3.35Å; E160-T183 PolarHBondContact OE2-OG1 2.99Å; E160-S197 PolarHBondContact OE1-OG 2.66Å; E160-Y199 HydrophobicContact CG-CE2 4.02Å; E160-Y199 WeakPolarHBondContact CG-OH 3.27Å; E160-Y199 PolarHBondContact OE1-OH 3.04Å
161	D	91.6	Very high	96.3	Very high	129 Å²	129	53.7 Å²	53.7	69%	0.69	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-22.9	174.9	-66	-35.8	0	0	0	112.8	S158 V159 K163	S158-D161 WeakPolarHBondContact CB-OD1 3.49Å; S158-D161 PolarHBondContact OG-OD1 3.32Å; V159-D161 PolarHBondContact O-N 2.93Å; D161-K163 VanDerWaalsContact C-N 3.32Å
162	D	92.4	Very high	96.4	Very high	133 Å²	133	49.8 Å²	49.8	71%	0.711	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-4.1	175.7	65.5	-47.5	0	0	0	114.2	E160	E160-D162 WeakPolarHBondContact CA-OD1 3.28Å; E160-D162 PolarHBondContact O-N 3.41Å
163	K	92.9	Very high	96.4	Very high	51 Å²	51	43.7 Å²	43.7	22%	0.222	25%	0.248	C	C	.	.			trans	-126.7	75.4	-177.5	-55.2	-176.1	-172.3	170.6	0	111.6	E160 D161 E165 N166 P195	E160-K163 HydrophobicContact CB-CB 4.05Å; E160-K163 HydrophobicContact CB-CD 4.15Å; E160-K163 HydrophobicContact CB-CG 4.24Å; E160-K163 HydrophobicContact CG-CD 4.35Å; E160-K163 PolarHBondContact O-N 3.14Å; E160-K163 IonicContact OE1-NZ 3.53Å; E160-K163 PolarHBondContact OE1-NZ 3.18Å; D161-K163 VanDerWaalsContact C-N 3.32Å; K163-E165 PolarHBondContact O-N 3.07Å; K163-N166 HydrophobicContact CB-CB 4.1Å; K163-N166 WeakPolarHBondContact CD-ND2 3.28Å; K163-N166 WeakPolarHBondContact O-CB 3.29Å; K163-N166 PolarHBondContact O-N 3.4Å; K163-P195 PolarHBondContact NZ-O 2.85Å
164	P	90.6	Very high	96.4	Very high	102 Å²	102	40.6 Å²	40.6	66%	0.662	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-21.5	-178	25.6	-35.6	0	0	0	114	N166	P164-N166 VanDerWaalsContact C-N 3.26Å; P164-N166 PolarHBondContact O-N 2.99Å
165	E	91.9	Very high	96.3	Very high	97 Å²	97	39.5 Å²	39.5	45%	0.453	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-4.8	177.6	-57.7	-57	139	0	0	113.5	K163 R185 R186	K163-E165 PolarHBondContact O-N 3.07Å; E165-R185 HydrophobicContact CB-CG 4.3Å; E165-R185 WeakPolarHBondContact O-CG 3.34Å; E165-R186 WeakPolarHBondContact O-CB 3.45Å; E165-R186 WeakPolarHBondContact O-CG 3.26Å; E165-R186 PolarHBondContact O-N 2.74Å
166	N	96.3	Very high	96.3	Very high	3 Å²	3	40 Å²	40	2%	0.016	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	163.3	176.6	-78.3	15.9	0	0	0	112	C141 E160 K163 P164 M184 R185 R186 P195	C141-N166 VanDerWaalsContact SG-C 3.52Å; C141-N166 PolarHBondContact SG-O 3.09Å; C141-N166 VanDerWaalsContact SG-O 3.42Å; E160-N166 PolarHBondContact OE2-ND2 3.26Å; K163-N166 HydrophobicContact CB-CB 4.1Å; K163-N166 WeakPolarHBondContact CD-ND2 3.28Å; K163-N166 WeakPolarHBondContact O-CB 3.29Å; K163-N166 PolarHBondContact O-N 3.4Å; P164-N166 VanDerWaalsContact C-N 3.26Å; P164-N166 PolarHBondContact O-N 2.99Å; N166-M184 CarbonylContact C-O 3.58Å; N166-M184 WeakPolarHBondContact CA-O 3.47Å; N166-M184 WeakPolarHBondContact CB-O 3.26Å; N166-R185 WeakPolarHBondContact OD1-CA 3.39Å; N166-R186 PolarHBondContact O-NE 2.97Å; N166-P195 PolarHBondContact ND2-O 3.02Å
167	R	97.8	Very high	96.3	Very high	15 Å²	15	38.2 Å²	38.2	6%	0.057	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	159.1	168.6	61.9	169.7	-175	82.2	-2.5	109.7	T123 N169 T183 M184 R186	T123-R167 WeakPolarHBondContact OG1-CD 3.37Å; R167-N169 PolarHBondContact NH1-OD1 3.13Å; R167-N169 PolarHBondContact NH2-OD1 3.05Å; R167-N169 VanDerWaalsContact NH2-OD1 3.09Å; R167-T183 CarbonylContact O-C 3.53Å; R167-T183 WeakPolarHBondContact O-CA 3.37Å; R167-T183 WeakPolarHBondContact O-CB 3.45Å; R167-M184 HydrophobicContact CG-CG 4.21Å; R167-M184 VanDerWaalsContact CZ-SD 3.55Å; R167-M184 PolarHBondContact N-O 2.71Å; R167-M184 PolarHBondContact NH2-SD 2.69Å; R167-M184 PolarHBondContact O-N 2.94Å; R167-M184 VanDerWaalsContact O-O 3.13Å; R167-R186 HydrophobicContact CB-CG 4.07Å; R167-R186 HydrophobicContact CG-CG 3.89Å
168	L	98.6	Very high	96.3	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	143.6	162.2	-69.6	163.5	0	0	0	109.6	F126 G138 G140 I143 V159 A181 G182 T183	F126-L168 HydrophobicContact CE1-CB 4.25Å; F126-L168 HydrophobicContact CE1-CD1 4.22Å; F126-L168 HydrophobicContact CE1-CD2 4.45Å; G138-L168 VanDerWaalsContact CA-CD1 3.49Å; G140-L168 WeakPolarHBondContact O-CB 3.49Å; G140-L168 PolarHBondContact O-N 2.77Å; I143-L168 HydrophobicContact CG1-CD1 3.95Å; V159-L168 HydrophobicContact CG2-CD2 3.92Å; V159-L168 HydrophobicContact CG2-CG 4.26Å; L168-A181 HydrophobicContact CD2-CB 3.92Å; L168-G182 WeakPolarHBondContact CA-O 3.09Å; L168-T183 HydrophobicContact CD2-CG2 3.74Å; L168-T183 HydrophobicContact CG-CG2 4.29Å
169	N	98.6	Very high	96.4	Very high	7 Å²	7	36.3 Å²	36.3	4%	0.037	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	-113.8	173.6	-164.2	60.3	0	0	0	108.8	G125 R167 G182 M184 S217 N218	G125-N169 CarbonylContact C-O 3.48Å; G125-N169 WeakPolarHBondContact CA-O 3.4Å; G125-N169 VanDerWaalsContact O-O 3.13Å; R167-N169 PolarHBondContact NH1-OD1 3.13Å; R167-N169 PolarHBondContact NH2-OD1 3.05Å; R167-N169 VanDerWaalsContact NH2-OD1 3.09Å; N169-G182 PolarHBondContact N-O 2.86Å; N169-M184 HydrophobicContact CB-CG 3.97Å; N169-M184 HydrophobicContact CB-SD 3.8Å; N169-M184 VanDerWaalsContact CG-SD 3.55Å; N169-M184 PolarHBondContact OD1-SD 2.69Å; N169-S217 WeakPolarHBondContact CB-O 3.41Å; N169-S217 PolarHBondContact ND2-O 3.14Å; N169-N218 PolarHBondContact ND2-ND2 3.43Å; N169-N218 PolarHBondContact ND2-OD1 3.42Å; N169-N218 VanDerWaalsContact ND2-OD1 3.09Å
170	D	98.5	Very high	96.5	Very high	6 Å²	6	36 Å²	36	3%	0.032	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	152.3	179.2	-161.3	12.7	0	0	0	112.4	G182 S217 G219 M220	D170-G182 PolarHBondContact O-N 2.96Å; D170-G182 VanDerWaalsContact O-N 3.13Å; D170-S217 PolarHBondContact N-O 2.81Å; D170-G219 VanDerWaalsContact OD2-CA 3.26Å; D170-G219 WeakPolarHBondContact OD2-CA 3.41Å; D170-G219 PolarHBondContact OD2-N 3.07Å; D170-M220 HydrophobicContact CB-CE 4.47Å
171	G	98.7	Very high	96.7	Very high	5 Å²	5	35.5 Å²	35.5	5%	0.052	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	140.4	177.8	0	0	0	0	0	112.2	L180	G171-L180 CarbonylContact C-O 3.57Å; G171-L180 WeakPolarHBondContact CA-O 3.21Å
172	K	98.8	Very high	97	Very high	45 Å²	45	29.4 Å²	29.4	20%	0.196	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	144.1	-177.7	-164.2	177.2	-79.4	174.3	0	110.5	L180 M220 D221 W222 M270	K172-L180 PolarHBondContact N-O 2.9Å; K172-L180 PolarHBondContact O-N 2.76Å; K172-M220 HydrophobicContact CB-CG 3.79Å; K172-M220 HydrophobicContact CB-SD 4.21Å; K172-M220 VanDerWaalsContact CD-O 3.3Å; K172-M220 WeakPolarHBondContact CD-O 3.48Å; K172-M220 WeakPolarHBondContact CE-O 3.43Å; K172-M220 PolarHBondContact NZ-O 2.8Å; K172-D221 IonicContact NZ-OD2 3.18Å; K172-D221 PolarHBondContact NZ-OD2 2.84Å; K172-W222 HydrophobicContact CB-CH2 4.14Å; K172-W222 HydrophobicContact CB-CZ3 4.02Å; K172-W222 HydrophobicContact CD-CZ3 3.78Å; K172-W222 HydrophobicContact CG-CH2 4.45Å; K172-W222 HydrophobicContact CG-CZ3 3.85Å; K172-M270 PolarHBondContact NZ-O 2.8Å
173	A	98.6	Very high	97.3	Very high	1 Å²	1	23 Å²	23	1%	0.008	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	131.8	169.4	0	0	0	0	0	109.8	V128 R178 W222 N359	V128-A173 HydrophobicContact CG2-CB 4.46Å; A173-R178 CarbonylContact C-O 3.51Å; A173-R178 VanDerWaalsContact CA-O 3.28Å; A173-R178 WeakPolarHBondContact CA-O 3.31Å; A173-W222 WeakPolarHBondContact O-CZ3 3.21Å; A173-N359 HydrophobicContact CB-CB 3.96Å; A173-N359 WeakPolarHBondContact O-CB 3.47Å; A173-N359 PolarHBondContact O-ND2 2.98Å
174	D	98	Very high	97.5	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.111	C	C	.	.			trans	-75	168	172.1	75	20.1	0	0	0	111.6	M176 G177 R178 L180 W222 Y244 N359	D174-M176 PolarHBondContact O-N 2.96Å; D174-M176 VanDerWaalsContact O-N 3.14Å; D174-M176 VanDerWaalsContact OD1-C 3.24Å; D174-M176 VanDerWaalsContact OD1-CA 3.25Å; D174-M176 WeakPolarHBondContact OD1-CA 3.18Å; D174-M176 WeakPolarHBondContact OD1-CB 3.26Å; D174-M176 PolarHBondContact OD1-N 2.79Å; D174-G177 WeakPolarHBondContact O-CA 3.36Å; D174-G177 PolarHBondContact O-N 2.99Å; D174-G177 PolarHBondContact OD1-N 3.34Å; D174-R178 PolarHBondContact N-O 3.19Å; D174-R178 PolarHBondContact OD1-N 3Å; D174-R178 IonicContact OD1-NE 3.47Å; D174-R178 WeakPolarHBondContact OD2-CB 3.36Å; D174-R178 IonicContact OD2-CZ 3.89Å; D174-R178 IonicContact OD2-NE 2.86Å; D174-R178 PolarHBondContact OD2-NE 3.13Å; D174-R178 IonicContact OD2-NH2 3.74Å; D174-R178 PolarHBondContact OD2-NH2 3.37Å; D174-L180 HydrophobicContact CB-CD1 3.9Å; D174-W222 HydrophobicContact CB-CD2 4.07Å; D174-W222 HydrophobicContact CB-CE3 4.36Å; D174-W222 HydrophobicContact CB-CH2 3.75Å; D174-W222 HydrophobicContact CB-CZ2 3.4Å; D174-W222 VanDerWaalsContact CB-CZ2 3.4Å; D174-W222 HydrophobicContact CB-CZ3 4.2Å; D174-Y244 WeakPolarHBondContact CB-OH 3.48Å; D174-Y244 PolarHBondContact OD2-OH 2.85Å; D174-N359 WeakPolarHBondContact O-CB 3.32Å
175	P	96.8	Very high	97.7	Very high	37 Å²	37	18.2 Å²	18.2	24%	0.24	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-18.6	179.3	-27.7	38.7	0	0	0	114.9	G177 W222 L226	P175-G177 VanDerWaalsContact C-N 3.26Å; P175-W222 HydrophobicContact CG-CB 4.09Å; P175-W222 HydrophobicContact CG-CG 4.32Å; P175-L226 HydrophobicContact CB-CD2 3.39Å; P175-L226 HydrophobicContact CG-CD2 3.42Å; P175-L226 VanDerWaalsContact CG-CD2 3.42Å
176	M	97.3	Very high	97.6	Very high	91 Å²	91	17.3 Å²	17.3	45%	0.448	8%	0.08	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-3.4	173.8	-56.3	-55	-62.5	0	0	112.1	D174 L226	D174-M176 PolarHBondContact O-N 2.96Å; D174-M176 VanDerWaalsContact O-N 3.14Å; D174-M176 VanDerWaalsContact OD1-C 3.24Å; D174-M176 VanDerWaalsContact OD1-CA 3.25Å; D174-M176 WeakPolarHBondContact OD1-CA 3.18Å; D174-M176 WeakPolarHBondContact OD1-CB 3.26Å; D174-M176 PolarHBondContact OD1-N 2.79Å; M176-L226 HydrophobicContact SD-CD1 4.04Å
177	G	97.9	Very high	96.6	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.01	9%	0.093	C	C	.	.	S	Bend	trans	76.4	26.6	-179.9	0	0	0	0	0	114.1	D174 P175 A360 F361 S362	D174-G177 WeakPolarHBondContact O-CA 3.36Å; D174-G177 PolarHBondContact O-N 2.99Å; D174-G177 PolarHBondContact OD1-N 3.34Å; P175-G177 VanDerWaalsContact C-N 3.26Å; G177-A360 WeakPolarHBondContact CA-O 3.3Å; G177-F361 VanDerWaalsContact O-CD2 3.3Å; G177-F361 WeakPolarHBondContact O-CD2 3.32Å; G177-S362 WeakPolarHBondContact CA-OG 3.18Å; G177-S362 WeakPolarHBondContact O-CB 3.42Å; G177-S362 PolarHBondContact O-N 3.49Å; G177-S362 PolarHBondContact O-OG 2.81Å
178	R	98.5	Very high	94.8	Very high	20 Å²	20	20.2 Å²	20.2	8%	0.075	10%	0.101	C	C	.	.	P	Polyproline II helix	trans	-90.8	150.9	166	-51.9	173.3	-74.1	-133.6	-13.1	109	A173 D174 L200 M201 Y244 S246 A247	A173-R178 CarbonylContact C-O 3.51Å; A173-R178 VanDerWaalsContact CA-O 3.28Å; A173-R178 WeakPolarHBondContact CA-O 3.31Å; D174-R178 PolarHBondContact N-O 3.19Å; D174-R178 PolarHBondContact OD1-N 3Å; D174-R178 IonicContact OD1-NE 3.47Å; D174-R178 WeakPolarHBondContact OD2-CB 3.36Å; D174-R178 IonicContact OD2-CZ 3.89Å; D174-R178 IonicContact OD2-NE 2.86Å; D174-R178 PolarHBondContact OD2-NE 3.13Å; D174-R178 IonicContact OD2-NH2 3.74Å; D174-R178 PolarHBondContact OD2-NH2 3.37Å; R178-L200 HydrophobicContact CB-CD1 3.62Å; R178-L200 HydrophobicContact CB-CG 4.47Å; R178-L200 HydrophobicContact CG-CD1 4.43Å; R178-M201 WeakPolarHBondContact CA-O 3.48Å; R178-M201 WeakPolarHBondContact CB-O 3.35Å; R178-Y244 PolarHBondContact NH2-OH 3.5Å; R178-S246 PolarHBondContact NH1-O 2.93Å; R178-S246 PolarHBondContact NH2-O 2.91Å; R178-A247 PolarHBondContact NH1-O 3.26Å
179	L	98.8	Very high	92.6	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	123.4	178.3	171.7	67.5	0	0	0	109.3	F126 V128 V136 I143 A181 L200 M201 F361	F126-L179 HydrophobicContact CD2-CD1 4.37Å; F126-L179 HydrophobicContact CE2-CD1 3.7Å; F126-L179 HydrophobicContact CE2-CD2 3.93Å; F126-L179 HydrophobicContact CE2-CG 4.37Å; F126-L179 HydrophobicContact CZ-CD1 4.14Å; F126-L179 HydrophobicContact CZ-CD2 3.92Å; F126-L179 HydrophobicContact CZ-CG 4.44Å; V128-L179 HydrophobicContact CG2-CD1 4.01Å; V136-L179 HydrophobicContact CG1-CD2 4.17Å; V136-L179 HydrophobicContact CG2-CD2 3.91Å; I143-L179 HydrophobicContact CD1-CD2 4.3Å; I143-L179 HydrophobicContact CG2-CD2 3.77Å; L179-A181 HydrophobicContact CG-CB 4.38Å; L179-L200 CarbonylContact O-C 3.47Å; L179-L200 WeakPolarHBondContact O-CA 3.23Å; L179-M201 HydrophobicContact CB-CB 4.24Å; L179-M201 HydrophobicContact CD2-SD 4.42Å; L179-M201 PolarHBondContact N-O 3.11Å; L179-M201 PolarHBondContact O-N 3.03Å; L179-F361 HydrophobicContact CB-CD2 3.66Å; L179-F361 HydrophobicContact CB-CE2 3.98Å; L179-F361 HydrophobicContact CB-CG 4.27Å
180	L	98.8	Very high	90.7	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	133.4	163.8	-73.3	75.8	0	0	0	108.4	G171 K172 D174 L198 Y199 L200 L210 M220 W222 L229	G171-L180 CarbonylContact C-O 3.57Å; G171-L180 WeakPolarHBondContact CA-O 3.21Å; K172-L180 PolarHBondContact N-O 2.9Å; K172-L180 PolarHBondContact O-N 2.76Å; D174-L180 HydrophobicContact CB-CD1 3.9Å; L180-L198 HydrophobicContact CB-CD1 4.45Å; L180-L198 HydrophobicContact CD2-CD2 4.38Å; L180-Y199 VanDerWaalsContact CA-O 3.25Å; L180-Y199 WeakPolarHBondContact CA-O 3.39Å; L180-L200 HydrophobicContact CD1-CD1 3.37Å; L180-L200 HydrophobicContact CG-CD1 3.79Å; L180-L210 HydrophobicContact CD2-CD1 3.82Å; L180-L210 HydrophobicContact CG-CD1 4.28Å; L180-M220 HydrophobicContact CB-SD 3.61Å; L180-W222 HydrophobicContact CB-CZ2 4.5Å; L180-W222 HydrophobicContact CD1-CH2 3.99Å; L180-W222 HydrophobicContact CD1-CZ2 3.5Å; L180-W222 HydrophobicContact CD2-CZ2 3.78Å; L180-W222 HydrophobicContact CG-CZ2 4.11Å; L180-L229 HydrophobicContact CD2-CD2 4.06Å
181	A	98.7	Very high	88.8	Confident	1 Å²	1	33.7 Å²	33.7	1%	0.008	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	128.9	-177.9	0	0	0	0	0	108.9	F126 L168 L179 Y199	F126-A181 HydrophobicContact CD1-CB 4.48Å; F126-A181 HydrophobicContact CE1-CB 3.54Å; F126-A181 HydrophobicContact CZ-CB 3.73Å; L168-A181 HydrophobicContact CD2-CB 3.92Å; L179-A181 HydrophobicContact CG-CB 4.38Å; A181-Y199 PolarHBondContact N-O 2.87Å; A181-Y199 WeakPolarHBondContact O-CB 3.23Å; A181-Y199 PolarHBondContact O-N 2.81Å
182	G	98.7	Very high	87.1	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	157.4	-179	0	0	0	0	0	113.3	L168 N169 D170 S197 S217	L168-G182 WeakPolarHBondContact CA-O 3.09Å; N169-G182 PolarHBondContact N-O 2.86Å; D170-G182 PolarHBondContact O-N 2.96Å; D170-G182 VanDerWaalsContact O-N 3.13Å; G182-S197 CarbonylContact C-O 3.52Å; G182-S197 WeakPolarHBondContact CA-O 3.26Å; G182-S217 VanDerWaalsContact CA-OG 3.3Å; G182-S217 WeakPolarHBondContact CA-OG 3.43Å
183	T	98.6	Very high	86.1	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	162.5	-176	60.3	0	0	0	0	111.8	V159 E160 R167 L168 G196 S197 Y199	V159-T183 HydrophobicContact CG2-CG2 3.8Å; E160-T183 VanDerWaalsContact CD-OG1 3.23Å; E160-T183 HydrophobicContact CG-CG2 4.49Å; E160-T183 PolarHBondContact OE1-OG1 2.57Å; E160-T183 WeakPolarHBondContact OE2-CB 3.46Å; E160-T183 WeakPolarHBondContact OE2-CG2 3.35Å; E160-T183 PolarHBondContact OE2-OG1 2.99Å; R167-T183 CarbonylContact O-C 3.53Å; R167-T183 WeakPolarHBondContact O-CA 3.37Å; R167-T183 WeakPolarHBondContact O-CB 3.45Å; L168-T183 HydrophobicContact CD2-CG2 3.74Å; L168-T183 HydrophobicContact CG-CG2 4.29Å; T183-G196 WeakPolarHBondContact O-CA 3.21Å; T183-G196 WeakPolarHBondContact OG1-CA 3.34Å; T183-S197 PolarHBondContact N-O 3.36Å; T183-S197 PolarHBondContact OG1-N 2.93Å; T183-S197 PolarHBondContact OG1-O 3.16Å; T183-Y199 HydrophobicContact CG2-CD2 4.29Å; T183-Y199 HydrophobicContact CG2-CE2 3.86Å
184	M	97	Very high	85.5	Confident	6 Å²	6	45 Å²	45	3%	0.03	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	168.5	170.1	67.7	177.9	-75.3	0	0	109.2	I2 N166 R167 N169 I216	I2-M184 HydrophobicContact CD1-CE 3.75Å; I2-M184 HydrophobicContact CG1-CE 4.43Å; N166-M184 CarbonylContact C-O 3.58Å; N166-M184 WeakPolarHBondContact CA-O 3.47Å; N166-M184 WeakPolarHBondContact CB-O 3.26Å; R167-M184 HydrophobicContact CG-CG 4.21Å; R167-M184 VanDerWaalsContact CZ-SD 3.55Å; R167-M184 PolarHBondContact N-O 2.71Å; R167-M184 PolarHBondContact NH2-SD 2.69Å; R167-M184 PolarHBondContact O-N 2.94Å; R167-M184 VanDerWaalsContact O-O 3.13Å; N169-M184 HydrophobicContact CB-CG 3.97Å; N169-M184 HydrophobicContact CB-SD 3.8Å; N169-M184 VanDerWaalsContact CG-SD 3.55Å; N169-M184 PolarHBondContact OD1-SD 2.69Å; M184-I216 HydrophobicContact CE-CD1 4.09Å; M184-I216 HydrophobicContact CE-CG1 3.85Å; M184-I216 HydrophobicContact CE-CG2 4.12Å; M184-I216 HydrophobicContact SD-CG1 4.49Å; M184-I216 HydrophobicContact SD-CG2 3.79Å
185	R	93.9	Very high	85.2	Confident	46 Å²	46	45.4 Å²	45.4	17%	0.174	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	146.8	169.8	-168.9	176.6	-177.4	126	11.1	110.9	E165 N166 D187 T190 P195	E165-R185 HydrophobicContact CB-CG 4.3Å; E165-R185 WeakPolarHBondContact O-CG 3.34Å; N166-R185 WeakPolarHBondContact OD1-CA 3.39Å; R185-D187 VanDerWaalsContact CD-O 3.29Å; R185-D187 WeakPolarHBondContact CD-O 3.08Å; R185-D187 WeakPolarHBondContact CG-O 3.48Å; R185-T190 PolarHBondContact NE-OG1 3.12Å; R185-T190 PolarHBondContact NH1-OG1 3.36Å; R185-P195 HydrophobicContact CB-CB 4.09Å; R185-P195 HydrophobicContact CB-CG 3.54Å
