A0A096NYS6_PAPAN Loading...

DNA polymerase delta subunit 2

AlphaFold DB , UniProt , Accession A0A096NYS6, Species PAPAN (Papio anubis, Olive baboon), Gene POLD2, Length 504 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	35.7	Very low	30.6	Very low	252 Å²	252	140.6 Å²	140.6	100%	1.241	90%	0.897	S	S	*	*				0	116.8	0	-57.1	-165.1	-141.4	0	0	106.2
2	G	32.5	Very low	30.3	Very low	88 Å²	88	140.1 Å²	140.1	91%	0.907	90%	0.898	S	S	*	*			cis	137.8	125.1	23.1	0	0	0	0	0	105.6
3	G	28.7	Very low	30.1	Very low	77 Å²	77	134.9 Å²	134.9	79%	0.794	89%	0.887	S	S	*	*			trans	139.6	68.5	178.2	0	0	0	0	0	112.4
4	A	31.6	Very low	30	Very low	106 Å²	106	131.8 Å²	131.8	88%	0.876	88%	0.877	S	S	*	*				70.6	84.1	86.7	0	0	0	0	0	113.2
5	G	29.6	Very low	29.8	Very low	80 Å²	80	131.7 Å²	131.7	83%	0.825	88%	0.875	S	S	*	*			trans	-88.2	120.1	164.5	0	0	0	0	0	110.4	R7	G5-R7 PolarHBondContact O-N 3.05Å
6	A	31	Very low	29.5	Very low	108 Å²	108	137.8 Å²	137.8	89%	0.893	88%	0.875	S	S	*	*			trans	-75.2	111.9	175.3	0	0	0	0	0	110.5
7	R	30.9	Very low	29.3	Very low	241 Å²	241	138 Å²	138	91%	0.909	87%	0.873	S	S	*	*			trans	-104.4	125.9	161.3	-80	-173.7	-178.2	-171.3	1.2	108.8	G5 L9	G5-R7 PolarHBondContact O-N 3.05Å; R7-L9 PolarHBondContact O-N 3.12Å
8	R	29.2	Very low	29	Very low	251 Å²	251	136.8 Å²	136.8	95%	0.947	86%	0.864	S	S	*	*	P	Polyproline II helix	trans	-62.8	124.3	174.1	-69.9	178.4	-179	-166.1	-0.8	109.5
9	L	29.3	Very low	28.8	Very low	173 Å²	173	138.4 Å²	138.4	91%	0.906	87%	0.865	S	S	*	*	P	Polyproline II helix	trans	-80.7	119.9	165.6	-82.1	156.4	0	0	0	108.3	R7	R7-L9 PolarHBondContact O-N 3.12Å
10	A	30.5	Very low	28.6	Very low	93 Å²	93	139.7 Å²	139.7	77%	0.769	87%	0.865	S	S	*	*	P	Polyproline II helix	trans	-70	128	166.9	0	0	0	0	0	108.5
11	G	27.2	Very low	28.4	Very low	78 Å²	78	136.8 Å²	136.8	80%	0.804	86%	0.862	S	S	*	*	P	Polyproline II helix	trans	-68.3	128.9	177.6	0	0	0	0	0	111.3	G13	G11-G13 PolarHBondContact O-N 3.22Å
12	C	27.8	Very low	28.1	Very low	134 Å²	134	133 Å²	133	91%	0.905	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-60.9	121.4	167.8	-71.3	0	0	0	0	109.9
13	G	27.1	Very low	27.7	Very low	73 Å²	73	132.3 Å²	132.3	75%	0.753	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-73.2	139.9	169	0	0	0	0	0	111	G11	G11-G13 PolarHBondContact O-N 3.22Å
14	A	29.2	Very low	27.7	Very low	91 Å²	91	138.3 Å²	138.3	75%	0.752	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-62	142.6	169	0	0	0	0	0	110.8	R16	A14-R16 PolarHBondContact O-N 2.64Å
15	P	27	Very low	27.5	Very low	130 Å²	130	136.8 Å²	136.8	84%	0.844	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-71.5	120.6	177.7	27.8	-30.1	0	0	0	110.1
16	R	25	Very low	27.4	Very low	230 Å²	230	140 Å²	140	87%	0.868	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-73.5	124.3	165.6	-86.5	177.4	163.1	179.1	-5.7	108.6	A14 T18	A14-R16 PolarHBondContact O-N 2.64Å; R16-T18 PolarHBondContact O-N 2.65Å; R16-T18 PolarHBondContact O-OG1 3.06Å
17	V	25.6	Very low	27.2	Very low	141 Å²	141	145 Å²	145	86%	0.855	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-60.8	121.8	163.3	176.9	0	0	0	0	107.9
18	T	23.9	Very low	27.1	Very low	116 Å²	116	139.6 Å²	139.6	71%	0.712	83%	0.827	S	S	*	*			trans	-101.5	107.6	-178.8	-42.7	0	0	0	0	108.1	R16 L20	R16-T18 PolarHBondContact O-N 2.65Å; R16-T18 PolarHBondContact O-OG1 3.06Å; T18-L20 PolarHBondContact O-N 3.39Å
19	L	24.8	Very low	27.2	Very low	167 Å²	167	137.4 Å²	137.4	87%	0.874	82%	0.824	S	S	*	*			trans	-69.8	112.8	167.4	-84.3	151.7	0	0	0	108.4
20	L	25.5	Very low	27.3	Very low	165 Å²	165	138.5 Å²	138.5	86%	0.864	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-81.5	135.7	169.3	-81.4	163.4	0	0	0	109.7	T18	T18-L20 PolarHBondContact O-N 3.39Å
21	G	24.5	Very low	27.4	Very low	78 Å²	78	137.5 Å²	137.5	80%	0.804	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-67.2	142.7	-158.1	0	0	0	0	0	116.4
22	L	29.1	Very low	28	Very low	174 Å²	174	144.8 Å²	144.8	91%	0.911	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-76	126.5	165.3	-72	160.7	0	0	0	109.3
23	G	24.8	Very low	28.7	Very low	73 Å²	73	143.7 Å²	143.7	75%	0.753	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-65.7	136.5	165.7	0	0	0	0	0	110.6	A25	G23-A25 PolarHBondContact O-N 3.02Å; G23-A25 VanDerWaalsContact O-N 3.11Å
24	E	27.8	Very low	30.3	Very low	202 Å²	202	142.4 Å²	142.4	94%	0.944	79%	0.791	S	S	*	*			trans	-63.1	107.3	-179	-69.2	-178.7	145.7	0	0	111.4
25	A	27.8	Very low	31.9	Very low	74 Å²	74	139.3 Å²	139.3	61%	0.612	77%	0.765	S	S	*	*			trans	-90.6	131.4	160.6	0	0	0	0	0	108.9	G23 W27	G23-A25 PolarHBondContact O-N 3.02Å; G23-A25 VanDerWaalsContact O-N 3.11Å; A25-W27 PolarHBondContact O-N 2.79Å; A25-W27 VanDerWaalsContact O-N 3.14Å
26	V	27.1	Very low	34.6	Very low	147 Å²	147	134.9 Å²	134.9	89%	0.891	73%	0.733	S	S	*	*			trans	-65.7	108.8	-178.4	176.5	0	0	0	0	109.9	T28	V26-T28 PolarHBondContact O-N 3.25Å
27	W	28.2	Very low	37.3	Very low	214 Å²	214	124.3 Å²	124.3	81%	0.811	69%	0.694	S	S	*	*			trans	-79.7	115.9	177.4	-72.9	79.2	0	0	0	111.2	A25 A31	A25-W27 PolarHBondContact O-N 2.79Å; A25-W27 VanDerWaalsContact O-N 3.14Å; W27-A31 HydrophobicContact CZ3-CB 4.19Å
28	T	28.9	Very low	40.2	Very low	128 Å²	128	120.5 Å²	120.5	79%	0.785	67%	0.673	S	S	*	*			trans	-70.1	126.4	160.5	33.4	0	0	0	0	109.5	V26 Q30	V26-T28 PolarHBondContact O-N 3.25Å; T28-Q30 PolarHBondContact O-N 3Å
29	K	31.3	Very low	43.1	Very low	205 Å²	205	119.7 Å²	119.7	89%	0.891	66%	0.661	S	S	*	*	S	Bend	trans	-69	85.3	-176.8	-76.8	179.2	173.4	176.3	0	112.2
30	Q	30.5	Very low	45.8	Very low	196 Å²	196	113.1 Å²	113.1	92%	0.916	63%	0.626	S	S	*	*			trans	-167.9	40.9	146.5	-127.1	156.7	-10.1	0	0	115	T28	T28-Q30 PolarHBondContact O-N 3Å
31	A	32.8	Very low	48.6	Very low	71 Å²	71	105.6 Å²	105.6	59%	0.587	59%	0.588	S	S	*	*			trans	-93.3	106.8	166.3	0	0	0	0	0	109.2	W27 S33	W27-A31 HydrophobicContact CZ3-CB 4.19Å; A31-S33 PolarHBondContact O-N 3.03Å
32	R	38.7	Very low	51.6	Low	232 Å²	232	105.5 Å²	105.5	88%	0.875	58%	0.58	S	S	*	*			trans	-60	117.4	154.9	-78.8	-179.7	173.7	176.7	-1.9	105.4	V34	R32-V34 PolarHBondContact O-N 3.5Å
33	S	44	Very low	54.2	Low	110 Å²	110	104 Å²	104	77%	0.769	57%	0.568	S	S	*	*			trans	-56.5	104.1	170.6	151.6	0	0	0	0	107.3	A31	A31-S33 PolarHBondContact O-N 3.03Å
34	V	59.4	Low	57.2	Low	47 Å²	47	105.4 Å²	105.4	29%	0.285	55%	0.55	S	S	.	*	P	Polyproline II helix	trans	-93.3	123.3	171.8	-179.7	0	0	0	0	106.2	R32 M36	R32-V34 PolarHBondContact O-N 3.5Å; V34-M36 PolarHBondContact O-N 3.09Å
35	A	62.8	Low	60	Low	26 Å²	26	101.6 Å²	101.6	22%	0.215	54%	0.541	C	S	.	.	P	Polyproline II helix	trans	-59.3	119	-176.6	0	0	0	0	0	110.9	E39 Q40	A35-E39 WeakPolarHBondContact CA-OE2 3.47Å; A35-E39 HydrophobicContact CB-CB 4.15Å; A35-Q40 HydrophobicContact CB-CG 3.89Å; A35-Q40 PolarHBondContact O-NE2 3.15Å
36	M	83.5	Confident	63.1	Low	37 Å²	37	105.7 Å²	105.7	18%	0.182	55%	0.547	C	S	.	.	P	Polyproline II helix	trans	-79.3	172.4	176.8	-68.2	-60.7	-72.9	0	0	111.5	V34 S38 E39 Q40 A481 Q483	V34-M36 PolarHBondContact O-N 3.09Å; M36-S38 VanDerWaalsContact C-N 3.33Å; M36-S38 PolarHBondContact O-N 3.26Å; M36-E39 PolarHBondContact N-OE2 3.48Å; M36-E39 WeakPolarHBondContact O-CB 3.39Å; M36-E39 PolarHBondContact O-N 3Å; M36-Q40 WeakPolarHBondContact O-CG 3.37Å; M36-Q40 PolarHBondContact O-N 3.44Å; M36-A481 HydrophobicContact CE-CB 3.59Å; M36-A481 HydrophobicContact SD-CB 3.34Å; M36-A481 WeakPolarHBondContact SD-CB 3.28Å; M36-Q483 HydrophobicContact CE-CB 3.52Å
37	F	83.5	Confident	66.2	Low	8 Å²	8	100.9 Å²	100.9	4%	0.035	52%	0.518	C	S	.	.	H	α-helix	trans	-51.7	-48.2	-171.7	-178.7	-94	0	0	0	113	E39 Q40 A41 F230 E266 L474 I485	F37-E39 VanDerWaalsContact C-N 3.35Å; F37-E39 PolarHBondContact O-N 2.75Å; F37-Q40 PolarHBondContact O-N 3.43Å; F37-A41 WeakPolarHBondContact O-CB 3.35Å; F37-A41 PolarHBondContact O-N 3.27Å; F37-F230 HydrophobicContact CB-CE1 4.2Å; F37-F230 HydrophobicContact CB-CZ 4.48Å; F37-E266 VanDerWaalsContact CE1-OE2 3.27Å; F37-E266 WeakPolarHBondContact CE1-OE2 3.09Å; F37-L474 HydrophobicContact CB-CD1 3.72Å; F37-L474 HydrophobicContact CD1-CD1 3.94Å; F37-L474 HydrophobicContact CD2-CD1 3.26Å; F37-L474 HydrophobicContact CE1-CD1 4.39Å; F37-L474 HydrophobicContact CE2-CD1 3.77Å; F37-L474 HydrophobicContact CG-CD1 3.35Å; F37-L474 HydrophobicContact CZ-CD1 4.32Å; F37-I485 HydrophobicContact CD1-CD1 4.1Å; F37-I485 HydrophobicContact CE1-CD1 4.16Å
38	S	84.8	Confident	69.3	Low	60 Å²	60	96 Å²	96	42%	0.42	51%	0.507	S	S	.	.	H	α-helix	trans	-66.2	-34.5	178.8	-54.3	0	0	0	0	113.2	M36 Q40 A41 A42 Q483	M36-S38 VanDerWaalsContact C-N 3.33Å; M36-S38 PolarHBondContact O-N 3.26Å; S38-Q40 VanDerWaalsContact C-N 3.34Å; S38-A41 PolarHBondContact O-N 3.23Å; S38-A42 WeakPolarHBondContact O-CB 3.33Å; S38-A42 PolarHBondContact O-N 2.89Å; S38-Q483 PolarHBondContact OG-NE2 3.28Å
39	E	85.5	Confident	72.5	Confident	100 Å²	100	98.5 Å²	98.5	47%	0.467	52%	0.515	S	S	.	.	H	α-helix	trans	-70	-34.7	176.3	-65.8	179.4	142.5	0	0	111.2	A35 M36 F37 Q43	A35-E39 WeakPolarHBondContact CA-OE2 3.47Å; A35-E39 HydrophobicContact CB-CB 4.15Å; M36-E39 PolarHBondContact N-OE2 3.48Å; M36-E39 WeakPolarHBondContact O-CB 3.39Å; M36-E39 PolarHBondContact O-N 3Å; F37-E39 VanDerWaalsContact C-N 3.35Å; F37-E39 PolarHBondContact O-N 2.75Å; E39-Q43 WeakPolarHBondContact O-CG 3.17Å; E39-Q43 PolarHBondContact O-NE2 3.32Å
40	Q	82.2	Confident	75.5	Confident	29 Å²	29	92.2 Å²	92.2	14%	0.136	50%	0.497	C	S	.	.	H	α-helix	trans	-70.3	-41.7	173.7	-64.4	-172.7	6.9	0	0	111.6	A35 M36 F37 S38 A42 Q43 D228	A35-Q40 HydrophobicContact CB-CG 3.89Å; A35-Q40 PolarHBondContact O-NE2 3.15Å; M36-Q40 WeakPolarHBondContact O-CG 3.37Å; M36-Q40 PolarHBondContact O-N 3.44Å; F37-Q40 PolarHBondContact O-N 3.43Å; S38-Q40 VanDerWaalsContact C-N 3.34Å; Q40-A42 VanDerWaalsContact C-N 3.32Å; Q40-A42 PolarHBondContact O-N 2.91Å; Q40-Q43 PolarHBondContact O-N 2.9Å; Q40-D228 VanDerWaalsContact NE2-CG 3.33Å; Q40-D228 PolarHBondContact NE2-OD2 3.16Å
41	A	83.9	Confident	78.6	Confident	7 Å²	7	88.1 Å²	88.1	6%	0.058	49%	0.487	C	S	.	.	H	α-helix	trans	-63	-37.7	177.7	0	0	0	0	0	112.4	F37 S38 Q43 G265 E266 S269	F37-A41 WeakPolarHBondContact O-CB 3.35Å; F37-A41 PolarHBondContact O-N 3.27Å; S38-A41 PolarHBondContact O-N 3.23Å; A41-Q43 VanDerWaalsContact C-N 3.28Å; A41-Q43 PolarHBondContact O-N 2.86Å; A41-G265 VanDerWaalsContact O-CA 3.23Å; A41-G265 WeakPolarHBondContact O-CA 3.42Å; A41-E266 HydrophobicContact CB-CG 4.22Å; A41-E266 WeakPolarHBondContact CB-OE1 3.47Å; A41-S269 WeakPolarHBondContact CA-OG 3.32Å; A41-S269 PolarHBondContact N-OG 3.49Å; A41-S269 VanDerWaalsContact N-OG 3.15Å
42	A	87	Confident	81.6	Confident	76 Å²	76	91.2 Å²	91.2	63%	0.628	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-3.9	-178.7	0	0	0	0	0	115.1	S38 Q40 R44	S38-A42 WeakPolarHBondContact O-CB 3.33Å; S38-A42 PolarHBondContact O-N 2.89Å; Q40-A42 VanDerWaalsContact C-N 3.32Å; Q40-A42 PolarHBondContact O-N 2.91Å; A42-R44 VanDerWaalsContact C-N 3.28Å; A42-R44 PolarHBondContact O-N 2.98Å
43	Q	84.7	Confident	84.1	Confident	141 Å²	141	83.2 Å²	83.2	66%	0.659	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-16.2	-176.6	-80.3	168.6	22.8	0	0	114.3	E39 Q40 A41	E39-Q43 WeakPolarHBondContact O-CG 3.17Å; E39-Q43 PolarHBondContact O-NE2 3.32Å; Q40-Q43 PolarHBondContact O-N 2.9Å; A41-Q43 VanDerWaalsContact C-N 3.28Å; A41-Q43 PolarHBondContact O-N 2.86Å
44	R	87.1	Confident	86.4	Confident	104 Å²	104	82.9 Å²	82.9	39%	0.392	49%	0.485	S	S	.	.	S	Bend	trans	-102.5	150.6	-175.6	-66.1	-172.4	174.8	-144.1	1.6	112	A42 F59 E264 C268	A42-R44 VanDerWaalsContact C-N 3.28Å; A42-R44 PolarHBondContact O-N 2.98Å; R44-F59 VanDerWaalsContact NH1-CE1 3.27Å; R44-F59 VanDerWaalsContact NH1-CZ 3.32Å; R44-E264 IonicContact NH1-OE2 2.66Å; R44-C268 PolarHBondContact NH2-SG 3.18Å
45	T	87.3	Confident	87.9	Confident	121 Å²	121	87.4 Å²	87.4	74%	0.742	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-69.4	140.5	173.1	49.1	0	0	0	0	110.9
46	H	91.4	Very high	89.2	Confident	161 Å²	161	92.2 Å²	92.2	75%	0.745	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-71.2	142.3	177.6	-59.1	-179.8	0	0	0	111.5	D263	H46-D263 VanDerWaalsContact CA-OD2 3.26Å; H46-D263 WeakPolarHBondContact CA-OD2 3.44Å; H46-D263 WeakPolarHBondContact CB-OD2 3.38Å
47	T	92.2	Very high	89.7	Confident	45 Å²	45	92.3 Å²	92.3	28%	0.276	54%	0.536	S	S	.	.			trans	-122.9	-25	-175.7	66.9	0	0	0	0	112.9	L49 S50 D263 E264	T47-L49 PolarHBondContact O-N 2.86Å; T47-S50 WeakPolarHBondContact O-CB 3.36Å; T47-S50 PolarHBondContact O-OG 3.34Å; T47-D263 PolarHBondContact N-OD1 2.71Å; T47-D263 PolarHBondContact N-OD2 2.78Å; T47-D263 PolarHBondContact OG1-OD1 2.99Å; T47-E264 HydrophobicContact CG2-CG 4.39Å
48	L	93.6	Very high	90.3	Very high	112 Å²	112	98.3 Å²	98.3	59%	0.586	57%	0.574	S	S	*	*	S	Bend	trans	-76.2	-21	-165.9	-66	-179.6	0	0	0	115.5	S50 D263	L48-S50 PolarHBondContact O-N 3.15Å; L48-S50 VanDerWaalsContact O-N 3.11Å; L48-D263 HydrophobicContact CD1-CB 3.98Å; L48-D263 HydrophobicContact CG-CB 4.23Å; L48-D263 PolarHBondContact N-OD2 2.84Å
49	L	95.6	Very high	90.9	Very high	181 Å²	181	98.4 Å²	98.4	95%	0.948	57%	0.566	S	S	*	*	S	Bend	trans	-87.3	50.7	174.2	-65.4	178.6	0	0	0	111.4	T47	T47-L49 PolarHBondContact O-N 2.86Å
50	S	94.4	Very high	91.4	Very high	73 Å²	73	98 Å²	98	51%	0.51	58%	0.581	S	S	.	*	S	Bend	trans	-143.9	162	179.5	73.3	0	0	0	0	111.8	T47 L48	T47-S50 WeakPolarHBondContact O-CB 3.36Å; T47-S50 PolarHBondContact O-OG 3.34Å; L48-S50 PolarHBondContact O-N 3.15Å; L48-S50 VanDerWaalsContact O-N 3.11Å
51	P	96	Very high	92.1	Very high	109 Å²	109	99.6 Å²	99.6	71%	0.708	59%	0.585	S	S	*	*	S	Bend	trans	-60	158.4	173.2	-22.5	34	0	0	0	112.2	S53	P51-S53 PolarHBondContact O-N 2.75Å
52	P	95.2	Very high	92.6	Very high	136 Å²	136	100 Å²	100	88%	0.883	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-52.9	131.1	-179.7	-27.3	35	0	0	0	113.3
53	S	93	Very high	92.7	Very high	64 Å²	64	100.4 Å²	100.4	45%	0.448	58%	0.583	S	S	.	*	P	Polyproline II helix	trans	-98.9	150	175.7	149.8	0	0	0	0	110.4	P51 N55	P51-S53 PolarHBondContact O-N 2.75Å; S53-N55 VanDerWaalsContact C-N 3.33Å; S53-N55 PolarHBondContact OG-N 2.71Å; S53-N55 PolarHBondContact OG-O 2.86Å
54	A	91.8	Very high	92.5	Very high	103 Å²	103	95.9 Å²	95.9	85%	0.851	57%	0.565	S	S	*	*	S	Bend	trans	-75	-24	173.5	0	0	0	0	0	112.9
55	N	90.3	Very high	92	Very high	143 Å²	143	95.9 Å²	95.9	77%	0.765	58%	0.576	S	S	*	*			trans	-112.6	107.4	-178.5	-70.6	-12.9	0	0	0	108.9	S53	S53-N55 VanDerWaalsContact C-N 3.33Å; S53-N55 PolarHBondContact OG-N 2.71Å; S53-N55 PolarHBondContact OG-O 2.86Å
56	N	91.2	Very high	92.3	Very high	127 Å²	127	93.6 Å²	93.6	68%	0.679	56%	0.563	S	S	*	*			trans	-104.5	133.8	172.3	-61.1	-48.2	0	0	0	109
57	A	93.8	Very high	92.6	Very high	39 Å²	39	88.5 Å²	88.5	32%	0.322	54%	0.537	S	S	.	.			trans	-65.4	146.7	176.9	0	0	0	0	0	111	F59 E264	A57-F59 HydrophobicContact CB-CE1 4.42Å; A57-F59 HydrophobicContact CB-CE2 4.03Å; A57-F59 HydrophobicContact CB-CZ 3.72Å; A57-E264 HydrophobicContact CB-CG 4.04Å; A57-E264 WeakPolarHBondContact CB-OE1 3.33Å
58	T	95.5	Very high	92.9	Very high	134 Å²	134	90.4 Å²	90.4	82%	0.822	55%	0.549	S	S	*	.			trans	-131.9	141.3	168.1	53.6	0	0	0	0	108
59	F	96.5	Very high	93.1	Very high	61 Å²	61	86.3 Å²	86.3	27%	0.268	53%	0.527	S	S	.	.			trans	-117.3	127.2	-176.4	-58	-71.3	0	0	0	109.9	R44 A57 E264 Q267 C268 A271	R44-F59 VanDerWaalsContact NH1-CE1 3.27Å; R44-F59 VanDerWaalsContact NH1-CZ 3.32Å; A57-F59 HydrophobicContact CB-CE1 4.42Å; A57-F59 HydrophobicContact CB-CE2 4.03Å; A57-F59 HydrophobicContact CB-CZ 3.72Å; F59-E264 HydrophobicContact CE2-CB 4.2Å; F59-E264 HydrophobicContact CE2-CG 4.45Å; F59-E264 HydrophobicContact CZ-CB 4.03Å; F59-E264 HydrophobicContact CZ-CG 4.37Å; F59-Q267 HydrophobicContact CD2-CB 3.82Å; F59-Q267 HydrophobicContact CE2-CB 3.91Å; F59-C268 HydrophobicContact CD1-CB 4.03Å; F59-C268 HydrophobicContact CD2-CB 4.4Å; F59-C268 HydrophobicContact CE1-CB 3.9Å; F59-C268 HydrophobicContact CE2-CB 4.27Å; F59-C268 HydrophobicContact CG-CB 4.29Å; F59-C268 HydrophobicContact CZ-CB 4.02Å; F59-A271 HydrophobicContact CB-CB 3.82Å
60	A	96.7	Very high	93.1	Very high	93 Å²	93	79.2 Å²	79.2	77%	0.769	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-73.9	131.5	170.8	0	0	0	0	0	109.3	V62	A60-V62 PolarHBondContact O-N 2.89Å
61	R	96.3	Very high	93.3	Very high	62 Å²	62	75.8 Å²	75.8	23%	0.234	47%	0.469	C	S	.	.	P	Polyproline II helix	trans	-56.7	137.5	169.6	-172.7	72.8	60.4	-166	-5	109.1	V257 A270 A271 V273 S324	R61-V257 PolarHBondContact NH1-O 2.86Å; R61-V257 PolarHBondContact NH2-O 2.82Å; R61-A270 VanDerWaalsContact NH1-C 3.31Å; R61-A270 PolarHBondContact NH1-O 3.16Å; R61-A271 WeakPolarHBondContact CD-O 3.15Å; R61-V273 VanDerWaalsContact CD-O 3.3Å; R61-V273 WeakPolarHBondContact CD-O 3.37Å; R61-S324 PolarHBondContact NE-O 2.93Å; R61-S324 VanDerWaalsContact NE-O 3.1Å; R61-S324 PolarHBondContact NH2-OG 3.27Å
62	V	94.4	Very high	93.3	Very high	15 Å²	15	75.6 Å²	75.6	9%	0.091	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-60.3	138	175.8	-66.3	0	0	0	0	110.9	A60 V64 R229 A271 H272	A60-V62 PolarHBondContact O-N 2.89Å; V62-V64 PolarHBondContact O-N 3.4Å; V62-R229 VanDerWaalsContact CB-NH1 3.33Å; V62-A271 WeakPolarHBondContact CG1-O 3.36Å; V62-A271 WeakPolarHBondContact CG2-O 3.47Å; V62-A271 PolarHBondContact N-O 3.04Å; V62-H272 HydrophobicContact CG1-CB 4.16Å
63	P	89.1	Confident	93.3	Very high	84 Å²	84	72.8 Å²	72.8	55%	0.545	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-69.5	136.4	-177.9	27.2	-33.8	0	0	0	109.9	V65 R229	P63-V65 HydrophobicContact CG-CG2 4.27Å; P63-V65 PolarHBondContact O-N 3Å; P63-V65 VanDerWaalsContact O-N 3.08Å; P63-R229 PolarHBondContact O-NH1 3.42Å
64	V	82.1	Confident	93.6	Very high	47 Å²	47	69.9 Å²	69.9	29%	0.285	42%	0.42	S	S	.	.			trans	-74.1	98.2	165.9	-179.7	0	0	0	0	107.6	V62 S274 P326	V62-V64 PolarHBondContact O-N 3.4Å; V64-S274 VanDerWaalsContact CG2-O 3.31Å; V64-S274 WeakPolarHBondContact CG2-O 3.33Å; V64-P326 HydrophobicContact CG2-CG 3.82Å
65	V	76.2	Confident	93.8	Very high	103 Å²	103	70.1 Å²	70.1	62%	0.624	40%	0.398	S	S	*	.			trans	-75.4	-45.4	-171.9	-174.4	0	0	0	0	110.1	P63 D372	P63-V65 HydrophobicContact CG-CG2 4.27Å; P63-V65 PolarHBondContact O-N 3Å; P63-V65 VanDerWaalsContact O-N 3.08Å; V65-D372 PolarHBondContact N-OD1 2.83Å
66	T	92.8	Very high	94	Very high	74 Å²	74	64.7 Å²	64.7	45%	0.454	37%	0.369	S	S	.	.			trans	-137.2	128.6	177.4	58.2	0	0	0	0	111.4	D372	T66-D372 PolarHBondContact N-OD1 3.05Å; T66-D372 PolarHBondContact O-N 3.22Å; T66-D372 WeakPolarHBondContact OG1-CA 3.29Å
67	Y	97.4	Very high	93.8	Very high	53 Å²	53	61.8 Å²	61.8	21%	0.208	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	134.7	173.2	172.8	-99.9	0	0	0	109.3	N69 R275 Q361 Y367 A369 T370 I371	Y67-N69 HydrophobicContact CE1-CB 4.08Å; Y67-N69 WeakPolarHBondContact OH-CB 3.34Å; Y67-R275 VanDerWaalsContact CE2-CZ 3.49Å; Y67-R275 VanDerWaalsContact CG-NH2 3.3Å; Y67-Q361 PolarHBondContact OH-NE2 3.23Å; Y67-Y367 WeakPolarHBondContact CE2-OH 3.37Å; Y67-Y367 PolarHBondContact OH-OH 3.09Å; Y67-A369 HydrophobicContact CE2-CB 3.84Å; Y67-T370 WeakPolarHBondContact CA-O 3.41Å; Y67-I371 HydrophobicContact CD2-CG1 4.17Å; Y67-I371 HydrophobicContact CE2-CG1 4.38Å
68	T	98.1	Very high	93.3	Very high	85 Å²	85	69.2 Å²	69.2	52%	0.521	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	114.4	173.6	-59.1	0	0	0	0	109.5	S70 A369 T370	T68-S70 PolarHBondContact O-N 3.34Å; T68-A369 CarbonylContact O-C 3.27Å; T68-A369 VanDerWaalsContact O-CA 3.25Å; T68-A369 WeakPolarHBondContact O-CA 3.29Å; T68-T370 PolarHBondContact N-O 2.87Å; T68-T370 PolarHBondContact O-N 2.98Å