186	R	89.9	Confident	85.2	Confident	77 Å²	77	43.7 Å²	43.7	29%	0.291	23%	0.234	S	C	.	.	S	Bend	trans	-68.4	-41.7	178.2	-68.5	173.1	-177.3	-99.4	4.1	113.1	D122 T123 E165 N166 R167	D122-R186 IonicContact OD1-CZ 2.96Å; D122-R186 IonicContact OD1-NH1 2.69Å; D122-R186 PolarHBondContact OD1-NH1 3.39Å; D122-R186 IonicContact OD1-NH2 2.69Å; D122-R186 IonicContact OD2-CZ 2.77Å; D122-R186 IonicContact OD2-NH1 2.69Å; D122-R186 PolarHBondContact OD2-NH1 3.35Å; D122-R186 IonicContact OD2-NH2 3.1Å; D122-R186 PolarHBondContact OD2-NH2 3.17Å; T123-R186 PolarHBondContact OG1-NH1 3.36Å; E165-R186 WeakPolarHBondContact O-CB 3.45Å; E165-R186 WeakPolarHBondContact O-CG 3.26Å; E165-R186 PolarHBondContact O-N 2.74Å; N166-R186 PolarHBondContact O-NE 2.97Å; R167-R186 HydrophobicContact CB-CG 4.07Å; R167-R186 HydrophobicContact CG-CG 3.89Å
187	D	76.9	Confident	85.2	Confident	55 Å²	55	39.5 Å²	39.5	29%	0.294	21%	0.213	S	C	.	.			trans	-114.4	139.5	-178.1	-170.8	10	0	0	0	111.7	R185 Q189	R185-D187 VanDerWaalsContact CD-O 3.29Å; R185-D187 WeakPolarHBondContact CD-O 3.08Å; R185-D187 WeakPolarHBondContact CG-O 3.48Å; D187-Q189 WeakPolarHBondContact OD1-CG 3.37Å; D187-Q189 PolarHBondContact OD1-N 2.95Å; D187-Q189 PolarHBondContact OD1-NE2 2.52Å; D187-Q189 PolarHBondContact OD2-NE2 3.4Å
188	A	58.8	Low	85.3	Confident	25 Å²	25	39.4 Å²	39.4	21%	0.207	21%	0.213	C	C	.	.	S	Bend	trans	-90.8	2.1	-178.8	0	0	0	0	0	113.6	I2 Q5 T190	I2-A188 HydrophobicContact CG1-CB 4.49Å; Q5-A188 PolarHBondContact NE2-O 2.83Å; A188-T190 VanDerWaalsContact C-N 3.34Å; A188-T190 PolarHBondContact O-N 3.39Å
189	Q	53.5	Low	85.3	Confident	137 Å²	137	39.2 Å²	39.2	64%	0.64	21%	0.212	S	C	*	.			trans	-80.7	-2.2	-171.9	-73.1	169.8	69.3	0	0	115.6	D187	D187-Q189 WeakPolarHBondContact OD1-CG 3.37Å; D187-Q189 PolarHBondContact OD1-N 2.95Å; D187-Q189 PolarHBondContact OD1-NE2 2.52Å; D187-Q189 PolarHBondContact OD2-NE2 3.4Å
190	T	57.9	Low	85.3	Confident	55 Å²	55	39.4 Å²	39.4	34%	0.337	21%	0.213	S	C	.	.	S	Bend	trans	-104.2	155.7	-178.4	74.3	0	0	0	0	112.8	R185 A188 Q192	R185-T190 PolarHBondContact NE-OG1 3.12Å; R185-T190 PolarHBondContact NH1-OG1 3.36Å; A188-T190 VanDerWaalsContact C-N 3.34Å; A188-T190 PolarHBondContact O-N 3.39Å; T190-Q192 PolarHBondContact O-N 2.99Å; T190-Q192 VanDerWaalsContact O-N 3.14Å
191	A	59.4	Low	85.3	Confident	104 Å²	104	39.4 Å²	39.4	86%	0.86	21%	0.213	S	C	*	.	S	Bend	trans	-72.5	4.4	177.4	0	0	0	0	0	114.1	V193	A191-V193 PolarHBondContact O-N 3.24Å
192	Q	63.1	Low	85.2	Confident	103 Å²	103	43 Å²	43	48%	0.481	23%	0.229	S	C	.	.			trans	-77.7	106.2	-178.1	-171	177.5	11.6	0	0	110.2	T190 P195	T190-Q192 PolarHBondContact O-N 2.99Å; T190-Q192 VanDerWaalsContact O-N 3.14Å; Q192-P195 HydrophobicContact CG-CB 4.35Å
193	V	76.6	Confident	85.1	Confident	103 Å²	103	46.6 Å²	46.6	62%	0.624	25%	0.254	S	S	*	.			trans	-77	137.5	174.1	-179.9	0	0	0	0	109.3	A191	A191-V193 PolarHBondContact O-N 3.24Å
194	K	85.5	Confident	85	Confident	82 Å²	82	51.8 Å²	51.8	36%	0.357	28%	0.282	S	S	.	.			trans	57.6	54.2	171	-69.3	173.9	179.9	-156.5	0	116.1	G196 Q213 V214 D215	K194-G196 VanDerWaalsContact C-N 3.3Å; K194-G196 PolarHBondContact O-N 2.74Å; K194-Q213 HydrophobicContact CB-CB 4.09Å; K194-Q213 HydrophobicContact CD-CB 4.11Å; K194-Q213 WeakPolarHBondContact CD-O 3.49Å; K194-V214 CarbonylContact C-O 3.59Å; K194-V214 VanDerWaalsContact CA-O 3.28Å; K194-V214 WeakPolarHBondContact CA-O 3.45Å; K194-D215 WeakPolarHBondContact CA-OD1 3.4Å; K194-D215 VanDerWaalsContact CE-OD2 3.22Å; K194-D215 WeakPolarHBondContact CE-OD2 3.43Å; K194-D215 HydrophobicContact CG-CB 4.44Å; K194-D215 WeakPolarHBondContact CG-OD1 3.05Å; K194-D215 WeakPolarHBondContact CG-OD2 3.43Å; K194-D215 PolarHBondContact N-OD1 3.16Å
195	P	92	Very high	85.1	Confident	9 Å²	9	54.2 Å²	54.2	6%	0.058	29%	0.294	C	S	.	.			trans	-74.2	-17.8	-174.6	31.6	-35.7	0	0	0	114.3	K163 N166 R185 Q192	K163-P195 PolarHBondContact NZ-O 2.85Å; N166-P195 PolarHBondContact ND2-O 3.02Å; R185-P195 HydrophobicContact CB-CB 4.09Å; R185-P195 HydrophobicContact CB-CG 3.54Å; Q192-P195 HydrophobicContact CG-CB 4.35Å
196	G	96.8	Very high	85.3	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.01	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	174.6	-172.3	0	0	0	0	0	114.8	T183 K194 Q213 V214	T183-G196 WeakPolarHBondContact O-CA 3.21Å; T183-G196 WeakPolarHBondContact OG1-CA 3.34Å; K194-G196 VanDerWaalsContact C-N 3.3Å; K194-G196 PolarHBondContact O-N 2.74Å; G196-Q213 PolarHBondContact O-N 3.23Å; G196-V214 VanDerWaalsContact CA-O 3.31Å; G196-V214 WeakPolarHBondContact CA-O 3.31Å; G196-V214 PolarHBondContact N-O 3.4Å; G196-V214 PolarHBondContact O-N 3.47Å
197	S	98.4	Very high	85.7	Confident	3 Å²	3	52.8 Å²	52.8	2%	0.021	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	160.4	177.6	-51.4	0	0	0	0	109.6	E160 G182 T183 Y199 K209 L211	E160-S197 PolarHBondContact OE1-OG 2.66Å; G182-S197 CarbonylContact C-O 3.52Å; G182-S197 WeakPolarHBondContact CA-O 3.26Å; T183-S197 PolarHBondContact N-O 3.36Å; T183-S197 PolarHBondContact OG1-N 2.93Å; T183-S197 PolarHBondContact OG1-O 3.16Å; S197-Y199 VanDerWaalsContact CB-CE2 3.5Å; S197-Y199 VanDerWaalsContact CB-OH 3.31Å; S197-Y199 WeakPolarHBondContact CB-OH 3.34Å; S197-Y199 PolarHBondContact OG-OH 2.67Å; S197-K209 PolarHBondContact OG-NZ 3.15Å; S197-L211 CarbonylContact C-O 3.5Å; S197-L211 WeakPolarHBondContact CA-O 3.28Å; S197-L211 WeakPolarHBondContact CB-O 3.44Å
198	L	98.8	Very high	86.7	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	132.1	167.7	-178.2	63.8	0	0	0	109.4	L180 L210 L211 M220 Y231 L251	L180-L198 HydrophobicContact CB-CD1 4.45Å; L180-L198 HydrophobicContact CD2-CD2 4.38Å; L198-L210 HydrophobicContact CD2-CD1 4.44Å; L198-L210 HydrophobicContact CG-CB 4.5Å; L198-L210 PolarHBondContact O-N 3.47Å; L198-L211 HydrophobicContact CB-CB 3.96Å; L198-L211 HydrophobicContact CB-CD1 4.23Å; L198-L211 HydrophobicContact CB-CG 4.24Å; L198-L211 HydrophobicContact CD2-CD1 3.86Å; L198-L211 HydrophobicContact CD2-CG 4.32Å; L198-L211 PolarHBondContact N-O 3.45Å; L198-L211 PolarHBondContact O-N 3.44Å; L198-M220 HydrophobicContact CD1-CE 4.14Å; L198-Y231 HydrophobicContact CD1-CE2 4.04Å; L198-Y231 HydrophobicContact CD2-CD2 4.14Å; L198-Y231 HydrophobicContact CD2-CE2 3.98Å; L198-Y231 HydrophobicContact CG-CE2 4.48Å; L198-L251 HydrophobicContact CD2-CD1 4.17Å
199	Y	98.9	Very high	88.6	Confident	16 Å²	16	57.4 Å²	57.4	6%	0.063	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	153.8	-179.7	-61.1	-86.7	0	0	0	111.8	V159 E160 L180 A181 T183 S197 V207 T208 K209	V159-Y199 HydrophobicContact CB-CD2 4.18Å; V159-Y199 HydrophobicContact CB-CE1 4.38Å; V159-Y199 HydrophobicContact CB-CE2 4.01Å; V159-Y199 HydrophobicContact CB-CG 4.46Å; V159-Y199 HydrophobicContact CG1-CD1 4.05Å; V159-Y199 HydrophobicContact CG1-CD2 4.07Å; V159-Y199 HydrophobicContact CG1-CE1 4.34Å; V159-Y199 HydrophobicContact CG1-CE2 4.37Å; V159-Y199 HydrophobicContact CG1-CG 3.93Å; V159-Y199 HydrophobicContact CG2-CD2 4.31Å; V159-Y199 HydrophobicContact CG2-CE2 4.22Å; E160-Y199 HydrophobicContact CG-CE2 4.02Å; E160-Y199 WeakPolarHBondContact CG-OH 3.27Å; E160-Y199 PolarHBondContact OE1-OH 3.04Å; L180-Y199 VanDerWaalsContact CA-O 3.25Å; L180-Y199 WeakPolarHBondContact CA-O 3.39Å; A181-Y199 PolarHBondContact N-O 2.87Å; A181-Y199 WeakPolarHBondContact O-CB 3.23Å; A181-Y199 PolarHBondContact O-N 2.81Å; T183-Y199 HydrophobicContact CG2-CD2 4.29Å; T183-Y199 HydrophobicContact CG2-CE2 3.86Å; S197-Y199 VanDerWaalsContact CB-CE2 3.5Å; S197-Y199 VanDerWaalsContact CB-OH 3.31Å; S197-Y199 WeakPolarHBondContact CB-OH 3.34Å; S197-Y199 PolarHBondContact OG-OH 2.67Å; Y199-V207 HydrophobicContact CD1-CG1 3.96Å; Y199-V207 HydrophobicContact CG-CG1 4.3Å; Y199-T208 CarbonylContact C-O 3.59Å; Y199-T208 WeakPolarHBondContact CA-O 3.47Å; Y199-K209 HydrophobicContact CD1-CB 4.03Å; Y199-K209 HydrophobicContact CD1-CG 4.45Å; Y199-K209 HydrophobicContact CE1-CB 3.84Å; Y199-K209 HydrophobicContact CE1-CD 4.46Å; Y199-K209 HydrophobicContact CE1-CG 4.07Å; Y199-K209 WeakPolarHBondContact OH-CE 3.42Å; Y199-K209 PolarHBondContact OH-NZ 2.87Å
200	L	98.7	Very high	90.7	Very high	4 Å²	4	52.7 Å²	52.7	2%	0.021	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	123.2	170.6	179.3	71.5	0	0	0	108.6	R178 L179 L180 V207 T208 L210	R178-L200 HydrophobicContact CB-CD1 3.62Å; R178-L200 HydrophobicContact CB-CG 4.47Å; R178-L200 HydrophobicContact CG-CD1 4.43Å; L179-L200 CarbonylContact O-C 3.47Å; L179-L200 WeakPolarHBondContact O-CA 3.23Å; L180-L200 HydrophobicContact CD1-CD1 3.37Å; L180-L200 HydrophobicContact CG-CD1 3.79Å; L200-V207 CarbonylContact O-C 3.52Å; L200-V207 WeakPolarHBondContact O-CA 3.47Å; L200-T208 PolarHBondContact N-O 3.38Å; L200-T208 PolarHBondContact O-N 3.22Å; L200-L210 HydrophobicContact CB-CD1 3.75Å; L200-L210 HydrophobicContact CB-CD2 4.01Å; L200-L210 HydrophobicContact CB-CG 3.74Å; L200-L210 HydrophobicContact CD2-CD2 4.26Å
201	M	98.7	Very high	92.6	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	125.1	172.9	-177	176.5	-176	0	0	109.9	I143 L156 A157 R178 L179 L205 S206 V207 F361	I143-M201 HydrophobicContact CB-SD 4.17Å; I143-M201 HydrophobicContact CD1-CB 4.44Å; I143-M201 HydrophobicContact CD1-SD 3.68Å; I143-M201 HydrophobicContact CG2-CE 4.46Å; I143-M201 HydrophobicContact CG2-SD 3.66Å; L156-M201 HydrophobicContact CB-CE 3.88Å; L156-M201 HydrophobicContact CD1-CE 4.4Å; A157-M201 HydrophobicContact CB-CE 3.98Å; A157-M201 HydrophobicContact CB-SD 4.35Å; R178-M201 WeakPolarHBondContact CA-O 3.48Å; R178-M201 WeakPolarHBondContact CB-O 3.35Å; L179-M201 HydrophobicContact CB-CB 4.24Å; L179-M201 HydrophobicContact CD2-SD 4.42Å; L179-M201 PolarHBondContact N-O 3.11Å; L179-M201 PolarHBondContact O-N 3.03Å; M201-L205 HydrophobicContact CE-CB 3.55Å; M201-L205 HydrophobicContact CE-CD2 3.42Å; M201-L205 VanDerWaalsContact CE-CD2 3.42Å; M201-L205 HydrophobicContact CE-CG 4.03Å; M201-S206 WeakPolarHBondContact CA-O 3.48Å; M201-V207 HydrophobicContact CB-CG2 4.14Å; M201-V207 HydrophobicContact CG-CG2 3.96Å; M201-V207 HydrophobicContact SD-CG2 4.31Å; M201-F361 HydrophobicContact CE-CZ 4.32Å; M201-F361 HydrophobicContact CG-CE2 4.4Å; M201-F361 HydrophobicContact CG-CZ 4.14Å; M201-F361 HydrophobicContact SD-CZ 4.32Å
202	K	97.9	Very high	94.4	Very high	77 Å²	77	48.3 Å²	48.3	34%	0.335	27%	0.268	S	S	.	.			trans	-89.1	173.8	-180	-65.2	-179.1	-174.3	173.7	0	111.6	D204 L205 S206 F361	K202-D204 WeakPolarHBondContact CB-OD1 3.29Å; K202-D204 PolarHBondContact O-N 3.46Å; K202-L205 WeakPolarHBondContact O-CA 3.31Å; K202-L205 PolarHBondContact O-N 3.38Å; K202-S206 PolarHBondContact N-O 3.21Å; K202-F361 WeakPolarHBondContact O-CZ 3.16Å
203	S	96.2	Very high	95.9	Very high	74 Å²	74	49.9 Å²	49.9	52%	0.517	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-19.7	179.6	57.5	0	0	0	0	114.3	L205 G363	S203-L205 PolarHBondContact O-N 2.85Å; S203-G363 VanDerWaalsContact CA-CA 3.45Å; S203-G363 WeakPolarHBondContact O-CA 3.48Å
204	D	97	Very high	96.9	Very high	110 Å²	110	45 Å²	45	59%	0.588	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.2	10.8	172.1	65.2	-0.9	0	0	0	112.8	K202 S206	K202-D204 WeakPolarHBondContact CB-OD1 3.29Å; K202-D204 PolarHBondContact O-N 3.46Å; D204-S206 PolarHBondContact O-N 2.93Å; D204-S206 WeakPolarHBondContact OD1-CB 3.45Å; D204-S206 PolarHBondContact OD1-N 3.25Å; D204-S206 PolarHBondContact OD1-OG 3.29Å; D204-S206 PolarHBondContact OD2-OG 3.3Å
205	L	98.1	Very high	97.4	Very high	57 Å²	57	42.4 Å²	42.4	30%	0.298	24%	0.235	S	C	.	.			trans	65.5	6.3	-176.7	-44.6	-179.8	0	0	0	114.7	L156 M201 K202 S203 V207 F361	L156-L205 HydrophobicContact CB-CD1 4.46Å; L156-L205 HydrophobicContact CD1-CD2 4.37Å; L156-L205 HydrophobicContact CD2-CD1 4.31Å; M201-L205 HydrophobicContact CE-CB 3.55Å; M201-L205 HydrophobicContact CE-CD2 3.42Å; M201-L205 VanDerWaalsContact CE-CD2 3.42Å; M201-L205 HydrophobicContact CE-CG 4.03Å; K202-L205 WeakPolarHBondContact O-CA 3.31Å; K202-L205 PolarHBondContact O-N 3.38Å; S203-L205 PolarHBondContact O-N 2.85Å; L205-V207 PolarHBondContact O-N 2.94Å; L205-F361 HydrophobicContact CD2-CE1 4.2Å; L205-F361 HydrophobicContact CD2-CZ 4.18Å
206	S	97.9	Very high	97.7	Very high	44 Å²	44	42.4 Å²	42.4	31%	0.308	24%	0.235	S	C	.	.			trans	-67.3	134.1	173.2	66.5	0	0	0	0	110.7	M201 K202 D204	M201-S206 WeakPolarHBondContact CA-O 3.48Å; K202-S206 PolarHBondContact N-O 3.21Å; D204-S206 PolarHBondContact O-N 2.93Å; D204-S206 WeakPolarHBondContact OD1-CB 3.45Å; D204-S206 PolarHBondContact OD1-N 3.25Å; D204-S206 PolarHBondContact OD1-OG 3.29Å; D204-S206 PolarHBondContact OD2-OG 3.3Å
207	V	98.4	Very high	97.8	Very high	49 Å²	49	42.4 Å²	42.4	30%	0.297	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	130.7	-178.9	-174.6	0	0	0	0	110	A157 V159 Y199 L200 M201 L205	A157-V207 HydrophobicContact CB-CG2 3.74Å; V159-V207 HydrophobicContact CG1-CG1 3.86Å; Y199-V207 HydrophobicContact CD1-CG1 3.96Å; Y199-V207 HydrophobicContact CG-CG1 4.3Å; L200-V207 CarbonylContact O-C 3.52Å; L200-V207 WeakPolarHBondContact O-CA 3.47Å; M201-V207 HydrophobicContact CB-CG2 4.14Å; M201-V207 HydrophobicContact CG-CG2 3.96Å; M201-V207 HydrophobicContact SD-CG2 4.31Å; L205-V207 PolarHBondContact O-N 2.94Å
208	T	98.1	Very high	97.8	Very high	69 Å²	69	42.3 Å²	42.3	42%	0.423	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	135.5	175.9	-59.2	0	0	0	0	109.8	Y199 L200 L210	Y199-T208 CarbonylContact C-O 3.59Å; Y199-T208 WeakPolarHBondContact CA-O 3.47Å; L200-T208 PolarHBondContact N-O 3.38Å; L200-T208 PolarHBondContact O-N 3.22Å; T208-L210 PolarHBondContact O-N 3.33Å
209	K	98.4	Very high	97.8	Very high	108 Å²	108	42.3 Å²	42.3	47%	0.47	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	122.6	170.3	-174.4	174.3	-59.6	-158.7	0	109.9	S197 Y199 L211	S197-K209 PolarHBondContact OG-NZ 3.15Å; Y199-K209 HydrophobicContact CD1-CB 4.03Å; Y199-K209 HydrophobicContact CD1-CG 4.45Å; Y199-K209 HydrophobicContact CE1-CB 3.84Å; Y199-K209 HydrophobicContact CE1-CD 4.46Å; Y199-K209 HydrophobicContact CE1-CG 4.07Å; Y199-K209 WeakPolarHBondContact OH-CE 3.42Å; Y199-K209 PolarHBondContact OH-NZ 2.87Å; K209-L211 WeakPolarHBondContact CG-O 3.25Å
210	L	98.4	Very high	97.8	Very high	38 Å²	38	41.6 Å²	41.6	20%	0.199	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-45.4	175.3	-67	-176.6	0	0	0	111.9	L180 L198 L200 T208 L251	L180-L210 HydrophobicContact CD2-CD1 3.82Å; L180-L210 HydrophobicContact CG-CD1 4.28Å; L198-L210 HydrophobicContact CD2-CD1 4.44Å; L198-L210 HydrophobicContact CG-CB 4.5Å; L198-L210 PolarHBondContact O-N 3.47Å; L200-L210 HydrophobicContact CB-CD1 3.75Å; L200-L210 HydrophobicContact CB-CD2 4.01Å; L200-L210 HydrophobicContact CB-CG 3.74Å; L200-L210 HydrophobicContact CD2-CD2 4.26Å; T208-L210 PolarHBondContact O-N 3.33Å; L210-L251 HydrophobicContact CB-CD1 4.13Å; L210-L251 HydrophobicContact CB-CG 4.48Å; L210-L251 HydrophobicContact CD1-CD1 4.01Å; L210-L251 HydrophobicContact CD1-CG 4.09Å
211	L	98.1	Very high	97.8	Very high	28 Å²	28	42.3 Å²	42.3	15%	0.147	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	142.5	-179.8	-55.1	173.6	0	0	0	109.5	S197 L198 K209 V214 Y231 F242 L251	S197-L211 CarbonylContact C-O 3.5Å; S197-L211 WeakPolarHBondContact CA-O 3.28Å; S197-L211 WeakPolarHBondContact CB-O 3.44Å; L198-L211 HydrophobicContact CB-CB 3.96Å; L198-L211 HydrophobicContact CB-CD1 4.23Å; L198-L211 HydrophobicContact CB-CG 4.24Å; L198-L211 HydrophobicContact CD2-CD1 3.86Å; L198-L211 HydrophobicContact CD2-CG 4.32Å; L198-L211 PolarHBondContact N-O 3.45Å; L198-L211 PolarHBondContact O-N 3.44Å; K209-L211 WeakPolarHBondContact CG-O 3.25Å; L211-V214 HydrophobicContact CB-CG2 4.4Å; L211-Y231 HydrophobicContact CD1-CD1 4.26Å; L211-Y231 HydrophobicContact CD1-CE1 4.14Å; L211-F242 HydrophobicContact CD1-CE1 4.19Å; L211-F242 HydrophobicContact CD1-CE2 4.27Å; L211-F242 HydrophobicContact CD1-CZ 3.64Å; L211-F242 HydrophobicContact CD2-CE1 3.86Å; L211-F242 HydrophobicContact CD2-CZ 4.13Å; L211-L251 HydrophobicContact CD1-CD1 4.15Å; L211-L251 HydrophobicContact CD2-CD1 4.29Å; L211-L251 HydrophobicContact CG-CD1 4.1Å
212	G	96.7	Very high	97.8	Very high	39 Å²	39	42.5 Å²	42.5	40%	0.402	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	-177.7	161	0	0	0	0	0	110.2
213	Q	95.3	Very high	97.8	Very high	136 Å²	136	40 Å²	40	64%	0.636	23%	0.227	S	C	*	.	E	Extended strand (participates in β ladder)	trans	57.4	52.3	176.9	-51.4	-65	83.9	0	0	112.6	K194 G196	K194-Q213 HydrophobicContact CB-CB 4.09Å; K194-Q213 HydrophobicContact CD-CB 4.11Å; K194-Q213 WeakPolarHBondContact CD-O 3.49Å; G196-Q213 PolarHBondContact O-N 3.23Å