69	N	98.1	Very high	92.9	Very high	26 Å²	26	69.6 Å²	69.6	14%	0.139	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	117.8	168.7	-172.5	-38.3	0	0	0	109.2	Y67 S71 Q361	Y67-N69 HydrophobicContact CE1-CB 4.08Å; Y67-N69 WeakPolarHBondContact OH-CB 3.34Å; N69-S71 VanDerWaalsContact OD1-CB 3.32Å; N69-S71 WeakPolarHBondContact OD1-CB 3.34Å; N69-S71 PolarHBondContact OD1-N 2.79Å; N69-S71 PolarHBondContact OD1-OG 3.45Å; N69-Q361 PolarHBondContact ND2-NE2 3.43Å
70	S	97.3	Very high	92.5	Very high	33 Å²	33	68.8 Å²	68.8	23%	0.231	39%	0.386	C	S	.	.			trans	-114.7	24.3	179.5	61.9	0	0	0	0	112.2	T68 Q72 P73 Q368	T68-S70 PolarHBondContact O-N 3.34Å; S70-Q72 PolarHBondContact O-N 3.23Å; S70-P73 WeakPolarHBondContact O-CD 3.45Å; S70-Q368 CarbonylContact C-O 3.6Å; S70-Q368 PolarHBondContact N-O 3.11Å; S70-Q368 WeakPolarHBondContact OG-CG 3.43Å; S70-Q368 PolarHBondContact OG-NE2 3.33Å; S70-Q368 PolarHBondContact OG-O 2.91Å
71	S	96.9	Very high	92.2	Very high	0 Å²	0	70.5 Å²	70.5	0%	0	38%	0.376	C	S	.	.			trans	-85.1	15.1	-179.1	88.6	0	0	0	0	113.9	N69 P73 F74 R75 T364 Q368	N69-S71 VanDerWaalsContact OD1-CB 3.32Å; N69-S71 WeakPolarHBondContact OD1-CB 3.34Å; N69-S71 PolarHBondContact OD1-N 2.79Å; N69-S71 PolarHBondContact OD1-OG 3.45Å; S71-P73 VanDerWaalsContact C-N 3.32Å; S71-F74 WeakPolarHBondContact O-CB 3.35Å; S71-F74 PolarHBondContact O-N 3.09Å; S71-R75 PolarHBondContact O-N 3.2Å; S71-T364 WeakPolarHBondContact CB-OG1 3.34Å; S71-T364 PolarHBondContact OG-OG1 2.87Å; S71-Q368 PolarHBondContact N-O 3.18Å
72	Q	96.9	Very high	91.9	Very high	106 Å²	106	72.7 Å²	72.7	50%	0.495	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-54.2	-37.8	178.2	-55.5	-54.8	-37.1	0	0	114	S70 F74 R75	S70-Q72 PolarHBondContact O-N 3.23Å; Q72-F74 PolarHBondContact O-N 2.88Å; Q72-F74 VanDerWaalsContact O-N 3.11Å; Q72-R75 PolarHBondContact O-N 2.94Å
73	P	96	Very high	91.7	Very high	76 Å²	76	75.7 Å²	75.7	49%	0.494	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-59.5	-21.3	174.9	-25.4	36.3	0	0	0	114.5	S70 S71 P427	S70-P73 WeakPolarHBondContact O-CD 3.45Å; S71-P73 VanDerWaalsContact C-N 3.32Å; P73-P427 HydrophobicContact CB-CB 4.33Å
74	F	97.6	Very high	91.8	Very high	4 Å²	4	78.8 Å²	78.8	2%	0.018	42%	0.418	C	S	.	.	G	3₁₀ helix	trans	-96.1	-8.4	178.9	-52.8	-56.9	0	0	0	113.2	S71 Q72 P342 Q344 T364 P366 Q368 L377 I409 P427 F428	S71-F74 WeakPolarHBondContact O-CB 3.35Å; S71-F74 PolarHBondContact O-N 3.09Å; Q72-F74 PolarHBondContact O-N 2.88Å; Q72-F74 VanDerWaalsContact O-N 3.11Å; F74-P342 HydrophobicContact CB-CB 3.82Å; F74-P342 HydrophobicContact CB-CG 4.35Å; F74-P342 HydrophobicContact CD1-CB 4.3Å; F74-P342 HydrophobicContact CG-CB 4.48Å; F74-P342 WeakPolarHBondContact O-CB 3.43Å; F74-P342 WeakPolarHBondContact O-CG 3.12Å; F74-Q344 PolarHBondContact O-NE2 2.95Å; F74-T364 HydrophobicContact CB-CG2 4.3Å; F74-P366 HydrophobicContact CD1-CB 4.38Å; F74-P366 HydrophobicContact CD1-CG 4.22Å; F74-P366 HydrophobicContact CD2-CB 4.17Å; F74-P366 VanDerWaalsContact CD2-O 3.32Å; F74-P366 WeakPolarHBondContact CD2-O 3.23Å; F74-P366 HydrophobicContact CE1-CB 4.15Å; F74-P366 HydrophobicContact CE1-CG 4.03Å; F74-P366 HydrophobicContact CE2-CB 3.94Å; F74-P366 HydrophobicContact CG-CB 4.4Å; F74-P366 HydrophobicContact CZ-CB 3.94Å; F74-P366 HydrophobicContact CZ-CG 4.28Å; F74-Q368 HydrophobicContact CE2-CB 4.37Å; F74-L377 HydrophobicContact CE2-CD1 4.21Å; F74-L377 HydrophobicContact CZ-CD1 4.41Å; F74-I409 HydrophobicContact CE1-CD1 4.38Å; F74-I409 HydrophobicContact CZ-CD1 3.98Å; F74-P427 HydrophobicContact CD1-CB 4.16Å; F74-P427 HydrophobicContact CE1-CB 4.03Å; F74-P427 WeakPolarHBondContact CE1-O 3.32Å; F74-F428 HydrophobicContact CD1-CE1 4.44Å; F74-F428 HydrophobicContact CE1-CD1 4.13Å; F74-F428 HydrophobicContact CE1-CE1 4.33Å
75	R	96.8	Very high	92.3	Very high	107 Å²	107	81.3 Å²	81.3	40%	0.404	42%	0.423	S	S	.	.			trans	-83.4	119.6	174.1	-72.7	-171	176.2	-176.3	-2.8	110	S71 Q72 T364	S71-R75 PolarHBondContact O-N 3.2Å; Q72-R75 PolarHBondContact O-N 2.94Å; R75-T364 HydrophobicContact CG-CG2 3.65Å
76	L	93.8	Very high	93	Very high	29 Å²	29	79.5 Å²	79.5	15%	0.152	42%	0.419	C	S	.	.			trans	-92.7	117.3	176.7	-59.6	178.2	0	0	0	108.8	R79 P342 Y420 F422	L76-R79 HydrophobicContact CB-CG 3.94Å; L76-R79 HydrophobicContact CD1-CG 4.46Å; L76-P342 HydrophobicContact CD1-CG 4.2Å; L76-P342 HydrophobicContact CD2-CG 4.27Å; L76-P342 HydrophobicContact CG-CG 4.09Å; L76-Y420 HydrophobicContact CD1-CD1 4.15Å; L76-Y420 HydrophobicContact CD1-CD2 3.91Å; L76-Y420 HydrophobicContact CD1-CE2 4.48Å; L76-Y420 HydrophobicContact CD1-CG 3.73Å; L76-Y420 HydrophobicContact CD2-CD1 3.87Å; L76-Y420 HydrophobicContact CD2-CE1 4.12Å; L76-Y420 HydrophobicContact CD2-CG 4.3Å; L76-F422 HydrophobicContact CD2-CE1 3.67Å; L76-F422 HydrophobicContact CD2-CZ 3.82Å
77	G	86.8	Confident	93	Very high	66 Å²	66	80.7 Å²	80.7	68%	0.68	42%	0.419	S	S	*	.	S	Bend	trans	-73	-114.2	170.5	0	0	0	0	0	111	R79	G77-R79 PolarHBondContact O-N 3.36Å
78	E	83.3	Confident	92.9	Very high	196 Å²	196	78.2 Å²	78.2	92%	0.916	41%	0.409	S	S	*	.	S	Bend	trans	-67.5	120.5	172.7	-67.5	-172.6	170.9	0	0	111
79	R	87.1	Confident	92.7	Very high	142 Å²	142	76.8 Å²	76.8	54%	0.536	40%	0.395	S	S	.	.			trans	-95.9	129.5	-177.7	-67.4	177.9	-70.1	178.8	-0.9	110.3	L76 G77 F81 Y420	L76-R79 HydrophobicContact CB-CG 3.94Å; L76-R79 HydrophobicContact CD1-CG 4.46Å; G77-R79 PolarHBondContact O-N 3.36Å; R79-F81 HydrophobicContact CB-CE2 3.93Å; R79-F81 HydrophobicContact CB-CZ 4.45Å; R79-Y420 HydrophobicContact CB-CE2 4.3Å
80	S	89.5	Confident	92.6	Very high	43 Å²	43	77.8 Å²	77.8	30%	0.301	41%	0.406	S	S	.	.			trans	-131.4	121.3	175.8	-178.6	0	0	0	0	110.2	S82 Y420	S80-S82 PolarHBondContact OG-OG 2.89Å; S80-Y420 PolarHBondContact N-OH 3.48Å; S80-Y420 PolarHBondContact O-OH 2.95Å
81	F	89.6	Confident	92.5	Very high	129 Å²	129	77 Å²	77	57%	0.566	40%	0.4	S	S	*	.			trans	-104.8	7	-177.2	-64.5	-86.1	0	0	0	113.2	R79 R83 Y420	R79-F81 HydrophobicContact CB-CE2 3.93Å; R79-F81 HydrophobicContact CB-CZ 4.45Å; F81-R83 PolarHBondContact O-N 2.91Å; F81-Y420 HydrophobicContact CD1-CD2 4.46Å; F81-Y420 AromaticContact CE1-CD2 3.94Å; F81-Y420 HydrophobicContact CE1-CD2 3.94Å; F81-Y420 HydrophobicContact CE1-CE2 4.29Å; F81-Y420 HydrophobicContact CZ-CD2 4.27Å; F81-Y420 HydrophobicContact CZ-CE2 4.4Å
82	S	90.6	Very high	92.5	Very high	108 Å²	108	77 Å²	77	76%	0.755	40%	0.4	S	S	*	.			trans	-76.8	0.8	-179.7	56	0	0	0	0	113.9	S80	S80-S82 PolarHBondContact OG-OG 2.89Å
83	R	89.5	Confident	92.6	Very high	79 Å²	79	72.3 Å²	72.3	30%	0.298	38%	0.379	S	S	.	.	S	Bend	trans	-95.9	149.6	-175.5	-62.1	-176.2	-178	131.7	-1.3	111.8	F81 P421 Y423	F81-R83 PolarHBondContact O-N 2.91Å; R83-P421 HydrophobicContact CB-CB 4.3Å; R83-P421 HydrophobicContact CB-CG 4.44Å; R83-Y423 PolarHBondContact NH2-OH 2.88Å
84	Q	91.6	Very high	92.6	Very high	149 Å²	149	73.8 Å²	73.8	70%	0.696	38%	0.381	S	S	*	.			trans	-86.5	154.2	173.6	-64.5	-178.4	-15.7	0	0	111.7	A86	Q84-A86 VanDerWaalsContact C-N 3.28Å; Q84-A86 PolarHBondContact O-N 3.19Å
85	Y	93.6	Very high	92.6	Very high	100 Å²	100	76 Å²	76	39%	0.392	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-13.3	-178.5	-72	-63.5	0	0	0	114.8	H87 I88 P414 C419 P421	Y85-H87 PolarHBondContact O-N 2.95Å; Y85-H87 VanDerWaalsContact O-N 3.08Å; Y85-I88 WeakPolarHBondContact O-CG2 3.2Å; Y85-I88 PolarHBondContact O-N 3.13Å; Y85-I88 VanDerWaalsContact O-N 3.08Å; Y85-P414 HydrophobicContact CD1-CB 3.57Å; Y85-P414 HydrophobicContact CD1-CG 3.54Å; Y85-P414 HydrophobicContact CE1-CB 3.65Å; Y85-P414 HydrophobicContact CE1-CG 4.17Å; Y85-P414 HydrophobicContact CG-CB 4.03Å; Y85-P414 HydrophobicContact CG-CG 3.75Å; Y85-C419 WeakPolarHBondContact CE1-O 3.47Å; Y85-C419 PolarHBondContact OH-O 2.8Å; Y85-P421 HydrophobicContact CD1-CB 3.96Å; Y85-P421 HydrophobicContact CE1-CB 3.86Å
86	A	90.6	Very high	92.7	Very high	65 Å²	65	71 Å²	71	54%	0.537	37%	0.372	S	S	.	.	H	α-helix	trans	-55.6	-32.7	179.6	0	0	0	0	0	113.2	Q84 I88 Y89 A90	Q84-A86 VanDerWaalsContact C-N 3.28Å; Q84-A86 PolarHBondContact O-N 3.19Å; A86-I88 VanDerWaalsContact C-N 3.31Å; A86-I88 PolarHBondContact O-N 3.38Å; A86-Y89 PolarHBondContact O-N 2.97Å; A86-A90 PolarHBondContact O-N 3.4Å
87	H	92	Very high	92.9	Very high	99 Å²	99	71 Å²	71	46%	0.458	37%	0.371	S	S	.	.	H	α-helix	trans	-65.1	-30.7	-179.8	-63.1	-65.3	0	0	0	113.8	Y85 T91	Y85-H87 PolarHBondContact O-N 2.95Å; Y85-H87 VanDerWaalsContact O-N 3.08Å; H87-T91 WeakPolarHBondContact O-CB 3.48Å; H87-T91 PolarHBondContact O-N 3.3Å; H87-T91 PolarHBondContact O-OG1 3.47Å
88	I	94.7	Very high	93.4	Very high	0 Å²	0	71.3 Å²	71.3	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-69.6	-44.4	-178.8	-159.2	174.1	0	0	0	110.6	Y85 A86 T91 R92 P414 F422	Y85-I88 WeakPolarHBondContact O-CG2 3.2Å; Y85-I88 PolarHBondContact O-N 3.13Å; Y85-I88 VanDerWaalsContact O-N 3.08Å; A86-I88 VanDerWaalsContact C-N 3.31Å; A86-I88 PolarHBondContact O-N 3.38Å; I88-T91 PolarHBondContact O-N 3.4Å; I88-R92 VanDerWaalsContact O-CB 3.28Å; I88-R92 WeakPolarHBondContact O-CB 3.43Å; I88-R92 PolarHBondContact O-N 3.05Å; I88-P414 HydrophobicContact CG2-CG 3.97Å; I88-F422 HydrophobicContact CD1-CB 4.29Å; I88-F422 HydrophobicContact CD1-CD2 4.09Å; I88-F422 HydrophobicContact CG1-CB 4.27Å; I88-F422 PolarHBondContact N-O 3.41Å
89	Y	95.6	Very high	94.1	Very high	56 Å²	56	64.9 Å²	64.9	22%	0.22	33%	0.33	C	S	.	.	H	α-helix	trans	-65.4	-43.1	178.2	-69	-69.3	0	0	0	111.9	A86 T91 R92 L93 T131 P414	A86-Y89 PolarHBondContact O-N 2.97Å; Y89-T91 PolarHBondContact O-N 3.49Å; Y89-R92 PolarHBondContact O-N 2.82Å; Y89-L93 WeakPolarHBondContact O-CB 3.38Å; Y89-L93 PolarHBondContact O-N 2.83Å; Y89-T131 HydrophobicContact CD1-CG2 4.24Å; Y89-P414 HydrophobicContact CE2-CG 3.98Å; Y89-P414 WeakPolarHBondContact OH-CD 3.3Å
90	A	94.6	Very high	94.6	Very high	46 Å²	46	58.1 Å²	58.1	38%	0.38	30%	0.304	S	S	.	.	H	α-helix	trans	-59.9	-47	175.3	0	0	0	0	0	111.3	A86 R92 L93 I94	A86-A90 PolarHBondContact O-N 3.4Å; A90-R92 PolarHBondContact O-N 3.48Å; A90-L93 PolarHBondContact O-N 3.47Å; A90-I94 WeakPolarHBondContact O-CB 3.28Å; A90-I94 WeakPolarHBondContact O-CD1 3.49Å; A90-I94 WeakPolarHBondContact O-CG1 3.15Å; A90-I94 PolarHBondContact O-N 3Å
91	T	95.6	Very high	95	Very high	18 Å²	18	59 Å²	59	11%	0.11	30%	0.303	C	S	.	.	H	α-helix	trans	-62.7	-44	177.7	-57	0	0	0	0	111.5	H87 I88 Y89 I94 Q95 Y423 K424	H87-T91 WeakPolarHBondContact O-CB 3.48Å; H87-T91 PolarHBondContact O-N 3.3Å; H87-T91 PolarHBondContact O-OG1 3.47Å; I88-T91 PolarHBondContact O-N 3.4Å; Y89-T91 PolarHBondContact O-N 3.49Å; T91-I94 PolarHBondContact O-N 3.05Å; T91-Q95 HydrophobicContact CG2-CG 4.43Å; T91-Q95 WeakPolarHBondContact O-CB 3.37Å; T91-Q95 VanDerWaalsContact O-CG 3.3Å; T91-Q95 WeakPolarHBondContact O-CG 3.22Å; T91-Q95 PolarHBondContact O-N 3.21Å; T91-Y423 PolarHBondContact OG1-O 2.92Å; T91-K424 WeakPolarHBondContact CG2-O 3.34Å
92	R	97.8	Very high	95.3	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-60.5	-48.7	178.9	-175.2	-176.4	-63.6	172.6	1.2	111.3	I88 Y89 A90 I94 Q95 M96 G191 V193 H408 P411 A413 D426 I429	I88-R92 VanDerWaalsContact O-CB 3.28Å; I88-R92 WeakPolarHBondContact O-CB 3.43Å; I88-R92 PolarHBondContact O-N 3.05Å; Y89-R92 PolarHBondContact O-N 2.82Å; A90-R92 PolarHBondContact O-N 3.48Å; R92-I94 PolarHBondContact O-N 3.33Å; R92-Q95 PolarHBondContact O-N 3.08Å; R92-M96 HydrophobicContact CG-CG 4.25Å; R92-M96 VanDerWaalsContact O-CB 3.27Å; R92-M96 WeakPolarHBondContact O-CB 3.41Å; R92-M96 WeakPolarHBondContact O-CG 3.46Å; R92-M96 PolarHBondContact O-N 3.48Å; R92-G191 PolarHBondContact NH1-O 2.66Å; R92-V193 HydrophobicContact CG-CG2 3.88Å; R92-H408 VanDerWaalsContact CZ-NE2 3.25Å; R92-H408 PolarHBondContact NE-NE2 2.73Å; R92-H408 PolarHBondContact NH2-NE2 3.42Å; R92-P411 PolarHBondContact NH1-O 2.82Å; R92-A413 PolarHBondContact NH1-O 3.32Å; R92-A413 PolarHBondContact NH2-O 3.07Å; R92-D426 IonicContact CZ-OD2 3.06Å; R92-D426 VanDerWaalsContact CZ-OD2 3.27Å; R92-D426 IonicContact NE-OD2 2.78Å; R92-D426 PolarHBondContact NE-OD2 3.5Å; R92-D426 IonicContact NH2-OD2 3.34Å; R92-D426 PolarHBondContact NH2-OD2 3.34Å; R92-I429 HydrophobicContact CG-CD1 4.21Å
93	L	97.6	Very high	95.5	Very high	7 Å²	7	52.9 Å²	52.9	4%	0.037	27%	0.266	C	S	.	.	H	α-helix	trans	-61.8	-45.2	178.7	-176.8	59.6	0	0	0	111.5	Y89 A90 Q95 M96 R97 V129 D172 E173 V193	Y89-L93 WeakPolarHBondContact O-CB 3.38Å; Y89-L93 PolarHBondContact O-N 2.83Å; A90-L93 PolarHBondContact O-N 3.47Å; L93-Q95 VanDerWaalsContact C-N 3.33Å; L93-Q95 PolarHBondContact O-N 3.37Å; L93-M96 PolarHBondContact O-N 3.02Å; L93-R97 VanDerWaalsContact O-CB 3.23Å; L93-R97 WeakPolarHBondContact O-CB 3.49Å; L93-R97 PolarHBondContact O-N 3.32Å; L93-V129 HydrophobicContact CD1-CG1 4.23Å; L93-D172 WeakPolarHBondContact CD2-OD1 3.43Å; L93-E173 HydrophobicContact CD2-CG 4.25Å; L93-V193 HydrophobicContact CD1-CG1 3.71Å
94	I	97.1	Very high	95.9	Very high	107 Å²	107	49.1 Å²	49.1	55%	0.549	25%	0.252	S	S	.	.	H	α-helix	trans	-59.3	-43	177.1	-69.5	165.1	0	0	0	111.4	A90 T91 R92 P98	A90-I94 WeakPolarHBondContact O-CB 3.28Å; A90-I94 WeakPolarHBondContact O-CD1 3.49Å; A90-I94 WeakPolarHBondContact O-CG1 3.15Å; A90-I94 PolarHBondContact O-N 3Å; T91-I94 PolarHBondContact O-N 3.05Å; R92-I94 PolarHBondContact O-N 3.33Å; I94-P98 WeakPolarHBondContact O-CD 3.38Å
95	Q	97.8	Very high	96.1	Very high	49 Å²	49	46.5 Å²	46.5	23%	0.229	24%	0.24	C	C	.	.	H	α-helix	trans	-73.8	-35.2	-179	-70.9	-176.2	2.4	0	0	113	T91 R92 L93 F99 I429	T91-Q95 HydrophobicContact CG2-CG 4.43Å; T91-Q95 WeakPolarHBondContact O-CB 3.37Å; T91-Q95 VanDerWaalsContact O-CG 3.3Å; T91-Q95 WeakPolarHBondContact O-CG 3.22Å; T91-Q95 PolarHBondContact O-N 3.21Å; R92-Q95 PolarHBondContact O-N 3.08Å; L93-Q95 VanDerWaalsContact C-N 3.33Å; L93-Q95 PolarHBondContact O-N 3.37Å; Q95-F99 WeakPolarHBondContact O-CD2 3.29Å; Q95-F99 VanDerWaalsContact O-CE2 3.29Å; Q95-F99 WeakPolarHBondContact O-CE2 3.5Å; Q95-I429 HydrophobicContact CB-CD1 3.73Å
96	M	98.3	Very high	96.1	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.01	25%	0.247	C	C	.	.	H	α-helix	trans	-81.4	-26.9	-178.1	-71	-67.7	-72.7	0	0	113.3	R92 L93 F99 L100 V193 A214 V406 R407 I429	R92-M96 HydrophobicContact CG-CG 4.25Å; R92-M96 VanDerWaalsContact O-CB 3.27Å; R92-M96 WeakPolarHBondContact O-CB 3.41Å; R92-M96 WeakPolarHBondContact O-CG 3.46Å; R92-M96 PolarHBondContact O-N 3.48Å; L93-M96 PolarHBondContact O-N 3.02Å; M96-F99 WeakPolarHBondContact O-CB 3.48Å; M96-F99 PolarHBondContact O-N 2.72Å; M96-F99 VanDerWaalsContact O-N 3.11Å; M96-F99 HydrophobicContact SD-CD2 4.13Å; M96-L100 HydrophobicContact CB-CD1 4.28Å; M96-L100 PolarHBondContact O-N 3.31Å; M96-L100 VanDerWaalsContact O-N 3.09Å; M96-V193 HydrophobicContact CB-CB 4.14Å; M96-V193 HydrophobicContact CB-CG1 3.93Å; M96-V193 HydrophobicContact CB-CG2 4.44Å; M96-V193 HydrophobicContact CE-CB 4.47Å; M96-V193 HydrophobicContact CG-CB 4.34Å; M96-V193 HydrophobicContact CG-CG2 4.32Å; M96-A214 HydrophobicContact CE-CB 3.71Å; M96-V406 WeakPolarHBondContact CE-O 3.25Å; M96-R407 HydrophobicContact CE-CB 4.15Å; M96-I429 HydrophobicContact CG-CD1 3.89Å; M96-I429 HydrophobicContact CG-CG1 4.38Å; M96-I429 HydrophobicContact SD-CD1 4.15Å; M96-I429 HydrophobicContact SD-CG1 4.12Å; M96-I429 HydrophobicContact SD-CG2 3.84Å
97	R	97.9	Very high	96.4	Very high	31 Å²	31	49.3 Å²	49.3	12%	0.117	25%	0.245	C	C	.	.	H	α-helix	trans	-53.9	-49.8	-175.3	-179.9	-176.5	-60.9	-86.2	3.1	113.3	L93 F99 L100 E101 V129 D172 E173	L93-R97 VanDerWaalsContact O-CB 3.23Å; L93-R97 WeakPolarHBondContact O-CB 3.49Å; L93-R97 PolarHBondContact O-N 3.32Å; R97-F99 VanDerWaalsContact C-N 3.26Å; R97-F99 PolarHBondContact O-N 2.77Å; R97-L100 PolarHBondContact O-N 3.45Å; R97-E101 WeakPolarHBondContact CD-OE1 3.46Å; R97-E101 HydrophobicContact CG-CG 4.13Å; R97-E101 WeakPolarHBondContact CG-OE1 3.3Å; R97-E101 WeakPolarHBondContact O-CB 3.27Å; R97-E101 WeakPolarHBondContact O-CG 3.34Å; R97-E101 PolarHBondContact O-N 3.04Å; R97-V129 HydrophobicContact CB-CG1 4.43Å; R97-V129 HydrophobicContact CG-CG1 4.43Å; R97-D172 IonicContact CZ-OD1 2.79Å; R97-D172 IonicContact NH2-OD1 3.26Å; R97-D172 PolarHBondContact NH2-OD1 3.26Å; R97-D172 IonicContact NH2-OD2 3.99Å; R97-E173 IonicContact CZ-OE1 2.65Å; R97-E173 IonicContact NE-OE1 3.6Å; R97-E173 IonicContact NH2-OE1 2.66Å; R97-E173 PolarHBondContact NH2-OE1 3.05Å; R97-E173 IonicContact NH2-OE2 3.27Å
98	P	97.4	Very high	96.6	Very high	72 Å²	72	47.2 Å²	47.2	47%	0.468	23%	0.233	S	C	.	.	H	α-helix	trans	-61.2	-32.7	179.4	-23.4	34.4	0	0	0	113.7	I94 N102	I94-P98 WeakPolarHBondContact O-CD 3.38Å; P98-N102 WeakPolarHBondContact O-CB 3.45Å; P98-N102 PolarHBondContact O-N 3.27Å
99	F	97.4	Very high	96.6	Very high	61 Å²	61	48.8 Å²	48.8	27%	0.268	25%	0.249	S	C	.	.	H	α-helix	trans	-70.8	-44.1	178.4	-52.8	-39.2	0	0	0	111.2	Q95 M96 R97 N102 R103 A214 I429	Q95-F99 WeakPolarHBondContact O-CD2 3.29Å; Q95-F99 VanDerWaalsContact O-CE2 3.29Å; Q95-F99 WeakPolarHBondContact O-CE2 3.5Å; M96-F99 WeakPolarHBondContact O-CB 3.48Å; M96-F99 PolarHBondContact O-N 2.72Å; M96-F99 VanDerWaalsContact O-N 3.11Å; M96-F99 HydrophobicContact SD-CD2 4.13Å; R97-F99 VanDerWaalsContact C-N 3.26Å; R97-F99 PolarHBondContact O-N 2.77Å; F99-N102 PolarHBondContact O-N 2.91Å; F99-R103 WeakPolarHBondContact O-CG 3.27Å; F99-R103 PolarHBondContact O-N 3.12Å; F99-A214 HydrophobicContact CB-CB 4.1Å; F99-I429 HydrophobicContact CE2-CG2 4.38Å
100	L	98.1	Very high	96.3	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-71.1	-38.2	-179.6	-73.9	165.7	0	0	0	112.4	M96 R97 N102 R103 A104 V129 V193 A195 F213 A214	M96-L100 HydrophobicContact CB-CD1 4.28Å; M96-L100 PolarHBondContact O-N 3.31Å; M96-L100 VanDerWaalsContact O-N 3.09Å; R97-L100 PolarHBondContact O-N 3.45Å; L100-N102 VanDerWaalsContact C-N 3.35Å; L100-R103 PolarHBondContact O-N 2.76Å; L100-A104 WeakPolarHBondContact O-CB 3.4Å; L100-A104 PolarHBondContact O-N 3.16Å; L100-V129 HydrophobicContact CB-CG1 3.98Å; L100-V129 HydrophobicContact CB-CG2 4.01Å; L100-V129 HydrophobicContact CD1-CG1 3.68Å; L100-V129 HydrophobicContact CG-CG1 4.49Å; L100-V193 HydrophobicContact CD1-CB 4.07Å; L100-V193 HydrophobicContact CD1-CG1 3.48Å; L100-V193 VanDerWaalsContact CD1-CG1 3.48Å; L100-A195 HydrophobicContact CB-CB 4.43Å; L100-A195 HydrophobicContact CD2-CB 4.46Å; L100-F213 VanDerWaalsContact CD2-C 3.49Å; L100-A214 HydrophobicContact CD2-CB 4.09Å; L100-A214 VanDerWaalsContact CD2-N 3.34Å; L100-A214 HydrophobicContact CG-CB 4.28Å
101	E	97.3	Very high	96.1	Very high	60 Å²	60	53.1 Å²	53.1	28%	0.28	30%	0.297	S	S	.	.	H	α-helix	trans	-62.1	-43.4	174.3	-72.8	176.8	176.8	0	0	111.4	R97 A104 Q105 V114 V129	R97-E101 WeakPolarHBondContact CD-OE1 3.46Å; R97-E101 HydrophobicContact CG-CG 4.13Å; R97-E101 WeakPolarHBondContact CG-OE1 3.3Å; R97-E101 WeakPolarHBondContact O-CB 3.27Å; R97-E101 WeakPolarHBondContact O-CG 3.34Å; R97-E101 PolarHBondContact O-N 3.04Å; E101-A104 PolarHBondContact O-N 3.36Å; E101-Q105 WeakPolarHBondContact O-CG 3.23Å; E101-Q105 PolarHBondContact O-N 2.91Å; E101-V114 HydrophobicContact CG-CG1 4.06Å; E101-V114 HydrophobicContact CG-CG2 4.4Å; E101-V129 HydrophobicContact CG-CG2 4.19Å
102	N	95.8	Very high	95.9	Very high	82 Å²	82	53.1 Å²	53.1	44%	0.439	30%	0.297	S	S	.	.	H	α-helix	trans	-64.7	-46.3	176.6	-167.5	-31.4	0	0	0	111.3	P98 F99 L100 A104 Q105 Q106	P98-N102 WeakPolarHBondContact O-CB 3.45Å; P98-N102 PolarHBondContact O-N 3.27Å; F99-N102 PolarHBondContact O-N 2.91Å; L100-N102 VanDerWaalsContact C-N 3.35Å; N102-A104 PolarHBondContact O-N 3.04Å; N102-Q105 PolarHBondContact O-N 2.89Å; N102-Q106 WeakPolarHBondContact O-CG 3.24Å; N102-Q106 PolarHBondContact O-N 3.4Å; N102-Q106 PolarHBondContact OD1-NE2 3.17Å