214	V	97.1	Very high	97.8	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.006	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	134.6	175	178.6	0	0	0	0	109.4	K194 G196 L211 Y231 D233	K194-V214 CarbonylContact C-O 3.59Å; K194-V214 VanDerWaalsContact CA-O 3.28Å; K194-V214 WeakPolarHBondContact CA-O 3.45Å; G196-V214 VanDerWaalsContact CA-O 3.31Å; G196-V214 WeakPolarHBondContact CA-O 3.31Å; G196-V214 PolarHBondContact N-O 3.4Å; G196-V214 PolarHBondContact O-N 3.47Å; L211-V214 HydrophobicContact CB-CG2 4.4Å; V214-Y231 VanDerWaalsContact CG1-OH 3.31Å; V214-Y231 WeakPolarHBondContact CG1-OH 3.31Å; V214-D233 HydrophobicContact CG1-CB 4.32Å
215	D	95.8	Very high	97.7	Very high	26 Å²	26	39.3 Å²	39.3	14%	0.139	23%	0.228	C	C	.	.	S	Bend	trans	-78.2	-62.8	174.2	-74	-63.5	0	0	0	111.1	K194 D233 L235	K194-D215 WeakPolarHBondContact CA-OD1 3.4Å; K194-D215 VanDerWaalsContact CE-OD2 3.22Å; K194-D215 WeakPolarHBondContact CE-OD2 3.43Å; K194-D215 HydrophobicContact CG-CB 4.44Å; K194-D215 WeakPolarHBondContact CG-OD1 3.05Å; K194-D215 WeakPolarHBondContact CG-OD2 3.43Å; K194-D215 PolarHBondContact N-OD1 3.16Å; D215-D233 WeakPolarHBondContact CB-OD1 3.39Å; D215-D233 PolarHBondContact N-OD1 2.89Å; D215-D233 PolarHBondContact N-OD2 3.19Å; D215-L235 HydrophobicContact CB-CB 3.8Å; D215-L235 HydrophobicContact CB-CD1 3.89Å; D215-L235 HydrophobicContact CB-CG 3.96Å
216	I	97.6	Very high	97.7	Very high	10 Å²	10	38.5 Å²	38.5	5%	0.051	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-135.7	100.3	179.1	-59.6	179.5	0	0	0	108.2	I2 M184 N218 D233 S234 L235	I2-I216 HydrophobicContact CG2-CD1 3.65Å; M184-I216 HydrophobicContact CE-CD1 4.09Å; M184-I216 HydrophobicContact CE-CG1 3.85Å; M184-I216 HydrophobicContact CE-CG2 4.12Å; M184-I216 HydrophobicContact SD-CG1 4.49Å; M184-I216 HydrophobicContact SD-CG2 3.79Å; I216-N218 WeakPolarHBondContact CG2-ND2 3.43Å; I216-N218 PolarHBondContact O-N 3.37Å; I216-D233 PolarHBondContact N-OD1 3.29Å; I216-D233 WeakPolarHBondContact O-CA 3.37Å; I216-S234 PolarHBondContact O-N 3.45Å; I216-L235 HydrophobicContact CD1-CD1 4.23Å; I216-L235 HydrophobicContact CD1-CD2 3.98Å; I216-L235 HydrophobicContact CD1-CG 3.9Å; I216-L235 HydrophobicContact CG1-CD1 4.44Å; I216-L235 HydrophobicContact CG1-CG 4.15Å
217	S	98.6	Very high	97.7	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	122	178.2	-174.3	0	0	0	0	111.1	N169 D170 G182 Y231	N169-S217 WeakPolarHBondContact CB-O 3.41Å; N169-S217 PolarHBondContact ND2-O 3.14Å; D170-S217 PolarHBondContact N-O 2.81Å; G182-S217 VanDerWaalsContact CA-OG 3.3Å; G182-S217 WeakPolarHBondContact CA-OG 3.43Å; S217-Y231 VanDerWaalsContact CA-OH 3.32Å; S217-Y231 WeakPolarHBondContact CA-OH 3.17Å; S217-Y231 WeakPolarHBondContact CB-OH 3.32Å; S217-Y231 WeakPolarHBondContact OG-CE2 3.44Å; S217-Y231 PolarHBondContact OG-OH 3.34Å
218	N	98.8	Very high	97.7	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.011	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	-152.3	-173.1	-115.1	-31.8	0	0	0	112.5	N169 I216 M220 I232 S234 D268	N169-N218 PolarHBondContact ND2-ND2 3.43Å; N169-N218 PolarHBondContact ND2-OD1 3.42Å; N169-N218 VanDerWaalsContact ND2-OD1 3.09Å; I216-N218 WeakPolarHBondContact CG2-ND2 3.43Å; I216-N218 PolarHBondContact O-N 3.37Å; N218-M220 PolarHBondContact O-N 3.05Å; N218-I232 CarbonylContact C-O 3.25Å; N218-I232 WeakPolarHBondContact CA-O 3.36Å; N218-I232 HydrophobicContact CB-CB 4.29Å; N218-I232 HydrophobicContact CB-CG2 3.93Å; N218-I232 PolarHBondContact N-O 2.92Å; N218-S234 WeakPolarHBondContact CB-OG 3.5Å; N218-S234 PolarHBondContact ND2-OG 3.45Å; N218-D268 PolarHBondContact ND2-OD1 2.74Å; N218-D268 PolarHBondContact OD1-OD1 2.81Å
219	G	98.5	Very high	97.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-37.8	129.4	-168.6	0	0	0	0	0	115	D170 Y231 I232 D268	D170-G219 VanDerWaalsContact OD2-CA 3.26Å; D170-G219 WeakPolarHBondContact OD2-CA 3.41Å; D170-G219 PolarHBondContact OD2-N 3.07Å; G219-Y231 CarbonylContact O-C 3.45Å; G219-Y231 WeakPolarHBondContact O-CA 3.48Å; G219-I232 PolarHBondContact O-N 3.49Å; G219-D268 WeakPolarHBondContact CA-O 3.33Å; G219-D268 PolarHBondContact N-O 3.33Å
220	M	98.8	Very high	97.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	143.6	179	71.5	-169	75.5	0	0	111.7	D170 K172 L180 L198 N218 W222 L229 F230 Y231	D170-M220 HydrophobicContact CB-CE 4.47Å; K172-M220 HydrophobicContact CB-CG 3.79Å; K172-M220 HydrophobicContact CB-SD 4.21Å; K172-M220 VanDerWaalsContact CD-O 3.3Å; K172-M220 WeakPolarHBondContact CD-O 3.48Å; K172-M220 WeakPolarHBondContact CE-O 3.43Å; K172-M220 PolarHBondContact NZ-O 2.8Å; L180-M220 HydrophobicContact CB-SD 3.61Å; L198-M220 HydrophobicContact CD1-CE 4.14Å; N218-M220 PolarHBondContact O-N 3.05Å; M220-W222 HydrophobicContact CG-CH2 4.33Å; M220-L229 HydrophobicContact CB-CD1 4.23Å; M220-F230 WeakPolarHBondContact CA-O 3.29Å; M220-Y231 HydrophobicContact CB-CD2 4.13Å; M220-Y231 HydrophobicContact CE-CE2 4.35Å
221	D	98.8	Very high	97.8	Very high	20 Å²	20	31.9 Å²	31.9	11%	0.107	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.4	164.4	175.8	-147.8	-24.8	0	0	0	111.7	K172 F230 T271 L272	K172-D221 IonicContact NZ-OD2 3.18Å; K172-D221 PolarHBondContact NZ-OD2 2.84Å; D221-F230 PolarHBondContact N-O 3.46Å; D221-F230 VanDerWaalsContact N-O 3.11Å; D221-F230 PolarHBondContact O-N 2.91Å; D221-T271 WeakPolarHBondContact OD2-CA 3.07Å; D221-T271 PolarHBondContact OD2-OG1 2.9Å; D221-T271 VanDerWaalsContact OD2-OG1 3.13Å; D221-L272 HydrophobicContact CB-CD1 3.48Å; D221-L272 VanDerWaalsContact CB-CD1 3.48Å; D221-L272 PolarHBondContact OD2-N 2.85Å
222	W	98.7	Very high	97.9	Very high	5 Å²	5	30.5 Å²	30.5	2%	0.019	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	146.8	-171.1	-63.9	-95.8	0	0	0	112.8	K172 A173 D174 P175 L180 M220 T228 L229 Y244	K172-W222 HydrophobicContact CB-CH2 4.14Å; K172-W222 HydrophobicContact CB-CZ3 4.02Å; K172-W222 HydrophobicContact CD-CZ3 3.78Å; K172-W222 HydrophobicContact CG-CH2 4.45Å; K172-W222 HydrophobicContact CG-CZ3 3.85Å; A173-W222 WeakPolarHBondContact O-CZ3 3.21Å; D174-W222 HydrophobicContact CB-CD2 4.07Å; D174-W222 HydrophobicContact CB-CE3 4.36Å; D174-W222 HydrophobicContact CB-CH2 3.75Å; D174-W222 HydrophobicContact CB-CZ2 3.4Å; D174-W222 VanDerWaalsContact CB-CZ2 3.4Å; D174-W222 HydrophobicContact CB-CZ3 4.2Å; P175-W222 HydrophobicContact CG-CB 4.09Å; P175-W222 HydrophobicContact CG-CG 4.32Å; L180-W222 HydrophobicContact CB-CZ2 4.5Å; L180-W222 HydrophobicContact CD1-CH2 3.99Å; L180-W222 HydrophobicContact CD1-CZ2 3.5Å; L180-W222 HydrophobicContact CD2-CZ2 3.78Å; L180-W222 HydrophobicContact CG-CZ2 4.11Å; M220-W222 HydrophobicContact CG-CH2 4.33Å; W222-T228 WeakPolarHBondContact CA-O 3.43Å; W222-L229 HydrophobicContact CD2-CD1 4.09Å; W222-L229 HydrophobicContact CG-CD1 4.39Å; W222-L229 HydrophobicContact CH2-CD1 4.5Å; W222-L229 HydrophobicContact CZ2-CD1 3.73Å; W222-Y244 AromaticContact CD1-CD1 3.83Å; W222-Y244 AromaticContact CD1-CE1 3.75Å; W222-Y244 AromaticContact CD1-CG 3.97Å; W222-Y244 AromaticContact CD1-CZ 3.83Å; W222-Y244 AromaticContact NE1-CD2 3.73Å; W222-Y244 AromaticContact NE1-CE1 3.83Å; W222-Y244 AromaticContact NE1-CE2 3.38Å; W222-Y244 AromaticContact NE1-CZ 3.39Å
223	T	98.3	Very high	98	Very high	24 Å²	24	28.8 Å²	28.8	15%	0.147	15%	0.154	C	C	.	.			trans	-66.7	148.7	166.1	53.8	0	0	0	0	111.2	D225 L226 T228 F230 L272	T223-D225 VanDerWaalsContact CB-OD1 3.26Å; T223-D225 WeakPolarHBondContact CB-OD1 3.3Å; T223-D225 PolarHBondContact O-N 3.2Å; T223-D225 PolarHBondContact OG1-OD1 2.9Å; T223-L226 WeakPolarHBondContact O-CA 3.3Å; T223-L226 PolarHBondContact O-N 2.88Å; T223-T228 HydrophobicContact CG2-CG2 4.36Å; T223-T228 PolarHBondContact N-O 3.5Å; T223-T228 PolarHBondContact OG1-N 2.81Å; T223-T228 PolarHBondContact OG1-O 3.4Å; T223-F230 HydrophobicContact CG2-CE2 3.6Å; T223-F230 HydrophobicContact CG2-CZ 4.13Å; T223-L272 HydrophobicContact CG2-CD2 4.42Å
224	A	95.8	Very high	98.1	Very high	78 Å²	78	22.3 Å²	22.3	65%	0.645	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-25.1	180	0	0	0	0	0	113.7	L226	A224-L226 PolarHBondContact O-N 2.77Å
225	D	96.8	Very high	98.1	Very high	91 Å²	91	26.2 Å²	26.2	49%	0.487	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-0.3	175.2	75.2	-15	0	0	0	113.8	T223 K227	T223-D225 VanDerWaalsContact CB-OD1 3.26Å; T223-D225 WeakPolarHBondContact CB-OD1 3.3Å; T223-D225 PolarHBondContact O-N 3.2Å; T223-D225 PolarHBondContact OG1-OD1 2.9Å; D225-K227 PolarHBondContact O-N 2.84Å; D225-K227 PolarHBondContact OD1-N 3.11Å; D225-K227 VanDerWaalsContact OD1-N 3.14Å; D225-K227 WeakPolarHBondContact OD2-CD 3.23Å
226	L	97.2	Very high	98.1	Very high	41 Å²	41	27.1 Å²	27.1	22%	0.215	16%	0.155	C	C	.	.	S	Bend	trans	59.1	27.5	178.8	-47.5	-176.7	0	0	0	114.1	P175 M176 T223 A224 Y244	P175-L226 HydrophobicContact CB-CD2 3.39Å; P175-L226 HydrophobicContact CG-CD2 3.42Å; P175-L226 VanDerWaalsContact CG-CD2 3.42Å; M176-L226 HydrophobicContact SD-CD1 4.04Å; T223-L226 WeakPolarHBondContact O-CA 3.3Å; T223-L226 PolarHBondContact O-N 2.88Å; A224-L226 PolarHBondContact O-N 2.77Å; L226-Y244 WeakPolarHBondContact O-CD1 3.38Å
227	K	98.1	Very high	98.2	Very high	137 Å²	137	30 Å²	30	60%	0.596	17%	0.169	S	C	*	.			trans	-105.7	-16.7	179.6	-64.8	-176.3	-171.6	166.8	0	114.1	D225 Y244	D225-K227 PolarHBondContact O-N 2.84Å; D225-K227 PolarHBondContact OD1-N 3.11Å; D225-K227 VanDerWaalsContact OD1-N 3.14Å; D225-K227 WeakPolarHBondContact OD2-CD 3.23Å; K227-Y244 PolarHBondContact O-N 2.84Å
228	T	98.8	Very high	98.2	Very high	20 Å²	20	30.3 Å²	30.3	12%	0.123	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	131	-178.4	-59.3	0	0	0	0	111	W222 T223 F230 A241 F242	W222-T228 WeakPolarHBondContact CA-O 3.43Å; T223-T228 HydrophobicContact CG2-CG2 4.36Å; T223-T228 PolarHBondContact N-O 3.5Å; T223-T228 PolarHBondContact OG1-N 2.81Å; T223-T228 PolarHBondContact OG1-O 3.4Å; T228-F230 HydrophobicContact CG2-CD1 4.33Å; T228-F230 HydrophobicContact CG2-CD2 4.34Å; T228-F230 HydrophobicContact CG2-CE1 3.97Å; T228-F230 HydrophobicContact CG2-CE2 4.03Å; T228-F230 HydrophobicContact CG2-CZ 3.83Å; T228-A241 HydrophobicContact CG2-CB 3.83Å; T228-F242 VanDerWaalsContact CA-O 3.29Å; T228-F242 WeakPolarHBondContact CA-O 3.45Å
229	L	98.9	Very high	98.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	129.4	162.2	167.1	69.5	0	0	0	107.9	L180 M220 W222 A241 F242 Y244 L251	L180-L229 HydrophobicContact CD2-CD2 4.06Å; M220-L229 HydrophobicContact CB-CD1 4.23Å; W222-L229 HydrophobicContact CD2-CD1 4.09Å; W222-L229 HydrophobicContact CG-CD1 4.39Å; W222-L229 HydrophobicContact CH2-CD1 4.5Å; W222-L229 HydrophobicContact CZ2-CD1 3.73Å; L229-A241 CarbonylContact O-C 3.49Å; L229-A241 VanDerWaalsContact O-CA 3.32Å; L229-A241 WeakPolarHBondContact O-CA 3.4Å; L229-F242 HydrophobicContact CB-CB 4.47Å; L229-F242 PolarHBondContact N-O 2.8Å; L229-F242 PolarHBondContact O-N 3.48Å; L229-Y244 HydrophobicContact CB-CD2 4.11Å; L229-Y244 HydrophobicContact CB-CG 4.37Å; L229-L251 HydrophobicContact CB-CD2 4.34Å; L229-L251 HydrophobicContact CD2-CD1 3.77Å; L229-L251 HydrophobicContact CD2-CD2 3.5Å; L229-L251 HydrophobicContact CD2-CG 4.3Å
230	F	98.9	Very high	98.2	Very high	10 Å²	10	30.5 Å²	30.5	4%	0.044	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	143.3	163.7	-59.1	-79.6	0	0	0	110.2	M220 D221 T223 T228 V239 D240 A241 V257 M270 L272 L278 P293	M220-F230 WeakPolarHBondContact CA-O 3.29Å; D221-F230 PolarHBondContact N-O 3.46Å; D221-F230 VanDerWaalsContact N-O 3.11Å; D221-F230 PolarHBondContact O-N 2.91Å; T223-F230 HydrophobicContact CG2-CE2 3.6Å; T223-F230 HydrophobicContact CG2-CZ 4.13Å; T228-F230 HydrophobicContact CG2-CD1 4.33Å; T228-F230 HydrophobicContact CG2-CD2 4.34Å; T228-F230 HydrophobicContact CG2-CE1 3.97Å; T228-F230 HydrophobicContact CG2-CE2 4.03Å; T228-F230 HydrophobicContact CG2-CZ 3.83Å; F230-V239 HydrophobicContact CB-CG1 4.38Å; F230-D240 CarbonylContact C-O 3.52Å; F230-D240 VanDerWaalsContact CA-O 3.23Å; F230-D240 WeakPolarHBondContact CA-O 3.41Å; F230-A241 HydrophobicContact CD1-CB 3.81Å; F230-A241 HydrophobicContact CE1-CB 3.83Å; F230-V257 HydrophobicContact CD1-CG2 3.93Å; F230-V257 HydrophobicContact CE1-CG1 4.21Å; F230-V257 HydrophobicContact CE1-CG2 4.02Å; F230-M270 HydrophobicContact CB-CE 3.56Å; F230-L272 HydrophobicContact CD2-CD1 3.79Å; F230-L272 HydrophobicContact CE2-CD1 4.19Å; F230-L272 HydrophobicContact CE2-CD2 4.2Å; F230-L278 HydrophobicContact CB-CD2 4.17Å; F230-L278 HydrophobicContact CD1-CD1 3.99Å; F230-L278 HydrophobicContact CD1-CD2 4.29Å; F230-L278 HydrophobicContact CD2-CD2 3.61Å; F230-L278 HydrophobicContact CE1-CD1 4.23Å; F230-L278 HydrophobicContact CE2-CD2 3.95Å; F230-L278 HydrophobicContact CG-CD1 4.25Å; F230-L278 HydrophobicContact CG-CD2 3.76Å; F230-L278 HydrophobicContact CZ-CD2 4.44Å; F230-P293 HydrophobicContact CE1-CB 3.51Å; F230-P293 HydrophobicContact CE1-CG 4.23Å; F230-P293 HydrophobicContact CZ-CB 3.58Å; F230-P293 HydrophobicContact CZ-CG 3.77Å
231	Y	98.9	Very high	98.2	Very high	1 Å²	1	30.6 Å²	30.6	0%	0.004	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	142.8	-174.8	178.4	-108.4	0	0	0	111.5	L198 L211 V214 S217 G219 M220 D233 D240 F242	L198-Y231 HydrophobicContact CD1-CE2 4.04Å; L198-Y231 HydrophobicContact CD2-CD2 4.14Å; L198-Y231 HydrophobicContact CD2-CE2 3.98Å; L198-Y231 HydrophobicContact CG-CE2 4.48Å; L211-Y231 HydrophobicContact CD1-CD1 4.26Å; L211-Y231 HydrophobicContact CD1-CE1 4.14Å; V214-Y231 VanDerWaalsContact CG1-OH 3.31Å; V214-Y231 WeakPolarHBondContact CG1-OH 3.31Å; S217-Y231 VanDerWaalsContact CA-OH 3.32Å; S217-Y231 WeakPolarHBondContact CA-OH 3.17Å; S217-Y231 WeakPolarHBondContact CB-OH 3.32Å; S217-Y231 WeakPolarHBondContact OG-CE2 3.44Å; S217-Y231 PolarHBondContact OG-OH 3.34Å; G219-Y231 CarbonylContact O-C 3.45Å; G219-Y231 WeakPolarHBondContact O-CA 3.48Å; M220-Y231 HydrophobicContact CB-CD2 4.13Å; M220-Y231 HydrophobicContact CE-CE2 4.35Å; Y231-D233 HydrophobicContact CE1-CB 4.3Å; Y231-D240 PolarHBondContact N-O 3.29Å; Y231-D240 PolarHBondContact O-N 3.34Å; Y231-F242 HydrophobicContact CD1-CE2 4.22Å; Y231-F242 HydrophobicContact CG-CE2 4.48Å
232	I	98.9	Very high	98.2	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	123.6	176.7	-68.5	163	0	0	0	108.9	N218 G219 V239 P267 D268 M270 V280	N218-I232 CarbonylContact C-O 3.25Å; N218-I232 WeakPolarHBondContact CA-O 3.36Å; N218-I232 HydrophobicContact CB-CB 4.29Å; N218-I232 HydrophobicContact CB-CG2 3.93Å; N218-I232 PolarHBondContact N-O 2.92Å; G219-I232 PolarHBondContact O-N 3.49Å; I232-V239 HydrophobicContact CD1-CG2 4.13Å; I232-V239 HydrophobicContact CG1-CB 4.42Å; I232-V239 HydrophobicContact CG1-CG1 4.26Å; I232-V239 HydrophobicContact CG1-CG2 4.02Å; I232-P267 HydrophobicContact CD1-CB 4.08Å; I232-P267 HydrophobicContact CG1-CB 4.34Å; I232-P267 HydrophobicContact CG2-CB 3.76Å; I232-P267 HydrophobicContact CG2-CG 3.81Å; I232-P267 WeakPolarHBondContact CG2-O 3.47Å; I232-D268 WeakPolarHBondContact CD1-O 3.46Å; I232-M270 HydrophobicContact CD1-CB 3.83Å; I232-M270 HydrophobicContact CD1-CE 3.87Å; I232-M270 HydrophobicContact CD1-SD 4.05Å; I232-M270 HydrophobicContact CG1-CE 4.08Å; I232-V280 HydrophobicContact CD1-CG1 3.97Å; I232-V280 HydrophobicContact CD1-CG2 4.49Å
233	D	98.6	Very high	98.2	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.016	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	111.5	152.5	179.3	-4.4	0	0	0	106.3	V214 D215 I216 Y231 L235 A236	V214-D233 HydrophobicContact CG1-CB 4.32Å; D215-D233 WeakPolarHBondContact CB-OD1 3.39Å; D215-D233 PolarHBondContact N-OD1 2.89Å; D215-D233 PolarHBondContact N-OD2 3.19Å; I216-D233 PolarHBondContact N-OD1 3.29Å; I216-D233 WeakPolarHBondContact O-CA 3.37Å; Y231-D233 HydrophobicContact CE1-CB 4.3Å; D233-L235 VanDerWaalsContact C-N 3.26Å; D233-L235 PolarHBondContact O-N 2.88Å; D233-L235 VanDerWaalsContact O-N 3.16Å; D233-A236 HydrophobicContact CB-CB 4.12Å; D233-A236 VanDerWaalsContact O-CB 3.26Å; D233-A236 WeakPolarHBondContact O-CB 3.26Å; D233-A236 PolarHBondContact O-N 2.97Å
234	S	98.4	Very high	98.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-57.1	-39.4	-165.6	-66.3	0	0	0	0	113.2	I216 N218 A236 M237 V266 P267	I216-S234 PolarHBondContact O-N 3.45Å; N218-S234 WeakPolarHBondContact CB-OG 3.5Å; N218-S234 PolarHBondContact ND2-OG 3.45Å; S234-A236 VanDerWaalsContact C-N 3.25Å; S234-A236 PolarHBondContact O-N 2.79Å; S234-M237 PolarHBondContact O-N 2.87Å; S234-M237 VanDerWaalsContact O-N 3.16Å; S234-V266 VanDerWaalsContact O-CG1 3.27Å; S234-V266 WeakPolarHBondContact O-CG1 3.41Å; S234-P267 VanDerWaalsContact CB-O 3.23Å; S234-P267 WeakPolarHBondContact CB-O 3.5Å; S234-P267 PolarHBondContact OG-O 3.18Å
235	L	96.4	Very high	98.3	Very high	83 Å²	83	31.9 Å²	31.9	44%	0.435	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-79.8	-6.7	-178.2	-55.2	-167.8	0	0	0	113.4	W3 D215 I216 D233	W3-L235 HydrophobicContact CZ3-CD2 4.32Å; D215-L235 HydrophobicContact CB-CB 3.8Å; D215-L235 HydrophobicContact CB-CD1 3.89Å; D215-L235 HydrophobicContact CB-CG 3.96Å; I216-L235 HydrophobicContact CD1-CD1 4.23Å; I216-L235 HydrophobicContact CD1-CD2 3.98Å; I216-L235 HydrophobicContact CD1-CG 3.9Å; I216-L235 HydrophobicContact CG1-CD1 4.44Å; I216-L235 HydrophobicContact CG1-CG 4.15Å; D233-L235 VanDerWaalsContact C-N 3.26Å; D233-L235 PolarHBondContact O-N 2.88Å; D233-L235 VanDerWaalsContact O-N 3.16Å
236	A	97.1	Very high	98.3	Very high	44 Å²	44	29.4 Å²	29.4	36%	0.364	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-74.7	-14.1	167.1	0	0	0	0	0	112.5	D233 S234 S238	D233-A236 HydrophobicContact CB-CB 4.12Å; D233-A236 VanDerWaalsContact O-CB 3.26Å; D233-A236 WeakPolarHBondContact O-CB 3.26Å; D233-A236 PolarHBondContact O-N 2.97Å; S234-A236 VanDerWaalsContact C-N 3.25Å; S234-A236 PolarHBondContact O-N 2.79Å; A236-S238 PolarHBondContact O-N 2.71Å
237	M	98.2	Very high	98.2	Very high	70 Å²	70	31.6 Å²	31.6	35%	0.345	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	30.6	-179.7	-58.8	-63.4	-62.3	0	0	113.4	S234 L260 G265 V266	S234-M237 PolarHBondContact O-N 2.87Å; S234-M237 VanDerWaalsContact O-N 3.16Å; M237-L260 HydrophobicContact CE-CB 4.23Å; M237-L260 PolarHBondContact O-N 2.87Å; M237-G265 VanDerWaalsContact CE-O 3.28Å; M237-G265 WeakPolarHBondContact CE-O 3.41Å; M237-V266 HydrophobicContact CE-CG2 4.42Å; M237-V266 HydrophobicContact SD-CB 4.32Å; M237-V266 HydrophobicContact SD-CG1 3.88Å; M237-V266 HydrophobicContact SD-CG2 4.08Å
238	S	98.6	Very high	98	Very high	8 Å²	8	26.7 Å²	26.7	6%	0.056	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	156.7	180	64.9	0	0	0	0	112	A236 D240 Y258	A236-S238 PolarHBondContact O-N 2.71Å; S238-D240 WeakPolarHBondContact CB-OD1 3.42Å; S238-D240 PolarHBondContact OG-OD1 2.87Å; S238-Y258 CarbonylContact C-O 3.25Å; S238-Y258 WeakPolarHBondContact CA-O 3.35Å; S238-Y258 VanDerWaalsContact CB-O 3.25Å; S238-Y258 WeakPolarHBondContact CB-O 3.35Å
239	V	98.9	Very high	97.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	125.5	158.8	-172.4	0	0	0	0	107.4	F230 I232 V257 Y258 M270 L278 V280	F230-V239 HydrophobicContact CB-CG1 4.38Å; I232-V239 HydrophobicContact CD1-CG2 4.13Å; I232-V239 HydrophobicContact CG1-CB 4.42Å; I232-V239 HydrophobicContact CG1-CG1 4.26Å; I232-V239 HydrophobicContact CG1-CG2 4.02Å; V239-V257 HydrophobicContact CB-CG2 4.03Å; V239-V257 HydrophobicContact CG1-CG2 3.91Å; V239-V257 VanDerWaalsContact O-CG2 3.25Å; V239-V257 WeakPolarHBondContact O-CG2 3.28Å; V239-V257 PolarHBondContact O-N 2.97Å; V239-Y258 PolarHBondContact N-O 2.56Å; V239-Y258 PolarHBondContact O-N 2.69Å; V239-M270 HydrophobicContact CG1-CE 3.74Å; V239-M270 HydrophobicContact CG1-SD 3.79Å; V239-M270 HydrophobicContact CG2-SD 4.46Å; V239-L278 HydrophobicContact CG1-CD1 3.92Å; V239-V280 HydrophobicContact CG2-CG2 4.06Å
240	D	98.9	Very high	97.8	Very high	6 Å²	6	32.8 Å²	32.8	3%	0.032	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	154.8	179	-66	-2.8	0	0	0	110.5	F230 Y231 S238 F242 R254 R255 V256	F230-D240 CarbonylContact C-O 3.52Å; F230-D240 VanDerWaalsContact CA-O 3.23Å; F230-D240 WeakPolarHBondContact CA-O 3.41Å; Y231-D240 PolarHBondContact N-O 3.29Å; Y231-D240 PolarHBondContact O-N 3.34Å; S238-D240 WeakPolarHBondContact CB-OD1 3.42Å; S238-D240 PolarHBondContact OG-OD1 2.87Å; D240-F242 HydrophobicContact CB-CE2 4.39Å; D240-R254 HydrophobicContact CB-CG 4.41Å; D240-R254 IonicContact OD2-CZ 3.33Å; D240-R254 IonicContact OD2-NE 3.88Å; D240-R254 PolarHBondContact OD2-NE 2.55Å; D240-R254 IonicContact OD2-NH2 3.95Å; D240-R254 PolarHBondContact OD2-NH2 3.46Å; D240-R255 CarbonylContact C-O 3.56Å; D240-R255 VanDerWaalsContact CA-O 3.31Å; D240-R255 WeakPolarHBondContact CA-O 3.37Å; D240-V256 WeakPolarHBondContact OD1-CG2 3.28Å
241	A	98.9	Very high	97.8	Very high	1 Å²	1	34 Å²	34	1%	0.008	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	146.7	171.1	0	0	0	0	0	110.2	T228 L229 F230 R254 R255 V257	T228-A241 HydrophobicContact CG2-CB 3.83Å; L229-A241 CarbonylContact O-C 3.49Å; L229-A241 VanDerWaalsContact O-CA 3.32Å; L229-A241 WeakPolarHBondContact O-CA 3.4Å; F230-A241 HydrophobicContact CD1-CB 3.81Å; F230-A241 HydrophobicContact CE1-CB 3.83Å; A241-R254 CarbonylContact O-C 3.14Å; A241-R254 WeakPolarHBondContact O-CA 3.15Å; A241-R255 HydrophobicContact CB-CG 3.99Å; A241-R255 PolarHBondContact N-O 3.06Å; A241-R255 PolarHBondContact O-N 3.29Å; A241-V257 HydrophobicContact CB-CG1 3.55Å
242	F	98.9	Very high	97.8	Very high	7 Å²	7	35.4 Å²	35.4	3%	0.031	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	144.9	172.3	-66.7	-99.2	0	0	0	108.9	L211 T228 L229 Y231 D240 Y244 L251 G252 R254	L211-F242 HydrophobicContact CD1-CE1 4.19Å; L211-F242 HydrophobicContact CD1-CE2 4.27Å; L211-F242 HydrophobicContact CD1-CZ 3.64Å; L211-F242 HydrophobicContact CD2-CE1 3.86Å; L211-F242 HydrophobicContact CD2-CZ 4.13Å; T228-F242 VanDerWaalsContact CA-O 3.29Å; T228-F242 WeakPolarHBondContact CA-O 3.45Å; L229-F242 HydrophobicContact CB-CB 4.47Å; L229-F242 PolarHBondContact N-O 2.8Å; L229-F242 PolarHBondContact O-N 3.48Å; Y231-F242 HydrophobicContact CD1-CE2 4.22Å; Y231-F242 HydrophobicContact CG-CE2 4.48Å; D240-F242 HydrophobicContact CB-CE2 4.39Å; F242-Y244 PolarHBondContact O-N 3.02Å; F242-L251 HydrophobicContact CB-CB 4.18Å; F242-L251 HydrophobicContact CB-CD2 4.39Å; F242-L251 HydrophobicContact CD1-CB 3.78Å; F242-L251 HydrophobicContact CD1-CD1 4.3Å; F242-L251 HydrophobicContact CE1-CB 4.46Å; F242-L251 HydrophobicContact CG-CB 4.18Å; F242-L251 HydrophobicContact CG-CD1 4.33Å; F242-G252 CarbonylContact C-O 3.52Å; F242-G252 WeakPolarHBondContact CA-O 3.38Å; F242-R254 HydrophobicContact CD1-CB 3.85Å; F242-R254 HydrophobicContact CD1-CG 4.25Å; F242-R254 HydrophobicContact CE1-CB 3.47Å; F242-R254 VanDerWaalsContact CE1-CB 3.47Å; F242-R254 HydrophobicContact CE1-CG 3.59Å; F242-R254 HydrophobicContact CE2-CG 4.06Å; F242-R254 HydrophobicContact CZ-CB 3.95Å; F242-R254 VanDerWaalsContact CZ-CD 3.45Å; F242-R254 HydrophobicContact CZ-CG 3.48Å; F242-R254 VanDerWaalsContact CZ-CG 3.48Å
243	D	98.8	Very high	97.7	Very high	64 Å²	64	41 Å²	41	34%	0.342	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	131	159.1	-66.2	-1.5	0	0	0	107.5	L251 G252 N253 R255	D243-L251 CarbonylContact O-C 3.33Å; D243-L251 WeakPolarHBondContact O-CA 3.37Å; D243-G252 PolarHBondContact N-O 3.22Å; D243-G252 PolarHBondContact O-N 3.39Å; D243-N253 HydrophobicContact CB-CB 4.36Å; D243-N253 WeakPolarHBondContact OD2-CB 3.32Å; D243-N253 PolarHBondContact OD2-ND2 2.72Å; D243-R255 IonicContact OD1-CZ 2.67Å; D243-R255 IonicContact OD1-NH1 3.71Å; D243-R255 PolarHBondContact OD1-NH1 3.09Å; D243-R255 IonicContact OD1-NH2 3.7Å
244	Y	98.6	Very high	97.7	Very high	10 Å²	10	46.2 Å²	46.2	4%	0.039	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	116.7	-173.9	179.2	-101.5	0	0	0	109.5	D174 R178 W222 L226 K227 L229 F242 S246 L251	D174-Y244 WeakPolarHBondContact CB-OH 3.48Å; D174-Y244 PolarHBondContact OD2-OH 2.85Å; R178-Y244 PolarHBondContact NH2-OH 3.5Å; W222-Y244 AromaticContact CD1-CD1 3.83Å; W222-Y244 AromaticContact CD1-CE1 3.75Å; W222-Y244 AromaticContact CD1-CG 3.97Å; W222-Y244 AromaticContact CD1-CZ 3.83Å; W222-Y244 AromaticContact NE1-CD2 3.73Å; W222-Y244 AromaticContact NE1-CE1 3.83Å; W222-Y244 AromaticContact NE1-CE2 3.38Å; W222-Y244 AromaticContact NE1-CZ 3.39Å; L226-Y244 WeakPolarHBondContact O-CD1 3.38Å; K227-Y244 PolarHBondContact O-N 2.84Å; L229-Y244 HydrophobicContact CB-CD2 4.11Å; L229-Y244 HydrophobicContact CB-CG 4.37Å; F242-Y244 PolarHBondContact O-N 3.02Å; Y244-S246 PolarHBondContact O-N 2.84Å; Y244-L251 HydrophobicContact CD2-CD2 3.63Å; Y244-L251 HydrophobicContact CE2-CD2 4.29Å
245	D	98	Very high	97.7	Very high	73 Å²	73	50.6 Å²	50.6	39%	0.39	28%	0.277	S	S	.	.			trans	-84.2	102.2	172.6	173	8.1	0	0	0	108.9	A247 S248 G249 K250	D245-A247 PolarHBondContact O-N 3.08Å; D245-A247 WeakPolarHBondContact OD1-CB 3.22Å; D245-A247 PolarHBondContact OD1-N 2.89Å; D245-S248 VanDerWaalsContact CG-OG 3.23Å; D245-S248 PolarHBondContact O-N 3.28Å; D245-S248 PolarHBondContact OD1-N 2.91Å; D245-S248 VanDerWaalsContact OD2-CB 3.28Å; D245-S248 WeakPolarHBondContact OD2-CB 3.39Å; D245-S248 PolarHBondContact OD2-OG 3.47Å; D245-G249 VanDerWaalsContact O-CA 3.28Å; D245-G249 WeakPolarHBondContact O-CA 3.31Å; D245-G249 PolarHBondContact O-N 3.46Å; D245-K250 PolarHBondContact N-O 2.98Å
246	S	96	Very high	97.9	Very high	40 Å²	40	49.5 Å²	49.5	28%	0.28	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-29.6	-179	62.4	0	0	0	0	113.2	R178 Y244	R178-S246 PolarHBondContact NH1-O 2.93Å; R178-S246 PolarHBondContact NH2-O 2.91Å; Y244-S246 PolarHBondContact O-N 2.84Å
247	A	95.4	Very high	97.9	Very high	86 Å²	86	48.3 Å²	48.3	71%	0.711	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-45.1	179.3	0	0	0	0	0	111.6	R178 D245	R178-A247 PolarHBondContact NH1-O 3.26Å; D245-A247 PolarHBondContact O-N 3.08Å; D245-A247 WeakPolarHBondContact OD1-CB 3.22Å; D245-A247 PolarHBondContact OD1-N 2.89Å
248	S	94.5	Very high	98	Very high	35 Å²	35	46 Å²	46	25%	0.245	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-24.1	-174.8	72.9	0	0	0	0	115.1	D245 K250	D245-S248 VanDerWaalsContact CG-OG 3.23Å; D245-S248 PolarHBondContact O-N 3.28Å; D245-S248 PolarHBondContact OD1-N 2.91Å; D245-S248 VanDerWaalsContact OD2-CB 3.28Å; D245-S248 WeakPolarHBondContact OD2-CB 3.39Å; D245-S248 PolarHBondContact OD2-OG 3.47Å; S248-K250 VanDerWaalsContact C-N 3.32Å; S248-K250 WeakPolarHBondContact OG-CB 3.12Å; S248-K250 VanDerWaalsContact OG-CG 3.26Å; S248-K250 WeakPolarHBondContact OG-CG 3.32Å; S248-K250 PolarHBondContact OG-N 2.81Å
249	G	95.6	Very high	98	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.279	C	S	.	.			trans	81.9	9.5	-172.4	0	0	0	0	0	113.3	D245	D245-G249 VanDerWaalsContact O-CA 3.28Å; D245-G249 WeakPolarHBondContact O-CA 3.31Å; D245-G249 PolarHBondContact O-N 3.46Å
250	K	97.3	Very high	97.9	Very high	147 Å²	147	55 Å²	55	64%	0.639	28%	0.283	S	S	*	.			trans	-72.6	147.4	179.6	-73.2	177.8	-179.7	-179.2	0	111.6	D245 S248	D245-K250 PolarHBondContact N-O 2.98Å; S248-K250 VanDerWaalsContact C-N 3.32Å; S248-K250 WeakPolarHBondContact OG-CB 3.12Å; S248-K250 VanDerWaalsContact OG-CG 3.26Å; S248-K250 WeakPolarHBondContact OG-CG 3.32Å; S248-K250 PolarHBondContact OG-N 2.81Å
251	L	98.6	Very high	97.8	Very high	37 Å²	37	57.1 Å²	57.1	19%	0.194	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	139.4	177.4	-51	-174	0	0	0	110.4	L198 L210 L211 L229 F242 D243 Y244	L198-L251 HydrophobicContact CD2-CD1 4.17Å; L210-L251 HydrophobicContact CB-CD1 4.13Å; L210-L251 HydrophobicContact CB-CG 4.48Å; L210-L251 HydrophobicContact CD1-CD1 4.01Å; L210-L251 HydrophobicContact CD1-CG 4.09Å; L211-L251 HydrophobicContact CD1-CD1 4.15Å; L211-L251 HydrophobicContact CD2-CD1 4.29Å; L211-L251 HydrophobicContact CG-CD1 4.1Å; L229-L251 HydrophobicContact CB-CD2 4.34Å; L229-L251 HydrophobicContact CD2-CD1 3.77Å; L229-L251 HydrophobicContact CD2-CD2 3.5Å; L229-L251 HydrophobicContact CD2-CG 4.3Å; F242-L251 HydrophobicContact CB-CB 4.18Å; F242-L251 HydrophobicContact CB-CD2 4.39Å; F242-L251 HydrophobicContact CD1-CB 3.78Å; F242-L251 HydrophobicContact CD1-CD1 4.3Å; F242-L251 HydrophobicContact CE1-CB 4.46Å; F242-L251 HydrophobicContact CG-CB 4.18Å; F242-L251 HydrophobicContact CG-CD1 4.33Å; D243-L251 CarbonylContact O-C 3.33Å; D243-L251 WeakPolarHBondContact O-CA 3.37Å; Y244-L251 HydrophobicContact CD2-CD2 3.63Å; Y244-L251 HydrophobicContact CE2-CD2 4.29Å
252	G	98.2	Very high	97.6	Very high	29 Å²	29	64.3 Å²	64.3	30%	0.299	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	171.3	174.3	0	0	0	0	0	112.2	F242 D243 R254	F242-G252 CarbonylContact C-O 3.52Å; F242-G252 WeakPolarHBondContact CA-O 3.38Å; D243-G252 PolarHBondContact N-O 3.22Å; D243-G252 PolarHBondContact O-N 3.39Å; G252-R254 PolarHBondContact O-N 2.99Å
253	N	98.3	Very high	97.4	Very high	119 Å²	119	66.8 Å²	66.8	64%	0.636	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	46.5	53.4	167.1	-59.3	-30.1	0	0	0	115	D243 R255	D243-N253 HydrophobicContact CB-CB 4.36Å; D243-N253 WeakPolarHBondContact OD2-CB 3.32Å; D243-N253 PolarHBondContact OD2-ND2 2.72Å; N253-R255 PolarHBondContact O-N 3.21Å; N253-R255 PolarHBondContact O-NH1 2.84Å; N253-R255 VanDerWaalsContact O-NH1 3.13Å
254	R	98.6	Very high	97.3	Very high	112 Å²	112	64 Å²	64	42%	0.423	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.9	129.6	175.2	-172.6	177.1	-179.1	163.1	0.6	110.4	D240 A241 F242 G252	D240-R254 HydrophobicContact CB-CG 4.41Å; D240-R254 IonicContact OD2-CZ 3.33Å; D240-R254 IonicContact OD2-NE 3.88Å; D240-R254 PolarHBondContact OD2-NE 2.55Å; D240-R254 IonicContact OD2-NH2 3.95Å; D240-R254 PolarHBondContact OD2-NH2 3.46Å; A241-R254 CarbonylContact O-C 3.14Å; A241-R254 WeakPolarHBondContact O-CA 3.15Å; F242-R254 HydrophobicContact CD1-CB 3.85Å; F242-R254 HydrophobicContact CD1-CG 4.25Å; F242-R254 HydrophobicContact CE1-CB 3.47Å; F242-R254 VanDerWaalsContact CE1-CB 3.47Å; F242-R254 HydrophobicContact CE1-CG 3.59Å; F242-R254 HydrophobicContact CE2-CG 4.06Å; F242-R254 HydrophobicContact CZ-CB 3.95Å; F242-R254 VanDerWaalsContact CZ-CD 3.45Å; F242-R254 HydrophobicContact CZ-CG 3.48Å; F242-R254 VanDerWaalsContact CZ-CG 3.48Å; G252-R254 PolarHBondContact O-N 2.99Å
255	R	98.7	Very high	97.3	Very high	92 Å²	92	64.2 Å²	64.2	35%	0.347	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	142.9	179.3	64	-156.8	177.6	-93.5	4.8	110.9	D240 A241 D243 N253	D240-R255 CarbonylContact C-O 3.56Å; D240-R255 VanDerWaalsContact CA-O 3.31Å; D240-R255 WeakPolarHBondContact CA-O 3.37Å; A241-R255 HydrophobicContact CB-CG 3.99Å; A241-R255 PolarHBondContact N-O 3.06Å; A241-R255 PolarHBondContact O-N 3.29Å; D243-R255 IonicContact OD1-CZ 2.67Å; D243-R255 IonicContact OD1-NH1 3.71Å; D243-R255 PolarHBondContact OD1-NH1 3.09Å; D243-R255 IonicContact OD1-NH2 3.7Å; N253-R255 PolarHBondContact O-N 3.21Å; N253-R255 PolarHBondContact O-NH1 2.84Å; N253-R255 VanDerWaalsContact O-NH1 3.13Å
256	V	98.8	Very high	97.3	Very high	59 Å²	59	61.4 Å²	61.4	36%	0.358	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	129.2	175.6	177	0	0	0	0	109.1	D240 R259	D240-V256 WeakPolarHBondContact OD1-CG2 3.28Å; V256-R259 HydrophobicContact CG1-CG 3.71Å
257	V	98.8	Very high	97.4	Very high	20 Å²	20	59.5 Å²	59.5	12%	0.121	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	-24.8	173.3	-63	0	0	0	0	112.7	F230 V239 A241 L278 P293 G296	F230-V257 HydrophobicContact CD1-CG2 3.93Å; F230-V257 HydrophobicContact CE1-CG1 4.21Å; F230-V257 HydrophobicContact CE1-CG2 4.02Å; V239-V257 HydrophobicContact CB-CG2 4.03Å; V239-V257 HydrophobicContact CG1-CG2 3.91Å; V239-V257 VanDerWaalsContact O-CG2 3.25Å; V239-V257 WeakPolarHBondContact O-CG2 3.28Å; V239-V257 PolarHBondContact O-N 2.97Å; A241-V257 HydrophobicContact CB-CG1 3.55Å; V257-L278 HydrophobicContact CG2-CD1 4.26Å; V257-P293 HydrophobicContact CB-CB 4.36Å; V257-P293 HydrophobicContact CG2-CB 4.35Å; V257-G296 WeakPolarHBondContact O-CA 3.41Å
258	Y	98.9	Very high	97.6	Very high	20 Å²	20	55.8 Å²	55.8	8%	0.078	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	141.6	174.7	-172.5	-101.6	0	0	0	110.9	S238 V239 L260 E264 L289 I291 G296 R298	S238-Y258 CarbonylContact C-O 3.25Å; S238-Y258 WeakPolarHBondContact CA-O 3.35Å; S238-Y258 VanDerWaalsContact CB-O 3.25Å; S238-Y258 WeakPolarHBondContact CB-O 3.35Å; V239-Y258 PolarHBondContact N-O 2.56Å; V239-Y258 PolarHBondContact O-N 2.69Å; Y258-L260 HydrophobicContact CD1-CD1 3.95Å; Y258-L260 HydrophobicContact CD1-CG 4.36Å; Y258-L260 HydrophobicContact CE1-CD1 4.11Å; Y258-L260 HydrophobicContact CE1-CG 4Å; Y258-E264 PolarHBondContact OH-OE1 2.67Å; Y258-E264 PolarHBondContact OH-OE2 3.18Å; Y258-L289 HydrophobicContact CE1-CD1 4.16Å; Y258-I291 HydrophobicContact CD1-CD1 3.48Å; Y258-I291 VanDerWaalsContact CD1-CD1 3.48Å; Y258-I291 HydrophobicContact CD1-CG1 4.3Å; Y258-I291 HydrophobicContact CD2-CD1 4.16Å; Y258-I291 HydrophobicContact CD2-CG1 4.13Å; Y258-I291 HydrophobicContact CD2-CG2 3.65Å; Y258-I291 HydrophobicContact CE1-CD1 3.67Å; Y258-I291 HydrophobicContact CE1-CG1 4.31Å; Y258-I291 HydrophobicContact CE2-CD1 4.32Å; Y258-I291 HydrophobicContact CE2-CG1 4.13Å; Y258-I291 HydrophobicContact CE2-CG2 4.35Å; Y258-I291 HydrophobicContact CG-CD1 3.75Å; Y258-I291 HydrophobicContact CG-CG1 4.22Å; Y258-I291 HydrophobicContact CG-CG2 3.86Å; Y258-G296 WeakPolarHBondContact CD2-O 3.39Å; Y258-R298 HydrophobicContact CE2-CB 4.21Å
259	R	98.7	Very high	97.8	Very high	179 Å²	179	54.1 Å²	54.1	68%	0.675	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.7	130	170.1	-67.7	-172.2	-179.8	82.5	1.2	108.4	V256 A261	V256-R259 HydrophobicContact CG1-CG 3.71Å; R259-A261 PolarHBondContact O-N 2.86Å
260	L	98	Very high	98	Very high	18 Å²	18	54.2 Å²	54.2	9%	0.094	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-71.3	133.2	179.3	-80.1	78.2	0	0	0	109.7	M237 Y258 E264 G265 P267	M237-L260 HydrophobicContact CE-CB 4.23Å; M237-L260 PolarHBondContact O-N 2.87Å; Y258-L260 HydrophobicContact CD1-CD1 3.95Å; Y258-L260 HydrophobicContact CD1-CG 4.36Å; Y258-L260 HydrophobicContact CE1-CD1 4.11Å; Y258-L260 HydrophobicContact CE1-CG 4Å; L260-E264 VanDerWaalsContact CA-OE2 3.31Å; L260-E264 WeakPolarHBondContact CA-OE2 3.41Å; L260-E264 HydrophobicContact CB-CB 4.45Å; L260-E264 HydrophobicContact CD2-CB 4.28Å; L260-G265 WeakPolarHBondContact CD2-O 3.22Å; L260-P267 HydrophobicContact CD1-CB 3.65Å; L260-P267 HydrophobicContact CD1-CG 3.65Å; L260-P267 HydrophobicContact CD2-CB 3.92Å; L260-P267 HydrophobicContact CD2-CG 4.14Å; L260-P267 HydrophobicContact CG-CB 4.42Å; L260-P267 HydrophobicContact CG-CG 4.48Å