103	R	95.7	Very high	95.7	Very high	28 Å²	28	54.8 Å²	54.8	11%	0.106	31%	0.314	C	S	.	.	H	α-helix	trans	-62.2	-40.6	176	-72.7	-66.9	-175.8	-148.4	-3.8	112.4	F99 L100 Q105 Q106 H107 A214 E454	F99-R103 WeakPolarHBondContact O-CG 3.27Å; F99-R103 PolarHBondContact O-N 3.12Å; L100-R103 PolarHBondContact O-N 2.76Å; R103-Q105 PolarHBondContact O-N 2.96Å; R103-Q106 PolarHBondContact O-N 2.78Å; R103-H107 VanDerWaalsContact O-CB 3.28Å; R103-H107 WeakPolarHBondContact O-CB 3.17Å; R103-H107 PolarHBondContact O-N 3.36Å; R103-A214 WeakPolarHBondContact CG-O 3.29Å; R103-A214 PolarHBondContact NE-O 2.74Å; R103-A214 VanDerWaalsContact NE-O 3.16Å; R103-E454 IonicContact CZ-OE1 2.73Å; R103-E454 IonicContact NH1-OE1 3.11Å; R103-E454 IonicContact NH2-OE1 2.88Å; R103-E454 PolarHBondContact NH2-OE1 2.98Å
104	A	97.1	Very high	95.6	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-61.4	-42.9	175.5	0	0	0	0	0	112	L100 E101 N102 Q106 H107 W108 A195	L100-A104 WeakPolarHBondContact O-CB 3.4Å; L100-A104 PolarHBondContact O-N 3.16Å; E101-A104 PolarHBondContact O-N 3.36Å; N102-A104 PolarHBondContact O-N 3.04Å; A104-Q106 VanDerWaalsContact C-N 3.35Å; A104-Q106 PolarHBondContact O-N 2.95Å; A104-H107 PolarHBondContact O-N 3.14Å; A104-W108 HydrophobicContact CB-CE3 3.71Å; A104-W108 HydrophobicContact CB-CZ3 3.69Å; A104-W108 PolarHBondContact O-N 2.91Å; A104-A195 HydrophobicContact CB-CB 4.23Å
105	Q	96.2	Very high	95.6	Very high	93 Å²	93	53.5 Å²	53.5	44%	0.435	31%	0.308	S	S	.	.	H	α-helix	trans	-65.2	-36.7	175.6	-72.7	173.8	6.7	0	0	112.7	E101 N102 R103 G109 V112	E101-Q105 WeakPolarHBondContact O-CG 3.23Å; E101-Q105 PolarHBondContact O-N 2.91Å; N102-Q105 PolarHBondContact O-N 2.89Å; R103-Q105 PolarHBondContact O-N 2.96Å; Q105-G109 CarbonylContact O-C 3.59Å; Q105-G109 WeakPolarHBondContact O-CA 3.32Å; Q105-G109 PolarHBondContact O-N 3Å; Q105-V112 HydrophobicContact CG-CG1 4.13Å
106	Q	94.3	Very high	95.5	Very high	117 Å²	117	54.6 Å²	54.6	55%	0.547	31%	0.312	S	S	.	.	H	α-helix	trans	-69.7	-39.3	174.8	-68	174	10.6	0	0	112	N102 R103 A104	N102-Q106 WeakPolarHBondContact O-CG 3.24Å; N102-Q106 PolarHBondContact O-N 3.4Å; N102-Q106 PolarHBondContact OD1-NE2 3.17Å; R103-Q106 PolarHBondContact O-N 2.78Å; A104-Q106 VanDerWaalsContact C-N 3.35Å; A104-Q106 PolarHBondContact O-N 2.95Å
107	H	96.3	Very high	95.4	Very high	108 Å²	108	55 Å²	55	50%	0.5	31%	0.314	S	S	.	.	H	α-helix	trans	-81	-42.7	-173.9	-168.3	-162.8	0	0	0	113	R103 A104 D210	R103-H107 VanDerWaalsContact O-CB 3.28Å; R103-H107 WeakPolarHBondContact O-CB 3.17Å; R103-H107 PolarHBondContact O-N 3.36Å; A104-H107 PolarHBondContact O-N 3.14Å; H107-D210 IonicContact CE1-OD2 3.66Å; H107-D210 PolarHBondContact CE1-OD2 2.81Å; H107-D210 VanDerWaalsContact CE1-OD2 3.27Å; H107-D210 IonicContact ND1-OD2 2.71Å; H107-D210 IonicContact NE2-OD2 3.75Å
108	W	96.9	Very high	95.2	Very high	55 Å²	55	56.5 Å²	56.5	21%	0.208	33%	0.329	C	S	.	.	H	α-helix	trans	-107.5	-0.2	-176.6	-58.1	-43.6	0	0	0	114	A104 V112 C127 A195 F197 D210	A104-W108 HydrophobicContact CB-CE3 3.71Å; A104-W108 HydrophobicContact CB-CZ3 3.69Å; A104-W108 PolarHBondContact O-N 2.91Å; W108-V112 HydrophobicContact CB-CB 4.16Å; W108-V112 HydrophobicContact CB-CG2 4.11Å; W108-V112 HydrophobicContact CE3-CG2 4.08Å; W108-C127 HydrophobicContact CE3-CB 4.24Å; W108-C127 HydrophobicContact CZ3-CB 4.01Å; W108-A195 HydrophobicContact CH2-CB 4.15Å; W108-A195 HydrophobicContact CZ3-CB 4.06Å; W108-F197 HydrophobicContact CD2-CB 3.93Å; W108-F197 HydrophobicContact CD2-CD2 4.48Å; W108-F197 HydrophobicContact CD2-CG 4.29Å; W108-F197 HydrophobicContact CE3-CB 4Å; W108-F197 HydrophobicContact CE3-CD2 4.45Å; W108-F197 HydrophobicContact CH2-CB 3.58Å; W108-F197 HydrophobicContact CZ2-CB 3.5Å; W108-F197 HydrophobicContact CZ3-CB 3.84Å; W108-D210 HydrophobicContact CZ2-CB 4.13Å; W108-D210 PolarHBondContact NE1-OD2 2.92Å
109	G	94.9	Very high	95.1	Very high	32 Å²	32	57.8 Å²	57.8	33%	0.33	33%	0.328	S	S	.	.			trans	93.6	159.7	178.8	0	0	0	0	0	114	Q105 G111 V112	Q105-G109 CarbonylContact O-C 3.59Å; Q105-G109 WeakPolarHBondContact O-CA 3.32Å; Q105-G109 PolarHBondContact O-N 3Å; G109-G111 PolarHBondContact O-N 3.13Å; G109-V112 WeakPolarHBondContact O-CG1 3.23Å; G109-V112 PolarHBondContact O-N 2.85Å; G109-V112 VanDerWaalsContact O-N 3.09Å
110	S	89.1	Confident	95	Very high	118 Å²	118	56.3 Å²	56.3	83%	0.825	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-15.1	-174	61.9	0	0	0	0	114.8
111	G	88.9	Confident	94.8	Very high	75 Å²	75	61.9 Å²	61.9	77%	0.773	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	1.3	177.4	0	0	0	0	0	114.4	G109 G113	G109-G111 PolarHBondContact O-N 3.13Å; G111-G113 PolarHBondContact O-N 3.48Å
112	V	92.6	Very high	94.7	Very high	18 Å²	18	63.8 Å²	63.8	11%	0.109	37%	0.366	C	S	.	.			trans	-65.7	119.4	-179.6	71.9	0	0	0	0	110.6	Q105 W108 G109 V114 C127 F197	Q105-V112 HydrophobicContact CG-CG1 4.13Å; W108-V112 HydrophobicContact CB-CB 4.16Å; W108-V112 HydrophobicContact CB-CG2 4.11Å; W108-V112 HydrophobicContact CE3-CG2 4.08Å; G109-V112 WeakPolarHBondContact O-CG1 3.23Å; G109-V112 PolarHBondContact O-N 2.85Å; G109-V112 VanDerWaalsContact O-N 3.09Å; V112-V114 PolarHBondContact O-N 3.42Å; V112-V114 VanDerWaalsContact O-N 3.12Å; V112-C127 HydrophobicContact CG2-CB 3.64Å; V112-F197 HydrophobicContact CG2-CD2 4.01Å; V112-F197 HydrophobicContact CG2-CE2 4.11Å
113	G	93.8	Very high	94.6	Very high	36 Å²	36	62.4 Å²	62.4	37%	0.371	37%	0.372	S	S	.	.			trans	-75.2	99.9	178.3	0	0	0	0	0	110.8	G111 C126 C127	G111-G113 PolarHBondContact O-N 3.48Å; G113-C126 WeakPolarHBondContact O-CA 3.2Å; G113-C126 WeakPolarHBondContact O-CB 3.37Å; G113-C127 PolarHBondContact O-N 3.43Å
114	V	95.8	Very high	94.6	Very high	44 Å²	44	64 Å²	64	27%	0.267	38%	0.381	S	S	.	.	B	Isolated β-bridge	trans	-76.2	123.1	169.8	-175.9	0	0	0	0	108.7	E101 V112 C127	E101-V114 HydrophobicContact CG-CG1 4.06Å; E101-V114 HydrophobicContact CG-CG2 4.4Å; V112-V114 PolarHBondContact O-N 3.42Å; V112-V114 VanDerWaalsContact O-N 3.12Å; V114-C127 CarbonylContact C-O 3.56Å; V114-C127 WeakPolarHBondContact CA-O 3.35Å; V114-C127 HydrophobicContact CG2-CB 4.29Å
115	K	96	Very high	94.5	Very high	42 Å²	42	69.6 Å²	69.6	18%	0.183	41%	0.405	C	S	.	.			trans	-129.2	152.4	-179.9	-68.5	-163.8	177.8	-167.8	0	111.7	E119 L120 E124 C126 C127	K115-E119 HydrophobicContact CB-CB 4.33Å; K115-E119 HydrophobicContact CD-CB 4.34Å; K115-L120 HydrophobicContact CB-CD2 4.28Å; K115-E124 VanDerWaalsContact CE-OE1 3.28Å; K115-E124 WeakPolarHBondContact CE-OE1 3.48Å; K115-E124 IonicContact NZ-OE1 3.82Å; K115-E124 PolarHBondContact NZ-OE1 3.48Å; K115-E124 IonicContact NZ-OE2 3.27Å; K115-E124 PolarHBondContact NZ-OE2 2.71Å; K115-C126 HydrophobicContact CB-CB 4.49Å; K115-C126 HydrophobicContact CD-CB 4.28Å; K115-C126 HydrophobicContact CG-CB 4.27Å; K115-C127 PolarHBondContact N-O 2.84Å
116	K	95.8	Very high	94.6	Very high	73 Å²	73	65.3 Å²	65.3	32%	0.317	39%	0.385	S	S	.	.			trans	-75.7	158.6	166.1	-65.8	-169.3	172.6	-136.9	0	110.7	C118 E119 E173	K116-C118 PolarHBondContact O-N 3.22Å; K116-E119 HydrophobicContact CB-CG 4.28Å; K116-E119 PolarHBondContact N-OE2 2.93Å; K116-E119 PolarHBondContact O-N 2.78Å; K116-E173 IonicContact NZ-OE2 2.64Å; K116-E173 PolarHBondContact NZ-OE2 3.06Å
117	L	95.8	Very high	94.8	Very high	11 Å²	11	59.7 Å²	59.7	6%	0.058	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-57.6	-33	178.7	-75.3	-178.7	0	0	0	113.6	E119 L120 V128 D172 Q175 I177	L117-E119 VanDerWaalsContact C-N 3.27Å; L117-E119 PolarHBondContact O-N 2.82Å; L117-L120 HydrophobicContact CD2-CD1 3.76Å; L117-L120 WeakPolarHBondContact O-CG 3.42Å; L117-V128 HydrophobicContact CD2-CG1 3.65Å; L117-V128 HydrophobicContact CD2-CG2 4.49Å; L117-V128 HydrophobicContact CG-CG1 4.01Å; L117-D172 HydrophobicContact CB-CB 4.29Å; L117-D172 HydrophobicContact CD1-CB 3.63Å; L117-D172 HydrophobicContact CG-CB 3.87Å; L117-Q175 HydrophobicContact CB-CB 4.23Å; L117-Q175 VanDerWaalsContact CD1-O 3.27Å; L117-Q175 WeakPolarHBondContact CD1-O 3.39Å; L117-I177 HydrophobicContact CD1-CG2 4.3Å; L117-I177 HydrophobicContact CD2-CB 4.27Å; L117-I177 HydrophobicContact CD2-CG2 3.45Å; L117-I177 VanDerWaalsContact CD2-CG2 3.45Å
118	C	94.9	Very high	94.9	Very high	62 Å²	62	54.6 Å²	54.6	42%	0.419	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-75	-11.7	179.1	56.5	0	0	0	0	114.5	K116	K116-C118 PolarHBondContact O-N 3.22Å
119	E	95.3	Very high	94.9	Very high	99 Å²	99	52 Å²	52	46%	0.463	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-101.2	1.6	-175.7	-63.5	165.8	177.3	0	0	112.5	K115 K116 L117	K115-E119 HydrophobicContact CB-CB 4.33Å; K115-E119 HydrophobicContact CD-CB 4.34Å; K116-E119 HydrophobicContact CB-CG 4.28Å; K116-E119 PolarHBondContact N-OE2 2.93Å; K116-E119 PolarHBondContact O-N 2.78Å; L117-E119 VanDerWaalsContact C-N 3.27Å; L117-E119 PolarHBondContact O-N 2.82Å
120	L	94.9	Very high	95.1	Very high	29 Å²	29	50.4 Å²	50.4	15%	0.152	31%	0.309	C	S	.	.			trans	-70.2	133.1	-175.7	-61	-178.9	0	0	0	111.7	K115 L117 C126 V128 I177 V200 F206	K115-L120 HydrophobicContact CB-CD2 4.28Å; L117-L120 HydrophobicContact CD2-CD1 3.76Å; L117-L120 WeakPolarHBondContact O-CG 3.42Å; L120-C126 WeakPolarHBondContact CD2-SG 3.33Å; L120-V128 HydrophobicContact CD1-CG2 4.41Å; L120-V128 HydrophobicContact CD2-CG2 3.78Å; L120-I177 HydrophobicContact CD1-CD1 4.25Å; L120-V200 HydrophobicContact CB-CG2 3.73Å; L120-V200 HydrophobicContact CD1-CG2 3.62Å; L120-V200 HydrophobicContact CG-CG2 4.24Å; L120-F206 HydrophobicContact CD1-CD2 4.09Å; L120-F206 HydrophobicContact CD1-CE2 4.27Å; L120-F206 HydrophobicContact CD2-CE2 4.42Å
121	Q	94.1	Very high	95.5	Very high	117 Å²	117	45.4 Å²	45.4	55%	0.547	27%	0.274	S	S	.	.			trans	-108.6	139	173.3	-57.6	-177.9	10.4	0	0	110	G123 E124	Q121-G123 PolarHBondContact O-N 2.82Å; Q121-E124 HydrophobicContact CB-CB 4.05Å; Q121-E124 WeakPolarHBondContact CB-OE2 3.46Å; Q121-E124 WeakPolarHBondContact O-CB 3.4Å; Q121-E124 PolarHBondContact O-N 3.11Å; Q121-E124 VanDerWaalsContact O-N 3.15Å
122	P	94.7	Very high	96	Very high	100 Å²	100	41.9 Å²	41.9	65%	0.649	24%	0.237	S	C	*	.	B	Isolated β-bridge	trans	-54.2	130.2	176.7	-26.7	35.1	0	0	0	112.2	E124	P122-E124 PolarHBondContact O-N 2.87Å
123	G	92.8	Very high	96.2	Very high	53 Å²	53	44.2 Å²	44.2	55%	0.546	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	-7.7	179.6	0	0	0	0	0	116.3	Q121 V200	Q121-G123 PolarHBondContact O-N 2.82Å; G123-V200 PolarHBondContact N-O 3.05Å
124	E	95.8	Very high	96.4	Very high	63 Å²	63	42.5 Å²	42.5	29%	0.294	23%	0.228	S	C	.	.			trans	-77.7	130.4	177.2	-173.6	-174.4	-166.2	0	0	111.2	K115 Q121 P122 S199	K115-E124 VanDerWaalsContact CE-OE1 3.28Å; K115-E124 WeakPolarHBondContact CE-OE1 3.48Å; K115-E124 IonicContact NZ-OE1 3.82Å; K115-E124 PolarHBondContact NZ-OE1 3.48Å; K115-E124 IonicContact NZ-OE2 3.27Å; K115-E124 PolarHBondContact NZ-OE2 2.71Å; Q121-E124 HydrophobicContact CB-CB 4.05Å; Q121-E124 WeakPolarHBondContact CB-OE2 3.46Å; Q121-E124 WeakPolarHBondContact O-CB 3.4Å; Q121-E124 PolarHBondContact O-N 3.11Å; Q121-E124 VanDerWaalsContact O-N 3.15Å; P122-E124 PolarHBondContact O-N 2.87Å; E124-S199 WeakPolarHBondContact O-CA 3.47Å; E124-S199 WeakPolarHBondContact O-CB 3.48Å
125	K	96.5	Very high	96.5	Very high	117 Å²	117	42 Å²	42	51%	0.509	23%	0.229	S	C	.	.			trans	-80.9	124.8	173.3	-67.7	-162.2	177.8	-159.1	0	110.9	F197 G198 E209	K125-F197 HydrophobicContact CB-CE2 4.36Å; K125-F197 HydrophobicContact CB-CZ 3.98Å; K125-F197 HydrophobicContact CD-CE1 4.21Å; K125-F197 HydrophobicContact CD-CZ 4.04Å; K125-G198 CarbonylContact C-O 3.56Å; K125-G198 WeakPolarHBondContact CA-O 3.41Å; K125-E209 WeakPolarHBondContact CE-OE1 2.98Å; K125-E209 IonicContact NZ-OE1 2.72Å; K125-E209 PolarHBondContact NZ-OE1 3.3Å; K125-E209 IonicContact NZ-OE2 2.61Å; K125-E209 PolarHBondContact NZ-OE2 3.07Å
126	C	97.4	Very high	96.4	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.014	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	167.5	180	57.1	0	0	0	0	111.6	G113 K115 L120 F197 G198	G113-C126 WeakPolarHBondContact O-CA 3.2Å; G113-C126 WeakPolarHBondContact O-CB 3.37Å; K115-C126 HydrophobicContact CB-CB 4.49Å; K115-C126 HydrophobicContact CD-CB 4.28Å; K115-C126 HydrophobicContact CG-CB 4.27Å; L120-C126 WeakPolarHBondContact CD2-SG 3.33Å; C126-F197 WeakPolarHBondContact O-CA 3.46Å; C126-F197 WeakPolarHBondContact O-CD2 3.46Å; C126-G198 PolarHBondContact N-O 3.33Å; C126-G198 PolarHBondContact O-N 3.17Å
127	C	97.9	Very high	96.2	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	135	170.4	166.7	0	0	0	0	109.4	W108 V112 G113 V114 K115 V196	W108-C127 HydrophobicContact CE3-CB 4.24Å; W108-C127 HydrophobicContact CZ3-CB 4.01Å; V112-C127 HydrophobicContact CG2-CB 3.64Å; G113-C127 PolarHBondContact O-N 3.43Å; V114-C127 CarbonylContact C-O 3.56Å; V114-C127 WeakPolarHBondContact CA-O 3.35Å; V114-C127 HydrophobicContact CG2-CB 4.29Å; K115-C127 PolarHBondContact N-O 2.84Å; C127-V196 CarbonylContact C-O 3.48Å; C127-V196 VanDerWaalsContact CA-O 3.29Å; C127-V196 WeakPolarHBondContact CA-O 3.39Å
128	V	98.1	Very high	96	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	132.2	172.9	-174.5	0	0	0	0	109.2	L117 L120 L170 A195 V196 F206	L117-V128 HydrophobicContact CD2-CG1 3.65Å; L117-V128 HydrophobicContact CD2-CG2 4.49Å; L117-V128 HydrophobicContact CG-CG1 4.01Å; L120-V128 HydrophobicContact CD1-CG2 4.41Å; L120-V128 HydrophobicContact CD2-CG2 3.78Å; V128-L170 HydrophobicContact CB-CD2 4.08Å; V128-L170 HydrophobicContact CG1-CD2 3.7Å; V128-A195 CarbonylContact O-C 3.58Å; V128-A195 WeakPolarHBondContact O-CA 3.48Å; V128-V196 HydrophobicContact CB-CG2 4.06Å; V128-V196 PolarHBondContact N-O 2.91Å; V128-V196 PolarHBondContact O-N 2.8Å; V128-F206 HydrophobicContact CG2-CE2 3.89Å; V128-F206 HydrophobicContact CG2-CZ 4.13Å
129	V	98.4	Very high	95.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	126.8	171.2	178.3	0	0	0	0	108.9	L93 R97 L100 E101 V193 A195	L93-V129 HydrophobicContact CD1-CG1 4.23Å; R97-V129 HydrophobicContact CB-CG1 4.43Å; R97-V129 HydrophobicContact CG-CG1 4.43Å; L100-V129 HydrophobicContact CB-CG1 3.98Å; L100-V129 HydrophobicContact CB-CG2 4.01Å; L100-V129 HydrophobicContact CD1-CG1 3.68Å; L100-V129 HydrophobicContact CG-CG1 4.49Å; E101-V129 HydrophobicContact CG-CG2 4.19Å; V129-V193 HydrophobicContact CG1-CG1 4.41Å; V129-A195 HydrophobicContact CG2-CB 4.09Å
130	G	98.2	Very high	95.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	177.4	-178.8	0	0	0	0	0	113	E171 V193 L194	G130-E171 CarbonylContact C-O 3.56Å; G130-E171 WeakPolarHBondContact CA-O 3.46Å; G130-V193 WeakPolarHBondContact O-CA 3.35Å; G130-V193 WeakPolarHBondContact O-CG1 3.48Å; G130-L194 PolarHBondContact N-O 3.08Å; G130-L194 PolarHBondContact O-N 2.95Å; G130-L194 VanDerWaalsContact O-N 3.14Å
131	T	98.4	Very high	94.9	Very high	12 Å²	12	39.4 Å²	39.4	7%	0.074	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	132.4	177.6	-52.8	0	0	0	0	109.6	Y89 E171 V193	Y89-T131 HydrophobicContact CD1-CG2 4.24Å; T131-E171 PolarHBondContact N-O 3.35Å; T131-E171 PolarHBondContact O-N 2.83Å; T131-V193 HydrophobicContact CG2-CG2 4.44Å
132	L	98.4	Very high	94.4	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	135.8	173.8	-71	174.9	0	0	0	111.4	L168 V169 L170 L179 L188 T190 G191 T192 L194	L132-L168 HydrophobicContact CD2-CB 4.4Å; L132-V169 WeakPolarHBondContact CA-O 3.4Å; L132-L170 HydrophobicContact CD2-CD1 4.12Å; L132-L179 HydrophobicContact CD2-CD1 3.57Å; L132-L188 HydrophobicContact CD1-CB 4.06Å; L132-L188 HydrophobicContact CD1-CD1 3.91Å; L132-L188 HydrophobicContact CD1-CD2 3.98Å; L132-L188 HydrophobicContact CD1-CG 4.21Å; L132-T190 WeakPolarHBondContact O-CA 3.36Å; L132-G191 PolarHBondContact O-N 2.84Å; L132-T192 PolarHBondContact N-O 2.94Å; L132-L194 HydrophobicContact CD1-CD1 4Å; L132-L194 HydrophobicContact CD1-CD2 3.74Å; L132-L194 HydrophobicContact CD2-CD2 3.95Å; L132-L194 HydrophobicContact CG-CD2 3.46Å; L132-L194 VanDerWaalsContact CG-CD2 3.46Å
133	F	98.1	Very high	93.9	Very high	67 Å²	67	41.4 Å²	41.4	29%	0.294	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	124.5	160	175.1	-100.1	0	0	0	108.2	A135 V169 E171 T190	F133-A135 HydrophobicContact CE1-CB 3.95Å; F133-V169 HydrophobicContact CB-CB 4.41Å; F133-V169 HydrophobicContact CD1-CB 4.38Å; F133-V169 HydrophobicContact CD1-CG2 4.41Å; F133-V169 PolarHBondContact N-O 3.4Å; F133-V169 PolarHBondContact O-N 3.32Å; F133-E171 HydrophobicContact CB-CG 4.22Å; F133-T190 HydrophobicContact CD2-CG2 4.05Å
134	K	98	Very high	93.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	110.7	176.2	-170.1	176.6	171.4	172.5	0	108.7	M136 D166 E167 L168 V185 L188 T190 Y390	K134-M136 HydrophobicContact CB-CG 4.3Å; K134-M136 HydrophobicContact CB-SD 4.46Å; K134-M136 HydrophobicContact CD-CG 3.98Å; K134-M136 HydrophobicContact CD-SD 3.79Å; K134-M136 HydrophobicContact CG-CG 3.67Å; K134-M136 HydrophobicContact CG-SD 4.06Å; K134-M136 PolarHBondContact O-N 3.38Å; K134-D166 WeakPolarHBondContact CE-OD2 3.41Å; K134-D166 HydrophobicContact CG-CB 4.43Å; K134-D166 IonicContact NZ-OD2 3.15Å; K134-E167 CarbonylContact C-O 3.58Å; K134-E167 WeakPolarHBondContact CA-O 3.49Å; K134-L168 HydrophobicContact CB-CD2 3.93Å; K134-L168 HydrophobicContact CD-CD2 4.37Å; K134-L168 HydrophobicContact CG-CD2 3.94Å; K134-V185 VanDerWaalsContact CE-O 3.25Å; K134-V185 WeakPolarHBondContact CE-O 3.45Å; K134-V185 PolarHBondContact NZ-O 3.2Å; K134-L188 WeakPolarHBondContact CD-O 3.36Å; K134-L188 PolarHBondContact NZ-O 2.95Å; K134-T190 WeakPolarHBondContact CB-OG1 3.43Å; K134-T190 PolarHBondContact N-OG1 3.26Å; K134-Y390 PolarHBondContact NZ-O 2.94Å
135	A	96.7	Very high	92.2	Very high	34 Å²	34	48.3 Å²	48.3	28%	0.281	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	110.6	174.7	0	0	0	0	0	108.8	F133 D166 E167	F133-A135 HydrophobicContact CE1-CB 3.95Å; A135-D166 WeakPolarHBondContact O-CA 3.34Å; A135-E167 HydrophobicContact CB-CB 4.46Å; A135-E167 PolarHBondContact N-O 2.85Å; A135-E167 PolarHBondContact O-N 2.97Å; A135-E167 VanDerWaalsContact O-N 3.14Å
136	M	94.8	Very high	91.3	Very high	16 Å²	16	48.4 Å²	48.4	8%	0.079	25%	0.251	C	S	.	.			trans	-118.7	117.8	-173.5	-63.6	176.7	-65.5	0	0	110.1	K134 L138 Q139 Y390	K134-M136 HydrophobicContact CB-CG 4.3Å; K134-M136 HydrophobicContact CB-SD 4.46Å; K134-M136 HydrophobicContact CD-CG 3.98Å; K134-M136 HydrophobicContact CD-SD 3.79Å; K134-M136 HydrophobicContact CG-CG 3.67Å; K134-M136 HydrophobicContact CG-SD 4.06Å; K134-M136 PolarHBondContact O-N 3.38Å; M136-L138 VanDerWaalsContact C-N 3.26Å; M136-L138 PolarHBondContact O-N 3.23Å; M136-Q139 HydrophobicContact CB-CB 3.94Å; M136-Q139 HydrophobicContact CE-CB 4.2Å; M136-Q139 HydrophobicContact CE-CG 4.19Å; M136-Q139 PolarHBondContact O-N 3.24Å; M136-Y390 HydrophobicContact CE-CD1 3.51Å; M136-Y390 HydrophobicContact CE-CE1 3.95Å; M136-Y390 HydrophobicContact CE-CG 4.31Å; M136-Y390 HydrophobicContact SD-CD1 3.64Å; M136-Y390 HydrophobicContact SD-CE1 4.49Å; M136-Y390 HydrophobicContact SD-CG 4.41Å
137	P	91.8	Very high	90.2	Very high	57 Å²	57	52.4 Å²	52.4	37%	0.37	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-27.9	-177.1	26.3	-32	0	0	0	112.9	R144 H163 D166	P137-R144 PolarHBondContact O-NH1 3.01Å; P137-H163 HydrophobicContact CG-CB 3.72Å; P137-D166 VanDerWaalsContact CD-OD1 3.25Å; P137-D166 WeakPolarHBondContact CD-OD1 3.49Å
138	L	91.4	Very high	88.8	Confident	47 Å²	47	57.1 Å²	57.1	25%	0.246	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-5.6	-179.5	-63.6	-176.5	0	0	0	114.1	M136 Y161 H163	M136-L138 VanDerWaalsContact C-N 3.26Å; M136-L138 PolarHBondContact O-N 3.23Å; L138-Y161 WeakPolarHBondContact O-CD1 3.34Å; L138-H163 HydrophobicContact CD1-CB 4.12Å; L138-H163 HydrophobicContact CG-CB 4.19Å