261	A	96.5	Very high	98	Very high	52 Å²	52	47.9 Å²	47.9	43%	0.43	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-76.8	159.7	174.8	0	0	0	0	0	110.8	R259 G263 E264	R259-A261 PolarHBondContact O-N 2.86Å; A261-G263 PolarHBondContact O-N 2.88Å; A261-E264 HydrophobicContact CB-CG 4Å; A261-E264 PolarHBondContact N-OE2 2.93Å; A261-E264 WeakPolarHBondContact O-CB 3.25Å; A261-E264 PolarHBondContact O-N 3.14Å; A261-E264 VanDerWaalsContact O-N 3.14Å
262	E	94.8	Very high	98	Very high	151 Å²	151	46.3 Å²	46.3	71%	0.706	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	135.5	170.4	178.1	171.1	-168.7	0	0	111.1	R10 E264	R10-E262 IonicContact CZ-OE1 3.34Å; R10-E262 IonicContact NH1-OE1 2.69Å; R10-E262 PolarHBondContact NH1-OE1 2.69Å; R10-E262 IonicContact NH1-OE2 3.18Å; R10-E262 PolarHBondContact NH1-OE2 2.84Å; E262-E264 VanDerWaalsContact C-N 3.28Å; E262-E264 PolarHBondContact O-N 3.24Å
263	G	95.2	Very high	98.1	Very high	59 Å²	59	44.9 Å²	44.9	61%	0.608	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.8	-0.5	-179.1	0	0	0	0	0	115.1	A261 G265 R287	A261-G263 PolarHBondContact O-N 2.88Å; G263-G265 VanDerWaalsContact C-N 3.34Å; G263-R287 PolarHBondContact O-NH2 3.27Å
264	E	96.4	Very high	98	Very high	6 Å²	6	42 Å²	42	3%	0.028	23%	0.225	C	C	.	.	S	Bend	trans	-76.5	-23.7	172.4	-66.2	-169.5	148.9	0	0	112.9	Y258 L260 A261 E262 C282 G285 L289 R298	Y258-E264 PolarHBondContact OH-OE1 2.67Å; Y258-E264 PolarHBondContact OH-OE2 3.18Å; L260-E264 VanDerWaalsContact CA-OE2 3.31Å; L260-E264 WeakPolarHBondContact CA-OE2 3.41Å; L260-E264 HydrophobicContact CB-CB 4.45Å; L260-E264 HydrophobicContact CD2-CB 4.28Å; A261-E264 HydrophobicContact CB-CG 4Å; A261-E264 PolarHBondContact N-OE2 2.93Å; A261-E264 WeakPolarHBondContact O-CB 3.25Å; A261-E264 PolarHBondContact O-N 3.14Å; A261-E264 VanDerWaalsContact O-N 3.14Å; E262-E264 VanDerWaalsContact C-N 3.28Å; E262-E264 PolarHBondContact O-N 3.24Å; E264-C282 WeakPolarHBondContact O-CB 3.34Å; E264-G285 WeakPolarHBondContact O-CA 3.43Å; E264-L289 HydrophobicContact CB-CD1 4.42Å; E264-L289 HydrophobicContact CG-CD1 4.49Å; E264-R298 IonicContact OE1-CZ 3.41Å; E264-R298 IonicContact OE1-NE 3.99Å; E264-R298 IonicContact OE1-NH1 2.62Å; E264-R298 PolarHBondContact OE1-NH1 3.3Å
265	G	97.5	Very high	98	Very high	15 Å²	15	42 Å²	42	16%	0.155	23%	0.234	C	C	.	.			trans	99.5	-166.1	-169.5	0	0	0	0	0	111	M237 L260 G263 Y283	M237-G265 VanDerWaalsContact CE-O 3.28Å; M237-G265 WeakPolarHBondContact CE-O 3.41Å; L260-G265 WeakPolarHBondContact CD2-O 3.22Å; G263-G265 VanDerWaalsContact C-N 3.34Å; G265-Y283 CarbonylContact C-O 3.01Å; G265-Y283 WeakPolarHBondContact CA-O 3.36Å
266	V	98.6	Very high	98	Very high	14 Å²	14	38.9 Å²	38.9	9%	0.085	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	133.1	177.6	-174.2	0	0	0	0	109.1	W3 S234 M237 D268 C282 Y283	W3-V266 HydrophobicContact CE3-CB 4.37Å; W3-V266 HydrophobicContact CE3-CG2 3.96Å; W3-V266 HydrophobicContact CH2-CB 3.74Å; W3-V266 HydrophobicContact CH2-CG1 3.59Å; W3-V266 HydrophobicContact CH2-CG2 4.24Å; W3-V266 HydrophobicContact CZ3-CB 3.48Å; W3-V266 VanDerWaalsContact CZ3-CB 3.48Å; W3-V266 HydrophobicContact CZ3-CG1 3.45Å; W3-V266 VanDerWaalsContact CZ3-CG1 3.45Å; W3-V266 HydrophobicContact CZ3-CG2 3.46Å; W3-V266 VanDerWaalsContact CZ3-CG2 3.46Å; S234-V266 VanDerWaalsContact O-CG1 3.27Å; S234-V266 WeakPolarHBondContact O-CG1 3.41Å; M237-V266 HydrophobicContact CE-CG2 4.42Å; M237-V266 HydrophobicContact SD-CB 4.32Å; M237-V266 HydrophobicContact SD-CG1 3.88Å; M237-V266 HydrophobicContact SD-CG2 4.08Å; V266-D268 PolarHBondContact O-N 3.23Å; V266-C282 CarbonylContact O-C 3.49Å; V266-C282 WeakPolarHBondContact O-CA 3.36Å; V266-Y283 PolarHBondContact N-O 2.8Å; V266-Y283 PolarHBondContact O-N 3.4Å
267	P	98.8	Very high	98	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	133.3	178.9	30.2	-33.8	0	0	0	110.1	I232 S234 L260 V280	I232-P267 HydrophobicContact CD1-CB 4.08Å; I232-P267 HydrophobicContact CG1-CB 4.34Å; I232-P267 HydrophobicContact CG2-CB 3.76Å; I232-P267 HydrophobicContact CG2-CG 3.81Å; I232-P267 WeakPolarHBondContact CG2-O 3.47Å; S234-P267 VanDerWaalsContact CB-O 3.23Å; S234-P267 WeakPolarHBondContact CB-O 3.5Å; S234-P267 PolarHBondContact OG-O 3.18Å; L260-P267 HydrophobicContact CD1-CB 3.65Å; L260-P267 HydrophobicContact CD1-CG 3.65Å; L260-P267 HydrophobicContact CD2-CB 3.92Å; L260-P267 HydrophobicContact CD2-CG 4.14Å; L260-P267 HydrophobicContact CG-CB 4.42Å; L260-P267 HydrophobicContact CG-CG 4.48Å; P267-V280 HydrophobicContact CB-CG1 4.01Å
268	D	98.9	Very high	98	Very high	8 Å²	8	38.4 Å²	38.4	4%	0.043	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	-120.8	-175.1	-155.6	-2.1	0	0	0	108.5	N218 G219 I232 V266 A281 Y283 T310	N218-D268 PolarHBondContact ND2-OD1 2.74Å; N218-D268 PolarHBondContact OD1-OD1 2.81Å; G219-D268 WeakPolarHBondContact CA-O 3.33Å; G219-D268 PolarHBondContact N-O 3.33Å; I232-D268 WeakPolarHBondContact CD1-O 3.46Å; V266-D268 PolarHBondContact O-N 3.23Å; D268-A281 PolarHBondContact N-O 3.06Å; D268-Y283 WeakPolarHBondContact OD2-CD2 3.28Å; D268-T310 WeakPolarHBondContact CB-O 3.29Å; D268-T310 WeakPolarHBondContact OD2-CA 3.33Å
269	G	98.9	Very high	98	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	155.4	173.5	0	0	0	0	0	114.9	A281 T310 S311	G269-A281 PolarHBondContact O-N 2.81Å; G269-T310 WeakPolarHBondContact CA-O 3.28Å; G269-T310 PolarHBondContact N-O 2.69Å; G269-S311 WeakPolarHBondContact CA-OG 3.44Å
270	M	98.9	Very high	98	Very high	1 Å²	1	29 Å²	29	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	151.5	-174.9	174.8	171	59.7	0	0	113.3	K172 F230 I232 V239 L278 W279 V280	K172-M270 PolarHBondContact NZ-O 2.8Å; F230-M270 HydrophobicContact CB-CE 3.56Å; I232-M270 HydrophobicContact CD1-CB 3.83Å; I232-M270 HydrophobicContact CD1-CE 3.87Å; I232-M270 HydrophobicContact CD1-SD 4.05Å; I232-M270 HydrophobicContact CG1-CE 4.08Å; V239-M270 HydrophobicContact CG1-CE 3.74Å; V239-M270 HydrophobicContact CG1-SD 3.79Å; V239-M270 HydrophobicContact CG2-SD 4.46Å; M270-L278 HydrophobicContact CG-CB 4.48Å; M270-L278 HydrophobicContact CG-CD2 4.39Å; M270-L278 HydrophobicContact SD-CB 3.9Å; M270-L278 HydrophobicContact SD-CD1 3.99Å; M270-L278 HydrophobicContact SD-CD2 3.67Å; M270-L278 HydrophobicContact SD-CG 4.06Å; M270-W279 CarbonylContact C-O 3.54Å; M270-W279 WeakPolarHBondContact CA-O 3.3Å; M270-W279 WeakPolarHBondContact CG-O 3.44Å; M270-V280 HydrophobicContact CB-CG2 4.24Å; M270-V280 HydrophobicContact CG-CG2 3.85Å; M270-V280 HydrophobicContact SD-CG2 3.56Å; M270-V280 VanDerWaalsContact SD-CG2 3.56Å
271	T	98.9	Very high	98	Very high	14 Å²	14	28.1 Å²	28.1	9%	0.086	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	157.1	167.8	-166.7	0	0	0	0	113.1	D221 W279 F314 L322	D221-T271 WeakPolarHBondContact OD2-CA 3.07Å; D221-T271 PolarHBondContact OD2-OG1 2.9Å; D221-T271 VanDerWaalsContact OD2-OG1 3.13Å; T271-W279 HydrophobicContact CG2-CB 4.02Å; T271-W279 PolarHBondContact N-O 2.81Å; T271-W279 PolarHBondContact O-N 3.02Å; T271-F314 HydrophobicContact CG2-CD2 3.81Å; T271-F314 HydrophobicContact CG2-CE2 4.05Å; T271-L322 HydrophobicContact CG2-CD1 4.16Å
272	L	98.6	Very high	98.2	Very high	4 Å²	4	25.6 Å²	25.6	2%	0.021	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	144.9	167.8	-91.6	82.2	0	0	0	112.4	D221 T223 F230 R277 L278	D221-L272 HydrophobicContact CB-CD1 3.48Å; D221-L272 VanDerWaalsContact CB-CD1 3.48Å; D221-L272 PolarHBondContact OD2-N 2.85Å; T223-L272 HydrophobicContact CG2-CD2 4.42Å; F230-L272 HydrophobicContact CD2-CD1 3.79Å; F230-L272 HydrophobicContact CE2-CD1 4.19Å; F230-L272 HydrophobicContact CE2-CD2 4.2Å; L272-R277 CarbonylContact C-O 3.56Å; L272-R277 VanDerWaalsContact CA-O 3.3Å; L272-R277 WeakPolarHBondContact CA-O 3.22Å; L272-L278 HydrophobicContact CD1-CD2 3.38Å; L272-L278 HydrophobicContact CG-CD2 3.86Å
273	D	98.7	Very high	98.3	Very high	0 Å²	0	19 Å²	19	0%	0	13%	0.128	C	C	.	.			trans	-84.9	172.8	159.4	72.7	22.9	0	0	0	112.5	N275 G276 R277 W279 F314 V353 K354 Q356	D273-N275 PolarHBondContact O-N 2.85Å; D273-N275 VanDerWaalsContact OD1-CA 3.3Å; D273-N275 WeakPolarHBondContact OD1-CA 3.41Å; D273-N275 WeakPolarHBondContact OD1-CB 3.36Å; D273-N275 PolarHBondContact OD1-N 2.86Å; D273-G276 PolarHBondContact O-N 3.13Å; D273-G276 VanDerWaalsContact O-N 3.1Å; D273-G276 PolarHBondContact OD1-N 2.88Å; D273-G276 VanDerWaalsContact OD1-N 3.1Å; D273-R277 PolarHBondContact N-O 2.88Å; D273-R277 PolarHBondContact OD1-N 3.22Å; D273-R277 WeakPolarHBondContact OD2-CB 3.41Å; D273-W279 PolarHBondContact OD2-NE1 3.4Å; D273-W279 VanDerWaalsContact OD2-NE1 3.1Å; D273-F314 HydrophobicContact CB-CE2 3.78Å; D273-F314 HydrophobicContact CB-CZ 3.98Å; D273-V353 HydrophobicContact CB-CG2 4.36Å; D273-K354 WeakPolarHBondContact CB-O 3.25Å; D273-Q356 PolarHBondContact O-NE2 2.82Å
274	A	97.8	Very high	98.5	Very high	57 Å²	57	19 Å²	19	47%	0.471	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-16.5	178.8	0	0	0	0	0	113.7	G276 K354 Q356	A274-G276 VanDerWaalsContact C-N 3.35Å; A274-K354 VanDerWaalsContact CB-O 3.31Å; A274-K354 WeakPolarHBondContact CB-O 3.3Å; A274-K354 PolarHBondContact N-O 2.84Å; A274-Q356 HydrophobicContact CB-CG 4.47Å
275	N	97.8	Very high	98.6	Very high	113 Å²	113	19.1 Å²	19.1	60%	0.604	12%	0.118	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.4	5.2	176.7	-63.3	-40.2	0	0	0	112.5	D273 R277	D273-N275 PolarHBondContact O-N 2.85Å; D273-N275 VanDerWaalsContact OD1-CA 3.3Å; D273-N275 WeakPolarHBondContact OD1-CA 3.41Å; D273-N275 WeakPolarHBondContact OD1-CB 3.36Å; D273-N275 PolarHBondContact OD1-N 2.86Å; N275-R277 HydrophobicContact CB-CG 4.31Å
276	G	98.1	Very high	98.6	Very high	27 Å²	27	18.8 Å²	18.8	28%	0.278	11%	0.114	S	C	.	.	S	Bend	trans	75.9	21.6	-179.1	0	0	0	0	0	114	D273 A274 P293	D273-G276 PolarHBondContact O-N 3.13Å; D273-G276 VanDerWaalsContact O-N 3.1Å; D273-G276 PolarHBondContact OD1-N 2.88Å; D273-G276 VanDerWaalsContact OD1-N 3.1Å; A274-G276 VanDerWaalsContact C-N 3.35Å; G276-P293 WeakPolarHBondContact O-CD 3.18Å; G276-P293 WeakPolarHBondContact O-CG 3.46Å
277	R	98.7	Very high	98.6	Very high	69 Å²	69	21.1 Å²	21.1	26%	0.26	12%	0.121	S	C	.	.			trans	-92.3	147.8	174.1	-45	-52	-166.2	178	18.3	110.8	L272 D273 N275 N290 D292 L299	L272-R277 CarbonylContact C-O 3.56Å; L272-R277 VanDerWaalsContact CA-O 3.3Å; L272-R277 WeakPolarHBondContact CA-O 3.22Å; D273-R277 PolarHBondContact N-O 2.88Å; D273-R277 PolarHBondContact OD1-N 3.22Å; D273-R277 WeakPolarHBondContact OD2-CB 3.41Å; N275-R277 HydrophobicContact CB-CG 4.31Å; R277-N290 WeakPolarHBondContact CB-OD1 3.2Å; R277-D292 VanDerWaalsContact CZ-CG 3.42Å; R277-D292 IonicContact CZ-OD1 3.53Å; R277-D292 IonicContact CZ-OD2 2.71Å; R277-D292 IonicContact NH1-OD1 2.97Å; R277-D292 PolarHBondContact NH1-OD1 2.85Å; R277-D292 IonicContact NH1-OD2 3.66Å; R277-D292 PolarHBondContact NH1-OD2 2.77Å; R277-D292 VanDerWaalsContact NH1-OD2 3.15Å; R277-D292 IonicContact NH2-OD2 3.01Å; R277-D292 PolarHBondContact NH2-OD2 3.34Å; R277-L299 HydrophobicContact CG-CD1 4.16Å
278	L	98.9	Very high	98.6	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	128.9	-178.6	-58.4	172	0	0	0	110	F230 V239 V257 M270 L272 V280 N290 I291 P293	F230-L278 HydrophobicContact CB-CD2 4.17Å; F230-L278 HydrophobicContact CD1-CD1 3.99Å; F230-L278 HydrophobicContact CD1-CD2 4.29Å; F230-L278 HydrophobicContact CD2-CD2 3.61Å; F230-L278 HydrophobicContact CE1-CD1 4.23Å; F230-L278 HydrophobicContact CE2-CD2 3.95Å; F230-L278 HydrophobicContact CG-CD1 4.25Å; F230-L278 HydrophobicContact CG-CD2 3.76Å; F230-L278 HydrophobicContact CZ-CD2 4.44Å; V239-L278 HydrophobicContact CG1-CD1 3.92Å; V257-L278 HydrophobicContact CG2-CD1 4.26Å; M270-L278 HydrophobicContact CG-CB 4.48Å; M270-L278 HydrophobicContact CG-CD2 4.39Å; M270-L278 HydrophobicContact SD-CB 3.9Å; M270-L278 HydrophobicContact SD-CD1 3.99Å; M270-L278 HydrophobicContact SD-CD2 3.67Å; M270-L278 HydrophobicContact SD-CG 4.06Å; L272-L278 HydrophobicContact CD1-CD2 3.38Å; L272-L278 HydrophobicContact CG-CD2 3.86Å; L278-V280 HydrophobicContact CB-CG2 4.29Å; L278-N290 CarbonylContact O-C 3.51Å; L278-N290 VanDerWaalsContact O-CA 3.31Å; L278-N290 WeakPolarHBondContact O-CA 3.47Å; L278-I291 HydrophobicContact CB-CB 4.27Å; L278-I291 PolarHBondContact N-O 2.81Å; L278-I291 PolarHBondContact O-N 2.93Å; L278-P293 HydrophobicContact CD1-CB 3.82Å; L278-P293 HydrophobicContact CD1-CG 4.31Å; L278-P293 HydrophobicContact CG-CB 4.26Å; L278-P293 HydrophobicContact CG-CG 4.19Å
279	W	98.9	Very high	98.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	111	170.1	-68.9	79.9	0	0	0	108.3	M270 T271 D273 V288 L289 N290 V302 C312 F314 L322 L351 V353	M270-W279 CarbonylContact C-O 3.54Å; M270-W279 WeakPolarHBondContact CA-O 3.3Å; M270-W279 WeakPolarHBondContact CG-O 3.44Å; T271-W279 HydrophobicContact CG2-CB 4.02Å; T271-W279 PolarHBondContact N-O 2.81Å; T271-W279 PolarHBondContact O-N 3.02Å; D273-W279 PolarHBondContact OD2-NE1 3.4Å; D273-W279 VanDerWaalsContact OD2-NE1 3.1Å; W279-V288 HydrophobicContact CB-CG1 4.11Å; W279-V288 HydrophobicContact CE3-CG1 3.85Å; W279-L289 CarbonylContact C-O 3.59Å; W279-L289 VanDerWaalsContact CA-O 3.27Å; W279-L289 WeakPolarHBondContact CA-O 3.42Å; W279-N290 HydrophobicContact CD2-CB 4.16Å; W279-N290 HydrophobicContact CE3-CB 4.16Å; W279-N290 HydrophobicContact CH2-CB 3.83Å; W279-N290 HydrophobicContact CZ2-CB 3.83Å; W279-N290 WeakPolarHBondContact CZ2-ND2 3.19Å; W279-N290 HydrophobicContact CZ3-CB 4.01Å; W279-V302 HydrophobicContact CZ3-CG2 3.92Å; W279-C312 PolarHBondContact O-SG 3.35Å; W279-C312 VanDerWaalsContact O-SG 3.36Å; W279-F314 AromaticContact CD1-CE2 3.57Å; W279-F314 AromaticContact CD1-CZ 3.81Å; W279-F314 HydrophobicContact CD2-CE2 4.48Å; W279-F314 HydrophobicContact CD2-CZ 4.17Å; W279-F314 AromaticContact CE2-CZ 3.85Å; W279-F314 AromaticContact CG-CE2 3.98Å; W279-F314 HydrophobicContact CG-CE2 3.98Å; W279-F314 HydrophobicContact CG-CZ 4.14Å; W279-F314 HydrophobicContact CZ2-CZ 4.46Å; W279-F314 AromaticContact NE1-CE2 3.85Å; W279-F314 AromaticContact NE1-CZ 3.62Å; W279-L322 HydrophobicContact CD2-CD2 4.26Å; W279-L322 HydrophobicContact CE3-CD2 3.63Å; W279-L322 HydrophobicContact CZ3-CD2 4.16Å; W279-L351 HydrophobicContact CH2-CB 4.31Å; W279-L351 HydrophobicContact CH2-CD1 3.78Å; W279-L351 HydrophobicContact CH2-CD2 3.79Å; W279-L351 HydrophobicContact CH2-CG 4.17Å; W279-L351 HydrophobicContact CZ2-CD1 4.26Å; W279-L351 HydrophobicContact CZ3-CD1 3.91Å; W279-L351 HydrophobicContact CZ3-CD2 4.05Å; W279-V353 HydrophobicContact CZ2-CG2 3.65Å
280	V	99	Very high	98.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	118.4	-171.8	-179.4	0	0	0	0	109.8	I232 V239 P267 M270 L278 V288 L289 I291	I232-V280 HydrophobicContact CD1-CG1 3.97Å; I232-V280 HydrophobicContact CD1-CG2 4.49Å; V239-V280 HydrophobicContact CG2-CG2 4.06Å; P267-V280 HydrophobicContact CB-CG1 4.01Å; M270-V280 HydrophobicContact CB-CG2 4.24Å; M270-V280 HydrophobicContact CG-CG2 3.85Å; M270-V280 HydrophobicContact SD-CG2 3.56Å; M270-V280 VanDerWaalsContact SD-CG2 3.56Å; L278-V280 HydrophobicContact CB-CG2 4.29Å; V280-V288 CarbonylContact O-C 3.42Å; V280-V288 VanDerWaalsContact O-CA 3.28Å; V280-V288 WeakPolarHBondContact O-CA 3.31Å; V280-V288 WeakPolarHBondContact O-CG1 3.28Å; V280-L289 PolarHBondContact N-O 3.4Å; V280-L289 PolarHBondContact O-N 2.83Å; V280-I291 HydrophobicContact CB-CD1 4.28Å; V280-I291 HydrophobicContact CG2-CD1 3.87Å
281	A	98.9	Very high	98.6	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	139.8	169.8	0	0	0	0	0	110	D268 G269 V288 T310	D268-A281 PolarHBondContact N-O 3.06Å; G269-A281 PolarHBondContact O-N 2.81Å; A281-V288 HydrophobicContact CB-CG2 4.46Å; A281-T310 WeakPolarHBondContact CB-O 3.16Å
282	C	98.9	Very high	98.6	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	102.7	-178.5	-57.1	0	0	0	0	111	E264 V266 G285 R287 T309	E264-C282 WeakPolarHBondContact O-CB 3.34Å; V266-C282 CarbonylContact O-C 3.49Å; V266-C282 WeakPolarHBondContact O-CA 3.36Å; C282-G285 WeakPolarHBondContact O-CA 3.41Å; C282-G285 PolarHBondContact O-N 3.12Å; C282-R287 HydrophobicContact CB-CG 3.87Å; C282-R287 PolarHBondContact N-O 2.99Å; C282-T309 CarbonylContact C-O 3.53Å; C282-T309 PolarHBondContact O-OG1 2.83Å
283	Y	98.8	Very high	98.6	Very high	12 Å²	12	21.9 Å²	21.9	5%	0.047	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	139.1	175.6	-168.2	-80.3	0	0	0	110.5	W3 G265 V266 D268 G285 K308 T309 T310 A327	W3-Y283 HydrophobicContact CB-CE1 4.09Å; W3-Y283 AromaticContact CD1-CD1 3.87Å; W3-Y283 AromaticContact CD1-CE1 3.03Å; W3-Y283 AromaticContact CD1-CZ 3.19Å; W3-Y283 AromaticContact CD2-CD1 3.46Å; W3-Y283 HydrophobicContact CD2-CD1 3.46Å; W3-Y283 VanDerWaalsContact CD2-CD1 3.46Å; W3-Y283 AromaticContact CD2-CE1 3.43Å; W3-Y283 HydrophobicContact CD2-CE1 3.43Å; W3-Y283 VanDerWaalsContact CD2-CE1 3.43Å; W3-Y283 HydrophobicContact CD2-CG 4.32Å; W3-Y283 AromaticContact CE2-CD1 3.24Å; W3-Y283 AromaticContact CE2-CE1 3.28Å; W3-Y283 AromaticContact CE2-CG 3.68Å; W3-Y283 AromaticContact CE2-CZ 3.69Å; W3-Y283 HydrophobicContact CE3-CD1 4.06Å; W3-Y283 HydrophobicContact CE3-CE1 4.4Å; W3-Y283 AromaticContact CG-CD1 3.81Å; W3-Y283 HydrophobicContact CG-CD1 3.81Å; W3-Y283 AromaticContact CG-CE1 3.24Å; W3-Y283 HydrophobicContact CG-CE1 3.24Å; W3-Y283 AromaticContact CG-CZ 3.91Å; W3-Y283 HydrophobicContact CH2-CD1 4.18Å; W3-Y283 HydrophobicContact CH2-CG 4.23Å; W3-Y283 AromaticContact CZ2-CD1 3.59Å; W3-Y283 HydrophobicContact CZ2-CD1 3.59Å; W3-Y283 HydrophobicContact CZ2-CD2 4.02Å; W3-Y283 HydrophobicContact CZ2-CE1 4.08Å; W3-Y283 HydrophobicContact CZ2-CE2 4.43Å; W3-Y283 AromaticContact CZ2-CG 3.57Å; W3-Y283 HydrophobicContact CZ2-CG 3.57Å; W3-Y283 HydrophobicContact CZ3-CD1 4.43Å; W3-Y283 AromaticContact NE1-CD1 3.54Å; W3-Y283 AromaticContact NE1-CE1 3.04Å; W3-Y283 AromaticContact NE1-CE2 3.55Å; W3-Y283 AromaticContact NE1-CZ 3.02Å; W3-Y283 PolarHBondContact NE1-OH 3.29Å; G265-Y283 CarbonylContact C-O 3.01Å; G265-Y283 WeakPolarHBondContact CA-O 3.36Å; V266-Y283 PolarHBondContact N-O 2.8Å; V266-Y283 PolarHBondContact O-N 3.4Å; D268-Y283 WeakPolarHBondContact OD2-CD2 3.28Å; Y283-G285 PolarHBondContact O-N 3.09Å; Y283-K308 HydrophobicContact CD2-CB 4.24Å; Y283-K308 HydrophobicContact CE1-CB 4.49Å; Y283-K308 HydrophobicContact CE1-CD 4.32Å; Y283-K308 HydrophobicContact CE1-CG 3.94Å; Y283-K308 VanDerWaalsContact CE1-NZ 3.35Å; Y283-K308 HydrophobicContact CE2-CB 3.77Å; Y283-K308 HydrophobicContact CE2-CD 4.3Å; Y283-K308 HydrophobicContact CE2-CG 4.03Å; Y283-K308 VanDerWaalsContact OH-CD 3.25Å; Y283-K308 WeakPolarHBondContact OH-CD 3.49Å; Y283-K308 WeakPolarHBondContact OH-CE 3.43Å; Y283-K308 PolarHBondContact OH-NZ 2.78Å; Y283-T309 VanDerWaalsContact CA-O 3.27Å; Y283-T309 WeakPolarHBondContact CA-O 3.41Å; Y283-T309 PolarHBondContact N-O 2.88Å; Y283-T309 VanDerWaalsContact N-O 3.13Å; Y283-T310 HydrophobicContact CD2-CG2 4.01Å; Y283-T310 HydrophobicContact CE2-CG2 4.24Å; Y283-A327 HydrophobicContact CE2-CB 4.22Å
284	D	98.2	Very high	98.6	Very high	58 Å²	58	26.2 Å²	26.2	31%	0.31	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	8.4	-170.4	-73	-26.2	0	0	0	115.4	T307 K308	D284-T307 CarbonylContact C-O 3.57Å; D284-T307 VanDerWaalsContact C-O 3.25Å; D284-T307 WeakPolarHBondContact CA-O 3.4Å; D284-T307 PolarHBondContact N-O 2.98Å; D284-T307 VanDerWaalsContact N-O 3.11Å; D284-T307 WeakPolarHBondContact O-CG2 3.44Å; D284-K308 WeakPolarHBondContact OD1-CG 3.3Å; D284-K308 IonicContact OD1-NZ 3.56Å; D284-K308 PolarHBondContact OD1-NZ 3.48Å; D284-K308 IonicContact OD2-NZ 3.74Å
285	G	98.1	Very high	98.6	Very high	10 Å²	10	27.3 Å²	27.3	10%	0.103	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-18.8	178.8	0	0	0	0	0	115	E264 C282 Y283 R287 T307	E264-G285 WeakPolarHBondContact O-CA 3.43Å; C282-G285 WeakPolarHBondContact O-CA 3.41Å; C282-G285 PolarHBondContact O-N 3.12Å; Y283-G285 PolarHBondContact O-N 3.09Å; G285-R287 PolarHBondContact O-N 3.43Å; G285-R287 PolarHBondContact O-NE 2.92Å; G285-R287 PolarHBondContact O-NH2 3.17Å; G285-R287 VanDerWaalsContact O-NH2 3.15Å; G285-T307 PolarHBondContact N-O 2.9Å; G285-T307 VanDerWaalsContact N-O 3.09Å
286	G	98.6	Very high	98.6	Very high	8 Å²	8	23.4 Å²	23.4	8%	0.082	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	41.5	-177.2	0	0	0	0	0	114.1	L304 A306 T307	G286-L304 PolarHBondContact O-N 2.89Å; G286-A306 WeakPolarHBondContact CA-O 3.28Å; G286-T307 WeakPolarHBondContact CA-O 3.35Å; G286-T307 PolarHBondContact N-O 2.78Å
287	R	98.8	Very high	98.6	Very high	63 Å²	63	28.7 Å²	28.7	24%	0.238	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	162.1	-172.3	68.5	-166.8	68	-176.3	6.9	113.8	G263 C282 G285 L289 T301 V302 T309	G263-R287 PolarHBondContact O-NH2 3.27Å; C282-R287 HydrophobicContact CB-CG 3.87Å; C282-R287 PolarHBondContact N-O 2.99Å; G285-R287 PolarHBondContact O-N 3.43Å; G285-R287 PolarHBondContact O-NE 2.92Å; G285-R287 PolarHBondContact O-NH2 3.17Å; G285-R287 VanDerWaalsContact O-NH2 3.15Å; R287-L289 HydrophobicContact CG-CD2 4.06Å; R287-T301 HydrophobicContact CB-CG2 3.96Å; R287-T301 HydrophobicContact CG-CG2 4.42Å; R287-V302 CarbonylContact C-O 3.5Å; R287-V302 WeakPolarHBondContact CA-O 3.5Å; R287-V302 VanDerWaalsContact CB-O 3.26Å; R287-V302 WeakPolarHBondContact CB-O 3.26Å; R287-T309 PolarHBondContact N-OG1 3.45Å; R287-T309 PolarHBondContact O-OG1 3.47Å; R287-T309 VanDerWaalsContact O-OG1 3.12Å
288	V	98.9	Very high	98.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	135.8	159.9	-177.2	0	0	0	0	108.7	W279 V280 A281 V302 L304 L322 V324	W279-V288 HydrophobicContact CB-CG1 4.11Å; W279-V288 HydrophobicContact CE3-CG1 3.85Å; V280-V288 CarbonylContact O-C 3.42Å; V280-V288 VanDerWaalsContact O-CA 3.28Å; V280-V288 WeakPolarHBondContact O-CA 3.31Å; V280-V288 WeakPolarHBondContact O-CG1 3.28Å; A281-V288 HydrophobicContact CB-CG2 4.46Å; V288-V302 PolarHBondContact N-O 2.83Å; V288-V302 PolarHBondContact O-N 2.81Å; V288-L304 HydrophobicContact CG2-CD1 4.02Å; V288-L322 HydrophobicContact CG1-CD2 4.18Å; V288-V324 HydrophobicContact CG2-CB 4.45Å; V288-V324 HydrophobicContact CG2-CG1 3.69Å; V288-V324 HydrophobicContact CG2-CG2 3.82Å
289	L	98.9	Very high	98.6	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	135	175.4	-54	-177.3	0	0	0	110.2	Y258 E264 W279 V280 R287 I291 T301	Y258-L289 HydrophobicContact CE1-CD1 4.16Å; E264-L289 HydrophobicContact CB-CD1 4.42Å; E264-L289 HydrophobicContact CG-CD1 4.49Å; W279-L289 CarbonylContact C-O 3.59Å; W279-L289 VanDerWaalsContact CA-O 3.27Å; W279-L289 WeakPolarHBondContact CA-O 3.42Å; V280-L289 PolarHBondContact N-O 3.4Å; V280-L289 PolarHBondContact O-N 2.83Å; R287-L289 HydrophobicContact CG-CD2 4.06Å; L289-I291 HydrophobicContact CB-CD1 3.99Å; L289-I291 HydrophobicContact CB-CG1 4.07Å; L289-I291 HydrophobicContact CD1-CD1 4.37Å; L289-T301 HydrophobicContact CD2-CG2 4.05Å
290	N	98.8	Very high	98.5	Very high	9 Å²	9	37.9 Å²	37.9	5%	0.048	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	120.5	163.7	-177.5	-6.1	0	0	0	108.4	R277 L278 W279 L299 Q300	R277-N290 WeakPolarHBondContact CB-OD1 3.2Å; L278-N290 CarbonylContact O-C 3.51Å; L278-N290 VanDerWaalsContact O-CA 3.31Å; L278-N290 WeakPolarHBondContact O-CA 3.47Å; W279-N290 HydrophobicContact CD2-CB 4.16Å; W279-N290 HydrophobicContact CE3-CB 4.16Å; W279-N290 HydrophobicContact CH2-CB 3.83Å; W279-N290 HydrophobicContact CZ2-CB 3.83Å; W279-N290 WeakPolarHBondContact CZ2-ND2 3.19Å; W279-N290 HydrophobicContact CZ3-CB 4.01Å; N290-L299 PolarHBondContact O-N 3.36Å; N290-Q300 HydrophobicContact CB-CB 3.85Å; N290-Q300 PolarHBondContact N-O 3.35Å; N290-Q300 PolarHBondContact O-N 3.35Å
291	I	98.9	Very high	98.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	135.3	-173.1	-64.8	157.2	0	0	0	109.8	Y258 L278 V280 L289 P293	Y258-I291 HydrophobicContact CD1-CD1 3.48Å; Y258-I291 VanDerWaalsContact CD1-CD1 3.48Å; Y258-I291 HydrophobicContact CD1-CG1 4.3Å; Y258-I291 HydrophobicContact CD2-CD1 4.16Å; Y258-I291 HydrophobicContact CD2-CG1 4.13Å; Y258-I291 HydrophobicContact CD2-CG2 3.65Å; Y258-I291 HydrophobicContact CE1-CD1 3.67Å; Y258-I291 HydrophobicContact CE1-CG1 4.31Å; Y258-I291 HydrophobicContact CE2-CD1 4.32Å; Y258-I291 HydrophobicContact CE2-CG1 4.13Å; Y258-I291 HydrophobicContact CE2-CG2 4.35Å; Y258-I291 HydrophobicContact CG-CD1 3.75Å; Y258-I291 HydrophobicContact CG-CG1 4.22Å; Y258-I291 HydrophobicContact CG-CG2 3.86Å; L278-I291 HydrophobicContact CB-CB 4.27Å; L278-I291 PolarHBondContact N-O 2.81Å; L278-I291 PolarHBondContact O-N 2.93Å; V280-I291 HydrophobicContact CB-CD1 4.28Å; V280-I291 HydrophobicContact CG2-CD1 3.87Å; L289-I291 HydrophobicContact CB-CD1 3.99Å; L289-I291 HydrophobicContact CB-CG1 4.07Å; L289-I291 HydrophobicContact CD1-CD1 4.37Å; I291-P293 VanDerWaalsContact O-CD 3.22Å; I291-P293 WeakPolarHBondContact O-CD 3.44Å
292	D	98.7	Very high	98.5	Very high	12 Å²	12	40.5 Å²	40.5	6%	0.064	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	106.8	166.8	-178.8	-13.9	0	0	0	109.8	R277 A294 T295 G296 K297 L299	R277-D292 VanDerWaalsContact CZ-CG 3.42Å; R277-D292 IonicContact CZ-OD1 3.53Å; R277-D292 IonicContact CZ-OD2 2.71Å; R277-D292 IonicContact NH1-OD1 2.97Å; R277-D292 PolarHBondContact NH1-OD1 2.85Å; R277-D292 IonicContact NH1-OD2 3.66Å; R277-D292 PolarHBondContact NH1-OD2 2.77Å; R277-D292 VanDerWaalsContact NH1-OD2 3.15Å; R277-D292 IonicContact NH2-OD2 3.01Å; R277-D292 PolarHBondContact NH2-OD2 3.34Å; D292-A294 PolarHBondContact O-N 3.34Å; D292-A294 WeakPolarHBondContact OD1-CA 3.24Å; D292-A294 WeakPolarHBondContact OD1-CB 3.48Å; D292-A294 PolarHBondContact OD1-N 3.27Å; D292-T295 WeakPolarHBondContact CB-OG1 3.29Å; D292-T295 PolarHBondContact O-N 3.02Å; D292-T295 PolarHBondContact OD1-N 2.98Å; D292-T295 WeakPolarHBondContact OD2-CG2 3.49Å; D292-T295 PolarHBondContact OD2-OG1 3.11Å; D292-G296 WeakPolarHBondContact O-CA 3.46Å; D292-G296 PolarHBondContact O-N 3.14Å; D292-K297 PolarHBondContact N-O 3.17Å; D292-K297 PolarHBondContact O-N 3.02Å; D292-L299 HydrophobicContact CB-CD1 4.04Å; D292-L299 HydrophobicContact CB-CD2 4.07Å; D292-L299 HydrophobicContact CB-CG 4.05Å
293	P	98.4	Very high	98.5	Very high	22 Å²	22	44.6 Å²	44.6	14%	0.143	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-20.1	-179.8	27.9	-34.4	0	0	0	113.6	F230 V257 G276 L278 I291	F230-P293 HydrophobicContact CE1-CB 3.51Å; F230-P293 HydrophobicContact CE1-CG 4.23Å; F230-P293 HydrophobicContact CZ-CB 3.58Å; F230-P293 HydrophobicContact CZ-CG 3.77Å; V257-P293 HydrophobicContact CB-CB 4.36Å; V257-P293 HydrophobicContact CG2-CB 4.35Å; G276-P293 WeakPolarHBondContact O-CD 3.18Å; G276-P293 WeakPolarHBondContact O-CG 3.46Å; L278-P293 HydrophobicContact CD1-CB 3.82Å; L278-P293 HydrophobicContact CD1-CG 4.31Å; L278-P293 HydrophobicContact CG-CB 4.26Å; L278-P293 HydrophobicContact CG-CG 4.19Å; I291-P293 VanDerWaalsContact O-CD 3.22Å; I291-P293 WeakPolarHBondContact O-CD 3.44Å
294	A	97.9	Very high	98.5	Very high	90 Å²	90	44.8 Å²	44.8	74%	0.744	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-34.1	179.7	0	0	0	0	0	111.9	D292	D292-A294 PolarHBondContact O-N 3.34Å; D292-A294 WeakPolarHBondContact OD1-CA 3.24Å; D292-A294 WeakPolarHBondContact OD1-CB 3.48Å; D292-A294 PolarHBondContact OD1-N 3.27Å
295	T	98.3	Very high	98.5	Very high	81 Å²	81	44.9 Å²	44.9	50%	0.497	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-12.5	179.5	65.8	0	0	0	0	113.7	D292 K297	D292-T295 WeakPolarHBondContact CB-OG1 3.29Å; D292-T295 PolarHBondContact O-N 3.02Å; D292-T295 PolarHBondContact OD1-N 2.98Å; D292-T295 WeakPolarHBondContact OD2-CG2 3.49Å; D292-T295 PolarHBondContact OD2-OG1 3.11Å; T295-K297 PolarHBondContact O-N 2.97Å
296	G	97.7	Very high	98.4	Very high	30 Å²	30	44.4 Å²	44.4	31%	0.309	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.5	22.6	-174.5	0	0	0	0	0	113.6	V257 Y258 D292	V257-G296 WeakPolarHBondContact O-CA 3.41Å; Y258-G296 WeakPolarHBondContact CD2-O 3.39Å; D292-G296 WeakPolarHBondContact O-CA 3.46Å; D292-G296 PolarHBondContact O-N 3.14Å
297	K	98.3	Very high	98.4	Very high	139 Å²	139	46.6 Å²	46.6	60%	0.604	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.2	137.5	-177.8	-67	-176.6	178.2	180	0	111.1	D292 T295 L299	D292-K297 PolarHBondContact N-O 3.17Å; D292-K297 PolarHBondContact O-N 3.02Å; T295-K297 PolarHBondContact O-N 2.97Å; K297-L299 PolarHBondContact O-N 3.28Å
298	R	98.6	Very high	98.4	Very high	113 Å²	113	44.3 Å²	44.3	43%	0.426	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	126.6	163	179.8	-179.3	64.3	-161.7	-8.7	109.6	Y258 E264 T301	Y258-R298 HydrophobicContact CE2-CB 4.21Å; E264-R298 IonicContact OE1-CZ 3.41Å; E264-R298 IonicContact OE1-NE 3.99Å; E264-R298 IonicContact OE1-NH1 2.62Å; E264-R298 PolarHBondContact OE1-NH1 3.3Å; R298-T301 WeakPolarHBondContact CD-OG1 3.31Å
299	L	98.4	Very high	98.4	Very high	89 Å²	89	44.3 Å²	44.3	47%	0.466	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	-39.2	178.1	-58.5	-178.9	0	0	0	112	R277 N290 D292 K297	R277-L299 HydrophobicContact CG-CD1 4.16Å; N290-L299 PolarHBondContact O-N 3.36Å; D292-L299 HydrophobicContact CB-CD1 4.04Å; D292-L299 HydrophobicContact CB-CD2 4.07Å; D292-L299 HydrophobicContact CB-CG 4.05Å; K297-L299 PolarHBondContact O-N 3.28Å
300	Q	98.1	Very high	98.4	Very high	60 Å²	60	44.4 Å²	44.4	28%	0.28	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	155.1	-175.5	-170.4	-179.4	-12	0	0	111	N290	N290-Q300 HydrophobicContact CB-CB 3.85Å; N290-Q300 PolarHBondContact N-O 3.35Å; N290-Q300 PolarHBondContact O-N 3.35Å
301	T	98.6	Very high	98.4	Very high	50 Å²	50	44.2 Å²	44.2	31%	0.307	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	130.7	167.9	-59.2	0	0	0	0	108.5	R287 L289 R298	R287-T301 HydrophobicContact CB-CG2 3.96Å; R287-T301 HydrophobicContact CG-CG2 4.42Å; L289-T301 HydrophobicContact CD2-CG2 4.05Å; R298-T301 WeakPolarHBondContact CD-OG1 3.31Å
302	V	98.7	Very high	98.4	Very high	5 Å²	5	44.3 Å²	44.3	3%	0.03	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	119.2	168.4	179.4	0	0	0	0	107.8	V70 V72 W279 R287 V288 L304 V348 L351	V70-V302 HydrophobicContact CG1-CG1 4.22Å; V70-V302 HydrophobicContact CG1-CG2 4.4Å; V72-V302 HydrophobicContact CG2-CG1 4.03Å; W279-V302 HydrophobicContact CZ3-CG2 3.92Å; R287-V302 CarbonylContact C-O 3.5Å; R287-V302 WeakPolarHBondContact CA-O 3.5Å; R287-V302 VanDerWaalsContact CB-O 3.26Å; R287-V302 WeakPolarHBondContact CB-O 3.26Å; V288-V302 PolarHBondContact N-O 2.83Å; V288-V302 PolarHBondContact O-N 2.81Å; V302-L304 HydrophobicContact CG1-CD1 4.26Å; V302-L304 WeakPolarHBondContact O-CD1 3.37Å; V302-V348 HydrophobicContact CG1-CG1 3.87Å; V302-V348 HydrophobicContact CG1-CG2 4.21Å; V302-L351 HydrophobicContact CG2-CD2 3.82Å
303	S	98.5	Very high	98.4	Very high	85 Å²	85	44 Å²	44	59%	0.594	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.3	141.8	176.1	-63.1	0	0	0	0	111.3
304	L	98.6	Very high	98.5	Very high	17 Å²	17	43.1 Å²	43.1	9%	0.089	25%	0.25	C	S	.	.			trans	-122.5	149.3	179.4	-73.2	92.3	0	0	0	111.1	V72 G286 V288 V302 A306 T309 V324 F346	V72-L304 HydrophobicContact CG1-CG 4.3Å; G286-L304 PolarHBondContact O-N 2.89Å; V288-L304 HydrophobicContact CG2-CD1 4.02Å; V302-L304 HydrophobicContact CG1-CD1 4.26Å; V302-L304 WeakPolarHBondContact O-CD1 3.37Å; L304-A306 PolarHBondContact O-N 3.19Å; L304-T309 HydrophobicContact CB-CG2 3.81Å; L304-T309 HydrophobicContact CD1-CG2 4.08Å; L304-T309 HydrophobicContact CD2-CG2 3.89Å; L304-T309 HydrophobicContact CG-CG2 4.13Å; L304-V324 HydrophobicContact CD2-CB 3.63Å; L304-V324 HydrophobicContact CD2-CG1 3.51Å; L304-V324 HydrophobicContact CD2-CG2 4.09Å; L304-F346 HydrophobicContact CD2-CB 3.93Å; L304-F346 HydrophobicContact CD2-CD2 3.77Å; L304-F346 HydrophobicContact CD2-CG 3.94Å
305	P	97.9	Very high	98.5	Very high	59 Å²	59	38.9 Å²	38.9	38%	0.383	22%	0.215	S	C	.	.	S	Bend	trans	-80.7	34	-179.9	36.6	-38	0	0	0	112.9	F346	P305-F346 HydrophobicContact CG-CD1 4.15Å; P305-F346 HydrophobicContact CG-CE1 3.42Å; P305-F346 VanDerWaalsContact CG-CE1 3.42Å; P305-F346 HydrophobicContact CG-CZ 3.89Å
306	A	98.1	Very high	98.5	Very high	1 Å²	1	35 Å²	35	1%	0.008	19%	0.191	C	C	.	.			trans	-149.7	124.1	174.4	0	0	0	0	0	108.1	G286 L304 K308 F346	G286-A306 WeakPolarHBondContact CA-O 3.28Å; L304-A306 PolarHBondContact O-N 3.19Å; A306-K308 VanDerWaalsContact C-N 3.31Å; A306-K308 PolarHBondContact O-N 2.91Å; A306-F346 HydrophobicContact CB-CE2 3.86Å; A306-F346 HydrophobicContact CB-CZ 3.96Å
307	T	98.3	Very high	98.3	Very high	54 Å²	54	37.6 Å²	37.6	33%	0.331	20%	0.203	S	C	.	.	S	Bend	trans	-70.7	-29.6	-172.8	-52.3	0	0	0	0	111.8	D284 G285 G286 T309 Q339	D284-T307 CarbonylContact C-O 3.57Å; D284-T307 VanDerWaalsContact C-O 3.25Å; D284-T307 WeakPolarHBondContact CA-O 3.4Å; D284-T307 PolarHBondContact N-O 2.98Å; D284-T307 VanDerWaalsContact N-O 3.11Å; D284-T307 WeakPolarHBondContact O-CG2 3.44Å; G285-T307 PolarHBondContact N-O 2.9Å; G285-T307 VanDerWaalsContact N-O 3.09Å; G286-T307 WeakPolarHBondContact CA-O 3.35Å; G286-T307 PolarHBondContact N-O 2.78Å; T307-T309 PolarHBondContact O-N 3.46Å; T307-Q339 VanDerWaalsContact OG1-CD 3.23Å; T307-Q339 PolarHBondContact OG1-NE2 2.77Å; T307-Q339 PolarHBondContact OG1-OE1 2.89Å
308	K	98.6	Very high	98.2	Very high	15 Å²	15	35.8 Å²	35.8	7%	0.065	20%	0.2	C	C	.	.			trans	-96.7	62	-177.1	-64.6	175.2	174.5	-53.3	0	111.4	Y283 D284 A306 S326 A327 L331	Y283-K308 HydrophobicContact CD2-CB 4.24Å; Y283-K308 HydrophobicContact CE1-CB 4.49Å; Y283-K308 HydrophobicContact CE1-CD 4.32Å; Y283-K308 HydrophobicContact CE1-CG 3.94Å; Y283-K308 VanDerWaalsContact CE1-NZ 3.35Å; Y283-K308 HydrophobicContact CE2-CB 3.77Å; Y283-K308 HydrophobicContact CE2-CD 4.3Å; Y283-K308 HydrophobicContact CE2-CG 4.03Å; Y283-K308 VanDerWaalsContact OH-CD 3.25Å; Y283-K308 WeakPolarHBondContact OH-CD 3.49Å; Y283-K308 WeakPolarHBondContact OH-CE 3.43Å; Y283-K308 PolarHBondContact OH-NZ 2.78Å; D284-K308 WeakPolarHBondContact OD1-CG 3.3Å; D284-K308 IonicContact OD1-NZ 3.56Å; D284-K308 PolarHBondContact OD1-NZ 3.48Å; D284-K308 IonicContact OD2-NZ 3.74Å; A306-K308 VanDerWaalsContact C-N 3.31Å; A306-K308 PolarHBondContact O-N 2.91Å; K308-S326 CarbonylContact O-C 3.46Å; K308-S326 WeakPolarHBondContact O-CA 3.48Å; K308-S326 VanDerWaalsContact O-CB 3.31Å; K308-S326 WeakPolarHBondContact O-CB 3.34Å; K308-A327 HydrophobicContact CB-CB 4.01Å; K308-A327 WeakPolarHBondContact CB-O 3.43Å; K308-A327 PolarHBondContact O-N 2.93Å; K308-L331 HydrophobicContact CD-CD2 3.97Å; K308-L331 HydrophobicContact CD-CG 4Å; K308-L331 VanDerWaalsContact CE-CD2 3.46Å