139	Q	90.8	Very high	86.7	Confident	39 Å²	39	64.1 Å²	64.1	18%	0.182	33%	0.334	C	S	.	.	S	Bend	trans	-62.3	131	176.7	-175.5	178.7	13.5	0	0	109.9	M136 Y390 D415	M136-Q139 HydrophobicContact CB-CB 3.94Å; M136-Q139 HydrophobicContact CE-CB 4.2Å; M136-Q139 HydrophobicContact CE-CG 4.19Å; M136-Q139 PolarHBondContact O-N 3.24Å; Q139-Y390 HydrophobicContact CG-CE1 4.29Å; Q139-D415 PolarHBondContact NE2-OD2 3Å; Q139-D415 VanDerWaalsContact NE2-OD2 3.15Å
140	P	86.3	Confident	84.4	Confident	63 Å²	63	72.4 Å²	72.4	41%	0.409	37%	0.373	S	S	.	.			trans	-56.8	140.2	176.4	-24.9	34.4	0	0	0	111.7	Y161	P140-Y161 HydrophobicContact CG-CD1 4.26Å; P140-Y161 HydrophobicContact CG-CE1 3.67Å
141	S	85.1	Confident	82.3	Confident	40 Å²	40	79.7 Å²	79.7	28%	0.28	41%	0.411	S	S	.	.			trans	-134.2	114.5	-179.5	-179.6	0	0	0	0	110.2	L143 R144 E145	S141-L143 PolarHBondContact O-N 3.02Å; S141-R144 PolarHBondContact O-N 2.88Å; S141-E145 WeakPolarHBondContact O-CG 3.28Å; S141-E145 PolarHBondContact O-N 3.4Å
142	I	83.6	Confident	80.3	Confident	123 Å²	123	85 Å²	85	63%	0.631	44%	0.439	S	S	*	.	H	α-helix	trans	-55.9	-37.9	176.8	-60.4	170.6	0	0	0	110.6	E145 I146	I142-E145 PolarHBondContact O-N 3.09Å; I142-I146 HydrophobicContact CG2-CD1 3.6Å; I142-I146 HydrophobicContact CG2-CG1 4.25Å; I142-I146 WeakPolarHBondContact O-CB 3.47Å; I142-I146 VanDerWaalsContact O-CG1 3.23Å; I142-I146 WeakPolarHBondContact O-CG1 3.41Å; I142-I146 PolarHBondContact O-N 3.15Å
143	L	82.4	Confident	78.3	Confident	136 Å²	136	92.4 Å²	92.4	71%	0.712	48%	0.478	S	S	*	.	H	α-helix	trans	-67.3	-39.6	178.9	-67.6	177.9	0	0	0	112.2	S141 S147	S141-L143 PolarHBondContact O-N 3.02Å; L143-S147 WeakPolarHBondContact O-CB 3.49Å; L143-S147 PolarHBondContact O-N 3.37Å; L143-S147 PolarHBondContact O-OG 2.9Å; L143-S147 VanDerWaalsContact O-OG 3.07Å
144	R	78.8	Confident	76.6	Confident	136 Å²	136	94.9 Å²	94.9	51%	0.513	50%	0.501	S	S	.	.	H	α-helix	trans	-64.4	-47.6	174.3	-69.2	-176.7	-178.8	166.6	-0	110.4	P137 S141 I146 S147 E148	P137-R144 PolarHBondContact O-NH1 3.01Å; S141-R144 PolarHBondContact O-N 2.88Å; R144-I146 VanDerWaalsContact C-N 3.31Å; R144-I146 PolarHBondContact O-N 3.27Å; R144-S147 WeakPolarHBondContact CA-OG 3.19Å; R144-S147 PolarHBondContact O-N 2.8Å; R144-S147 PolarHBondContact O-OG 3.23Å; R144-E148 WeakPolarHBondContact O-CB 3.16Å; R144-E148 WeakPolarHBondContact O-CG 3.26Å; R144-E148 PolarHBondContact O-N 2.79Å
145	E	74.4	Confident	74.9	Confident	124 Å²	124	101.8 Å²	101.8	58%	0.579	53%	0.533	S	S	*	.	H	α-helix	trans	-57.1	-40.5	177.4	-70.8	174.2	-164.3	0	0	112.9	S141 I142	S141-E145 WeakPolarHBondContact O-CG 3.28Å; S141-E145 PolarHBondContact O-N 3.4Å; I142-E145 PolarHBondContact O-N 3.09Å
146	I	77.8	Confident	73.5	Confident	119 Å²	119	105 Å²	105	61%	0.61	55%	0.551	S	S	*	*	H	α-helix	trans	-76.2	-39.2	177.5	-66.5	170.8	0	0	0	111.5	I142 R144 E148	I142-I146 HydrophobicContact CG2-CD1 3.6Å; I142-I146 HydrophobicContact CG2-CG1 4.25Å; I142-I146 WeakPolarHBondContact O-CB 3.47Å; I142-I146 VanDerWaalsContact O-CG1 3.23Å; I142-I146 WeakPolarHBondContact O-CG1 3.41Å; I142-I146 PolarHBondContact O-N 3.15Å; R144-I146 VanDerWaalsContact C-N 3.31Å; R144-I146 PolarHBondContact O-N 3.27Å; I146-E148 VanDerWaalsContact C-N 3.35Å
147	S	73.9	Confident	72.5	Confident	86 Å²	86	109.8 Å²	109.8	60%	0.601	58%	0.583	S	S	*	*	H	α-helix	trans	-70.2	-31.2	-178.1	70	0	0	0	0	113.2	L143 R144 E149	L143-S147 WeakPolarHBondContact O-CB 3.49Å; L143-S147 PolarHBondContact O-N 3.37Å; L143-S147 PolarHBondContact O-OG 2.9Å; L143-S147 VanDerWaalsContact O-OG 3.07Å; R144-S147 WeakPolarHBondContact CA-OG 3.19Å; R144-S147 PolarHBondContact O-N 2.8Å; R144-S147 PolarHBondContact O-OG 3.23Å; S147-E149 PolarHBondContact O-N 3.17Å
148	E	69.1	Low	72.3	Confident	100 Å²	100	111.6 Å²	111.6	47%	0.467	58%	0.582	S	S	.	*	S	Bend	trans	-80.9	67.5	173.4	-66	172.2	174.3	0	0	108.6	R144 I146 H150 L152	R144-E148 WeakPolarHBondContact O-CB 3.16Å; R144-E148 WeakPolarHBondContact O-CG 3.26Å; R144-E148 PolarHBondContact O-N 2.79Å; I146-E148 VanDerWaalsContact C-N 3.35Å; E148-H150 PolarHBondContact O-N 2.97Å; E148-L152 HydrophobicContact CB-CD1 3.89Å; E148-L152 HydrophobicContact CG-CD1 4.17Å; E148-L152 WeakPolarHBondContact OE2-CD1 3.49Å
149	E	53.7	Low	72.1	Confident	146 Å²	146	114 Å²	114	68%	0.682	60%	0.603	S	S	*	*			trans	-48.1	121.4	-176.8	-83.5	-174.2	163.8	0	0	113.4	S147 N151	S147-E149 PolarHBondContact O-N 3.17Å; E149-N151 PolarHBondContact O-N 2.93Å
150	H	51.2	Low	72.3	Confident	175 Å²	175	113.4 Å²	113.4	81%	0.81	60%	0.6	S	S	*	*	S	Bend	trans	67.7	-4.6	149.7	-62.3	79.6	0	0	0	121.3	E148	E148-H150 PolarHBondContact O-N 2.97Å
151	N	53.2	Low	72.8	Confident	152 Å²	152	112 Å²	112	81%	0.813	59%	0.586	S	S	*	*			trans	-130.1	3.1	-175.6	-80.3	-38.8	0	0	0	117.1	E149	E149-N151 PolarHBondContact O-N 2.93Å
152	L	55.8	Low	73.3	Confident	123 Å²	123	112.5 Å²	112.5	64%	0.644	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-96.6	122.2	173.9	-67.8	174.7	0	0	0	110.2	E148	E148-L152 HydrophobicContact CB-CD1 3.89Å; E148-L152 HydrophobicContact CG-CD1 4.17Å; E148-L152 WeakPolarHBondContact OE2-CD1 3.49Å
153	L	58.5	Low	73.9	Confident	158 Å²	158	109.9 Å²	109.9	83%	0.827	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-55.3	137.8	166.1	-70.9	167.3	0	0	0	107.9	Q155	L153-Q155 PolarHBondContact O-N 3.3Å; L153-Q155 VanDerWaalsContact O-N 3.12Å
154	P	60.7	Low	74.5	Confident	119 Å²	119	109.3 Å²	109.3	77%	0.773	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-49.6	125.4	173.1	-22.1	30.1	0	0	0	108.7
155	Q	63.6	Low	75.3	Confident	145 Å²	145	108.4 Å²	108.4	68%	0.678	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-60.2	138.6	176.1	-71.1	-150.9	15.9	0	0	108.7	L153	L153-Q155 PolarHBondContact O-N 3.3Å; L153-Q155 VanDerWaalsContact O-N 3.12Å
156	P	66.8	Low	76.4	Confident	102 Å²	102	103.2 Å²	103.2	66%	0.662	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-57.8	139	178.4	23.5	-32.2	0	0	0	109.4	R158	P156-R158 PolarHBondContact O-N 2.84Å
157	P	74.7	Confident	77.3	Confident	116 Å²	116	101.1 Å²	101.1	75%	0.753	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-53.5	131.5	175.5	-23.2	31.7	0	0	0	110.2
158	R	86.3	Confident	78.5	Confident	95 Å²	95	97.1 Å²	97.1	36%	0.358	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-88.4	149.9	176.6	-59.9	-179.6	-179.6	-123.3	-1.5	109.7	P156 K160 Y161	P156-R158 PolarHBondContact O-N 2.84Å; R158-K160 VanDerWaalsContact CB-O 3.3Å; R158-K160 WeakPolarHBondContact CB-O 3.37Å; R158-Y161 HydrophobicContact CB-CD1 4.22Å; R158-Y161 HydrophobicContact CB-CE1 3.94Å; R158-Y161 HydrophobicContact CG-CD1 4.5Å; R158-Y161 HydrophobicContact CG-CE1 4.19Å
159	S	88.5	Confident	79.9	Confident	97 Å²	97	93.3 Å²	93.3	68%	0.678	50%	0.5	S	S	*	.	S	Bend	trans	-67	-41.7	168.7	52.1	0	0	0	0	111.1
160	K	95.1	Very high	82	Confident	27 Å²	27	86.4 Å²	86.4	12%	0.117	47%	0.467	C	S	.	.			trans	-135.7	151.6	175.5	-62.7	-167	169.8	-160.3	0	111.9	R158 I162 F388 R389 S391 M393 E394	R158-K160 VanDerWaalsContact CB-O 3.3Å; R158-K160 WeakPolarHBondContact CB-O 3.37Å; K160-I162 HydrophobicContact CB-CG1 4.36Å; K160-I162 HydrophobicContact CD-CD1 4.43Å; K160-F388 VanDerWaalsContact CE-CZ 3.4Å; K160-F388 VanDerWaalsContact CE-O 3.23Å; K160-F388 WeakPolarHBondContact CE-O 3.37Å; K160-F388 HydrophobicContact CG-CE1 4.18Å; K160-R389 CarbonylContact C-O 3.55Å; K160-R389 VanDerWaalsContact CA-O 3.29Å; K160-R389 WeakPolarHBondContact CA-O 3.46Å; K160-S391 PolarHBondContact NZ-O 3.03Å; K160-M393 PolarHBondContact NZ-O 2.99Å; K160-E394 WeakPolarHBondContact CE-OE1 3.47Å; K160-E394 IonicContact NZ-OE1 3.85Å; K160-E394 PolarHBondContact NZ-OE1 3.15Å; K160-E394 IonicContact NZ-OE2 3.27Å; K160-E394 PolarHBondContact NZ-OE2 3.39Å
161	Y	95	Very high	84.2	Confident	32 Å²	32	80 Å²	80	13%	0.125	44%	0.438	C	S	.	.			trans	-112.8	10.6	-178.5	-64.4	-79	0	0	0	113.4	L138 P140 R158 R389 Y390	L138-Y161 WeakPolarHBondContact O-CD1 3.34Å; P140-Y161 HydrophobicContact CG-CD1 4.26Å; P140-Y161 HydrophobicContact CG-CE1 3.67Å; R158-Y161 HydrophobicContact CB-CD1 4.22Å; R158-Y161 HydrophobicContact CB-CE1 3.94Å; R158-Y161 HydrophobicContact CG-CD1 4.5Å; R158-Y161 HydrophobicContact CG-CE1 4.19Å; Y161-R389 HydrophobicContact CD2-CB 4.12Å; Y161-R389 HydrophobicContact CE2-CB 4.48Å; Y161-R389 PolarHBondContact N-O 2.85Å; Y161-Y390 HydrophobicContact CD2-CD1 4.33Å; Y161-Y390 AromaticContact CD2-CE1 3.7Å; Y161-Y390 HydrophobicContact CD2-CE1 3.7Å; Y161-Y390 HydrophobicContact CD2-CE2 4.44Å; Y161-Y390 AromaticContact CD2-CZ 3.76Å; Y161-Y390 HydrophobicContact CG-CD1 4.43Å; Y161-Y390 AromaticContact CG-CE1 3.84Å; Y161-Y390 HydrophobicContact CG-CE1 3.84Å
162	I	95.6	Very high	86	Confident	52 Å²	52	73.6 Å²	73.6	27%	0.267	40%	0.403	S	S	.	.			trans	-71.6	147.8	175.7	63	176.8	0	0	0	111.7	K160 D166 Y390	K160-I162 HydrophobicContact CB-CG1 4.36Å; K160-I162 HydrophobicContact CD-CD1 4.43Å; I162-D166 WeakPolarHBondContact CA-OD2 3.25Å; I162-Y390 VanDerWaalsContact CG2-C 3.42Å; I162-Y390 WeakPolarHBondContact CG2-O 3.09Å
163	H	96.4	Very high	87.6	Confident	67 Å²	67	71.7 Å²	71.7	31%	0.31	39%	0.392	S	S	.	.			trans	-137.8	149.6	175.6	-165	-100	0	0	0	111.2	P137 L138 D165 D166	P137-H163 HydrophobicContact CG-CB 3.72Å; L138-H163 HydrophobicContact CD1-CB 4.12Å; L138-H163 HydrophobicContact CG-CB 4.19Å; H163-D165 IonicContact CE1-OD2 3.43Å; H163-D165 PolarHBondContact CE1-OD2 2.9Å; H163-D165 WeakPolarHBondContact ND1-CB 3.36Å; H163-D165 PolarHBondContact ND1-N 3.16Å; H163-D165 VanDerWaalsContact ND1-N 3.2Å; H163-D165 IonicContact ND1-OD2 2.71Å; H163-D165 PolarHBondContact ND1-OD2 3.29Å; H163-D165 PolarHBondContact O-N 3.35Å; H163-D165 VanDerWaalsContact O-N 3.11Å; H163-D166 WeakPolarHBondContact CB-OD1 3.38Å; H163-D166 PolarHBondContact N-OD1 2.9Å; H163-D166 PolarHBondContact N-OD2 2.66Å; H163-D166 WeakPolarHBondContact O-CB 3.47Å; H163-D166 PolarHBondContact O-N 3.13Å
164	P	94.5	Very high	89.1	Confident	124 Å²	124	70.2 Å²	70.2	81%	0.805	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-23.6	175.1	-27.9	36.6	0	0	0	114.8
165	D	96.2	Very high	90.6	Very high	118 Å²	118	69.3 Å²	69.3	63%	0.631	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	10.8	179	-57.7	-31	0	0	0	113.5	H163	H163-D165 IonicContact CE1-OD2 3.43Å; H163-D165 PolarHBondContact CE1-OD2 2.9Å; H163-D165 WeakPolarHBondContact ND1-CB 3.36Å; H163-D165 PolarHBondContact ND1-N 3.16Å; H163-D165 VanDerWaalsContact ND1-N 3.2Å; H163-D165 IonicContact ND1-OD2 2.71Å; H163-D165 PolarHBondContact ND1-OD2 3.29Å; H163-D165 PolarHBondContact O-N 3.35Å; H163-D165 VanDerWaalsContact O-N 3.11Å
166	D	97.1	Very high	92.2	Very high	14 Å²	14	70.4 Å²	70.4	8%	0.075	37%	0.367	C	S	.	.			trans	-58.4	140.8	173.8	-68.9	-15.1	0	0	0	110	K134 A135 P137 I162 H163 V185	K134-D166 WeakPolarHBondContact CE-OD2 3.41Å; K134-D166 HydrophobicContact CG-CB 4.43Å; K134-D166 IonicContact NZ-OD2 3.15Å; A135-D166 WeakPolarHBondContact O-CA 3.34Å; P137-D166 VanDerWaalsContact CD-OD1 3.25Å; P137-D166 WeakPolarHBondContact CD-OD1 3.49Å; I162-D166 WeakPolarHBondContact CA-OD2 3.25Å; H163-D166 WeakPolarHBondContact CB-OD1 3.38Å; H163-D166 PolarHBondContact N-OD1 2.9Å; H163-D166 PolarHBondContact N-OD2 2.66Å; H163-D166 WeakPolarHBondContact O-CB 3.47Å; H163-D166 PolarHBondContact O-N 3.13Å; D166-V185 HydrophobicContact CB-CG1 3.67Å; D166-V185 WeakPolarHBondContact O-CG1 3.32Å
167	E	97.8	Very high	93.6	Very high	75 Å²	75	66.6 Å²	66.6	35%	0.35	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	140.4	176.7	-69.4	-171.2	128.1	0	0	111	K134 A135 K178	K134-E167 CarbonylContact C-O 3.58Å; K134-E167 WeakPolarHBondContact CA-O 3.49Å; A135-E167 HydrophobicContact CB-CB 4.46Å; A135-E167 PolarHBondContact N-O 2.85Å; A135-E167 PolarHBondContact O-N 2.97Å; A135-E167 VanDerWaalsContact O-N 3.14Å; E167-K178 IonicContact OE1-NZ 3.97Å; E167-K178 PolarHBondContact OE1-NZ 3.03Å; E167-K178 WeakPolarHBondContact OE2-CE 3.43Å; E167-K178 IonicContact OE2-NZ 3.69Å; E167-K178 PolarHBondContact OE2-NZ 3.13Å
168	L	98.4	Very high	94.7	Very high	3 Å²	3	65 Å²	65	2%	0.016	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	132.4	170.7	-67.9	-179.8	0	0	0	111.4	L132 K134 L179 I183 V185 L188	L132-L168 HydrophobicContact CD2-CB 4.4Å; K134-L168 HydrophobicContact CB-CD2 3.93Å; K134-L168 HydrophobicContact CD-CD2 4.37Å; K134-L168 HydrophobicContact CG-CD2 3.94Å; L168-L179 HydrophobicContact CB-CB 4.24Å; L168-L179 HydrophobicContact CB-CD1 4.32Å; L168-L179 PolarHBondContact O-N 3.35Å; L168-I183 HydrophobicContact CD1-CD1 3.85Å; L168-I183 HydrophobicContact CD1-CG1 3.95Å; L168-I183 HydrophobicContact CD1-CG2 4.41Å; L168-V185 HydrophobicContact CD1-CB 4.45Å; L168-V185 HydrophobicContact CD1-CG2 4.11Å; L168-V185 HydrophobicContact CG-CB 4.31Å; L168-V185 HydrophobicContact CG-CG1 4.1Å; L168-V185 HydrophobicContact CG-CG2 4.05Å; L168-L188 HydrophobicContact CD1-CB 4.27Å; L168-L188 HydrophobicContact CD1-CD1 3.77Å; L168-L188 HydrophobicContact CD2-CB 4.46Å
169	V	98.3	Very high	95.3	Very high	19 Å²	19	61.3 Å²	61.3	12%	0.115	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	130.8	173	-174.1	0	0	0	0	107.9	L132 F133 E171 R176 I177 K178	L132-V169 WeakPolarHBondContact CA-O 3.4Å; F133-V169 HydrophobicContact CB-CB 4.41Å; F133-V169 HydrophobicContact CD1-CB 4.38Å; F133-V169 HydrophobicContact CD1-CG2 4.41Å; F133-V169 PolarHBondContact N-O 3.4Å; F133-V169 PolarHBondContact O-N 3.32Å; V169-E171 HydrophobicContact CG1-CG 4.41Å; V169-R176 HydrophobicContact CG1-CB 3.76Å; V169-I177 WeakPolarHBondContact CA-O 3.39Å; V169-K178 HydrophobicContact CG2-CG 4.31Å
170	L	98.4	Very high	95.7	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.005	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	125.7	171.6	-169.7	70.7	0	0	0	109	V128 L132 R176 I177 L179 L194 V196	V128-L170 HydrophobicContact CB-CD2 4.08Å; V128-L170 HydrophobicContact CG1-CD2 3.7Å; L132-L170 HydrophobicContact CD2-CD1 4.12Å; L170-R176 CarbonylContact O-C 3.31Å; L170-R176 VanDerWaalsContact O-CA 3.29Å; L170-R176 WeakPolarHBondContact O-CA 3.4Å; L170-I177 HydrophobicContact CB-CG2 4.12Å; L170-I177 PolarHBondContact N-O 3.48Å; L170-I177 PolarHBondContact O-N 3.19Å; L170-L179 HydrophobicContact CB-CD1 4.13Å; L170-L179 HydrophobicContact CB-CD2 3.85Å; L170-L179 HydrophobicContact CB-CG 4.07Å; L170-L179 HydrophobicContact CD2-CD2 4.49Å; L170-L194 HydrophobicContact CD1-CD2 3.92Å; L170-V196 HydrophobicContact CD2-CG2 3.63Å
171	E	97.5	Very high	95.7	Very high	42 Å²	42	61.6 Å²	61.6	20%	0.196	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	133.6	177.9	-49.5	-161	171.6	0	0	110.5	G130 T131 F133 V169 R176	G130-E171 CarbonylContact C-O 3.56Å; G130-E171 WeakPolarHBondContact CA-O 3.46Å; T131-E171 PolarHBondContact N-O 3.35Å; T131-E171 PolarHBondContact O-N 2.83Å; F133-E171 HydrophobicContact CB-CG 4.22Å; V169-E171 HydrophobicContact CG1-CG 4.41Å; E171-R176 HydrophobicContact CB-CG 4.2Å; E171-R176 VanDerWaalsContact CD-CD 3.45Å; E171-R176 VanDerWaalsContact CD-CZ 3.47Å; E171-R176 VanDerWaalsContact CD-NE 3.32Å; E171-R176 HydrophobicContact CG-CB 4.29Å; E171-R176 HydrophobicContact CG-CG 3.73Å; E171-R176 WeakPolarHBondContact OE1-CD 3.33Å; E171-R176 IonicContact OE1-CZ 2.71Å; E171-R176 IonicContact OE1-NE 3.92Å; E171-R176 PolarHBondContact OE1-NE 3.02Å; E171-R176 VanDerWaalsContact OE1-NE 3.17Å; E171-R176 IonicContact OE1-NH1 3.6Å; E171-R176 PolarHBondContact OE1-NH1 3.25Å; E171-R176 IonicContact OE1-NH2 3.65Å; E171-R176 IonicContact OE2-CZ 3.89Å; E171-R176 IonicContact OE2-NE 2.79Å; E171-R176 PolarHBondContact OE2-NE 2.88Å; E171-R176 IonicContact OE2-NH1 2.86Å; E171-R176 IonicContact OE2-NH2 2.89Å
172	D	91.8	Very high	95.7	Very high	16 Å²	16	64.5 Å²	64.5	9%	0.086	33%	0.333	C	S	.	.			trans	-113.2	-171.8	166.2	-165.9	6	0	0	0	108.6	L93 R97 L117 L174 Q175	L93-D172 WeakPolarHBondContact CD2-OD1 3.43Å; R97-D172 IonicContact CZ-OD1 2.79Å; R97-D172 IonicContact NH2-OD1 3.26Å; R97-D172 PolarHBondContact NH2-OD1 3.26Å; R97-D172 IonicContact NH2-OD2 3.99Å; L117-D172 HydrophobicContact CB-CB 4.29Å; L117-D172 HydrophobicContact CD1-CB 3.63Å; L117-D172 HydrophobicContact CG-CB 3.87Å; D172-L174 PolarHBondContact O-N 2.79Å; D172-L174 VanDerWaalsContact O-N 3.15Å; D172-Q175 PolarHBondContact N-O 2.97Å
173	E	88.1	Confident	95.8	Very high	84 Å²	84	62.9 Å²	62.9	39%	0.393	32%	0.324	S	S	.	.	S	Bend	trans	-61.6	-25.5	-177.6	-57	110.6	-173.4	0	0	114.1	L93 R97 K116	L93-E173 HydrophobicContact CD2-CG 4.25Å; R97-E173 IonicContact CZ-OE1 2.65Å; R97-E173 IonicContact NE-OE1 3.6Å; R97-E173 IonicContact NH2-OE1 2.66Å; R97-E173 PolarHBondContact NH2-OE1 3.05Å; R97-E173 IonicContact NH2-OE2 3.27Å; K116-E173 IonicContact NZ-OE2 2.64Å; K116-E173 PolarHBondContact NZ-OE2 3.06Å
174	L	89.4	Confident	95.8	Very high	126 Å²	126	63.4 Å²	63.4	66%	0.66	33%	0.329	S	S	*	.	S	Bend	trans	-117	-32.5	-168.8	-60.8	178.4	0	0	0	114.3	D172	D172-L174 PolarHBondContact O-N 2.79Å; D172-L174 VanDerWaalsContact O-N 3.15Å
175	Q	92.9	Very high	96	Very high	100 Å²	100	59.6 Å²	59.6	47%	0.467	30%	0.304	S	S	.	.			trans	-146.7	169.9	-166.1	-62.4	-173.6	23.2	0	0	111.5	L117 D172	L117-Q175 HydrophobicContact CB-CB 4.23Å; L117-Q175 VanDerWaalsContact CD1-O 3.27Å; L117-Q175 WeakPolarHBondContact CD1-O 3.39Å; D172-Q175 PolarHBondContact N-O 2.97Å
176	R	96.6	Very high	96	Very high	168 Å²	168	56.1 Å²	56.1	63%	0.634	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.4	141.3	179.4	-50.7	-177.6	-175.5	-165.5	7.9	109.5	V169 L170 E171	V169-R176 HydrophobicContact CG1-CB 3.76Å; L170-R176 CarbonylContact O-C 3.31Å; L170-R176 VanDerWaalsContact O-CA 3.29Å; L170-R176 WeakPolarHBondContact O-CA 3.4Å; E171-R176 HydrophobicContact CB-CG 4.2Å; E171-R176 VanDerWaalsContact CD-CD 3.45Å; E171-R176 VanDerWaalsContact CD-CZ 3.47Å; E171-R176 VanDerWaalsContact CD-NE 3.32Å; E171-R176 HydrophobicContact CG-CB 4.29Å; E171-R176 HydrophobicContact CG-CG 3.73Å; E171-R176 WeakPolarHBondContact OE1-CD 3.33Å; E171-R176 IonicContact OE1-CZ 2.71Å; E171-R176 IonicContact OE1-NE 3.92Å; E171-R176 PolarHBondContact OE1-NE 3.02Å; E171-R176 VanDerWaalsContact OE1-NE 3.17Å; E171-R176 IonicContact OE1-NH1 3.6Å; E171-R176 PolarHBondContact OE1-NH1 3.25Å; E171-R176 IonicContact OE1-NH2 3.65Å; E171-R176 IonicContact OE2-CZ 3.89Å; E171-R176 IonicContact OE2-NE 2.79Å; E171-R176 PolarHBondContact OE2-NE 2.88Å; E171-R176 IonicContact OE2-NH1 2.86Å; E171-R176 IonicContact OE2-NH2 2.89Å
177	I	97.8	Very high	96	Very high	22 Å²	22	58.7 Å²	58.7	11%	0.113	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	136.6	176.4	-166.3	161.3	0	0	0	110.6	L117 L120 V169 L170 L179 V200 F206	L117-I177 HydrophobicContact CD1-CG2 4.3Å; L117-I177 HydrophobicContact CD2-CB 4.27Å; L117-I177 HydrophobicContact CD2-CG2 3.45Å; L117-I177 VanDerWaalsContact CD2-CG2 3.45Å; L120-I177 HydrophobicContact CD1-CD1 4.25Å; V169-I177 WeakPolarHBondContact CA-O 3.39Å; L170-I177 HydrophobicContact CB-CG2 4.12Å; L170-I177 PolarHBondContact N-O 3.48Å; L170-I177 PolarHBondContact O-N 3.19Å; I177-L179 HydrophobicContact CG2-CD2 4.45Å; I177-V200 HydrophobicContact CD1-CG2 3.97Å; I177-F206 HydrophobicContact CD1-CB 3.89Å; I177-F206 HydrophobicContact CD1-CD2 4.45Å; I177-F206 HydrophobicContact CG1-CB 4.07Å; I177-F206 HydrophobicContact CG2-CB 4.18Å
178	K	98.1	Very high	96	Very high	84 Å²	84	55.4 Å²	55.4	37%	0.365	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	138.1	174.8	-67.6	-167.9	175	-161.2	0	109.9	E167 V169 K205 F206	E167-K178 IonicContact OE1-NZ 3.97Å; E167-K178 PolarHBondContact OE1-NZ 3.03Å; E167-K178 WeakPolarHBondContact OE2-CE 3.43Å; E167-K178 IonicContact OE2-NZ 3.69Å; E167-K178 PolarHBondContact OE2-NZ 3.13Å; V169-K178 HydrophobicContact CG2-CG 4.31Å; K178-K205 HydrophobicContact CB-CD 4.17Å; K178-K205 HydrophobicContact CB-CG 4.06Å; K178-F206 PolarHBondContact O-N 3.32Å