309	T	98.8	Very high	98.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	126.5	172.1	39.9	0	0	0	0	110.2	C282 Y283 R287 L304 T307 V324	C282-T309 CarbonylContact C-O 3.53Å; C282-T309 PolarHBondContact O-OG1 2.83Å; Y283-T309 VanDerWaalsContact CA-O 3.27Å; Y283-T309 WeakPolarHBondContact CA-O 3.41Å; Y283-T309 PolarHBondContact N-O 2.88Å; Y283-T309 VanDerWaalsContact N-O 3.13Å; R287-T309 PolarHBondContact N-OG1 3.45Å; R287-T309 PolarHBondContact O-OG1 3.47Å; R287-T309 VanDerWaalsContact O-OG1 3.12Å; L304-T309 HydrophobicContact CB-CG2 3.81Å; L304-T309 HydrophobicContact CD1-CG2 4.08Å; L304-T309 HydrophobicContact CD2-CG2 3.89Å; L304-T309 HydrophobicContact CG-CG2 4.13Å; T307-T309 PolarHBondContact O-N 3.46Å; T309-V324 HydrophobicContact CG2-CG1 4.2Å
310	T	98.9	Very high	98.1	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.006	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	-48.1	-165.6	46.2	0	0	0	0	113.2	I82 G83 E84 D268 G269 A281 Y283 T325 S326 A327	I82-T310 HydrophobicContact CG2-CG2 4.35Å; G83-T310 VanDerWaalsContact O-CB 3.29Å; G83-T310 WeakPolarHBondContact O-CB 3.48Å; G83-T310 PolarHBondContact O-OG1 2.84Å; E84-T310 WeakPolarHBondContact OE1-CB 3.33Å; D268-T310 WeakPolarHBondContact CB-O 3.29Å; D268-T310 WeakPolarHBondContact OD2-CA 3.33Å; G269-T310 WeakPolarHBondContact CA-O 3.28Å; G269-T310 PolarHBondContact N-O 2.69Å; A281-T310 WeakPolarHBondContact CB-O 3.16Å; Y283-T310 HydrophobicContact CD2-CG2 4.01Å; Y283-T310 HydrophobicContact CE2-CG2 4.24Å; T310-T325 PolarHBondContact N-O 2.66Å; T310-T325 WeakPolarHBondContact OG1-CB 3.39Å; T310-T325 PolarHBondContact OG1-O 2.89Å; T310-T325 VanDerWaalsContact OG1-O 3.12Å; T310-T325 PolarHBondContact OG1-OG1 2.76Å; T310-S326 PolarHBondContact OG1-N 2.86Å; T310-A327 HydrophobicContact CG2-CB 3.89Å
311	S	98.9	Very high	98.2	Very high	6 Å²	6	27.2 Å²	27.2	4%	0.042	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	171.1	-178.6	-171.7	0	0	0	0	111.4	E84 P86 G269 V324 T325	E84-S311 WeakPolarHBondContact OE2-CB 3.4Å; P86-S311 WeakPolarHBondContact CD-OG 3.42Å; G269-S311 WeakPolarHBondContact CA-OG 3.44Å; S311-V324 CarbonylContact O-C 3.52Å; S311-V324 WeakPolarHBondContact O-CA 3.3Å; S311-V324 WeakPolarHBondContact O-CG1 3.4Å; S311-T325 PolarHBondContact N-OG1 2.85Å; S311-T325 VanDerWaalsContact N-OG1 3.17Å; S311-T325 PolarHBondContact O-N 2.87Å; S311-T325 PolarHBondContact O-OG1 2.79Å
312	C	98.9	Very high	98.2	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.014	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	149.4	178.3	63.3	0	0	0	0	113.4	W279 L322 Y323 V324	W279-C312 PolarHBondContact O-SG 3.35Å; W279-C312 VanDerWaalsContact O-SG 3.36Å; C312-L322 HydrophobicContact CB-CD1 3.94Å; C312-L322 HydrophobicContact CB-CD2 4.5Å; C312-L322 HydrophobicContact CB-CG 4.23Å; C312-Y323 CarbonylContact C-O 3.52Å; C312-Y323 WeakPolarHBondContact CA-O 3.32Å; C312-Y323 VanDerWaalsContact CB-O 3.27Å; C312-Y323 WeakPolarHBondContact CB-O 3.25Å; C312-V324 HydrophobicContact CB-CB 4.47Å; C312-V324 HydrophobicContact CB-CG1 4.47Å; C312-V324 HydrophobicContact CB-CG2 4.01Å
313	C	98.9	Very high	98.2	Very high	6 Å²	6	24.7 Å²	24.7	4%	0.041	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	152.5	171.5	80.9	0	0	0	0	110	P86 Y323	P86-C313 HydrophobicContact CB-CB 4.31Å; P86-C313 HydrophobicContact CG-CB 4.24Å; P86-C313 VanDerWaalsContact O-CB 3.26Å; P86-C313 WeakPolarHBondContact O-CB 3.25Å; C313-Y323 PolarHBondContact N-O 3.26Å; C313-Y323 PolarHBondContact O-N 2.84Å
314	F	98.9	Very high	98.2	Very high	3 Å²	3	20.6 Å²	20.6	1%	0.013	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	148.8	169.1	-76.8	-84.6	0	0	0	111.4	W88 T271 D273 W279 Y319 D321 L322 L351 V353 G355	W88-F314 WeakPolarHBondContact CB-O 3.13Å; T271-F314 HydrophobicContact CG2-CD2 3.81Å; T271-F314 HydrophobicContact CG2-CE2 4.05Å; D273-F314 HydrophobicContact CB-CE2 3.78Å; D273-F314 HydrophobicContact CB-CZ 3.98Å; W279-F314 AromaticContact CD1-CE2 3.57Å; W279-F314 AromaticContact CD1-CZ 3.81Å; W279-F314 HydrophobicContact CD2-CE2 4.48Å; W279-F314 HydrophobicContact CD2-CZ 4.17Å; W279-F314 AromaticContact CE2-CZ 3.85Å; W279-F314 AromaticContact CG-CE2 3.98Å; W279-F314 HydrophobicContact CG-CE2 3.98Å; W279-F314 HydrophobicContact CG-CZ 4.14Å; W279-F314 HydrophobicContact CZ2-CZ 4.46Å; W279-F314 AromaticContact NE1-CE2 3.85Å; W279-F314 AromaticContact NE1-CZ 3.62Å; F314-Y319 WeakPolarHBondContact CD1-O 2.96Å; F314-D321 CarbonylContact C-O 3.55Å; F314-D321 VanDerWaalsContact CA-O 3.29Å; F314-D321 WeakPolarHBondContact CA-O 3.47Å; F314-L322 HydrophobicContact CD1-CB 4.21Å; F314-L322 HydrophobicContact CD1-CD1 4.22Å; F314-L322 HydrophobicContact CD2-CD1 3.95Å; F314-L322 HydrophobicContact CE1-CB 4.06Å; F314-L322 HydrophobicContact CE1-CD1 4.17Å; F314-L322 HydrophobicContact CE2-CD1 3.88Å; F314-L322 HydrophobicContact CG-CD1 4.12Å; F314-L322 HydrophobicContact CZ-CD1 4Å; F314-L351 HydrophobicContact CE1-CD1 4.2Å; F314-V353 HydrophobicContact CE1-CG2 4.24Å; F314-V353 HydrophobicContact CZ-CG2 4.03Å; F314-G355 VanDerWaalsContact CB-CA 3.48Å; F314-G355 VanDerWaalsContact CD2-CA 3.47Å
315	G	98.6	Very high	98.2	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.2	-156.1	179.1	0	0	0	0	0	112.1	Y319 S320 D321	G315-Y319 CarbonylContact O-C 3.58Å; G315-Y319 VanDerWaalsContact O-C 3.25Å; G315-Y319 WeakPolarHBondContact O-CA 3.31Å; G315-S320 PolarHBondContact O-N 3.18Å; G315-D321 PolarHBondContact N-O 3.4Å; G315-D321 PolarHBondContact O-N 2.86Å
316	G	97.7	Very high	98.3	Very high	1 Å²	1	17 Å²	17	1%	0.01	10%	0.1	C	C	.	.	S	Bend	trans	69.5	-176.1	-170.1	0	0	0	0	0	112.1	W88 D318 Y319	W88-G316 VanDerWaalsContact CZ2-CA 3.44Å; G316-D318 PolarHBondContact O-N 3.23Å; G316-Y319 PolarHBondContact O-N 3.12Å
317	P	94.5	Very high	98.3	Very high	84 Å²	84	17 Å²	17	55%	0.545	10%	0.1	S	C	.	.	G	3₁₀ helix	trans	-55.4	131.5	171.4	-25	35.4	0	0	0	111	Y319 S320	P317-Y319 PolarHBondContact O-N 2.93Å; P317-Y319 VanDerWaalsContact O-N 3.11Å; P317-S320 PolarHBondContact O-N 3Å; P317-S320 PolarHBondContact O-OG 2.86Å
318	D	95.1	Very high	98.3	Very high	101 Å²	101	15.5 Å²	15.5	54%	0.54	9%	0.092	S	C	.	.	G	3₁₀ helix	trans	54.4	23	-177.9	-62.4	-8.8	0	0	0	115.8	G316 S320 K354	G316-D318 PolarHBondContact O-N 3.23Å; D318-S320 PolarHBondContact O-N 2.82Å; D318-S320 VanDerWaalsContact O-N 3.16Å; D318-K354 HydrophobicContact CB-CD 4.22Å; D318-K354 WeakPolarHBondContact O-CD 3.5Å; D318-K354 IonicContact OD2-NZ 2.84Å; D318-K354 PolarHBondContact OD2-NZ 2.69Å
319	Y	98.3	Very high	98.2	Very high	20 Å²	20	18.3 Å²	18.3	8%	0.078	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	56.6	31.3	-178.9	-59.7	-89.7	0	0	0	113.4	W88 E90 F314 G315 G316 P317 K354 G355 P357	W88-Y319 AromaticContact CD1-CE1 3.53Å; W88-Y319 HydrophobicContact CG-CE1 4.39Å; E90-Y319 WeakPolarHBondContact CB-OH 3.38Å; E90-Y319 PolarHBondContact OE2-OH 2.85Å; F314-Y319 WeakPolarHBondContact CD1-O 2.96Å; G315-Y319 CarbonylContact O-C 3.58Å; G315-Y319 VanDerWaalsContact O-C 3.25Å; G315-Y319 WeakPolarHBondContact O-CA 3.31Å; G316-Y319 PolarHBondContact O-N 3.12Å; P317-Y319 PolarHBondContact O-N 2.93Å; P317-Y319 VanDerWaalsContact O-N 3.11Å; Y319-K354 CarbonylContact O-C 3.58Å; Y319-K354 WeakPolarHBondContact O-CA 3.38Å; Y319-G355 PolarHBondContact O-N 3.47Å; Y319-P357 HydrophobicContact CE1-CB 4.41Å; Y319-P357 HydrophobicContact CE2-CB 4.34Å; Y319-P357 HydrophobicContact CE2-CG 3.77Å; Y319-P357 VanDerWaalsContact CZ-CA 3.47Å; Y319-P357 WeakPolarHBondContact OH-CA 3.23Å; Y319-P357 WeakPolarHBondContact OH-CB 3.22Å
320	S	98.1	Very high	98	Very high	43 Å²	43	20.9 Å²	20.9	30%	0.301	13%	0.133	S	C	.	.			trans	-89	-11.6	-174.8	58.4	0	0	0	0	114.4	G315 P317 D318	G315-S320 PolarHBondContact O-N 3.18Å; P317-S320 PolarHBondContact O-N 3Å; P317-S320 PolarHBondContact O-OG 2.86Å; D318-S320 PolarHBondContact O-N 2.82Å; D318-S320 VanDerWaalsContact O-N 3.16Å
321	D	98.6	Very high	97.9	Very high	19 Å²	19	21.9 Å²	21.9	10%	0.102	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	135.6	178.1	-65.1	-19	0	0	0	109.7	F314 G315 Y323 R347 T349	F314-D321 CarbonylContact C-O 3.55Å; F314-D321 VanDerWaalsContact CA-O 3.29Å; F314-D321 WeakPolarHBondContact CA-O 3.47Å; G315-D321 PolarHBondContact N-O 3.4Å; G315-D321 PolarHBondContact O-N 2.86Å; D321-Y323 HydrophobicContact CB-CE2 4.15Å; D321-R347 HydrophobicContact CB-CG 4Å; D321-R347 WeakPolarHBondContact OD2-CD 3.42Å; D321-T349 WeakPolarHBondContact OD1-CG2 3.46Å
322	L	98.9	Very high	97.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	116.4	170.7	-178.5	76.6	0	0	0	109.2	T271 W279 V288 C312 F314 V324 V348 L351	T271-L322 HydrophobicContact CG2-CD1 4.16Å; W279-L322 HydrophobicContact CD2-CD2 4.26Å; W279-L322 HydrophobicContact CE3-CD2 3.63Å; W279-L322 HydrophobicContact CZ3-CD2 4.16Å; V288-L322 HydrophobicContact CG1-CD2 4.18Å; C312-L322 HydrophobicContact CB-CD1 3.94Å; C312-L322 HydrophobicContact CB-CD2 4.5Å; C312-L322 HydrophobicContact CB-CG 4.23Å; F314-L322 HydrophobicContact CD1-CB 4.21Å; F314-L322 HydrophobicContact CD1-CD1 4.22Å; F314-L322 HydrophobicContact CD2-CD1 3.95Å; F314-L322 HydrophobicContact CE1-CB 4.06Å; F314-L322 HydrophobicContact CE1-CD1 4.17Å; F314-L322 HydrophobicContact CE2-CD1 3.88Å; F314-L322 HydrophobicContact CG-CD1 4.12Å; F314-L322 HydrophobicContact CZ-CD1 4Å; L322-V324 HydrophobicContact CD2-CG2 4.08Å; L322-V324 HydrophobicContact CG-CG2 4.08Å; L322-V348 HydrophobicContact CB-CB 4.22Å; L322-V348 PolarHBondContact N-O 3.32Å; L322-V348 PolarHBondContact O-N 2.83Å; L322-L351 HydrophobicContact CB-CD1 3.59Å; L322-L351 HydrophobicContact CD2-CD1 4.01Å; L322-L351 HydrophobicContact CG-CD1 4.42Å
323	Y	98.9	Very high	97.6	Very high	1 Å²	1	32 Å²	32	0%	0.004	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	135.6	171.7	-67.8	-83.6	0	0	0	110	V75 W88 L95 W108 C312 C313 D321 F346 R347	V75-Y323 HydrophobicContact CG2-CD1 4.24Å; V75-Y323 HydrophobicContact CG2-CE1 4.16Å; W88-Y323 HydrophobicContact CE3-CD2 4.34Å; W88-Y323 AromaticContact CE3-CE2 3.84Å; W88-Y323 HydrophobicContact CE3-CE2 3.84Å; W88-Y323 HydrophobicContact CH2-CE2 4.4Å; W88-Y323 AromaticContact CZ3-CE2 3.78Å; W88-Y323 HydrophobicContact CZ3-CE2 3.78Å; W88-Y323 AromaticContact CZ3-CZ 3.87Å; L95-Y323 HydrophobicContact CD1-CD2 4.1Å; L95-Y323 HydrophobicContact CD1-CG 3.94Å; L95-Y323 HydrophobicContact CD2-CD1 3.88Å; L95-Y323 HydrophobicContact CD2-CG 4Å; W108-Y323 HydrophobicContact CH2-CE1 4.07Å; W108-Y323 HydrophobicContact CZ3-CD1 4.39Å; W108-Y323 AromaticContact CZ3-CE1 3.54Å; W108-Y323 HydrophobicContact CZ3-CE1 3.54Å; C312-Y323 CarbonylContact C-O 3.52Å; C312-Y323 WeakPolarHBondContact CA-O 3.32Å; C312-Y323 VanDerWaalsContact CB-O 3.27Å; C312-Y323 WeakPolarHBondContact CB-O 3.25Å; C313-Y323 PolarHBondContact N-O 3.26Å; C313-Y323 PolarHBondContact O-N 2.84Å; D321-Y323 HydrophobicContact CB-CE2 4.15Å; Y323-F346 CarbonylContact C-O 3.56Å; Y323-F346 VanDerWaalsContact CA-O 3.27Å; Y323-F346 WeakPolarHBondContact CA-O 3.42Å; Y323-R347 HydrophobicContact CD1-CB 4.14Å; Y323-R347 HydrophobicContact CD1-CG 4.44Å; Y323-R347 HydrophobicContact CE1-CB 3.94Å; Y323-R347 HydrophobicContact CE1-CG 4Å
324	V	98.9	Very high	97.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	121.7	-175.8	-171.4	0	0	0	0	109.5	V288 L304 T309 S311 C312 L322 T345 F346 V348	V288-V324 HydrophobicContact CG2-CB 4.45Å; V288-V324 HydrophobicContact CG2-CG1 3.69Å; V288-V324 HydrophobicContact CG2-CG2 3.82Å; L304-V324 HydrophobicContact CD2-CB 3.63Å; L304-V324 HydrophobicContact CD2-CG1 3.51Å; L304-V324 HydrophobicContact CD2-CG2 4.09Å; T309-V324 HydrophobicContact CG2-CG1 4.2Å; S311-V324 CarbonylContact O-C 3.52Å; S311-V324 WeakPolarHBondContact O-CA 3.3Å; S311-V324 WeakPolarHBondContact O-CG1 3.4Å; C312-V324 HydrophobicContact CB-CB 4.47Å; C312-V324 HydrophobicContact CB-CG1 4.47Å; C312-V324 HydrophobicContact CB-CG2 4.01Å; L322-V324 HydrophobicContact CD2-CG2 4.08Å; L322-V324 HydrophobicContact CG-CG2 4.08Å; V324-T345 WeakPolarHBondContact O-CA 3.27Å; V324-F346 PolarHBondContact N-O 2.97Å; V324-F346 PolarHBondContact O-N 3.28Å; V324-V348 HydrophobicContact CG2-CG2 4.02Å
325	T	98.9	Very high	97.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	159	175.5	51.2	0	0	0	0	111.1	G83 P86 F97 T310 S311 T345	G83-T325 WeakPolarHBondContact O-CB 3.17Å; G83-T325 PolarHBondContact O-OG1 2.73Å; P86-T325 HydrophobicContact CB-CG2 4.01Å; P86-T325 HydrophobicContact CG-CG2 4.09Å; F97-T325 HydrophobicContact CB-CG2 4.33Å; T310-T325 PolarHBondContact N-O 2.66Å; T310-T325 WeakPolarHBondContact OG1-CB 3.39Å; T310-T325 PolarHBondContact OG1-O 2.89Å; T310-T325 VanDerWaalsContact OG1-O 3.12Å; T310-T325 PolarHBondContact OG1-OG1 2.76Å; S311-T325 PolarHBondContact N-OG1 2.85Å; S311-T325 VanDerWaalsContact N-OG1 3.17Å; S311-T325 PolarHBondContact O-N 2.87Å; S311-T325 PolarHBondContact O-OG1 2.79Å; T325-T345 HydrophobicContact CG2-CG2 4.14Å
326	S	98.9	Very high	97.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	171	173.9	72.2	0	0	0	0	112.1	G83 K308 T310 G343 N344	G83-S326 WeakPolarHBondContact CA-O 3.4Å; G83-S326 PolarHBondContact N-O 3.47Å; G83-S326 VanDerWaalsContact N-O 3.11Å; K308-S326 CarbonylContact O-C 3.46Å; K308-S326 WeakPolarHBondContact O-CA 3.48Å; K308-S326 VanDerWaalsContact O-CB 3.31Å; K308-S326 WeakPolarHBondContact O-CB 3.34Å; T310-S326 PolarHBondContact OG1-N 2.86Å; S326-G343 WeakPolarHBondContact O-CA 3.46Å; S326-G343 WeakPolarHBondContact OG-CA 3.45Å; S326-G343 PolarHBondContact OG-N 2.69Å; S326-N344 PolarHBondContact N-O 3.39Å; S326-N344 PolarHBondContact OG-N 3.01Å; S326-N344 PolarHBondContact OG-O 2.78Å
327	A	98.7	Very high	97.3	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.008	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-119.8	144.9	-179.8	0	0	0	0	0	112.1	Q81 I82 Y283 K308 T310	Q81-A327 WeakPolarHBondContact O-CA 3.45Å; Q81-A327 VanDerWaalsContact O-CB 3.31Å; Q81-A327 WeakPolarHBondContact O-CB 3.21Å; I82-A327 HydrophobicContact CB-CB 4.46Å; I82-A327 HydrophobicContact CG1-CB 4.44Å; I82-A327 HydrophobicContact CG2-CB 4.46Å; Y283-A327 HydrophobicContact CE2-CB 4.22Å; K308-A327 HydrophobicContact CB-CB 4.01Å; K308-A327 WeakPolarHBondContact CB-O 3.43Å; K308-A327 PolarHBondContact O-N 2.93Å; T310-A327 HydrophobicContact CG2-CB 3.89Å
328	S	98.3	Very high	97.5	Very high	23 Å²	23	49.5 Å²	49.5	16%	0.161	27%	0.266	C	S	.	.			trans	-101.2	-22.7	168.9	64.7	0	0	0	0	112.6	H79 A80 Q81 G330 L331	H79-S328 PolarHBondContact O-OG 3.02Å; A80-S328 PolarHBondContact O-N 2.84Å; A80-S328 VanDerWaalsContact O-N 3.08Å; A80-S328 PolarHBondContact O-OG 2.71Å; Q81-S328 PolarHBondContact O-N 2.84Å; Q81-S328 VanDerWaalsContact O-N 3.15Å; S328-G330 PolarHBondContact O-N 2.9Å; S328-L331 WeakPolarHBondContact O-CB 3.47Å; S328-L331 PolarHBondContact O-N 3.44Å
329	L	96.7	Very high	97.6	Very high	74 Å²	74	46 Å²	46	39%	0.387	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	131.5	-174.5	-174.6	67.8	0	0	0	111.9	Q81 I82 A101 L331	Q81-L329 HydrophobicContact CB-CB 4.16Å; Q81-L329 WeakPolarHBondContact O-CB 3.46Å; Q81-L329 PolarHBondContact O-N 2.96Å; I82-L329 HydrophobicContact CD1-CD2 3.96Å; I82-L329 HydrophobicContact CG1-CB 4.15Å; I82-L329 HydrophobicContact CG1-CD2 4.08Å; A101-L329 HydrophobicContact CB-CD2 3.99Å; L329-L331 VanDerWaalsContact C-N 3.35Å
330	G	94.8	Very high	97.5	Very high	53 Å²	53	49.3 Å²	49.3	55%	0.546	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.2	1.8	179	0	0	0	0	0	114.6	S328	S328-G330 PolarHBondContact O-N 2.9Å
331	L	96.2	Very high	97.6	Very high	22 Å²	22	50.5 Å²	50.5	12%	0.115	27%	0.272	C	S	.	.			trans	-80.9	138.5	163.1	-62.1	177.1	0	0	0	109.9	K308 S328 L329 E335 L336 A342	K308-L331 HydrophobicContact CD-CD2 3.97Å; K308-L331 HydrophobicContact CD-CG 4Å; K308-L331 VanDerWaalsContact CE-CD2 3.46Å; S328-L331 WeakPolarHBondContact O-CB 3.47Å; S328-L331 PolarHBondContact O-N 3.44Å; L329-L331 VanDerWaalsContact C-N 3.35Å; L331-E335 VanDerWaalsContact CA-OE2 3.31Å; L331-E335 WeakPolarHBondContact CA-OE2 3.21Å; L331-E335 HydrophobicContact CB-CB 4.03Å; L331-E335 HydrophobicContact CD2-CB 4.02Å; L331-L336 HydrophobicContact CB-CD2 3.95Å; L331-L336 HydrophobicContact CB-CG 3.87Å; L331-L336 HydrophobicContact CD1-CD2 3.9Å; L331-A342 HydrophobicContact CD1-CB 3.45Å; L331-A342 VanDerWaalsContact CD1-CB 3.45Å
332	D	96.4	Very high	97.6	Very high	88 Å²	88	49.7 Å²	49.7	47%	0.471	27%	0.268	S	S	.	.			trans	-79.4	174.2	169.9	75.8	33.9	0	0	0	112.2	S334 E335 L336	D332-S334 VanDerWaalsContact C-N 3.27Å; D332-S334 PolarHBondContact O-N 3.45Å; D332-S334 WeakPolarHBondContact OD1-CA 3.47Å; D332-S334 VanDerWaalsContact OD1-CB 3.28Å; D332-S334 WeakPolarHBondContact OD1-CB 3.34Å; D332-S334 PolarHBondContact OD1-N 3.03Å; D332-E335 PolarHBondContact N-OE2 3.48Å; D332-E335 PolarHBondContact O-N 3.43Å; D332-E335 PolarHBondContact OD1-N 3.26Å; D332-L336 WeakPolarHBondContact O-CG 3.36Å; D332-L336 PolarHBondContact O-N 2.69Å
333	Q	95.8	Very high	97.5	Very high	134 Å²	134	49.8 Å²	49.8	63%	0.626	27%	0.268	S	S	*	.	H	α-helix	trans	-61	-34.4	-178.2	-170.1	62.1	36.2	0	0	113.2	Q337	Q333-Q337 VanDerWaalsContact O-CG 3.28Å; Q333-Q337 WeakPolarHBondContact O-CG 3.47Å; Q333-Q337 PolarHBondContact O-N 3.1Å; Q333-Q337 VanDerWaalsContact O-N 3.12Å
334	S	97.3	Very high	97.5	Very high	53 Å²	53	49.9 Å²	49.9	37%	0.371	27%	0.269	S	S	.	.	H	α-helix	trans	-71.5	-40.1	177.8	-173.7	0	0	0	0	111	D332 Q337 K338	D332-S334 VanDerWaalsContact C-N 3.27Å; D332-S334 PolarHBondContact O-N 3.45Å; D332-S334 WeakPolarHBondContact OD1-CA 3.47Å; D332-S334 VanDerWaalsContact OD1-CB 3.28Å; D332-S334 WeakPolarHBondContact OD1-CB 3.34Å; D332-S334 PolarHBondContact OD1-N 3.03Å; S334-Q337 PolarHBondContact O-N 2.79Å; S334-K338 WeakPolarHBondContact O-CG 3.29Å; S334-K338 PolarHBondContact O-N 3.16Å; S334-K338 VanDerWaalsContact O-N 3.15Å
335	E	97.1	Very high	97.5	Very high	55 Å²	55	50 Å²	50	26%	0.257	27%	0.27	S	S	.	.	H	α-helix	trans	-67	-42.1	176.8	-67.7	176.6	134.8	0	0	111.8	L331 D332 Q337 K338 Q339	L331-E335 VanDerWaalsContact CA-OE2 3.31Å; L331-E335 WeakPolarHBondContact CA-OE2 3.21Å; L331-E335 HydrophobicContact CB-CB 4.03Å; L331-E335 HydrophobicContact CD2-CB 4.02Å; D332-E335 PolarHBondContact N-OE2 3.48Å; D332-E335 PolarHBondContact O-N 3.43Å; D332-E335 PolarHBondContact OD1-N 3.26Å; E335-Q337 VanDerWaalsContact C-N 3.33Å; E335-Q337 PolarHBondContact O-N 2.66Å; E335-K338 PolarHBondContact O-N 2.96Å; E335-K338 VanDerWaalsContact O-N 3.16Å; E335-Q339 WeakPolarHBondContact O-CB 3.33Å; E335-Q339 PolarHBondContact O-N 2.81Å
336	L	96.6	Very high	97.5	Very high	55 Å²	55	50 Å²	50	29%	0.288	27%	0.27	S	S	.	.	H	α-helix	trans	-61.7	-39	174.1	-73	169.9	0	0	0	112	L331 D332 K338 Q339 P340 A342	L331-L336 HydrophobicContact CB-CD2 3.95Å; L331-L336 HydrophobicContact CB-CG 3.87Å; L331-L336 HydrophobicContact CD1-CD2 3.9Å; D332-L336 WeakPolarHBondContact O-CG 3.36Å; D332-L336 PolarHBondContact O-N 2.69Å; L336-K338 VanDerWaalsContact C-N 3.31Å; L336-K338 PolarHBondContact O-N 2.97Å; L336-Q339 CarbonylContact O-C 3.48Å; L336-Q339 PolarHBondContact O-N 2.94Å; L336-P340 WeakPolarHBondContact O-CA 3.44Å; L336-A342 HydrophobicContact CD2-CB 4.3Å
337	Q	96.7	Very high	97.5	Very high	138 Å²	138	53.2 Å²	53.2	65%	0.645	28%	0.282	S	S	*	.	H	α-helix	trans	-63.7	-35.9	174.2	-77.9	175.3	-12.6	0	0	112.7	Q333 S334 E335 Q339	Q333-Q337 VanDerWaalsContact O-CG 3.28Å; Q333-Q337 WeakPolarHBondContact O-CG 3.47Å; Q333-Q337 PolarHBondContact O-N 3.1Å; Q333-Q337 VanDerWaalsContact O-N 3.12Å; S334-Q337 PolarHBondContact O-N 2.79Å; E335-Q337 VanDerWaalsContact C-N 3.33Å; E335-Q337 PolarHBondContact O-N 2.66Å; Q337-Q339 VanDerWaalsContact C-N 3.31Å
338	K	97.8	Very high	97.5	Very high	160 Å²	160	53.1 Å²	53.1	70%	0.696	28%	0.281	S	S	*	.	H	α-helix	trans	-75.4	-22.7	175.7	-69.1	169.5	-174	166.7	0	112.7	S334 E335 L336 P340	S334-K338 WeakPolarHBondContact O-CG 3.29Å; S334-K338 PolarHBondContact O-N 3.16Å; S334-K338 VanDerWaalsContact O-N 3.15Å; E335-K338 PolarHBondContact O-N 2.96Å; E335-K338 VanDerWaalsContact O-N 3.16Å; L336-K338 VanDerWaalsContact C-N 3.31Å; L336-K338 PolarHBondContact O-N 2.97Å; K338-P340 VanDerWaalsContact C-CD 3.5Å
339	Q	97.6	Very high	97.5	Very high	27 Å²	27	53.8 Å²	53.8	13%	0.126	28%	0.284	C	S	.	.			trans	-130.6	65.7	-175.2	-59.7	175	74.6	0	0	110.1	T307 E335 L336 Q337 Q341 A342	T307-Q339 VanDerWaalsContact OG1-CD 3.23Å; T307-Q339 PolarHBondContact OG1-NE2 2.77Å; T307-Q339 PolarHBondContact OG1-OE1 2.89Å; E335-Q339 WeakPolarHBondContact O-CB 3.33Å; E335-Q339 PolarHBondContact O-N 2.81Å; L336-Q339 CarbonylContact O-C 3.48Å; L336-Q339 PolarHBondContact O-N 2.94Å; Q337-Q339 VanDerWaalsContact C-N 3.31Å; Q339-Q341 PolarHBondContact O-N 3.22Å; Q339-A342 HydrophobicContact CB-CB 4.26Å; Q339-A342 WeakPolarHBondContact O-CB 3.42Å; Q339-A342 PolarHBondContact O-N 3.44Å
340	P	97.5	Very high	97.6	Very high	90 Å²	90	51.4 Å²	51.4	58%	0.584	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-10.5	-174	27.1	-36.3	0	0	0	113.6	H79 L336 K338	H79-P340 PolarHBondContact CE1-O 3.47Å; H79-P340 VanDerWaalsContact CE1-O 3.25Å; L336-P340 WeakPolarHBondContact O-CA 3.44Å; K338-P340 VanDerWaalsContact C-CD 3.5Å
341	Q	98.3	Very high	97.7	Very high	68 Å²	68	49.5 Å²	49.5	32%	0.318	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102	8.1	177	-59.3	179.1	-56.4	0	0	113.1	S74 Q339 G343 N344 F346	S74-Q341 VanDerWaalsContact CB-NE2 3.34Å; Q339-Q341 PolarHBondContact O-N 3.22Å; Q341-G343 PolarHBondContact O-N 2.68Å; Q341-N344 WeakPolarHBondContact O-CB 3.39Å; Q341-N344 PolarHBondContact O-N 2.92Å; Q341-F346 HydrophobicContact CB-CE1 3.98Å; Q341-F346 HydrophobicContact CB-CZ 3.78Å; Q341-F346 WeakPolarHBondContact O-CZ 3.23Å
342	A	98.5	Very high	97.7	Very high	2 Å²	2	52.1 Å²	52.1	2%	0.017	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	134.6	174.2	0	0	0	0	0	111	H79 L331 L336 Q339 N344	H79-A342 PolarHBondContact ND1-O 3.18Å; L331-A342 HydrophobicContact CD1-CB 3.45Å; L331-A342 VanDerWaalsContact CD1-CB 3.45Å; L336-A342 HydrophobicContact CD2-CB 4.3Å; Q339-A342 HydrophobicContact CB-CB 4.26Å; Q339-A342 WeakPolarHBondContact O-CB 3.42Å; Q339-A342 PolarHBondContact O-N 3.44Å; A342-N344 VanDerWaalsContact C-N 3.29Å
343	G	98.6	Very high	97.8	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.01	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.1	-3	-173.8	0	0	0	0	0	114.4	A80 S326 Q341	A80-G343 WeakPolarHBondContact CB-O 3.44Å; A80-G343 PolarHBondContact N-O 2.85Å; A80-G343 VanDerWaalsContact O-CA 3.28Å; A80-G343 WeakPolarHBondContact O-CA 3.33Å; S326-G343 WeakPolarHBondContact O-CA 3.46Å; S326-G343 WeakPolarHBondContact OG-CA 3.45Å; S326-G343 PolarHBondContact OG-N 2.69Å; Q341-G343 PolarHBondContact O-N 2.68Å
344	N	98.8	Very high	97.9	Very high	4 Å²	4	47.4 Å²	47.4	2%	0.021	26%	0.262	C	S	.	.			trans	-80.2	160.3	174.8	-67.2	1.5	0	0	0	111.4	S74 V76 H79 S326 Q341 A342 F346	S74-N344 WeakPolarHBondContact OG-CB 3.4Å; S74-N344 PolarHBondContact OG-ND2 3.34Å; V76-N344 WeakPolarHBondContact O-CA 3.47Å; V76-N344 WeakPolarHBondContact O-CB 3.47Å; H79-N344 PolarHBondContact ND1-OD1 2.85Å; S326-N344 PolarHBondContact N-O 3.39Å; S326-N344 PolarHBondContact OG-N 3.01Å; S326-N344 PolarHBondContact OG-O 2.78Å; Q341-N344 WeakPolarHBondContact O-CB 3.39Å; Q341-N344 PolarHBondContact O-N 2.92Å; A342-N344 VanDerWaalsContact C-N 3.29Å; N344-F346 HydrophobicContact CB-CE2 4.3Å; N344-F346 HydrophobicContact CB-CZ 4.1Å; N344-F346 WeakPolarHBondContact O-CE2 3.47Å
345	T	98.9	Very high	97.9	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.012	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	133.9	165.7	-50.4	0	0	0	0	109.4	V75 V76 L95 V324 T325	V75-T345 WeakPolarHBondContact CG2-O 3.36Å; V75-T345 PolarHBondContact N-O 2.62Å; V76-T345 PolarHBondContact N-O 2.88Å; V76-T345 PolarHBondContact O-N 3.49Å; L95-T345 HydrophobicContact CD2-CG2 3.72Å; V324-T345 WeakPolarHBondContact O-CA 3.27Å; T325-T345 HydrophobicContact CG2-CG2 4.14Å
346	F	98.9	Very high	97.9	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	150	-178.3	-57.4	-87.1	0	0	0	110.7	V72 E73 L304 P305 A306 Y323 V324 Q341 N344	V72-F346 HydrophobicContact CG1-CB 4.15Å; V72-F346 HydrophobicContact CG1-CD1 4.11Å; V72-F346 HydrophobicContact CG1-CG 4.38Å; E73-F346 CarbonylContact O-C 3.59Å; E73-F346 WeakPolarHBondContact O-CA 3.37Å; L304-F346 HydrophobicContact CD2-CB 3.93Å; L304-F346 HydrophobicContact CD2-CD2 3.77Å; L304-F346 HydrophobicContact CD2-CG 3.94Å; P305-F346 HydrophobicContact CG-CD1 4.15Å; P305-F346 HydrophobicContact CG-CE1 3.42Å; P305-F346 VanDerWaalsContact CG-CE1 3.42Å; P305-F346 HydrophobicContact CG-CZ 3.89Å; A306-F346 HydrophobicContact CB-CE2 3.86Å; A306-F346 HydrophobicContact CB-CZ 3.96Å; Y323-F346 CarbonylContact C-O 3.56Å; Y323-F346 VanDerWaalsContact CA-O 3.27Å; Y323-F346 WeakPolarHBondContact CA-O 3.42Å; V324-F346 PolarHBondContact N-O 2.97Å; V324-F346 PolarHBondContact O-N 3.28Å; Q341-F346 HydrophobicContact CB-CE1 3.98Å; Q341-F346 HydrophobicContact CB-CZ 3.78Å; Q341-F346 WeakPolarHBondContact O-CZ 3.23Å; N344-F346 HydrophobicContact CB-CE2 4.3Å; N344-F346 HydrophobicContact CB-CZ 4.1Å; N344-F346 WeakPolarHBondContact O-CE2 3.47Å
347	R	98.8	Very high	97.9	Very high	67 Å²	67	47.2 Å²	47.2	25%	0.253	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	129.5	167.5	-179.8	179.9	61.3	178.6	-2.9	108.3	E73 V75 D321 Y323 T349	E73-R347 PolarHBondContact N-O 2.91Å; E73-R347 PolarHBondContact O-N 2.81Å; E73-R347 IonicContact OE2-CZ 2.72Å; E73-R347 IonicContact OE2-NE 3.37Å; E73-R347 IonicContact OE2-NH2 3.15Å; E73-R347 PolarHBondContact OE2-NH2 3.03Å; V75-R347 HydrophobicContact CB-CB 4.47Å; V75-R347 HydrophobicContact CG1-CB 3.58Å; V75-R347 HydrophobicContact CG2-CB 4.01Å; D321-R347 HydrophobicContact CB-CG 4Å; D321-R347 WeakPolarHBondContact OD2-CD 3.42Å; Y323-R347 HydrophobicContact CD1-CB 4.14Å; Y323-R347 HydrophobicContact CD1-CG 4.44Å; Y323-R347 HydrophobicContact CE1-CB 3.94Å; Y323-R347 HydrophobicContact CE1-CG 4Å; R347-T349 HydrophobicContact CG-CG2 3.96Å
348	V	98.8	Very high	97.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	123	176.1	-173.4	0	0	0	0	108.7	V70 K71 V72 V302 L322 V324 L351	V70-V348 HydrophobicContact CG1-CG1 3.62Å; K71-V348 CarbonylContact O-C 3.57Å; K71-V348 VanDerWaalsContact O-CA 3.26Å; K71-V348 WeakPolarHBondContact O-CA 3.15Å; V72-V348 HydrophobicContact CG1-CG2 4.42Å; V72-V348 HydrophobicContact CG2-CG1 4.36Å; V72-V348 HydrophobicContact CG2-CG2 4.16Å; V302-V348 HydrophobicContact CG1-CG1 3.87Å; V302-V348 HydrophobicContact CG1-CG2 4.21Å; L322-V348 HydrophobicContact CB-CB 4.22Å; L322-V348 PolarHBondContact N-O 3.32Å; L322-V348 PolarHBondContact O-N 2.83Å; V324-V348 HydrophobicContact CG2-CG2 4.02Å; V348-L351 HydrophobicContact CG1-CD1 4.19Å; V348-L351 HydrophobicContact CG1-CD2 3.75Å; V348-L351 HydrophobicContact CG1-CG 4.02Å
349	T	98.6	Very high	97.7	Very high	37 Å²	37	37.7 Å²	37.7	23%	0.227	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	163.8	179.1	71.2	0	0	0	0	111	V70 K71 D321 R347	V70-T349 WeakPolarHBondContact CA-O 3.38Å; K71-T349 PolarHBondContact N-O 3.23Å; K71-T349 PolarHBondContact O-N 3.42Å; D321-T349 WeakPolarHBondContact OD1-CG2 3.46Å; R347-T349 HydrophobicContact CG-CG2 3.96Å
350	G	97.4	Very high	97.8	Very high	23 Å²	23	37.5 Å²	37.5	24%	0.237	23%	0.231	C	C	.	.			trans	76.4	26.9	178	0	0	0	0	0	114.4	S68 G352	S68-G350 WeakPolarHBondContact OG-CA 3.1Å; S68-G350 PolarHBondContact OG-O 3.5Å; G350-G352 VanDerWaalsContact C-N 3.29Å
351	L	97.6	Very high	97.8	Very high	14 Å²	14	33.2 Å²	33.2	7%	0.073	20%	0.203	C	C	.	.			trans	-76.2	-14.6	178	-65.1	178.4	0	0	0	113.6	V70 W279 V302 F314 L322 V348 V353	V70-L351 HydrophobicContact CG1-CD2 3.95Å; V70-L351 HydrophobicContact CG2-CD2 4.04Å; W279-L351 HydrophobicContact CH2-CB 4.31Å; W279-L351 HydrophobicContact CH2-CD1 3.78Å; W279-L351 HydrophobicContact CH2-CD2 3.79Å; W279-L351 HydrophobicContact CH2-CG 4.17Å; W279-L351 HydrophobicContact CZ2-CD1 4.26Å; W279-L351 HydrophobicContact CZ3-CD1 3.91Å; W279-L351 HydrophobicContact CZ3-CD2 4.05Å; V302-L351 HydrophobicContact CG2-CD2 3.82Å; F314-L351 HydrophobicContact CE1-CD1 4.2Å; L322-L351 HydrophobicContact CB-CD1 3.59Å; L322-L351 HydrophobicContact CD2-CD1 4.01Å; L322-L351 HydrophobicContact CG-CD1 4.42Å; V348-L351 HydrophobicContact CG1-CD1 4.19Å; V348-L351 HydrophobicContact CG1-CD2 3.75Å; V348-L351 HydrophobicContact CG1-CG 4.02Å; L351-V353 HydrophobicContact CB-CG2 4.06Å; L351-V353 PolarHBondContact O-N 3.06Å
352	G	96.4	Very high	97.8	Very high	77 Å²	77	31.8 Å²	31.8	79%	0.794	20%	0.201	S	C	*	.	S	Bend	trans	69.8	10.8	-177.2	0	0	0	0	0	114.4	G350	G350-G352 VanDerWaalsContact C-N 3.29Å
353	V	97.5	Very high	97.5	Very high	27 Å²	27	32.6 Å²	32.6	16%	0.164	21%	0.209	C	C	.	.			trans	-133.5	160.7	176	-61.8	0	0	0	0	110.1	D273 W279 F314 L351	D273-V353 HydrophobicContact CB-CG2 4.36Å; W279-V353 HydrophobicContact CZ2-CG2 3.65Å; F314-V353 HydrophobicContact CE1-CG2 4.24Å; F314-V353 HydrophobicContact CZ-CG2 4.03Å; L351-V353 HydrophobicContact CB-CG2 4.06Å; L351-V353 PolarHBondContact O-N 3.06Å
354	K	98.3	Very high	97.4	Very high	96 Å²	96	34.2 Å²	34.2	42%	0.417	22%	0.219	S	C	.	.			trans	-117.7	151.9	174.5	-63.2	-179.3	174.9	-165.3	0	109.3	D273 A274 D318 Y319	D273-K354 WeakPolarHBondContact CB-O 3.25Å; A274-K354 VanDerWaalsContact CB-O 3.31Å; A274-K354 WeakPolarHBondContact CB-O 3.3Å; A274-K354 PolarHBondContact N-O 2.84Å; D318-K354 HydrophobicContact CB-CD 4.22Å; D318-K354 WeakPolarHBondContact O-CD 3.5Å; D318-K354 IonicContact OD2-NZ 2.84Å; D318-K354 PolarHBondContact OD2-NZ 2.69Å; Y319-K354 CarbonylContact O-C 3.58Å; Y319-K354 WeakPolarHBondContact O-CA 3.38Å
355	G	98.1	Very high	97.4	Very high	8 Å²	8	35.8 Å²	35.8	8%	0.082	23%	0.23	C	C	.	.			trans	-85.6	-157.5	169.8	0	0	0	0	0	113.8	F314 Y319	F314-G355 VanDerWaalsContact CB-CA 3.48Å; F314-G355 VanDerWaalsContact CD2-CA 3.47Å; Y319-G355 PolarHBondContact O-N 3.47Å
356	Q	95.9	Very high	97.3	Very high	69 Å²	69	37.7 Å²	37.7	32%	0.322	24%	0.242	S	C	.	.			trans	-129.9	156.1	178.8	-55.8	-175.7	32.6	0	0	110.2	D273 A274	D273-Q356 PolarHBondContact O-NE2 2.82Å; A274-Q356 HydrophobicContact CB-CG 4.47Å
357	P	96.1	Very high	97.2	Very high	81 Å²	81	39.9 Å²	39.9	53%	0.526	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-54.7	140.4	171.9	-25.7	34.4	0	0	0	113.3	Y319	Y319-P357 HydrophobicContact CE1-CB 4.41Å; Y319-P357 HydrophobicContact CE2-CB 4.34Å; Y319-P357 HydrophobicContact CE2-CG 3.77Å; Y319-P357 VanDerWaalsContact CZ-CA 3.47Å; Y319-P357 WeakPolarHBondContact OH-CA 3.23Å; Y319-P357 WeakPolarHBondContact OH-CB 3.22Å
358	S	94.8	Very high	97.1	Very high	48 Å²	48	38.2 Å²	38.2	34%	0.336	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-70.8	140.9	172.5	-65.3	0	0	0	0	110.6
359	N	97.4	Very high	97	Very high	51 Å²	51	40.7 Å²	40.7	27%	0.273	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-81	156.6	174.5	-62.1	-56.3	0	0	0	111.3	A173 D174	A173-N359 HydrophobicContact CB-CB 3.96Å; A173-N359 WeakPolarHBondContact O-CB 3.47Å; A173-N359 PolarHBondContact O-ND2 2.98Å; D174-N359 WeakPolarHBondContact O-CB 3.32Å
360	A	98.2	Very high	96.9	Very high	22 Å²	22	41 Å²	41	18%	0.182	28%	0.277	C	S	.	.			trans	-118.2	142.4	175.9	0	0	0	0	0	111.1	P129 R131 G177	P129-A360 HydrophobicContact CB-CB 4.01Å; P129-A360 CarbonylContact O-C 3.53Å; P129-A360 VanDerWaalsContact O-CA 3.22Å; P129-A360 WeakPolarHBondContact O-CA 3.21Å; P129-A360 WeakPolarHBondContact O-CB 3.38Å; R131-A360 HydrophobicContact CG-CB 3.7Å; R131-A360 PolarHBondContact NE-O 3.01Å; G177-A360 WeakPolarHBondContact CA-O 3.3Å
361	F	98.6	Very high	96.8	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-66.3	136.8	174.1	178.8	-120.2	0	0	0	110.9	P129 R130 R131 V136 G177 L179 M201 K202 L205 G363	P129-F361 PolarHBondContact O-N 2.59Å; R130-F361 HydrophobicContact CG-CD1 4.39Å; R131-F361 WeakPolarHBondContact CG-O 3.46Å; R131-F361 PolarHBondContact N-O 3.18Å; V136-F361 HydrophobicContact CB-CD1 4.13Å; V136-F361 HydrophobicContact CG1-CB 3.63Å; V136-F361 HydrophobicContact CG1-CD1 3.85Å; V136-F361 HydrophobicContact CG1-CG 3.95Å; V136-F361 HydrophobicContact CG2-CD1 4.38Å; G177-F361 VanDerWaalsContact O-CD2 3.3Å; G177-F361 WeakPolarHBondContact O-CD2 3.32Å; L179-F361 HydrophobicContact CB-CD2 3.66Å; L179-F361 HydrophobicContact CB-CE2 3.98Å; L179-F361 HydrophobicContact CB-CG 4.27Å; M201-F361 HydrophobicContact CE-CZ 4.32Å; M201-F361 HydrophobicContact CG-CE2 4.4Å; M201-F361 HydrophobicContact CG-CZ 4.14Å; M201-F361 HydrophobicContact SD-CZ 4.32Å; K202-F361 WeakPolarHBondContact O-CZ 3.16Å; L205-F361 HydrophobicContact CD2-CE1 4.2Å; L205-F361 HydrophobicContact CD2-CZ 4.18Å; F361-G363 VanDerWaalsContact CE1-C 3.48Å
362	S	97.8	Very high	96.8	Very high	39 Å²	39	44.8 Å²	44.8	27%	0.273	30%	0.297	S	S	.	.			trans	-96.2	-14.5	-174.2	-57.2	0	0	0	0	115	R131 G177	R131-S362 VanDerWaalsContact CD-OG 3.31Å; R131-S362 WeakPolarHBondContact CD-OG 3.27Å; R131-S362 PolarHBondContact NE-OG 2.93Å; R131-S362 VanDerWaalsContact NE-OG 3.11Å; R131-S362 PolarHBondContact NH1-OG 3.12Å; G177-S362 WeakPolarHBondContact CA-OG 3.18Å; G177-S362 WeakPolarHBondContact O-CB 3.42Å; G177-S362 PolarHBondContact O-N 3.49Å; G177-S362 PolarHBondContact O-OG 2.81Å
363	G	92	Very high	96.8	Very high	19 Å²	19	41.8 Å²	41.8	20%	0.196	25%	0.252	C	S	.	.			trans	-81.2	0	179.6	0	0	0	0	0	113.2	R130 S203 F361	R130-G363 VanDerWaalsContact CZ-O 3.29Å; R130-G363 PolarHBondContact NE-O 3.4Å; R130-G363 VanDerWaalsContact NH2-C 3.26Å; R130-G363 PolarHBondContact NH2-O 3.15Å; R130-G363 VanDerWaalsContact NH2-O 3.1Å; R130-G363 PolarHBondContact NH2-OXT 2.56Å; S203-G363 VanDerWaalsContact CA-CA 3.45Å; S203-G363 WeakPolarHBondContact O-CA 3.48Å; F361-G363 VanDerWaalsContact CE1-C 3.48Å

Retrieved 363 of 363 residues in 173 ms (Link to these results)

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