179	L	98.3	Very high	96	Very high	16 Å²	16	55.3 Å²	55.3	8%	0.084	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	145.7	176.6	-58	-174.8	0	0	0	111.1	L132 L168 L170 I177 I183 V196 F206 V208	L132-L179 HydrophobicContact CD2-CD1 3.57Å; L168-L179 HydrophobicContact CB-CB 4.24Å; L168-L179 HydrophobicContact CB-CD1 4.32Å; L168-L179 PolarHBondContact O-N 3.35Å; L170-L179 HydrophobicContact CB-CD1 4.13Å; L170-L179 HydrophobicContact CB-CD2 3.85Å; L170-L179 HydrophobicContact CB-CG 4.07Å; L170-L179 HydrophobicContact CD2-CD2 4.49Å; I177-L179 HydrophobicContact CG2-CD2 4.45Å; L179-I183 HydrophobicContact CD1-CD1 3.78Å; L179-V196 HydrophobicContact CD1-CG1 4.48Å; L179-F206 HydrophobicContact CD2-CB 3.88Å; L179-F206 HydrophobicContact CD2-CD1 4.22Å; L179-F206 HydrophobicContact CD2-CG 4.36Å; L179-V208 HydrophobicContact CB-CG2 4.25Å; L179-V208 HydrophobicContact CD1-CG2 4.44Å; L179-V208 HydrophobicContact CD2-CG2 4.07Å; L179-V208 HydrophobicContact CG-CG2 4.49Å
180	K	96.2	Very high	96	Very high	85 Å²	85	54.9 Å²	54.9	37%	0.37	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	168	171.1	-75.3	-176.9	161.1	172.6	0	109.2	D203 K205 F206 L207 V208	K180-D203 IonicContact NZ-OD2 2.78Å; K180-D203 PolarHBondContact NZ-OD2 3.19Å; K180-K205 HydrophobicContact CD-CB 4.12Å; K180-K205 HydrophobicContact CD-CD 3.51Å; K180-K205 HydrophobicContact CD-CG 4.45Å; K180-K205 HydrophobicContact CG-CB 4.38Å; K180-K205 HydrophobicContact CG-CD 3.93Å; K180-F206 PolarHBondContact N-O 3.28Å; K180-L207 HydrophobicContact CB-CD1 4.35Å; K180-V208 WeakPolarHBondContact O-CB 3.29Å; K180-V208 PolarHBondContact O-N 2.94Å
181	G	95.7	Very high	96	Very high	46 Å²	46	54.9 Å²	54.9	47%	0.474	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	102.3	-144.1	173.2	0	0	0	0	0	112.2	I183	G181-I183 VanDerWaalsContact C-N 3.26Å; G181-I183 PolarHBondContact O-N 3.1Å
182	T	95.9	Very high	96	Very high	93 Å²	93	52.9 Å²	52.9	57%	0.571	27%	0.272	S	S	*	.	S	Bend	trans	-82.7	65.2	-173.3	41.7	0	0	0	0	111.7	V208 E209	T182-V208 PolarHBondContact N-O 3.03Å; T182-V208 VanDerWaalsContact N-O 3.12Å; T182-V208 PolarHBondContact OG1-O 2.8Å; T182-V208 VanDerWaalsContact OG1-O 3.04Å; T182-E209 WeakPolarHBondContact OG1-CA 3.42Å; T182-E209 PolarHBondContact OG1-O 2.99Å
183	I	97.1	Very high	96.3	Very high	18 Å²	18	52.4 Å²	52.4	9%	0.092	27%	0.269	C	S	.	.			trans	-138.8	129	176.2	-168.9	168.7	0	0	0	110.5	L168 L179 G181 V185 L188 L194 V208	L168-I183 HydrophobicContact CD1-CD1 3.85Å; L168-I183 HydrophobicContact CD1-CG1 3.95Å; L168-I183 HydrophobicContact CD1-CG2 4.41Å; L179-I183 HydrophobicContact CD1-CD1 3.78Å; G181-I183 VanDerWaalsContact C-N 3.26Å; G181-I183 PolarHBondContact O-N 3.1Å; I183-V185 PolarHBondContact O-N 3.34Å; I183-L188 HydrophobicContact CD1-CD1 3.71Å; I183-L188 HydrophobicContact CG1-CD1 3.45Å; I183-L188 VanDerWaalsContact CG1-CD1 3.45Å; I183-L194 HydrophobicContact CD1-CD1 4.43Å; I183-V208 HydrophobicContact CB-CB 4.48Å; I183-V208 HydrophobicContact CB-CG1 4.38Å; I183-V208 HydrophobicContact CG2-CG2 4.41Å
184	D	96.9	Very high	96.9	Very high	77 Å²	77	48.4 Å²	48.4	41%	0.412	25%	0.251	S	S	.	.			trans	-84.2	98.3	-176.2	-172.6	-11.5	0	0	0	111.3	S186 K187 L188	D184-S186 VanDerWaalsContact C-N 3.25Å; D184-S186 PolarHBondContact O-N 3.27Å; D184-S186 WeakPolarHBondContact OD1-CB 3.49Å; D184-S186 PolarHBondContact OD1-N 3.15Å; D184-S186 PolarHBondContact OD1-OG 2.88Å; D184-K187 HydrophobicContact CB-CB 4.05Å; D184-K187 PolarHBondContact O-N 3.34Å; D184-K187 PolarHBondContact OD1-N 3.21Å; D184-K187 VanDerWaalsContact OD1-N 3.16Å; D184-K187 WeakPolarHBondContact OD2-CB 3.32Å; D184-L188 WeakPolarHBondContact O-CD1 3.32Å; D184-L188 PolarHBondContact O-N 2.8Å
185	V	97.4	Very high	97.3	Very high	44 Å²	44	42.4 Å²	42.4	27%	0.267	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-35.6	177.6	-179.3	0	0	0	0	112.2	K134 D166 L168 I183	K134-V185 VanDerWaalsContact CE-O 3.25Å; K134-V185 WeakPolarHBondContact CE-O 3.45Å; K134-V185 PolarHBondContact NZ-O 3.2Å; D166-V185 HydrophobicContact CB-CG1 3.67Å; D166-V185 WeakPolarHBondContact O-CG1 3.32Å; L168-V185 HydrophobicContact CD1-CB 4.45Å; L168-V185 HydrophobicContact CD1-CG2 4.11Å; L168-V185 HydrophobicContact CG-CB 4.31Å; L168-V185 HydrophobicContact CG-CG1 4.1Å; L168-V185 HydrophobicContact CG-CG2 4.05Å; I183-V185 PolarHBondContact O-N 3.34Å
186	S	96.8	Very high	97.6	Very high	46 Å²	46	37.6 Å²	37.6	32%	0.322	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-35.1	-175.1	76	0	0	0	0	111.3	D184 S391 S392	D184-S186 VanDerWaalsContact C-N 3.25Å; D184-S186 PolarHBondContact O-N 3.27Å; D184-S186 WeakPolarHBondContact OD1-CB 3.49Å; D184-S186 PolarHBondContact OD1-N 3.15Å; D184-S186 PolarHBondContact OD1-OG 2.88Å; S186-S391 CarbonylContact O-C 3.59Å; S186-S391 VanDerWaalsContact O-CA 3.23Å; S186-S391 WeakPolarHBondContact O-CA 3.35Å; S186-S392 VanDerWaalsContact C-OG 3.22Å; S186-S392 PolarHBondContact O-N 3.25Å; S186-S392 PolarHBondContact O-OG 2.83Å; S186-S392 WeakPolarHBondContact OG-CB 3.4Å; S186-S392 PolarHBondContact OG-OG 3.47Å
187	K	97.3	Very high	97.6	Very high	68 Å²	68	31.6 Å²	31.6	30%	0.296	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-38.8	-178.6	-173.2	167.7	-170.2	157.1	0	113.4	D184 S391 S392 M393 E398	D184-K187 HydrophobicContact CB-CB 4.05Å; D184-K187 PolarHBondContact O-N 3.34Å; D184-K187 PolarHBondContact OD1-N 3.21Å; D184-K187 VanDerWaalsContact OD1-N 3.16Å; D184-K187 WeakPolarHBondContact OD2-CB 3.32Å; K187-S391 WeakPolarHBondContact O-CB 3.44Å; K187-S392 PolarHBondContact N-OG 3.02Å; K187-M393 HydrophobicContact CG-CE 4.43Å; K187-M393 HydrophobicContact CG-CG 4.04Å; K187-M393 HydrophobicContact CG-SD 4.09Å; K187-E398 IonicContact NZ-OE1 3.74Å; K187-E398 PolarHBondContact NZ-OE1 3.47Å
188	L	98.1	Very high	97.7	Very high	6 Å²	6	30.6 Å²	30.6	3%	0.031	17%	0.17	C	C	.	.			trans	-77.9	151.5	-176.9	-70.7	161.4	0	0	0	112.4	L132 K134 L168 I183 D184 T192 F213 W402	L132-L188 HydrophobicContact CD1-CB 4.06Å; L132-L188 HydrophobicContact CD1-CD1 3.91Å; L132-L188 HydrophobicContact CD1-CD2 3.98Å; L132-L188 HydrophobicContact CD1-CG 4.21Å; K134-L188 WeakPolarHBondContact CD-O 3.36Å; K134-L188 PolarHBondContact NZ-O 2.95Å; L168-L188 HydrophobicContact CD1-CB 4.27Å; L168-L188 HydrophobicContact CD1-CD1 3.77Å; L168-L188 HydrophobicContact CD2-CB 4.46Å; I183-L188 HydrophobicContact CD1-CD1 3.71Å; I183-L188 HydrophobicContact CG1-CD1 3.45Å; I183-L188 VanDerWaalsContact CG1-CD1 3.45Å; D184-L188 WeakPolarHBondContact O-CD1 3.32Å; D184-L188 PolarHBondContact O-N 2.8Å; L188-T192 HydrophobicContact CD2-CG2 4.41Å; L188-F213 HydrophobicContact CD2-CE1 3.92Å; L188-F213 HydrophobicContact CD2-CZ 3.82Å; L188-W402 HydrophobicContact CD2-CZ2 4.36Å
189	V	98.3	Very high	97.6	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.006	15%	0.154	C	C	.	.			trans	-127.8	158.1	178.7	-61.7	0	0	0	0	111.8	T192 I387 W402 P411 T412	V189-T192 WeakPolarHBondContact O-CB 3.44Å; V189-T192 PolarHBondContact O-OG1 3.45Å; V189-I387 HydrophobicContact CG1-CG2 4.26Å; V189-W402 HydrophobicContact CG2-CH2 3.4Å; V189-W402 VanDerWaalsContact CG2-CH2 3.4Å; V189-W402 HydrophobicContact CG2-CZ2 4.34Å; V189-W402 HydrophobicContact CG2-CZ3 3.87Å; V189-P411 HydrophobicContact CG2-CG 4.32Å; V189-T412 HydrophobicContact CB-CG2 3.9Å; V189-T412 HydrophobicContact CG2-CG2 3.63Å
190	T	97.9	Very high	97.6	Very high	9 Å²	9	26.9 Å²	26.9	6%	0.055	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	143.1	174.9	-64	0	0	0	0	111.8	L132 F133 K134 T192 P411 D415	L132-T190 WeakPolarHBondContact O-CA 3.36Å; F133-T190 HydrophobicContact CD2-CG2 4.05Å; K134-T190 WeakPolarHBondContact CB-OG1 3.43Å; K134-T190 PolarHBondContact N-OG1 3.26Å; T190-T192 VanDerWaalsContact C-N 3.31Å; T190-T192 PolarHBondContact O-N 3.26Å; T190-P411 CarbonylContact O-C 3.44Å; T190-D415 HydrophobicContact CG2-CB 4.04Å
191	G	97.6	Very high	97.5	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.01	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	85	-2.7	176.4	0	0	0	0	0	115	R92 L132 P411	R92-G191 PolarHBondContact NH1-O 2.66Å; L132-G191 PolarHBondContact O-N 2.84Å; G191-P411 WeakPolarHBondContact CA-O 3.37Å
192	T	98.6	Very high	97.4	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.006	18%	0.177	C	C	.	.			trans	-67.2	128.1	170.7	-52.4	0	0	0	0	110.1	L132 L188 V189 T190 F213 W402 V406	L132-T192 PolarHBondContact N-O 2.94Å; L188-T192 HydrophobicContact CD2-CG2 4.41Å; V189-T192 WeakPolarHBondContact O-CB 3.44Å; V189-T192 PolarHBondContact O-OG1 3.45Å; T190-T192 VanDerWaalsContact C-N 3.31Å; T190-T192 PolarHBondContact O-N 3.26Å; T192-F213 HydrophobicContact CG2-CD1 4.34Å; T192-F213 HydrophobicContact CG2-CE1 4.03Å; T192-W402 HydrophobicContact CG2-CH2 4.48Å; T192-W402 HydrophobicContact CG2-CZ2 4.16Å; T192-W402 WeakPolarHBondContact OG1-CH2 3.33Å; T192-V406 HydrophobicContact CG2-CB 4.36Å; T192-V406 HydrophobicContact CG2-CG1 4.04Å
193	V	98.5	Very high	97.2	Very high	5 Å²	5	33.1 Å²	33.1	3%	0.03	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	126.5	173.2	-164.6	0	0	0	0	108.9	R92 L93 M96 L100 V129 G130 T131	R92-V193 HydrophobicContact CG-CG2 3.88Å; L93-V193 HydrophobicContact CD1-CG1 3.71Å; M96-V193 HydrophobicContact CB-CB 4.14Å; M96-V193 HydrophobicContact CB-CG1 3.93Å; M96-V193 HydrophobicContact CB-CG2 4.44Å; M96-V193 HydrophobicContact CE-CB 4.47Å; M96-V193 HydrophobicContact CG-CB 4.34Å; M96-V193 HydrophobicContact CG-CG2 4.32Å; L100-V193 HydrophobicContact CD1-CB 4.07Å; L100-V193 HydrophobicContact CD1-CG1 3.48Å; L100-V193 VanDerWaalsContact CD1-CG1 3.48Å; V129-V193 HydrophobicContact CG1-CG1 4.41Å; G130-V193 WeakPolarHBondContact O-CA 3.35Å; G130-V193 WeakPolarHBondContact O-CG1 3.48Å; T131-V193 HydrophobicContact CG2-CG2 4.44Å
194	L	98.6	Very high	97	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	165.6	-176.4	78.2	176.4	0	0	0	111.6	G130 L132 L170 I183 V196 H211 F213	G130-L194 PolarHBondContact N-O 3.08Å; G130-L194 PolarHBondContact O-N 2.95Å; G130-L194 VanDerWaalsContact O-N 3.14Å; L132-L194 HydrophobicContact CD1-CD1 4Å; L132-L194 HydrophobicContact CD1-CD2 3.74Å; L132-L194 HydrophobicContact CD2-CD2 3.95Å; L132-L194 HydrophobicContact CG-CD2 3.46Å; L132-L194 VanDerWaalsContact CG-CD2 3.46Å; L170-L194 HydrophobicContact CD1-CD2 3.92Å; I183-L194 HydrophobicContact CD1-CD1 4.43Å; L194-V196 HydrophobicContact CD1-CG1 4.01Å; L194-V196 HydrophobicContact CD2-CG1 4.47Å; L194-V196 HydrophobicContact CG-CG1 3.96Å; L194-H211 HydrophobicContact CD1-CB 4.2Å; L194-F213 HydrophobicContact CB-CD1 3.85Å; L194-F213 HydrophobicContact CB-CE1 4Å; L194-F213 HydrophobicContact CD1-CE1 4.1Å
195	A	98.5	Very high	97	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	130.5	167.9	0	0	0	0	0	109	L100 A104 W108 V128 V129 H211 C212	L100-A195 HydrophobicContact CB-CB 4.43Å; L100-A195 HydrophobicContact CD2-CB 4.46Å; A104-A195 HydrophobicContact CB-CB 4.23Å; W108-A195 HydrophobicContact CH2-CB 4.15Å; W108-A195 HydrophobicContact CZ3-CB 4.06Å; V128-A195 CarbonylContact O-C 3.58Å; V128-A195 WeakPolarHBondContact O-CA 3.48Å; V129-A195 HydrophobicContact CG2-CB 4.09Å; A195-H211 CarbonylContact O-C 3.41Å; A195-H211 VanDerWaalsContact O-CA 3.23Å; A195-H211 WeakPolarHBondContact O-CA 3.17Å; A195-H211 WeakPolarHBondContact O-CB 3.33Å; A195-C212 PolarHBondContact N-O 3.41Å; A195-C212 PolarHBondContact O-N 3.5Å
196	V	98.4	Very high	97	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	138.3	174.5	-60.2	0	0	0	0	110	C127 V128 L170 L179 L194 F206 V208 H211	C127-V196 CarbonylContact C-O 3.48Å; C127-V196 VanDerWaalsContact CA-O 3.29Å; C127-V196 WeakPolarHBondContact CA-O 3.39Å; V128-V196 HydrophobicContact CB-CG2 4.06Å; V128-V196 PolarHBondContact N-O 2.91Å; V128-V196 PolarHBondContact O-N 2.8Å; L170-V196 HydrophobicContact CD2-CG2 3.63Å; L179-V196 HydrophobicContact CD1-CG1 4.48Å; L194-V196 HydrophobicContact CD1-CG1 4.01Å; L194-V196 HydrophobicContact CD2-CG1 4.47Å; L194-V196 HydrophobicContact CG-CG1 3.96Å; V196-F206 HydrophobicContact CB-CE1 4.39Å; V196-F206 HydrophobicContact CG2-CD1 4.24Å; V196-F206 HydrophobicContact CG2-CE1 3.83Å; V196-F206 HydrophobicContact CG2-CZ 4.34Å; V196-V208 HydrophobicContact CB-CG1 4.44Å; V196-V208 HydrophobicContact CB-CG2 4.35Å; V196-V208 HydrophobicContact CG1-CG2 4.49Å; V196-H211 HydrophobicContact CG1-CB 4.11Å
197	F	98.5	Very high	97.1	Very high	42 Å²	42	31.5 Å²	31.5	18%	0.184	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	132.7	175.8	-179.6	-101.5	0	0	0	110.4	W108 V112 K125 C126 E209 D210	W108-F197 HydrophobicContact CD2-CB 3.93Å; W108-F197 HydrophobicContact CD2-CD2 4.48Å; W108-F197 HydrophobicContact CD2-CG 4.29Å; W108-F197 HydrophobicContact CE3-CB 4Å; W108-F197 HydrophobicContact CE3-CD2 4.45Å; W108-F197 HydrophobicContact CH2-CB 3.58Å; W108-F197 HydrophobicContact CZ2-CB 3.5Å; W108-F197 HydrophobicContact CZ3-CB 3.84Å; V112-F197 HydrophobicContact CG2-CD2 4.01Å; V112-F197 HydrophobicContact CG2-CE2 4.11Å; K125-F197 HydrophobicContact CB-CE2 4.36Å; K125-F197 HydrophobicContact CB-CZ 3.98Å; K125-F197 HydrophobicContact CD-CE1 4.21Å; K125-F197 HydrophobicContact CD-CZ 4.04Å; C126-F197 WeakPolarHBondContact O-CA 3.46Å; C126-F197 WeakPolarHBondContact O-CD2 3.46Å; F197-E209 HydrophobicContact CD1-CB 4.37Å; F197-E209 PolarHBondContact O-N 3.17Å; F197-D210 PolarHBondContact N-O 2.78Å; F197-D210 PolarHBondContact O-N 3.02Å
198	G	97.9	Very high	97.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165	-155.3	-176.1	0	0	0	0	0	112.9	K125 C126 L207	K125-G198 CarbonylContact C-O 3.56Å; K125-G198 WeakPolarHBondContact CA-O 3.41Å; C126-G198 PolarHBondContact N-O 3.33Å; C126-G198 PolarHBondContact O-N 3.17Å; G198-L207 VanDerWaalsContact CA-O 3.25Å; G198-L207 WeakPolarHBondContact CA-O 3.38Å
199	S	97.5	Very high	97.1	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.014	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	151.2	-176.1	63.9	0	0	0	0	111.9	E124 L207	E124-S199 WeakPolarHBondContact O-CA 3.47Å; E124-S199 WeakPolarHBondContact O-CB 3.48Å; S199-L207 PolarHBondContact N-O 2.93Å; S199-L207 PolarHBondContact O-N 2.84Å
200	V	97.4	Very high	97.1	Very high	20 Å²	20	34 Å²	34	12%	0.121	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	135.2	171.1	-178.2	0	0	0	0	110.3	L120 G123 I177 F206	L120-V200 HydrophobicContact CB-CG2 3.73Å; L120-V200 HydrophobicContact CD1-CG2 3.62Å; L120-V200 HydrophobicContact CG-CG2 4.24Å; G123-V200 PolarHBondContact N-O 3.05Å; I177-V200 HydrophobicContact CD1-CG2 3.97Å; V200-F206 HydrophobicContact CG2-CD2 4.03Å
201	R	94.9	Very high	97.1	Very high	105 Å²	105	35.8 Å²	35.8	40%	0.396	19%	0.188	S	C	.	.			trans	-102.9	167.9	176.7	-59.8	-60.8	-179.8	-177.8	-5	111.5	D203 G204 K205 L207	R201-D203 WeakPolarHBondContact CB-OD1 3.22Å; R201-D203 PolarHBondContact O-N 2.88Å; R201-D203 VanDerWaalsContact O-N 3.13Å; R201-G204 PolarHBondContact O-N 2.61Å; R201-K205 PolarHBondContact N-O 3.42Å; R201-L207 HydrophobicContact CG-CB 3.76Å
202	D	92.3	Very high	97.2	Very high	168 Å²	168	36.4 Å²	36.4	90%	0.898	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-20.5	-176.7	-54.9	-34.8	0	0	0	113.5	G204	D202-G204 PolarHBondContact O-N 2.72Å
203	D	92.5	Very high	97.1	Very high	83 Å²	83	38.7 Å²	38.7	44%	0.444	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	5.3	174.5	74.3	-18.1	0	0	0	113.7	K180 R201 K205	K180-D203 IonicContact NZ-OD2 2.78Å; K180-D203 PolarHBondContact NZ-OD2 3.19Å; R201-D203 WeakPolarHBondContact CB-OD1 3.22Å; R201-D203 PolarHBondContact O-N 2.88Å; R201-D203 VanDerWaalsContact O-N 3.13Å; D203-K205 VanDerWaalsContact C-N 3.27Å; D203-K205 PolarHBondContact O-N 3.2Å; D203-K205 WeakPolarHBondContact OD1-CB 3.09Å; D203-K205 PolarHBondContact OD1-N 3.08Å; D203-K205 VanDerWaalsContact OD1-N 3.13Å; D203-K205 WeakPolarHBondContact OD2-CD 3.35Å
204	G	92.7	Very high	97.1	Very high	48 Å²	48	38.4 Å²	38.4	50%	0.495	20%	0.2	S	C	.	.	S	Bend	trans	76.1	9.3	179.5	0	0	0	0	0	114.4	R201 D202	R201-G204 PolarHBondContact O-N 2.61Å; D202-G204 PolarHBondContact O-N 2.72Å
205	K	96.7	Very high	97	Very high	49 Å²	49	40.2 Å²	40.2	21%	0.213	21%	0.21	C	C	.	.			trans	-102.8	154	179.8	-55.7	-174.2	-177.4	-167.5	0	111	K178 K180 R201 D203	K178-K205 HydrophobicContact CB-CD 4.17Å; K178-K205 HydrophobicContact CB-CG 4.06Å; K180-K205 HydrophobicContact CD-CB 4.12Å; K180-K205 HydrophobicContact CD-CD 3.51Å; K180-K205 HydrophobicContact CD-CG 4.45Å; K180-K205 HydrophobicContact CG-CB 4.38Å; K180-K205 HydrophobicContact CG-CD 3.93Å; R201-K205 PolarHBondContact N-O 3.42Å; D203-K205 VanDerWaalsContact C-N 3.27Å; D203-K205 PolarHBondContact O-N 3.2Å; D203-K205 WeakPolarHBondContact OD1-CB 3.09Å; D203-K205 PolarHBondContact OD1-N 3.08Å; D203-K205 VanDerWaalsContact OD1-N 3.13Å; D203-K205 WeakPolarHBondContact OD2-CD 3.35Å
206	F	98.3	Very high	97	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	116.5	175.9	-163.9	-87.3	0	0	0	109.4	L120 V128 I177 K178 L179 K180 V196 V200 V208	L120-F206 HydrophobicContact CD1-CD2 4.09Å; L120-F206 HydrophobicContact CD1-CE2 4.27Å; L120-F206 HydrophobicContact CD2-CE2 4.42Å; V128-F206 HydrophobicContact CG2-CE2 3.89Å; V128-F206 HydrophobicContact CG2-CZ 4.13Å; I177-F206 HydrophobicContact CD1-CB 3.89Å; I177-F206 HydrophobicContact CD1-CD2 4.45Å; I177-F206 HydrophobicContact CG1-CB 4.07Å; I177-F206 HydrophobicContact CG2-CB 4.18Å; K178-F206 PolarHBondContact O-N 3.32Å; L179-F206 HydrophobicContact CD2-CB 3.88Å; L179-F206 HydrophobicContact CD2-CD1 4.22Å; L179-F206 HydrophobicContact CD2-CG 4.36Å; K180-F206 PolarHBondContact N-O 3.28Å; V196-F206 HydrophobicContact CB-CE1 4.39Å; V196-F206 HydrophobicContact CG2-CD1 4.24Å; V196-F206 HydrophobicContact CG2-CE1 3.83Å; V196-F206 HydrophobicContact CG2-CZ 4.34Å; V200-F206 HydrophobicContact CG2-CD2 4.03Å; F206-V208 HydrophobicContact CD1-CG2 3.96Å; F206-V208 HydrophobicContact CE1-CG2 4.43Å; F206-V208 PolarHBondContact O-N 2.86Å
207	L	98.4	Very high	97	Very high	53 Å²	53	40.3 Å²	40.3	28%	0.277	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	107.2	172.5	-174	78.3	0	0	0	108.8	K180 G198 S199 R201	K180-L207 HydrophobicContact CB-CD1 4.35Å; G198-L207 VanDerWaalsContact CA-O 3.25Å; G198-L207 WeakPolarHBondContact CA-O 3.38Å; S199-L207 PolarHBondContact N-O 2.93Å; S199-L207 PolarHBondContact O-N 2.84Å; R201-L207 HydrophobicContact CG-CB 3.76Å
208	V	98.4	Very high	96.9	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.012	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	126.7	173.2	-175.2	0	0	0	0	108.9	L179 K180 T182 I183 V196 F206 D210	L179-V208 HydrophobicContact CB-CG2 4.25Å; L179-V208 HydrophobicContact CD1-CG2 4.44Å; L179-V208 HydrophobicContact CD2-CG2 4.07Å; L179-V208 HydrophobicContact CG-CG2 4.49Å; K180-V208 WeakPolarHBondContact O-CB 3.29Å; K180-V208 PolarHBondContact O-N 2.94Å; T182-V208 PolarHBondContact N-O 3.03Å; T182-V208 VanDerWaalsContact N-O 3.12Å; T182-V208 PolarHBondContact OG1-O 2.8Å; T182-V208 VanDerWaalsContact OG1-O 3.04Å; I183-V208 HydrophobicContact CB-CB 4.48Å; I183-V208 HydrophobicContact CB-CG1 4.38Å; I183-V208 HydrophobicContact CG2-CG2 4.41Å; V196-V208 HydrophobicContact CB-CG1 4.44Å; V196-V208 HydrophobicContact CB-CG2 4.35Å; V196-V208 HydrophobicContact CG1-CG2 4.49Å; F206-V208 HydrophobicContact CD1-CG2 3.96Å; F206-V208 HydrophobicContact CE1-CG2 4.43Å; F206-V208 PolarHBondContact O-N 2.86Å; V208-D210 WeakPolarHBondContact CG1-O 3.34Å
209	E	98	Very high	96.9	Very high	70 Å²	70	43.4 Å²	43.4	33%	0.327	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	-37.2	169.1	-64.3	-177.3	-176	0	0	110.6	K125 T182 F197	K125-E209 WeakPolarHBondContact CE-OE1 2.98Å; K125-E209 IonicContact NZ-OE1 2.72Å; K125-E209 PolarHBondContact NZ-OE1 3.3Å; K125-E209 IonicContact NZ-OE2 2.61Å; K125-E209 PolarHBondContact NZ-OE2 3.07Å; T182-E209 WeakPolarHBondContact OG1-CA 3.42Å; T182-E209 PolarHBondContact OG1-O 2.99Å; F197-E209 HydrophobicContact CD1-CB 4.37Å; F197-E209 PolarHBondContact O-N 3.17Å
210	D	98.2	Very high	96.7	Very high	55 Å²	55	49.5 Å²	49.5	29%	0.294	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	163.5	178.3	-169	23.8	0	0	0	111.4	H107 W108 F197 V208	H107-D210 IonicContact CE1-OD2 3.66Å; H107-D210 PolarHBondContact CE1-OD2 2.81Å; H107-D210 VanDerWaalsContact CE1-OD2 3.27Å; H107-D210 IonicContact ND1-OD2 2.71Å; H107-D210 IonicContact NE2-OD2 3.75Å; W108-D210 HydrophobicContact CZ2-CB 4.13Å; W108-D210 PolarHBondContact NE1-OD2 2.92Å; F197-D210 PolarHBondContact N-O 2.78Å; F197-D210 PolarHBondContact O-N 3.02Å; V208-D210 WeakPolarHBondContact CG1-O 3.34Å
211	H	98.3	Very high	96.5	Very high	47 Å²	47	54.2 Å²	54.2	22%	0.218	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	155.1	175.1	64.4	-78.7	0	0	0	112.1	L194 A195 V196 F213	L194-H211 HydrophobicContact CD1-CB 4.2Å; A195-H211 CarbonylContact O-C 3.41Å; A195-H211 VanDerWaalsContact O-CA 3.23Å; A195-H211 WeakPolarHBondContact O-CA 3.17Å; A195-H211 WeakPolarHBondContact O-CB 3.33Å; V196-H211 HydrophobicContact CG1-CB 4.11Å; H211-F213 AromaticContact CD2-CZ 3.87Å; H211-F213 AromaticContact NE2-CZ 3.98Å
212	C	97.9	Very high	96.4	Very high	14 Å²	14	51 Å²	51	10%	0.095	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	156.1	173.2	64.5	0	0	0	0	113.1	A195	A195-C212 PolarHBondContact N-O 3.41Å; A195-C212 PolarHBondContact O-N 3.5Å
213	F	98.3	Very high	96.5	Very high	49 Å²	49	46.3 Å²	46.3	22%	0.215	26%	0.263	C	S	.	.			trans	-103.6	172.2	177.1	-55.4	-65.5	0	0	0	111.3	L100 L188 T192 L194 H211 D215 R405 V406	L100-F213 VanDerWaalsContact CD2-C 3.49Å; L188-F213 HydrophobicContact CD2-CE1 3.92Å; L188-F213 HydrophobicContact CD2-CZ 3.82Å; T192-F213 HydrophobicContact CG2-CD1 4.34Å; T192-F213 HydrophobicContact CG2-CE1 4.03Å; L194-F213 HydrophobicContact CB-CD1 3.85Å; L194-F213 HydrophobicContact CB-CE1 4Å; L194-F213 HydrophobicContact CD1-CE1 4.1Å; H211-F213 AromaticContact CD2-CZ 3.87Å; H211-F213 AromaticContact NE2-CZ 3.98Å; F213-D215 PolarHBondContact O-N 2.96Å; F213-R405 WeakPolarHBondContact CB-O 3.3Å; F213-V406 HydrophobicContact CD1-CG1 3.78Å; F213-V406 HydrophobicContact CE1-CG1 4.05Å; F213-V406 HydrophobicContact CG-CG1 4.05Å
214	A	97.7	Very high	96.5	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	28%	0.28	C	S	.	.			trans	-69.4	-21.7	179.9	0	0	0	0	0	113.3	M96 F99 L100 R103 R407	M96-A214 HydrophobicContact CE-CB 3.71Å; F99-A214 HydrophobicContact CB-CB 4.1Å; L100-A214 HydrophobicContact CD2-CB 4.09Å; L100-A214 VanDerWaalsContact CD2-N 3.34Å; L100-A214 HydrophobicContact CG-CB 4.28Å; R103-A214 WeakPolarHBondContact CG-O 3.29Å; R103-A214 PolarHBondContact NE-O 2.74Å; R103-A214 VanDerWaalsContact NE-O 3.16Å; A214-R407 HydrophobicContact CB-CB 3.81Å
215	D	97.3	Very high	96.5	Very high	37 Å²	37	47.9 Å²	47.9	20%	0.198	27%	0.267	C	S	.	.			trans	57.5	-169.4	-176.2	-146.3	-23.9	0	0	0	112.8	F213 R405 R407 P453	F213-D215 PolarHBondContact O-N 2.96Å; D215-R405 WeakPolarHBondContact CA-O 3.45Å; D215-R405 PolarHBondContact N-O 3.16Å; D215-R405 WeakPolarHBondContact OD1-CD 3.26Å; D215-R405 IonicContact OD1-CZ 3.88Å; D215-R405 IonicContact OD1-NH1 3.75Å; D215-R405 PolarHBondContact OD1-NH1 3.03Å; D215-R405 IonicContact OD2-NH1 2.73Å; D215-R407 WeakPolarHBondContact O-CB 3.34Å; D215-P453 HydrophobicContact CB-CG 4.48Å; D215-P453 VanDerWaalsContact OD2-CG 3.23Å; D215-P453 WeakPolarHBondContact OD2-CG 3.32Å
216	L	97.9	Very high	96.2	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-60.3	140.4	-175.1	-53.1	-164.7	0	0	0	112.2	L404 I450 Q456 V458	L216-L404 HydrophobicContact CD2-CB 4.43Å; L216-L404 HydrophobicContact CD2-CD1 4.44Å; L216-L404 HydrophobicContact CD2-CD2 3.87Å; L216-L404 HydrophobicContact CD2-CG 3.55Å; L216-I450 HydrophobicContact CD1-CD1 4.41Å; L216-I450 HydrophobicContact CD2-CD1 4.44Å; L216-Q456 HydrophobicContact CD1-CB 4.06Å; L216-V458 HydrophobicContact CD1-CG2 4.19Å
217	A	97.4	Very high	95.8	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.008	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-70.2	166.9	169.7	0	0	0	0	0	111.4	F430 C433 Q456	A217-F430 HydrophobicContact CB-CB 4.25Å; A217-F430 WeakPolarHBondContact CB-O 3.4Å; A217-C433 HydrophobicContact CB-CB 4.3Å; A217-C433 VanDerWaalsContact O-CB 3.24Å; A217-C433 WeakPolarHBondContact O-CB 3.44Å; A217-Q456 PolarHBondContact O-NE2 3.12Å
218	P	97.1	Very high	95.6	Very high	69 Å²	69	54.4 Å²	54.4	45%	0.448	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-57.9	142.9	172.5	-25.2	35.5	0	0	0	112.2	E432 C433	P218-E432 WeakPolarHBondContact O-CA 3.23Å; P218-C433 PolarHBondContact O-N 3.22Å
219	Q	97.3	Very high	95.4	Very high	38 Å²	38	55.7 Å²	55.7	18%	0.178	31%	0.312	C	S	.	.			trans	-126	123.3	-179.6	-162	-175.8	51.6	0	0	110.2	R375 C433 P434 H435 Q456 T457	Q219-R375 VanDerWaalsContact CG-NH2 3.27Å; Q219-C433 HydrophobicContact CB-CB 3.97Å; Q219-C433 HydrophobicContact CG-CB 4.2Å; Q219-P434 PolarHBondContact NE2-O 2.81Å; Q219-H435 PolarHBondContact NE2-CD2 3.47Å; Q219-Q456 HydrophobicContact CB-CB 3.99Å; Q219-Q456 HydrophobicContact CB-CG 3.55Å; Q219-Q456 VanDerWaalsContact OE1-CA 3.3Å; Q219-T457 PolarHBondContact NE2-O 2.71Å; Q219-T457 PolarHBondContact OE1-O 2.78Å
220	K	93.3	Very high	95.4	Very high	130 Å²	130	52.4 Å²	52.4	57%	0.565	30%	0.296	S	S	*	.	P	Polyproline II helix	trans	-79.7	129.7	168	-68.9	171.3	-177.9	137.2	0	108.2	R375 E432 H435	K220-R375 PolarHBondContact O-NH2 3.23Å; K220-E432 IonicContact NZ-OE1 3.46Å; K220-E432 PolarHBondContact NZ-OE1 2.96Å; K220-H435 PolarHBondContact O-CE1 2.98Å; K220-H435 VanDerWaalsContact O-CE1 3.31Å; K220-H435 PolarHBondContact O-NE2 2.93Å
221	P	93.9	Very high	95.4	Very high	119 Å²	119	49.8 Å²	49.8	77%	0.773	28%	0.282	S	S	*	.	P	Polyproline II helix	trans	-56.8	142.8	178.3	-25	33.9	0	0	0	112.6
222	A	92.9	Very high	95.4	Very high	38 Å²	38	47.7 Å²	47.7	31%	0.314	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-68.9	142	170.4	0	0	0	0	0	110.3	V374	A222-V374 HydrophobicContact CB-CG2 4.42Å
223	P	93.4	Very high	95.5	Very high	70 Å²	70	47 Å²	47	46%	0.455	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-64.7	145.5	171.1	29.6	-34	0	0	0	110.1
224	P	93.1	Very high	95.5	Very high	123 Å²	123	44.8 Å²	44.8	80%	0.799	26%	0.258	S	S	*	.	P	Polyproline II helix	trans	-65.9	146.6	174.2	29.4	-34.4	0	0	0	110.5
225	L	91.9	Very high	95.5	Very high	40 Å²	40	44.8 Å²	44.8	21%	0.209	26%	0.259	C	S	.	.			trans	-108.7	139.6	173.8	-62	178.8	0	0	0	110.1	D372 L477 R478	L225-D372 HydrophobicContact CD1-CB 4.34Å; L225-D372 HydrophobicContact CD2-CB 4.34Å; L225-L477 HydrophobicContact CD1-CB 3.63Å; L225-R478 HydrophobicContact CB-CB 4.22Å; L225-R478 HydrophobicContact CB-CG 4.26Å; L225-R478 WeakPolarHBondContact O-CD 3.33Å; L225-R478 WeakPolarHBondContact O-CG 3.46Å
226	D	90.9	Very high	95.5	Very high	152 Å²	152	43.1 Å²	43.1	81%	0.813	25%	0.25	S	C	*	.	S	Bend	trans	-75.5	-43.8	-179.7	-60.2	-37.3	0	0	0	111.6	R478	D226-R478 PolarHBondContact O-NH1 3.3Å
227	T	91.2	Very high	95.5	Very high	70 Å²	70	43.2 Å²	43.2	43%	0.429	25%	0.25	S	S	.	.	S	Bend	trans	-110.6	146.6	-179.2	58.7	0	0	0	0	111.1	R229	T227-R229 PolarHBondContact OG1-NE 2.92Å
228	D	93	Very high	95.3	Very high	17 Å²	17	43.6 Å²	43.6	9%	0.091	25%	0.254	C	S	.	.			trans	-62.1	137.8	171.5	-62	-58.2	0	0	0	110.9	Q40 F230 N476 R478	Q40-D228 VanDerWaalsContact NE2-CG 3.33Å; Q40-D228 PolarHBondContact NE2-OD2 3.16Å; D228-F230 HydrophobicContact CB-CE2 4.08Å; D228-F230 HydrophobicContact CB-CZ 4.24Å; D228-N476 VanDerWaalsContact CG-ND2 3.28Å; D228-N476 PolarHBondContact OD1-ND2 3.22Å; D228-N476 PolarHBondContact OD1-OD1 3.21Å; D228-R478 IonicContact OD1-CZ 3.17Å; D228-R478 IonicContact OD1-NE 3.85Å; D228-R478 PolarHBondContact OD1-NE 3.09Å; D228-R478 IonicContact OD1-NH2 3.33Å; D228-R478 PolarHBondContact OD1-NH2 2.69Å; D228-R478 IonicContact OD2-CZ 3.15Å; D228-R478 IonicContact OD2-NE 3.66Å; D228-R478 IonicContact OD2-NH2 2.71Å; D228-R478 PolarHBondContact OD2-NH2 3.32Å
229	R	95	Very high	95.1	Very high	30 Å²	30	40.7 Å²	40.7	11%	0.113	24%	0.235	C	C	.	.			trans	-134.1	137.8	175.2	-62	-61.1	179	108.9	-4.3	107.4	V62 P63 T227 N476 L477	V62-R229 VanDerWaalsContact CB-NH1 3.33Å; P63-R229 PolarHBondContact O-NH1 3.42Å; T227-R229 PolarHBondContact OG1-NE 2.92Å; R229-N476 WeakPolarHBondContact O-CA 3.44Å; R229-L477 HydrophobicContact CB-CB 4.36Å; R229-L477 HydrophobicContact CB-CD1 4.09Å; R229-L477 HydrophobicContact CB-CG 4.35Å; R229-L477 WeakPolarHBondContact O-CG 3.43Å; R229-L477 PolarHBondContact O-N 2.65Å
230	F	97.3	Very high	94.6	Very high	1 Å²	1	40.6 Å²	40.6	0%	0.004	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	142.5	-176.3	-60.3	-90.2	0	0	0	111.7	F37 D228 H272 V273 S274 L474 V475 N476	F37-F230 HydrophobicContact CB-CE1 4.2Å; F37-F230 HydrophobicContact CB-CZ 4.48Å; D228-F230 HydrophobicContact CB-CE2 4.08Å; D228-F230 HydrophobicContact CB-CZ 4.24Å; F230-H272 HydrophobicContact CD2-CB 3.95Å; F230-H272 HydrophobicContact CE2-CB 4.22Å; F230-H272 PolarHBondContact N-O 3.38Å; F230-V273 HydrophobicContact CB-CG2 4.17Å; F230-V273 CarbonylContact O-C 3.52Å; F230-V273 WeakPolarHBondContact O-CA 3.45Å; F230-S274 PolarHBondContact O-N 2.89Å; F230-L474 HydrophobicContact CB-CD2 4.22Å; F230-L474 HydrophobicContact CD1-CB 4.46Å; F230-V475 CarbonylContact C-O 3.55Å; F230-V475 VanDerWaalsContact CA-O 3.28Å; F230-V475 WeakPolarHBondContact CA-O 3.35Å; F230-N476 HydrophobicContact CD1-CB 4Å; F230-N476 HydrophobicContact CE1-CB 3.76Å
231	V	98.5	Very high	93.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	125.8	165.1	174.9	0	0	0	0	107.7	L233 R275 I277 I371 F376 V475 L477	V231-L233 HydrophobicContact CG1-CD2 3.95Å; V231-R275 WeakPolarHBondContact CA-O 3.36Å; V231-I277 HydrophobicContact CG1-CD1 3.97Å; V231-I277 HydrophobicContact CG1-CG1 4.16Å; V231-I371 HydrophobicContact CG2-CD1 4.15Å; V231-I371 HydrophobicContact CG2-CG2 4.11Å; V231-F376 HydrophobicContact CB-CE1 4.46Å; V231-F376 HydrophobicContact CB-CZ 4.25Å; V231-F376 HydrophobicContact CG1-CE1 4.28Å; V231-F376 HydrophobicContact CG1-CZ 4.49Å; V231-F376 HydrophobicContact CG2-CZ 4.13Å; V231-V475 PolarHBondContact N-O 2.64Å; V231-V475 PolarHBondContact O-N 3.13Å; V231-L477 HydrophobicContact CG2-CD1 4.05Å; V231-L477 HydrophobicContact CG2-CD2 3.82Å; V231-L477 HydrophobicContact CG2-CG 4.17Å
232	L	98.8	Very high	92.5	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.016	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	122.2	174.3	-179.5	68.3	0	0	0	109.5	V234 L253 V257 V273 R275 V276 I277 A472 C473 L474	L232-V234 HydrophobicContact CD1-CG2 4.43Å; L232-V234 HydrophobicContact CD2-CG2 4.13Å; L232-V234 HydrophobicContact CG-CG2 3.89Å; L232-L253 HydrophobicContact CD2-CD1 3.99Å; L232-V257 HydrophobicContact CD2-CG2 3.36Å; L232-V273 HydrophobicContact CB-CG1 4.21Å; L232-R275 PolarHBondContact N-O 3.06Å; L232-V276 HydrophobicContact CB-CG2 4.24Å; L232-V276 HydrophobicContact CD2-CG1 4.27Å; L232-V276 HydrophobicContact CD2-CG2 4.16Å; L232-V276 CarbonylContact O-C 3.52Å; L232-V276 WeakPolarHBondContact O-CA 3.37Å; L232-I277 PolarHBondContact O-N 3.32Å; L232-A472 HydrophobicContact CD1-CB 3.84Å; L232-C473 WeakPolarHBondContact CA-O 3.42Å; L232-L474 HydrophobicContact CB-CD2 3.77Å; L232-L474 HydrophobicContact CD1-CD2 3.61Å; L232-L474 HydrophobicContact CD1-CG 4.11Å; L232-L474 HydrophobicContact CG-CD2 4.27Å
233	L	98.9	Very high	91.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	127.2	173.1	-53.3	175.6	0	0	0	109.1	V231 I277 F438 V461 V463 C473 V475	V231-L233 HydrophobicContact CG1-CD2 3.95Å; L233-I277 HydrophobicContact CD2-CB 3.81Å; L233-I277 HydrophobicContact CD2-CD1 3.79Å; L233-I277 HydrophobicContact CD2-CG1 4.14Å; L233-I277 HydrophobicContact CD2-CG2 4.45Å; L233-F438 HydrophobicContact CD1-CB 4.12Å; L233-F438 HydrophobicContact CD1-CD1 4.48Å; L233-F438 HydrophobicContact CD1-CG 4.2Å; L233-V461 HydrophobicContact CD1-CB 4.47Å; L233-V461 HydrophobicContact CD1-CG1 4.25Å; L233-V463 HydrophobicContact CB-CG1 4.16Å; L233-V463 HydrophobicContact CB-CG2 3.72Å; L233-V463 HydrophobicContact CD1-CG2 3.88Å; L233-V463 HydrophobicContact CG-CG2 4.44Å; L233-C473 HydrophobicContact CB-CB 4.23Å; L233-C473 PolarHBondContact N-O 2.66Å; L233-C473 PolarHBondContact O-N 3.47Å; L233-V475 HydrophobicContact CD1-CG2 3.99Å; L233-V475 HydrophobicContact CG-CG2 4.48Å
234	V	98.9	Very high	90	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.006	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	143.9	176	-166.6	0	0	0	0	107.8	L232 L237 L253 I277 L278 A279 F466 A472	L232-V234 HydrophobicContact CD1-CG2 4.43Å; L232-V234 HydrophobicContact CD2-CG2 4.13Å; L232-V234 HydrophobicContact CG-CG2 3.89Å; V234-L237 HydrophobicContact CG1-CD2 4Å; V234-L253 HydrophobicContact CG1-CD2 4.03Å; V234-L253 HydrophobicContact CG2-CD1 4.44Å; V234-L253 HydrophobicContact CG2-CD2 4.11Å; V234-I277 PolarHBondContact N-O 3.16Å; V234-L278 HydrophobicContact CB-CD2 3.77Å; V234-L278 HydrophobicContact CG1-CD2 4.45Å; V234-L278 HydrophobicContact CG2-CD2 4.1Å; V234-L278 CarbonylContact O-C 3.45Å; V234-L278 WeakPolarHBondContact O-CA 3.46Å; V234-A279 PolarHBondContact O-N 3.27Å; V234-F466 HydrophobicContact CG1-CB 4.09Å; V234-F466 HydrophobicContact CG1-CD2 3.91Å; V234-F466 HydrophobicContact CG1-CG 4.11Å; V234-A472 HydrophobicContact CG2-CB 3.95Å
235	S	98.6	Very high	88.9	Confident	1 Å²	1	32.9 Å²	32.9	1%	0.007	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-141.3	157.5	171.8	49.9	0	0	0	0	110.3	A279 N441 V463 P464 F466	S235-A279 WeakPolarHBondContact CB-O 3.28Å; S235-N441 PolarHBondContact OG-N 3.49Å; S235-V463 WeakPolarHBondContact OG-CG1 3.38Å; S235-V463 PolarHBondContact OG-O 2.88Å; S235-V463 VanDerWaalsContact OG-O 3.12Å; S235-P464 PolarHBondContact OG-O 3.19Å; S235-F466 WeakPolarHBondContact O-CB 3.44Å; S235-F466 PolarHBondContact O-N 3.26Å
236	G	97.2	Very high	88.3	Confident	1 Å²	1	31.7 Å²	31.7	1%	0.01	23%	0.226	C	C	.	.			trans	69	49.7	170.1	0	0	0	0	0	113.2	G238 G280 N281 N441 D465 F466 S467	G236-G238 PolarHBondContact O-N 3.27Å; G236-G280 PolarHBondContact N-O 3.04Å; G236-N281 CarbonylContact C-O 3.58Å; G236-N281 VanDerWaalsContact CA-O 3.26Å; G236-N281 WeakPolarHBondContact CA-O 3.43Å; G236-N441 WeakPolarHBondContact CA-OD1 3.26Å; G236-N441 PolarHBondContact N-OD1 2.96Å; G236-D465 WeakPolarHBondContact CA-OD1 3.35Å; G236-F466 PolarHBondContact O-N 2.89Å; G236-S467 VanDerWaalsContact O-CB 3.32Å; G236-S467 WeakPolarHBondContact O-CB 3.35Å; G236-S467 PolarHBondContact O-N 2.9Å
237	L	96.7	Very high	88.2	Confident	4 Å²	4	28.9 Å²	28.9	2%	0.021	21%	0.21	C	C	.	.			trans	-61.3	-28.9	172.8	-64.8	178.8	0	0	0	111.5	V234 L239 T250 L278 N281 L282 L314 F466	V234-L237 HydrophobicContact CG1-CD2 4Å; L237-L239 VanDerWaalsContact C-N 3.29Å; L237-L239 HydrophobicContact CB-CG 4.25Å; L237-L239 PolarHBondContact O-N 2.64Å; L237-T250 HydrophobicContact CD2-CG2 4.42Å; L237-L278 HydrophobicContact CD1-CD1 4.4Å; L237-N281 PolarHBondContact N-O 2.84Å; L237-L282 HydrophobicContact CD1-CD2 4.14Å; L237-L282 HydrophobicContact CG-CD2 4.43Å; L237-L314 HydrophobicContact CD1-CD1 4.21Å; L237-F466 HydrophobicContact CD2-CD1 4.28Å
238	G	94.1	Very high	88.3	Confident	9 Å²	9	29.5 Å²	29.5	9%	0.093	21%	0.211	C	C	.	.			trans	61.9	32.8	170.6	0	0	0	0	0	114.3	G236 G240 G241 N281 L282 S284	G236-G238 PolarHBondContact O-N 3.27Å; G238-G240 PolarHBondContact O-N 3.31Å; G238-G241 CarbonylContact O-C 3.42Å; G238-G241 PolarHBondContact O-N 2.88Å; G238-N281 PolarHBondContact N-O 3.05Å; G238-N281 VanDerWaalsContact N-O 3.17Å; G238-L282 PolarHBondContact N-O 3.2Å; G238-S284 WeakPolarHBondContact O-CB 3.08Å
239	L	93.2	Very high	88.4	Confident	7 Å²	7	28.7 Å²	28.7	4%	0.037	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-62.9	135.9	-177.9	-61.1	172.1	0	0	0	110.9	L237 L247 L282 L283 S284 T287 A310 L314 I317	L237-L239 VanDerWaalsContact C-N 3.29Å; L237-L239 HydrophobicContact CB-CG 4.25Å; L237-L239 PolarHBondContact O-N 2.64Å; L239-L247 HydrophobicContact CD2-CD2 4.44Å; L239-L282 WeakPolarHBondContact CB-O 3.24Å; L239-L282 WeakPolarHBondContact CG-O 3.31Å; L239-L282 PolarHBondContact N-O 2.9Å; L239-L283 HydrophobicContact CB-CD2 4.31Å; L239-S284 PolarHBondContact O-N 2.98Å; L239-T287 WeakPolarHBondContact O-CG2 3.48Å; L239-A310 HydrophobicContact CB-CB 4.15Å; L239-L314 HydrophobicContact CD1-CB 3.66Å; L239-L314 HydrophobicContact CD1-CD1 3.96Å; L239-L314 HydrophobicContact CD1-CG 4.35Å; L239-I317 HydrophobicContact CD1-CD1 3.95Å; L239-I317 HydrophobicContact CD2-CD1 4.09Å
240	G	85.6	Confident	88.5	Confident	36 Å²	36	27.5 Å²	27.5	37%	0.371	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.8	-3	-176.6	0	0	0	0	0	115.1	G238 S286	G238-G240 PolarHBondContact O-N 3.31Å; G240-S286 VanDerWaalsContact C-OG 3.23Å; G240-S286 PolarHBondContact O-OG 3.24Å
241	G	74.7	Confident	88.4	Confident	25 Å²	25	31 Å²	31	26%	0.258	22%	0.219	S	C	.	.	S	Bend	trans	-152.9	92.4	172.7	0	0	0	0	0	111.6	G238 S284 S286	G238-G241 CarbonylContact O-C 3.42Å; G238-G241 PolarHBondContact O-N 2.88Å; G241-S284 WeakPolarHBondContact CA-OG 3.33Å; G241-S284 VanDerWaalsContact N-CB 3.32Å; G241-S284 PolarHBondContact O-OG 2.87Å; G241-S286 VanDerWaalsContact CA-OG 3.23Å; G241-S286 WeakPolarHBondContact CA-OG 3.33Å; G241-S286 PolarHBondContact N-OG 2.68Å
242	G	67.8	Low	88.4	Confident	61 Å²	61	32.7 Å²	32.7	63%	0.629	23%	0.228	S	C	*	.	S	Bend	trans	174.8	161.6	-178.4	0	0	0	0	0	110.3
243	G	66.2	Low	88.4	Confident	56 Å²	56	33 Å²	33	58%	0.577	23%	0.229	S	C	*	.			trans	-77.9	167.7	174.6	0	0	0	0	0	112.7	E245 S246	G243-E245 PolarHBondContact O-N 2.57Å; G243-E245 VanDerWaalsContact O-N 3.13Å; G243-S246 WeakPolarHBondContact O-CB 3.35Å; G243-S246 PolarHBondContact O-N 2.76Å; G243-S246 VanDerWaalsContact O-N 3.13Å
244	G	68.4	Low	88.3	Confident	61 Å²	61	33 Å²	33	63%	0.629	23%	0.23	S	C	*	.	H	α-helix	trans	-59.3	-24	-178.7	0	0	0	0	0	114.8	S246 L247 L248	G244-S246 VanDerWaalsContact C-N 3.34Å; G244-S246 PolarHBondContact O-N 2.91Å; G244-L247 WeakPolarHBondContact O-CB 3.38Å; G244-L247 PolarHBondContact O-N 2.65Å; G244-L248 PolarHBondContact O-N 3.14Å
245	E	69.9	Low	88.3	Confident	116 Å²	116	34.8 Å²	34.8	54%	0.542	24%	0.239	S	C	.	.	H	α-helix	trans	-62.6	-38.3	176.2	-165.2	179.6	-174.5	0	0	112.6	G243 L247 L248 G249 Q470	G243-E245 PolarHBondContact O-N 2.57Å; G243-E245 VanDerWaalsContact O-N 3.13Å; E245-L247 PolarHBondContact O-N 3.33Å; E245-L248 PolarHBondContact O-N 3.03Å; E245-L248 VanDerWaalsContact O-N 3.16Å; E245-G249 PolarHBondContact O-N 3Å; E245-Q470 PolarHBondContact O-NE2 3.01Å
246	S	79.2	Confident	88.3	Confident	15 Å²	15	36 Å²	36	11%	0.105	25%	0.246	C	C	.	.	H	α-helix	trans	-60.5	-34.5	175.9	178.3	0	0	0	0	112.1	G243 G244 T250	G243-S246 WeakPolarHBondContact O-CB 3.35Å; G243-S246 PolarHBondContact O-N 2.76Å; G243-S246 VanDerWaalsContact O-N 3.13Å; G244-S246 VanDerWaalsContact C-N 3.34Å; G244-S246 PolarHBondContact O-N 2.91Å; S246-T250 WeakPolarHBondContact O-CB 3.39Å; S246-T250 PolarHBondContact O-N 3.42Å; S246-T250 PolarHBondContact O-OG1 3.14Å
247	L	89	Confident	88.3	Confident	92 Å²	92	36.3 Å²	36.3	48%	0.482	25%	0.248	S	C	.	.	H	α-helix	trans	-68.5	-40.5	176.3	-61.9	175.7	0	0	0	112.1	L239 G244 E245 T250 Q251	L239-L247 HydrophobicContact CD2-CD2 4.44Å; G244-L247 WeakPolarHBondContact O-CB 3.38Å; G244-L247 PolarHBondContact O-N 2.65Å; E245-L247 PolarHBondContact O-N 3.33Å; L247-T250 PolarHBondContact O-N 2.85Å; L247-Q251 PolarHBondContact O-N 2.94Å
248	L	93.6	Very high	88.3	Confident	83 Å²	83	37.1 Å²	37.1	44%	0.435	25%	0.253	S	S	.	.	H	α-helix	trans	-64.5	-47.5	176.2	177.1	61.2	0	0	0	111	G244 E245 T250 Q251 L252	G244-L248 PolarHBondContact O-N 3.14Å; E245-L248 PolarHBondContact O-N 3.03Å; E245-L248 VanDerWaalsContact O-N 3.16Å; L248-T250 PolarHBondContact O-N 2.73Å; L248-Q251 PolarHBondContact O-N 2.77Å; L248-Q251 VanDerWaalsContact O-N 3.12Å; L248-L252 HydrophobicContact CD1-CD1 4.45Å; L248-L252 HydrophobicContact CD1-CG 4.23Å; L248-L252 HydrophobicContact CG-CD1 4.22Å; L248-L252 HydrophobicContact CG-CG 4.44Å; L248-L252 WeakPolarHBondContact O-CG 3.31Å; L248-L252 PolarHBondContact O-N 3.15Å
249	G	95	Very high	88.4	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-57.2	-40.4	175.9	0	0	0	0	0	112.2	E245 L252 L253	E245-G249 PolarHBondContact O-N 3Å; G249-L252 PolarHBondContact O-N 3.14Å; G249-L253 WeakPolarHBondContact O-CB 3.37Å; G249-L253 PolarHBondContact O-N 2.86Å
250	T	96.1	Very high	88.6	Confident	5 Å²	5	44.2 Å²	44.2	3%	0.031	29%	0.29	C	S	.	.	H	α-helix	trans	-64.9	-42.4	175.6	-56.8	0	0	0	0	111.9	L237 S246 L247 L248 L253 V254 I317	L237-T250 HydrophobicContact CD2-CG2 4.42Å; S246-T250 WeakPolarHBondContact O-CB 3.39Å; S246-T250 PolarHBondContact O-N 3.42Å; S246-T250 PolarHBondContact O-OG1 3.14Å; L247-T250 PolarHBondContact O-N 2.85Å; L248-T250 PolarHBondContact O-N 2.73Å; T250-L253 WeakPolarHBondContact O-CB 3.25Å; T250-L253 PolarHBondContact O-N 3.45Å; T250-V254 WeakPolarHBondContact O-CG2 3.43Å; T250-V254 PolarHBondContact O-N 2.93Å; T250-I317 HydrophobicContact CG2-CD1 3.87Å
251	Q	97.1	Very high	89	Confident	74 Å²	74	46.1 Å²	46.1	35%	0.346	29%	0.291	S	S	.	.	H	α-helix	trans	-63.7	-44.6	176.3	-173.7	61.5	41	0	0	111.4	L247 L248 L253 V254 D255	L247-Q251 PolarHBondContact O-N 2.94Å; L248-Q251 PolarHBondContact O-N 2.77Å; L248-Q251 VanDerWaalsContact O-N 3.12Å; Q251-L253 VanDerWaalsContact C-N 3.32Å; Q251-L253 PolarHBondContact O-N 3.03Å; Q251-V254 PolarHBondContact O-N 2.76Å; Q251-V254 VanDerWaalsContact O-N 3.16Å; Q251-D255 PolarHBondContact NE2-OD1 3.5Å; Q251-D255 WeakPolarHBondContact O-CB 3.49Å; Q251-D255 VanDerWaalsContact O-CG 3.25Å; Q251-D255 PolarHBondContact O-N 3.18Å
252	L	97.7	Very high	90	Very high	36 Å²	36	46.2 Å²	46.2	19%	0.188	29%	0.292	C	S	.	.	H	α-helix	trans	-60.3	-41.2	177.1	-67	173.4	0	0	0	111.9	L248 G249 D255 V256 L261 F487	L248-L252 HydrophobicContact CD1-CD1 4.45Å; L248-L252 HydrophobicContact CD1-CG 4.23Å; L248-L252 HydrophobicContact CG-CD1 4.22Å; L248-L252 HydrophobicContact CG-CG 4.44Å; L248-L252 WeakPolarHBondContact O-CG 3.31Å; L248-L252 PolarHBondContact O-N 3.15Å; G249-L252 PolarHBondContact O-N 3.14Å; L252-D255 PolarHBondContact O-N 2.94Å; L252-V256 WeakPolarHBondContact O-CG2 3.47Å; L252-V256 PolarHBondContact O-N 2.73Å; L252-L261 HydrophobicContact CD2-CD2 3.69Å; L252-F487 HydrophobicContact CB-CB 4.26Å; L252-F487 HydrophobicContact CB-CD1 3.72Å; L252-F487 HydrophobicContact CB-CG 4.32Å; L252-F487 HydrophobicContact CD1-CB 4.41Å
253	L	98.1	Very high	91.3	Very high	9 Å²	9	44.5 Å²	44.5	5%	0.047	27%	0.268	C	S	.	.	H	α-helix	trans	-56.8	-50.4	173.1	170.5	73.4	0	0	0	111.3	L232 V234 G249 T250 Q251 V257 F466 A472 F487	L232-L253 HydrophobicContact CD2-CD1 3.99Å; V234-L253 HydrophobicContact CG1-CD2 4.03Å; V234-L253 HydrophobicContact CG2-CD1 4.44Å; V234-L253 HydrophobicContact CG2-CD2 4.11Å; G249-L253 WeakPolarHBondContact O-CB 3.37Å; G249-L253 PolarHBondContact O-N 2.86Å; T250-L253 WeakPolarHBondContact O-CB 3.25Å; T250-L253 PolarHBondContact O-N 3.45Å; Q251-L253 VanDerWaalsContact C-N 3.32Å; Q251-L253 PolarHBondContact O-N 3.03Å; L253-V257 VanDerWaalsContact O-CG2 3.29Å; L253-V257 WeakPolarHBondContact O-CG2 3.46Å; L253-V257 PolarHBondContact O-N 2.73Å; L253-V257 VanDerWaalsContact O-N 3.16Å; L253-F466 HydrophobicContact CB-CE2 4.38Å; L253-F466 HydrophobicContact CB-CZ 3.99Å; L253-F466 HydrophobicContact CD1-CE2 4.47Å; L253-F466 HydrophobicContact CD2-CD2 4.4Å; L253-F466 HydrophobicContact CD2-CE1 4.48Å; L253-F466 HydrophobicContact CD2-CE2 3.86Å; L253-F466 HydrophobicContact CD2-CZ 3.91Å; L253-F466 HydrophobicContact CG-CE2 4.48Å; L253-F466 HydrophobicContact CG-CZ 4.48Å; L253-A472 HydrophobicContact CD1-CB 4.18Å; L253-F487 HydrophobicContact CB-CD2 4.18Å; L253-F487 HydrophobicContact CB-CE1 4.28Å; L253-F487 HydrophobicContact CB-CE2 3.93Å; L253-F487 HydrophobicContact CB-CG 4.5Å; L253-F487 HydrophobicContact CB-CZ 3.96Å; L253-F487 HydrophobicContact CD1-CD2 4.42Å; L253-F487 HydrophobicContact CD1-CE2 3.48Å; L253-F487 VanDerWaalsContact CD1-CE2 3.48Å; L253-F487 HydrophobicContact CD1-CZ 3.57Å; L253-F487 HydrophobicContact CG-CE2 4.31Å; L253-F487 HydrophobicContact CG-CZ 4.39Å
254	V	98.4	Very high	92.7	Very high	2 Å²	2	44 Å²	44	1%	0.012	25%	0.251	C	S	.	.	H	α-helix	trans	-63.3	-43.7	179.3	176.6	0	0	0	0	110.7	T250 Q251 V256 V257 T258 I317 Q320 L321	T250-V254 WeakPolarHBondContact O-CG2 3.43Å; T250-V254 PolarHBondContact O-N 2.93Å; Q251-V254 PolarHBondContact O-N 2.76Å; Q251-V254 VanDerWaalsContact O-N 3.16Å; V254-V256 PolarHBondContact O-N 2.88Å; V254-V257 PolarHBondContact O-N 2.84Å; V254-T258 HydrophobicContact CG1-CG2 3.99Å; V254-T258 VanDerWaalsContact O-CB 3.32Å; V254-T258 WeakPolarHBondContact O-CB 3.11Å; V254-T258 VanDerWaalsContact O-CG2 3.25Å; V254-T258 WeakPolarHBondContact O-CG2 3.03Å; V254-T258 PolarHBondContact O-N 3.37Å; V254-T258 PolarHBondContact O-OG1 3.37Å; V254-I317 HydrophobicContact CG2-CG2 4.02Å; V254-Q320 HydrophobicContact CG1-CB 3.83Å; V254-Q320 VanDerWaalsContact CG1-OE1 3.27Å; V254-L321 HydrophobicContact CB-CD2 4.49Å; V254-L321 HydrophobicContact CG1-CD2 4.19Å; V254-L321 HydrophobicContact CG1-CG 4.42Å; V254-L321 HydrophobicContact CG2-CD2 4.19Å; V254-L321 HydrophobicContact CG2-CG 4.28Å
255	D	98.3	Very high	93.9	Very high	38 Å²	38	41.4 Å²	41.4	20%	0.203	22%	0.224	C	C	.	.	H	α-helix	trans	-64.9	-38.9	-178.8	-72.1	-14.2	0	0	0	112.5	Q251 L252 T258 G259 Q260 L261	Q251-D255 PolarHBondContact NE2-OD1 3.5Å; Q251-D255 WeakPolarHBondContact O-CB 3.49Å; Q251-D255 VanDerWaalsContact O-CG 3.25Å; Q251-D255 PolarHBondContact O-N 3.18Å; L252-D255 PolarHBondContact O-N 2.94Å; D255-T258 WeakPolarHBondContact CA-OG1 3.34Å; D255-T258 PolarHBondContact O-OG1 2.84Å; D255-G259 PolarHBondContact O-N 3.31Å; D255-Q260 HydrophobicContact CB-CB 4.04Å; D255-Q260 PolarHBondContact O-N 2.86Å; D255-L261 HydrophobicContact CB-CB 3.95Å; D255-L261 PolarHBondContact O-N 3.3Å
256	V	97.7	Very high	95.1	Very high	26 Å²	26	39.3 Å²	39.3	16%	0.158	21%	0.214	C	C	.	.	H	α-helix	trans	-64.4	-48.3	174	167.9	0	0	0	0	110.8	L252 V254 T258 G259 L261 A270 F487	L252-V256 WeakPolarHBondContact O-CG2 3.47Å; L252-V256 PolarHBondContact O-N 2.73Å; V254-V256 PolarHBondContact O-N 2.88Å; V256-T258 PolarHBondContact O-N 2.94Å; V256-G259 PolarHBondContact O-N 2.92Å; V256-L261 HydrophobicContact CG2-CB 4.23Å; V256-L261 HydrophobicContact CG2-CD2 3.94Å; V256-L261 HydrophobicContact CG2-CG 4.39Å; V256-A270 VanDerWaalsContact O-CB 3.32Å; V256-A270 WeakPolarHBondContact O-CB 3.46Å; V256-F487 HydrophobicContact CB-CE1 4.25Å; V256-F487 HydrophobicContact CG2-CE1 3.94Å
257	V	97.3	Very high	95.9	Very high	7 Å²	7	40.8 Å²	40.8	4%	0.042	22%	0.219	C	C	.	.	H	α-helix	trans	-66.8	-39.5	-176.9	175.7	0	0	0	0	111.6	R61 L232 L253 V254 G259 V276 L321 V325	R61-V257 PolarHBondContact NH1-O 2.86Å; R61-V257 PolarHBondContact NH2-O 2.82Å; L232-V257 HydrophobicContact CD2-CG2 3.36Å; L253-V257 VanDerWaalsContact O-CG2 3.29Å; L253-V257 WeakPolarHBondContact O-CG2 3.46Å; L253-V257 PolarHBondContact O-N 2.73Å; L253-V257 VanDerWaalsContact O-N 3.16Å; V254-V257 PolarHBondContact O-N 2.84Å; V257-G259 VanDerWaalsContact C-N 3.25Å; V257-G259 PolarHBondContact O-N 3.36Å; V257-V276 HydrophobicContact CG1-CG2 3.99Å; V257-L321 HydrophobicContact CB-CD2 4.38Å; V257-L321 HydrophobicContact CG1-CD2 4.19Å; V257-V325 HydrophobicContact CG1-CG1 3.87Å
258	T	97.6	Very high	96.2	Very high	21 Å²	21	37.4 Å²	37.4	13%	0.129	20%	0.203	C	C	.	.	H	α-helix	trans	-79.5	-5.9	179.3	58.3	0	0	0	0	113.3	V254 D255 V256 Q260	V254-T258 HydrophobicContact CG1-CG2 3.99Å; V254-T258 VanDerWaalsContact O-CB 3.32Å; V254-T258 WeakPolarHBondContact O-CB 3.11Å; V254-T258 VanDerWaalsContact O-CG2 3.25Å; V254-T258 WeakPolarHBondContact O-CG2 3.03Å; V254-T258 PolarHBondContact O-N 3.37Å; V254-T258 PolarHBondContact O-OG1 3.37Å; D255-T258 WeakPolarHBondContact CA-OG1 3.34Å; D255-T258 PolarHBondContact O-OG1 2.84Å; V256-T258 PolarHBondContact O-N 2.94Å; T258-Q260 WeakPolarHBondContact OG1-CG 3.45Å
259	G	96.6	Very high	96.3	Very high	23 Å²	23	33.7 Å²	33.7	24%	0.237	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	21.2	176.5	0	0	0	0	0	114.4	D255 V256 V257	D255-G259 PolarHBondContact O-N 3.31Å; V256-G259 PolarHBondContact O-N 2.92Å; V257-G259 VanDerWaalsContact C-N 3.25Å; V257-G259 PolarHBondContact O-N 3.36Å
260	Q	96.6	Very high	96.3	Very high	142 Å²	142	33.8 Å²	33.8	66%	0.664	19%	0.185	S	C	*	.			trans	-83	-24	176.3	-56.8	-57.2	-51.1	0	0	112.6	D255 T258	D255-Q260 HydrophobicContact CB-CB 4.04Å; D255-Q260 PolarHBondContact O-N 2.86Å; T258-Q260 WeakPolarHBondContact OG1-CG 3.45Å
261	L	94.4	Very high	96.4	Very high	77 Å²	77	33.9 Å²	33.9	40%	0.403	19%	0.186	S	C	.	.	S	Bend	trans	-115.8	146.6	-178.4	-174.5	64	0	0	0	112.1	L252 D255 V256	L252-L261 HydrophobicContact CD2-CD2 3.69Å; D255-L261 HydrophobicContact CB-CB 3.95Å; D255-L261 PolarHBondContact O-N 3.3Å; V256-L261 HydrophobicContact CG2-CB 4.23Å; V256-L261 HydrophobicContact CG2-CD2 3.94Å; V256-L261 HydrophobicContact CG2-CG 4.39Å
262	G	94.4	Very high	96.3	Very high	26 Å²	26	32.9 Å²	32.9	27%	0.268	18%	0.182	S	C	.	.	S	Bend	trans	96.8	165.2	177.3	0	0	0	0	0	113.8	Q267	G262-Q267 PolarHBondContact O-NE2 3.05Å
263	D	95.7	Very high	96.3	Very high	25 Å²	25	31.4 Å²	31.4	13%	0.134	17%	0.174	C	C	.	.			trans	-77.3	177.5	173.5	-150.3	-44.5	0	0	0	110.6	H46 T47 L48 G265 E266 Q267	H46-D263 VanDerWaalsContact CA-OD2 3.26Å; H46-D263 WeakPolarHBondContact CA-OD2 3.44Å; H46-D263 WeakPolarHBondContact CB-OD2 3.38Å; T47-D263 PolarHBondContact N-OD1 2.71Å; T47-D263 PolarHBondContact N-OD2 2.78Å; T47-D263 PolarHBondContact OG1-OD1 2.99Å; L48-D263 HydrophobicContact CD1-CB 3.98Å; L48-D263 HydrophobicContact CG-CB 4.23Å; L48-D263 PolarHBondContact N-OD2 2.84Å; D263-G265 PolarHBondContact O-N 3.38Å; D263-E266 PolarHBondContact O-N 2.91Å; D263-E266 VanDerWaalsContact O-N 3.07Å; D263-Q267 WeakPolarHBondContact O-CG 3.41Å; D263-Q267 PolarHBondContact O-N 2.91Å
264	E	95.7	Very high	96.3	Very high	47 Å²	47	31 Å²	31	22%	0.22	17%	0.172	C	C	.	.	H	α-helix	trans	-54.6	-29.6	-177	-68.3	-170.4	-177.1	0	0	113.7	R44 T47 A57 F59 C268	R44-E264 IonicContact NH1-OE2 2.66Å; T47-E264 HydrophobicContact CG2-CG 4.39Å; A57-E264 HydrophobicContact CB-CG 4.04Å; A57-E264 WeakPolarHBondContact CB-OE1 3.33Å; F59-E264 HydrophobicContact CE2-CB 4.2Å; F59-E264 HydrophobicContact CE2-CG 4.45Å; F59-E264 HydrophobicContact CZ-CB 4.03Å; F59-E264 HydrophobicContact CZ-CG 4.37Å; E264-C268 WeakPolarHBondContact O-CB 3.43Å; E264-C268 PolarHBondContact O-N 3.11Å
265	G	94.3	Very high	96.3	Very high	6 Å²	6	31.5 Å²	31.5	6%	0.062	17%	0.174	C	C	.	.	H	α-helix	trans	-60.7	-55.4	174.2	0	0	0	0	0	112.8	A41 D263 C268 S269	A41-G265 VanDerWaalsContact O-CA 3.23Å; A41-G265 WeakPolarHBondContact O-CA 3.42Å; D263-G265 PolarHBondContact O-N 3.38Å; G265-C268 PolarHBondContact O-N 2.78Å; G265-S269 PolarHBondContact O-N 2.94Å; G265-S269 PolarHBondContact O-OG 3.47Å
266	E	94.7	Very high	96.3	Very high	72 Å²	72	29.8 Å²	29.8	34%	0.336	16%	0.164	S	C	.	.	H	α-helix	trans	-63.3	-44.8	177.8	-68	-67.9	168.2	0	0	111.2	F37 A41 D263 C268 S269 A270	F37-E266 VanDerWaalsContact CE1-OE2 3.27Å; F37-E266 WeakPolarHBondContact CE1-OE2 3.09Å; A41-E266 HydrophobicContact CB-CG 4.22Å; A41-E266 WeakPolarHBondContact CB-OE1 3.47Å; D263-E266 PolarHBondContact O-N 2.91Å; D263-E266 VanDerWaalsContact O-N 3.07Å; E266-C268 VanDerWaalsContact C-N 3.34Å; E266-C268 PolarHBondContact O-N 2.73Å; E266-S269 PolarHBondContact O-N 3.03Å; E266-A270 VanDerWaalsContact O-CB 3.28Å; E266-A270 WeakPolarHBondContact O-CB 3.24Å; E266-A270 PolarHBondContact O-N 2.94Å
267	Q	96.4	Very high	96.3	Very high	45 Å²	45	28.6 Å²	28.6	21%	0.21	16%	0.157	C	C	.	.	H	α-helix	trans	-63.4	-39.4	179.6	-65.3	173.7	4.2	0	0	112	F59 G262 D263 A271	F59-Q267 HydrophobicContact CD2-CB 3.82Å; F59-Q267 HydrophobicContact CE2-CB 3.91Å; G262-Q267 PolarHBondContact O-NE2 3.05Å; D263-Q267 WeakPolarHBondContact O-CG 3.41Å; D263-Q267 PolarHBondContact O-N 2.91Å; Q267-A271 WeakPolarHBondContact O-CB 3.45Å; Q267-A271 PolarHBondContact O-N 3.46Å
268	C	95.3	Very high	96.4	Very high	21 Å²	21	28.4 Å²	28.4	14%	0.142	16%	0.156	C	C	.	.	H	α-helix	trans	-66.5	-42.1	175.9	-175.6	0	0	0	0	111.7	R44 F59 E264 G265 E266 A271 H272	R44-C268 PolarHBondContact NH2-SG 3.18Å; F59-C268 HydrophobicContact CD1-CB 4.03Å; F59-C268 HydrophobicContact CD2-CB 4.4Å; F59-C268 HydrophobicContact CE1-CB 3.9Å; F59-C268 HydrophobicContact CE2-CB 4.27Å; F59-C268 HydrophobicContact CG-CB 4.29Å; F59-C268 HydrophobicContact CZ-CB 4.02Å; E264-C268 WeakPolarHBondContact O-CB 3.43Å; E264-C268 PolarHBondContact O-N 3.11Å; G265-C268 PolarHBondContact O-N 2.78Å; E266-C268 VanDerWaalsContact C-N 3.34Å; E266-C268 PolarHBondContact O-N 2.73Å; C268-A271 WeakPolarHBondContact O-CB 3.34Å; C268-A271 PolarHBondContact O-N 3.48Å; C268-H272 PolarHBondContact O-ND1 3.48Å
269	S	94.4	Very high	96.5	Very high	5 Å²	5	27.4 Å²	27.4	4%	0.035	15%	0.15	C	C	.	.	H	α-helix	trans	-66.6	-44	175.4	-64.8	0	0	0	0	111.8	A41 G265 E266 A271 H272	A41-S269 WeakPolarHBondContact CA-OG 3.32Å; A41-S269 PolarHBondContact N-OG 3.49Å; A41-S269 VanDerWaalsContact N-OG 3.15Å; G265-S269 PolarHBondContact O-N 2.94Å; G265-S269 PolarHBondContact O-OG 3.47Å; E266-S269 PolarHBondContact O-N 3.03Å; S269-A271 VanDerWaalsContact C-N 3.26Å; S269-A271 PolarHBondContact O-N 3.02Å; S269-H272 WeakPolarHBondContact O-CA 3.28Å; S269-H272 WeakPolarHBondContact O-CB 3.42Å; S269-H272 PolarHBondContact O-N 3.4Å
270	A	96.4	Very high	96.5	Very high	2 Å²	2	26.3 Å²	26.3	2%	0.017	14%	0.138	C	C	.	.	H	α-helix	trans	-59.1	-39	175.4	0	0	0	0	0	111.1	R61 V256 E266 H272 V273	R61-A270 VanDerWaalsContact NH1-C 3.31Å; R61-A270 PolarHBondContact NH1-O 3.16Å; V256-A270 VanDerWaalsContact O-CB 3.32Å; V256-A270 WeakPolarHBondContact O-CB 3.46Å; E266-A270 VanDerWaalsContact O-CB 3.28Å; E266-A270 WeakPolarHBondContact O-CB 3.24Å; E266-A270 PolarHBondContact O-N 2.94Å; A270-H272 PolarHBondContact O-N 3.17Å; A270-V273 VanDerWaalsContact O-CB 3.28Å; A270-V273 WeakPolarHBondContact O-CB 3.45Å; A270-V273 WeakPolarHBondContact O-CG2 3.37Å; A270-V273 PolarHBondContact O-N 3.34Å
271	A	97.1	Very high	96.6	Very high	7 Å²	7	20.6 Å²	20.6	6%	0.058	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-18	174.3	0	0	0	0	0	113.8	F59 R61 V62 Q267 C268 S269	F59-A271 HydrophobicContact CB-CB 3.82Å; R61-A271 WeakPolarHBondContact CD-O 3.15Å; V62-A271 WeakPolarHBondContact CG1-O 3.36Å; V62-A271 WeakPolarHBondContact CG2-O 3.47Å; V62-A271 PolarHBondContact N-O 3.04Å; Q267-A271 WeakPolarHBondContact O-CB 3.45Å; Q267-A271 PolarHBondContact O-N 3.46Å; C268-A271 WeakPolarHBondContact O-CB 3.34Å; C268-A271 PolarHBondContact O-N 3.48Å; S269-A271 VanDerWaalsContact C-N 3.26Å; S269-A271 PolarHBondContact O-N 3.02Å
272	H	96.3	Very high	96.7	Very high	54 Å²	54	16.9 Å²	16.9	25%	0.25	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-0.9	173.3	-67.9	75.9	0	0	0	114.7	V62 F230 C268 S269 A270 S274	V62-H272 HydrophobicContact CG1-CB 4.16Å; F230-H272 HydrophobicContact CD2-CB 3.95Å; F230-H272 HydrophobicContact CE2-CB 4.22Å; F230-H272 PolarHBondContact N-O 3.38Å; C268-H272 PolarHBondContact O-ND1 3.48Å; S269-H272 WeakPolarHBondContact O-CA 3.28Å; S269-H272 WeakPolarHBondContact O-CB 3.42Å; S269-H272 PolarHBondContact O-N 3.4Å; A270-H272 PolarHBondContact O-N 3.17Å; H272-S274 PolarHBondContact O-N 3.31Å
273	V	97.3	Very high	96.7	Very high	4 Å²	4	15.7 Å²	15.7	2%	0.024	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	109.1	166.9	-179.1	0	0	0	0	108.6	R61 F230 L232 A270 V276 L474	R61-V273 VanDerWaalsContact CD-O 3.3Å; R61-V273 WeakPolarHBondContact CD-O 3.37Å; F230-V273 HydrophobicContact CB-CG2 4.17Å; F230-V273 CarbonylContact O-C 3.52Å; F230-V273 WeakPolarHBondContact O-CA 3.45Å; L232-V273 HydrophobicContact CB-CG1 4.21Å; A270-V273 VanDerWaalsContact O-CB 3.28Å; A270-V273 WeakPolarHBondContact O-CB 3.45Å; A270-V273 WeakPolarHBondContact O-CG2 3.37Å; A270-V273 PolarHBondContact O-N 3.34Å; V273-V276 HydrophobicContact CG1-CG2 4.43Å; V273-L474 HydrophobicContact CG2-CD2 4.22Å
274	S	96.8	Very high	96.4	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	-33.5	-177.2	-176	0	0	0	0	111.7	V64 F230 H272 D372	V64-S274 VanDerWaalsContact CG2-O 3.31Å; V64-S274 WeakPolarHBondContact CG2-O 3.33Å; F230-S274 PolarHBondContact O-N 2.89Å; H272-S274 PolarHBondContact O-N 3.31Å; S274-D372 PolarHBondContact OG-OD2 3.11Å
275	R	98.3	Very high	95.9	Very high	14 Å²	14	18.1 Å²	18.1	5%	0.053	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	150.5	-174	-167.4	167.5	-74.4	-97.4	-4.2	112.5	Y67 V231 L232 P326 D328	Y67-R275 VanDerWaalsContact CE2-CZ 3.49Å; Y67-R275 VanDerWaalsContact CG-NH2 3.3Å; V231-R275 WeakPolarHBondContact CA-O 3.36Å; L232-R275 PolarHBondContact N-O 3.06Å; R275-P326 HydrophobicContact CG-CB 4.42Å; R275-D328 WeakPolarHBondContact CD-OD2 3.23Å; R275-D328 IonicContact NH1-OD1 3.23Å; R275-D328 PolarHBondContact NH1-OD1 3.21Å; R275-D328 IonicContact NH1-OD2 2.9Å; R275-D328 PolarHBondContact NH1-OD2 2.91Å
276	V	98.8	Very high	95.4	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.012	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	133.4	171.3	-178.6	0	0	0	0	109.2	L232 V257 V273 L278 V325 P326 V327 D328	L232-V276 HydrophobicContact CB-CG2 4.24Å; L232-V276 HydrophobicContact CD2-CG1 4.27Å; L232-V276 HydrophobicContact CD2-CG2 4.16Å; L232-V276 CarbonylContact O-C 3.52Å; L232-V276 WeakPolarHBondContact O-CA 3.37Å; V257-V276 HydrophobicContact CG1-CG2 3.99Å; V273-V276 HydrophobicContact CG1-CG2 4.43Å; V276-L278 HydrophobicContact CG1-CD2 3.93Å; V276-L278 HydrophobicContact CG1-CG 4.41Å; V276-V325 HydrophobicContact CB-CG1 4.5Å; V276-V325 HydrophobicContact CG2-CG1 3.59Å; V276-V325 HydrophobicContact CG2-CG2 4.23Å; V276-P326 PolarHBondContact N-O 3.33Å; V276-V327 WeakPolarHBondContact O-CA 3.24Å; V276-D328 PolarHBondContact O-N 2.82Å
277	I	98.9	Very high	94.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	121.3	173	-55.2	178.1	0	0	0	108.2	V231 L232 L233 V234 D328 M330 Y367 I371 F438	V231-I277 HydrophobicContact CG1-CD1 3.97Å; V231-I277 HydrophobicContact CG1-CG1 4.16Å; L232-I277 PolarHBondContact O-N 3.32Å; L233-I277 HydrophobicContact CD2-CB 3.81Å; L233-I277 HydrophobicContact CD2-CD1 3.79Å; L233-I277 HydrophobicContact CD2-CG1 4.14Å; L233-I277 HydrophobicContact CD2-CG2 4.45Å; V234-I277 PolarHBondContact N-O 3.16Å; I277-D328 WeakPolarHBondContact CA-O 3.25Å; I277-D328 HydrophobicContact CG1-CB 4.39Å; I277-M330 HydrophobicContact CG2-SD 3.89Å; I277-Y367 HydrophobicContact CD1-CE1 4.1Å; I277-Y367 HydrophobicContact CG2-CD1 4.38Å; I277-Y367 HydrophobicContact CG2-CE1 4.47Å; I277-I371 HydrophobicContact CD1-CD1 4.13Å; I277-F438 HydrophobicContact CG2-CZ 4.21Å
278	L	98.9	Very high	93.7	Very high	3 Å²	3	19.7 Å²	19.7	2%	0.016	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	103.9	173.4	-54.8	-178	0	0	0	109.2	V234 L237 V276 G280 L282 L318 V327 D328 V329 M330	V234-L278 HydrophobicContact CB-CD2 3.77Å; V234-L278 HydrophobicContact CG1-CD2 4.45Å; V234-L278 HydrophobicContact CG2-CD2 4.1Å; V234-L278 CarbonylContact O-C 3.45Å; V234-L278 WeakPolarHBondContact O-CA 3.46Å; L237-L278 HydrophobicContact CD1-CD1 4.4Å; V276-L278 HydrophobicContact CG1-CD2 3.93Å; V276-L278 HydrophobicContact CG1-CG 4.41Å; L278-G280 PolarHBondContact O-N 2.74Å; L278-L282 HydrophobicContact CB-CD2 3.76Å; L278-L282 HydrophobicContact CD1-CD2 4.3Å; L278-L318 HydrophobicContact CD1-CD2 3.66Å; L278-V327 HydrophobicContact CD1-CG1 4.13Å; L278-V327 HydrophobicContact CG-CG1 4.2Å; L278-D328 PolarHBondContact N-O 2.71Å; L278-V329 HydrophobicContact CD1-CG2 4.39Å; L278-M330 WeakPolarHBondContact O-CB 3.5Å; L278-M330 PolarHBondContact O-N 2.97Å
279	A	98.7	Very high	92	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	60.6	-169.5	0	0	0	0	0	113.4	V234 S235 M330 F438 N441	V234-A279 PolarHBondContact O-N 3.27Å; S235-A279 WeakPolarHBondContact CB-O 3.28Å; A279-M330 HydrophobicContact CB-SD 4.02Å; A279-F438 HydrophobicContact CB-CE2 3.88Å; A279-N441 PolarHBondContact O-ND2 3.36Å; A279-N441 VanDerWaalsContact O-ND2 3.1Å
280	G	98	Very high	90.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.154	C	C	.	.	S	Bend	trans	70.7	172.8	170.8	0	0	0	0	0	116.3	G236 L278 L282 M330 N441	G236-G280 PolarHBondContact N-O 3.04Å; L278-G280 PolarHBondContact O-N 2.74Å; G280-L282 VanDerWaalsContact C-N 3.31Å; G280-M330 VanDerWaalsContact CA-O 3.23Å; G280-M330 WeakPolarHBondContact CA-O 3.42Å; G280-M330 PolarHBondContact N-O 2.84Å; G280-N441 PolarHBondContact O-OD1 3Å
281	N	96.9	Very high	87.8	Confident	22 Å²	22	35.9 Å²	35.9	12%	0.118	18%	0.182	C	C	.	.			trans	56.5	46.5	-172.5	-64.5	-3.4	0	0	0	111.2	G236 L237 G238 L283 E333 D335 N441	G236-N281 CarbonylContact C-O 3.58Å; G236-N281 VanDerWaalsContact CA-O 3.26Å; G236-N281 WeakPolarHBondContact CA-O 3.43Å; L237-N281 PolarHBondContact N-O 2.84Å; G238-N281 PolarHBondContact N-O 3.05Å; G238-N281 VanDerWaalsContact N-O 3.17Å; N281-L283 VanDerWaalsContact C-N 3.3Å; N281-E333 PolarHBondContact OD1-N 2.94Å; N281-D335 PolarHBondContact N-OD2 3.05Å; N281-N441 WeakPolarHBondContact CB-OD1 3.35Å
282	L	97.1	Very high	85.6	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.198	C	C	.	.			trans	-70.1	-36.9	177.6	-50.4	171	0	0	0	109.8	L237 G238 L239 L278 G280 L314 V329 D335 L346	L237-L282 HydrophobicContact CD1-CD2 4.14Å; L237-L282 HydrophobicContact CG-CD2 4.43Å; G238-L282 PolarHBondContact N-O 3.2Å; L239-L282 WeakPolarHBondContact CB-O 3.24Å; L239-L282 WeakPolarHBondContact CG-O 3.31Å; L239-L282 PolarHBondContact N-O 2.9Å; L278-L282 HydrophobicContact CB-CD2 3.76Å; L278-L282 HydrophobicContact CD1-CD2 4.3Å; G280-L282 VanDerWaalsContact C-N 3.31Å; L282-L314 HydrophobicContact CB-CD1 4.08Å; L282-L314 HydrophobicContact CB-CD2 3.7Å; L282-L314 HydrophobicContact CD1-CD1 4.38Å; L282-L314 HydrophobicContact CD1-CD2 3.87Å; L282-L314 HydrophobicContact CG-CD2 4.43Å; L282-V329 HydrophobicContact CD1-CG1 3.28Å; L282-D335 PolarHBondContact N-OD1 3.11Å; L282-D335 VanDerWaalsContact N-OD1 3.14Å; L282-D335 PolarHBondContact N-OD2 3.07Å; L282-L346 HydrophobicContact CD1-CD1 4.03Å
283	L	94.2	Very high	83.4	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.005	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-98.3	145.9	171.2	-49.9	-177.2	0	0	0	110.5	L239 N281 T287 A310 V311 L314 D335	L239-L283 HydrophobicContact CB-CD2 4.31Å; N281-L283 VanDerWaalsContact C-N 3.3Å; L283-T287 HydrophobicContact CB-CG2 4.31Å; L283-A310 HydrophobicContact CD2-CB 3.84Å; L283-V311 HydrophobicContact CD1-CG2 3.71Å; L283-V311 HydrophobicContact CD2-CG2 4.27Å; L283-L314 HydrophobicContact CD2-CD2 4.07Å; L283-D335 PolarHBondContact N-OD1 3.34Å
284	S	90.4	Very high	81.2	Confident	24 Å²	24	49.1 Å²	49.1	17%	0.168	26%	0.257	C	S	.	.			trans	-75	154.6	177	-175.5	0	0	0	0	112.1	G238 L239 G241 S286 T287	G238-S284 WeakPolarHBondContact O-CB 3.08Å; L239-S284 PolarHBondContact O-N 2.98Å; G241-S284 WeakPolarHBondContact CA-OG 3.33Å; G241-S284 VanDerWaalsContact N-CB 3.32Å; G241-S284 PolarHBondContact O-OG 2.87Å; S284-S286 WeakPolarHBondContact CB-OG 3.44Å; S284-S286 PolarHBondContact O-N 3.12Å; S284-S286 VanDerWaalsContact O-N 3.14Å; S284-S286 PolarHBondContact OG-N 2.83Å; S284-S286 PolarHBondContact OG-OG 2.64Å; S284-T287 WeakPolarHBondContact O-CB 3.38Å; S284-T287 WeakPolarHBondContact O-CG2 3.47Å; S284-T287 PolarHBondContact O-N 3.25Å; S284-T287 PolarHBondContact O-OG1 3.1Å
285	H	85.5	Confident	79	Confident	99 Å²	99	54.9 Å²	54.9	46%	0.458	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-53	-31	169.4	174	-88.9	0	0	0	112.8	T287 Q288 F334	H285-T287 PolarHBondContact O-N 3.2Å; H285-T287 VanDerWaalsContact O-N 3.14Å; H285-Q288 VanDerWaalsContact O-CB 3.28Å; H285-Q288 WeakPolarHBondContact O-CB 3.42Å; H285-Q288 PolarHBondContact O-N 3.39Å; H285-F334 HydrophobicContact CB-CD1 3.96Å; H285-F334 HydrophobicContact CB-CD2 3.94Å; H285-F334 HydrophobicContact CB-CE1 3.93Å; H285-F334 HydrophobicContact CB-CE2 3.88Å; H285-F334 HydrophobicContact CB-CG 3.98Å; H285-F334 HydrophobicContact CB-CZ 3.88Å; H285-F334 AromaticContact CD2-CD1 3.82Å; H285-F334 AromaticContact CD2-CE1 3.47Å; H285-F334 VanDerWaalsContact CD2-CE1 3.47Å; H285-F334 WeakPolarHBondContact CD2-CE1 3.33Å
286	S	83.9	Confident	77	Confident	63 Å²	63	56.1 Å²	56.1	44%	0.441	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-60.4	-22.8	176.4	57.9	0	0	0	0	113.6	G240 G241 S284 Q288	G240-S286 VanDerWaalsContact C-OG 3.23Å; G240-S286 PolarHBondContact O-OG 3.24Å; G241-S286 VanDerWaalsContact CA-OG 3.23Å; G241-S286 WeakPolarHBondContact CA-OG 3.33Å; G241-S286 PolarHBondContact N-OG 2.68Å; S284-S286 WeakPolarHBondContact CB-OG 3.44Å; S284-S286 PolarHBondContact O-N 3.12Å; S284-S286 VanDerWaalsContact O-N 3.14Å; S284-S286 PolarHBondContact OG-N 2.83Å; S284-S286 PolarHBondContact OG-OG 2.64Å; S286-Q288 VanDerWaalsContact C-N 3.25Å; S286-Q288 PolarHBondContact O-N 3.45Å
287	T	80.8	Confident	74.9	Confident	9 Å²	9	65.1 Å²	65.1	6%	0.055	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-74.5	-18.6	176.5	70.6	0	0	0	0	112.5	L239 L283 S284 H285 S289 A310	L239-T287 WeakPolarHBondContact O-CG2 3.48Å; L283-T287 HydrophobicContact CB-CG2 4.31Å; S284-T287 WeakPolarHBondContact O-CB 3.38Å; S284-T287 WeakPolarHBondContact O-CG2 3.47Å; S284-T287 PolarHBondContact O-N 3.25Å; S284-T287 PolarHBondContact O-OG1 3.1Å; H285-T287 PolarHBondContact O-N 3.2Å; H285-T287 VanDerWaalsContact O-N 3.14Å; T287-S289 VanDerWaalsContact C-N 3.29Å; T287-S289 PolarHBondContact O-N 2.92Å; T287-A310 HydrophobicContact CG2-CB 3.93Å
288	Q	74.6	Confident	73	Confident	83 Å²	83	73.5 Å²	73.5	39%	0.388	37%	0.367	S	S	.	.	S	Bend	trans	-80.9	71.9	175	-58.4	-67.3	-36.6	0	0	109.4	H285 S286 R290 F334	H285-Q288 VanDerWaalsContact O-CB 3.28Å; H285-Q288 WeakPolarHBondContact O-CB 3.42Å; H285-Q288 PolarHBondContact O-N 3.39Å; S286-Q288 VanDerWaalsContact C-N 3.25Å; S286-Q288 PolarHBondContact O-N 3.45Å; Q288-R290 PolarHBondContact O-N 3.19Å; Q288-F334 HydrophobicContact CG-CB 4.16Å; Q288-F334 HydrophobicContact CG-CD1 4.38Å; Q288-F334 PolarHBondContact NE2-O 2.98Å
289	S	59.6	Low	70.8	Confident	65 Å²	65	79 Å²	79	46%	0.455	40%	0.395	S	S	.	.			trans	-64.2	94.1	-179.6	176.2	0	0	0	0	112.1	T287 D291 S292	T287-S289 VanDerWaalsContact C-N 3.29Å; T287-S289 PolarHBondContact O-N 2.92Å; S289-D291 VanDerWaalsContact C-N 3.3Å; S289-S292 PolarHBondContact O-OG 3.07Å; S289-S292 PolarHBondContact OG-N 3.21Å
290	R	53.7	Low	68.7	Low	192 Å²	192	81.3 Å²	81.3	73%	0.725	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-69.1	-26.6	170.3	-75.2	-176.7	167.2	178	-2.7	113	Q288 S292 I293	Q288-R290 PolarHBondContact O-N 3.19Å; R290-S292 PolarHBondContact O-N 2.66Å; R290-I293 PolarHBondContact O-N 3.03Å
291	D	48.7	Very low	66.5	Low	111 Å²	111	90.2 Å²	90.2	59%	0.594	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-64.3	-24.1	178.8	-74.8	-9.4	0	0	0	113.9	S289 I293	S289-D291 VanDerWaalsContact C-N 3.3Å; D291-I293 VanDerWaalsContact C-N 3.3Å
292	S	50.1	Low	64	Low	58 Å²	58	99.1 Å²	99.1	41%	0.406	49%	0.486	S	S	.	.	G	3₁₀ helix	trans	-74.4	-19.1	178.8	68.4	0	0	0	0	113.5	S289 R290	S289-S292 PolarHBondContact O-OG 3.07Å; S289-S292 PolarHBondContact OG-N 3.21Å; R290-S292 PolarHBondContact O-N 2.66Å
293	I	51.2	Low	61.7	Low	134 Å²	134	104 Å²	104	69%	0.687	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-32	-179.8	-58.7	172.7	0	0	0	110.7	R290 D291	R290-I293 PolarHBondContact O-N 3.03Å; D291-I293 VanDerWaalsContact C-N 3.3Å
294	N	49.5	Very low	59.8	Low	152 Å²	152	110.9 Å²	110.9	81%	0.813	55%	0.548	S	S	*	.	S	Bend	trans	-96.9	-4.1	-178.5	-70.3	-24.2	0	0	0	114.1
295	K	52.1	Low	58.4	Low	121 Å²	121	112.3 Å²	112.3	53%	0.526	56%	0.561	S	S	.	*	S	Bend	trans	-105.9	137.5	178.7	-74	174.6	-178.1	166.8	0	110.7	K297 T300	K295-K297 PolarHBondContact O-N 3.29Å; K295-T300 HydrophobicContact CB-CG2 4.34Å
296	A	54.7	Low	57.7	Low	39 Å²	39	110.2 Å²	110.2	32%	0.322	56%	0.561	S	S	.	*			trans	-62	135.4	179.6	0	0	0	0	0	111.5	Y298 L299	A296-Y298 HydrophobicContact CB-CD1 3.75Å; A296-Y298 HydrophobicContact CB-CE1 3.21Å; A296-Y298 HydrophobicContact CB-CE2 4.37Å; A296-Y298 PolarHBondContact O-N 3.15Å; A296-L299 HydrophobicContact CB-CD1 4.37Å; A296-L299 WeakPolarHBondContact O-CB 3.15Å; A296-L299 PolarHBondContact O-N 3.41Å
297	K	55.2	Low	57.4	Low	191 Å²	191	109 Å²	109	83%	0.83	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.3	-19.7	-173	-68.4	-178	178.4	179.2	0	115.6	K295 T300	K295-K297 PolarHBondContact O-N 3.29Å; K297-T300 PolarHBondContact O-OG1 3.43Å
298	Y	59.2	Low	57.6	Low	177 Å²	177	112.9 Å²	112.9	69%	0.694	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	-20.9	177.1	59.2	-96.2	0	0	0	113.7	A296	A296-Y298 HydrophobicContact CB-CD1 3.75Å; A296-Y298 HydrophobicContact CB-CE1 3.21Å; A296-Y298 HydrophobicContact CB-CE2 4.37Å; A296-Y298 PolarHBondContact O-N 3.15Å
299	L	52.9	Low	58.3	Low	117 Å²	117	111.4 Å²	111.4	61%	0.613	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	-18.7	178	-78	155.6	0	0	0	113	A296	A296-L299 HydrophobicContact CB-CD1 4.37Å; A296-L299 WeakPolarHBondContact O-CB 3.15Å; A296-L299 PolarHBondContact O-N 3.41Å
300	T	54.6	Low	59.8	Low	49 Å²	49	108.3 Å²	108.3	30%	0.301	55%	0.547	S	S	.	.	S	Bend	trans	-93.5	-1.1	179.7	53	0	0	0	0	113.4	K295 K297 K302 T303	K295-T300 HydrophobicContact CB-CG2 4.34Å; K297-T300 PolarHBondContact O-OG1 3.43Å; T300-K302 PolarHBondContact O-N 3.27Å; T300-K302 VanDerWaalsContact O-N 3.09Å; T300-T303 PolarHBondContact O-N 3.39Å; T300-T303 VanDerWaalsContact O-N 3.14Å
301	K	51.1	Low	61.8	Low	187 Å²	187	100.2 Å²	100.2	81%	0.813	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-14.8	-171.7	-147.8	175.9	-173.9	-179.6	0	115
302	K	44.7	Very low	64	Low	209 Å²	209	101 Å²	101	91%	0.909	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.7	-3.1	178	-71.3	-172.9	177.6	-177.4	0	113.8	T300 Q304	T300-K302 PolarHBondContact O-N 3.27Å; T300-K302 VanDerWaalsContact O-N 3.09Å; K302-Q304 PolarHBondContact O-N 2.84Å
303	T	49.8	Very low	66.2	Low	104 Å²	104	101.3 Å²	101.3	64%	0.638	51%	0.513	S	S	*	.	S	Bend	trans	-90.7	105.5	177	-52.5	0	0	0	0	107.1	T300 A305	T300-T303 PolarHBondContact O-N 3.39Å; T300-T303 VanDerWaalsContact O-N 3.14Å; T303-A305 PolarHBondContact O-N 2.93Å; T303-A305 VanDerWaalsContact O-N 3.07Å
304	Q	53.3	Low	68.4	Low	145 Å²	145	95 Å²	95	68%	0.678	48%	0.481	S	S	*	.			trans	-56.1	117	166.7	-150.7	-177.6	-2.7	0	0	106.5	K302 A306 E309	K302-Q304 PolarHBondContact O-N 2.84Å; Q304-A306 PolarHBondContact O-N 3.49Å; Q304-A306 VanDerWaalsContact O-N 3.13Å; Q304-E309 VanDerWaalsContact CG-CD 3.42Å; Q304-E309 WeakPolarHBondContact CG-OE1 3.42Å; Q304-E309 WeakPolarHBondContact CG-OE2 3.45Å; Q304-E309 VanDerWaalsContact NE2-CD 3.27Å; Q304-E309 PolarHBondContact NE2-OE1 3.4Å
305	A	62	Low	70.7	Confident	53 Å²	53	88 Å²	88	44%	0.438	44%	0.443	S	S	.	.			trans	-72.1	112.4	-174.5	0	0	0	0	0	106.8	T303 S307 V308	T303-A305 PolarHBondContact O-N 2.93Å; T303-A305 VanDerWaalsContact O-N 3.07Å; A305-S307 CarbonylContact O-C 3.53Å; A305-S307 PolarHBondContact O-N 3.33Å; A305-V308 HydrophobicContact CB-CG2 4.24Å; A305-V308 WeakPolarHBondContact O-CB 3.35Å; A305-V308 PolarHBondContact O-N 2.91Å
306	A	69.8	Low	72.9	Confident	55 Å²	55	85.7 Å²	85.7	46%	0.455	43%	0.434	S	S	.	.	H	α-helix	trans	-46.3	-24	-179.2	0	0	0	0	0	114.5	Q304 A310	Q304-A306 PolarHBondContact O-N 3.49Å; Q304-A306 VanDerWaalsContact O-N 3.13Å; A306-A310 WeakPolarHBondContact O-CB 3.31Å; A306-A310 PolarHBondContact O-N 3.32Å; A306-A310 VanDerWaalsContact O-N 3.12Å
307	S	78	Confident	75	Confident	37 Å²	37	84.9 Å²	84.9	26%	0.259	42%	0.424	S	S	.	.	H	α-helix	trans	-60.1	-40.7	169.5	-178.2	0	0	0	0	114.3	A305 A310 V311	A305-S307 CarbonylContact O-C 3.53Å; A305-S307 PolarHBondContact O-N 3.33Å; S307-A310 PolarHBondContact O-N 3.33Å; S307-V311 VanDerWaalsContact O-CG2 3.27Å; S307-V311 WeakPolarHBondContact O-CG2 3.48Å; S307-V311 PolarHBondContact O-N 3.19Å
308	V	85.8	Confident	77.1	Confident	92 Å²	92	75.8 Å²	75.8	56%	0.558	39%	0.385	S	S	*	.	H	α-helix	trans	-66.7	-43.9	179.9	177.8	0	0	0	0	110.9	A305 A310 V311 K312	A305-V308 HydrophobicContact CB-CG2 4.24Å; A305-V308 WeakPolarHBondContact O-CB 3.35Å; A305-V308 PolarHBondContact O-N 2.91Å; V308-A310 VanDerWaalsContact C-N 3.34Å; V308-V311 PolarHBondContact O-N 2.72Å; V308-K312 PolarHBondContact O-N 3.25Å
309	E	87.9	Confident	79	Confident	51 Å²	51	69.8 Å²	69.8	24%	0.238	37%	0.365	C	S	.	.	H	α-helix	trans	-65.6	-41.5	177.2	-71.4	61.7	-111.2	0	0	110.6	Q304 V311 K312 M313	Q304-E309 VanDerWaalsContact CG-CD 3.42Å; Q304-E309 WeakPolarHBondContact CG-OE1 3.42Å; Q304-E309 WeakPolarHBondContact CG-OE2 3.45Å; Q304-E309 VanDerWaalsContact NE2-CD 3.27Å; Q304-E309 PolarHBondContact NE2-OE1 3.4Å; E309-V311 PolarHBondContact O-N 3.14Å; E309-K312 WeakPolarHBondContact O-CB 3.5Å; E309-K312 PolarHBondContact O-N 2.81Å; E309-M313 WeakPolarHBondContact O-CG 3.45Å; E309-M313 PolarHBondContact O-N 3.09Å
310	A	92	Very high	81.1	Confident	0 Å²	0	68 Å²	68	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-62.3	-41.5	176.7	0	0	0	0	0	112.1	L239 L283 T287 A306 S307 V308 M313 L314	L239-A310 HydrophobicContact CB-CB 4.15Å; L283-A310 HydrophobicContact CD2-CB 3.84Å; T287-A310 HydrophobicContact CG2-CB 3.93Å; A306-A310 WeakPolarHBondContact O-CB 3.31Å; A306-A310 PolarHBondContact O-N 3.32Å; A306-A310 VanDerWaalsContact O-N 3.12Å; S307-A310 PolarHBondContact O-N 3.33Å; V308-A310 VanDerWaalsContact C-N 3.34Å; A310-M313 HydrophobicContact CB-CE 4.48Å; A310-M313 PolarHBondContact O-N 3.22Å; A310-L314 WeakPolarHBondContact O-CB 3.3Å; A310-L314 PolarHBondContact O-N 2.91Å
311	V	94.9	Very high	83.2	Confident	22 Å²	22	66.1 Å²	66.1	13%	0.133	34%	0.341	C	S	.	.	H	α-helix	trans	-65.5	-39	174.3	172.1	0	0	0	0	111.6	L283 S307 V308 E309 L314 D315 M350	L283-V311 HydrophobicContact CD1-CG2 3.71Å; L283-V311 HydrophobicContact CD2-CG2 4.27Å; S307-V311 VanDerWaalsContact O-CG2 3.27Å; S307-V311 WeakPolarHBondContact O-CG2 3.48Å; S307-V311 PolarHBondContact O-N 3.19Å; V308-V311 PolarHBondContact O-N 2.72Å; E309-V311 PolarHBondContact O-N 3.14Å; V311-L314 WeakPolarHBondContact O-CB 3.32Å; V311-L314 PolarHBondContact O-N 2.84Å; V311-D315 PolarHBondContact O-N 3.07Å; V311-M350 HydrophobicContact CG1-CB 4.01Å; V311-M350 HydrophobicContact CG1-CE 4.02Å; V311-M350 WeakPolarHBondContact CG1-O 3.46Å; V311-M350 HydrophobicContact CG2-CE 3.81Å
312	K	95.5	Very high	85.5	Confident	129 Å²	129	57.2 Å²	57.2	56%	0.561	30%	0.303	S	S	*	.	H	α-helix	trans	-61.9	-46.8	175.1	-173	-178.9	-179.9	-81.2	0	111.6	V308 E309 L314 D315 E316	V308-K312 PolarHBondContact O-N 3.25Å; E309-K312 WeakPolarHBondContact O-CB 3.5Å; E309-K312 PolarHBondContact O-N 2.81Å; K312-L314 VanDerWaalsContact C-N 3.3Å; K312-L314 PolarHBondContact O-N 3.42Å; K312-D315 PolarHBondContact O-N 2.93Å; K312-E316 IonicContact NZ-OE1 2.66Å; K312-E316 PolarHBondContact NZ-OE1 2.76Å; K312-E316 WeakPolarHBondContact O-CG 3.23Å; K312-E316 PolarHBondContact O-N 3.14Å
313	M	95.3	Very high	88	Confident	63 Å²	63	50 Å²	50	31%	0.31	28%	0.282	S	S	.	.	H	α-helix	trans	-61.8	-40	175.9	-70.5	-175.7	-67.2	0	0	111.5	E309 A310 E316 I317	E309-M313 WeakPolarHBondContact O-CG 3.45Å; E309-M313 PolarHBondContact O-N 3.09Å; A310-M313 HydrophobicContact CB-CE 4.48Å; A310-M313 PolarHBondContact O-N 3.22Å; M313-E316 PolarHBondContact O-N 3.19Å; M313-I317 WeakPolarHBondContact O-CG1 3.33Å; M313-I317 PolarHBondContact O-N 2.96Å
314	L	97.7	Very high	90.3	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-61.5	-44.3	175.1	-176.7	56.5	0	0	0	111.7	L237 L239 L282 L283 A310 V311 K312 E316 I317 L318 F351	L237-L314 HydrophobicContact CD1-CD1 4.21Å; L239-L314 HydrophobicContact CD1-CB 3.66Å; L239-L314 HydrophobicContact CD1-CD1 3.96Å; L239-L314 HydrophobicContact CD1-CG 4.35Å; L282-L314 HydrophobicContact CB-CD1 4.08Å; L282-L314 HydrophobicContact CB-CD2 3.7Å; L282-L314 HydrophobicContact CD1-CD1 4.38Å; L282-L314 HydrophobicContact CD1-CD2 3.87Å; L282-L314 HydrophobicContact CG-CD2 4.43Å; L283-L314 HydrophobicContact CD2-CD2 4.07Å; A310-L314 WeakPolarHBondContact O-CB 3.3Å; A310-L314 PolarHBondContact O-N 2.91Å; V311-L314 WeakPolarHBondContact O-CB 3.32Å; V311-L314 PolarHBondContact O-N 2.84Å; K312-L314 VanDerWaalsContact C-N 3.3Å; K312-L314 PolarHBondContact O-N 3.42Å; L314-E316 VanDerWaalsContact C-N 3.32Å; L314-E316 PolarHBondContact O-N 2.97Å; L314-I317 PolarHBondContact O-N 3.05Å; L314-L318 HydrophobicContact CD1-CD1 4.25Å; L314-L318 HydrophobicContact CD1-CG 4.13Å; L314-L318 HydrophobicContact CG-CD1 4.04Å; L314-L318 HydrophobicContact CG-CG 4.36Å; L314-L318 WeakPolarHBondContact O-CB 3.49Å; L314-L318 VanDerWaalsContact O-CG 3.23Å; L314-L318 WeakPolarHBondContact O-CG 3.36Å; L314-L318 PolarHBondContact O-N 2.81Å; L314-F351 HydrophobicContact CB-CE1 4.41Å; L314-F351 HydrophobicContact CD2-CE1 3.7Å; L314-F351 HydrophobicContact CD2-CZ 3.95Å; L314-F351 HydrophobicContact CG-CE1 3.85Å; L314-F351 HydrophobicContact CG-CZ 4.48Å
315	D	98.6	Very high	92.4	Very high	6 Å²	6	40 Å²	40	3%	0.032	23%	0.232	C	C	.	.	H	α-helix	trans	-61.1	-39.6	176.2	-169.5	30.4	0	0	0	111.9	V311 K312 L318 L319 F351 P352 L353 A354	V311-D315 PolarHBondContact O-N 3.07Å; K312-D315 PolarHBondContact O-N 2.93Å; D315-L318 PolarHBondContact O-N 2.91Å; D315-L319 VanDerWaalsContact O-CB 3.27Å; D315-L319 WeakPolarHBondContact O-CB 3.35Å; D315-L319 PolarHBondContact O-N 2.89Å; D315-F351 HydrophobicContact CB-CD1 4.05Å; D315-F351 VanDerWaalsContact CG-CA 3.46Å; D315-F351 WeakPolarHBondContact OD1-CA 3.47Å; D315-F351 WeakPolarHBondContact OD1-CB 3.42Å; D315-P352 WeakPolarHBondContact OD2-CD 3.18Å; D315-P352 WeakPolarHBondContact OD2-CG 3.17Å; D315-L353 PolarHBondContact OD1-N 2.87Å; D315-L353 VanDerWaalsContact OD2-CB 3.3Å; D315-L353 WeakPolarHBondContact OD2-CB 3.36Å; D315-L353 VanDerWaalsContact OD2-CG 3.27Å; D315-L353 WeakPolarHBondContact OD2-CG 3.38Å; D315-L353 PolarHBondContact OD2-N 2.78Å; D315-A354 WeakPolarHBondContact OD1-CB 3.32Å; D315-A354 PolarHBondContact OD1-N 3.34Å
316	E	98.3	Very high	94.1	Very high	72 Å²	72	38.5 Å²	38.5	34%	0.336	22%	0.218	S	C	.	.	H	α-helix	trans	-65.5	-42.3	175.6	-70.9	172.3	-172.2	0	0	112.4	K312 M313 L314 L319 Q320 L353	K312-E316 IonicContact NZ-OE1 2.66Å; K312-E316 PolarHBondContact NZ-OE1 2.76Å; K312-E316 WeakPolarHBondContact O-CG 3.23Å; K312-E316 PolarHBondContact O-N 3.14Å; M313-E316 PolarHBondContact O-N 3.19Å; L314-E316 VanDerWaalsContact C-N 3.32Å; L314-E316 PolarHBondContact O-N 2.97Å; E316-L319 WeakPolarHBondContact O-CB 3.43Å; E316-L319 PolarHBondContact O-N 3.23Å; E316-Q320 WeakPolarHBondContact O-CG 3.37Å; E316-Q320 PolarHBondContact O-N 3.07Å; E316-Q320 VanDerWaalsContact O-N 3.15Å; E316-L353 HydrophobicContact CG-CD1 4.15Å
317	I	98.5	Very high	95.5	Very high	22 Å²	22	35.9 Å²	35.9	11%	0.113	20%	0.196	C	C	.	.	H	α-helix	trans	-64.3	-46.9	174.7	-70.4	162.6	0	0	0	110.4	L239 T250 V254 M313 L314 L319 Q320 L321	L239-I317 HydrophobicContact CD1-CD1 3.95Å; L239-I317 HydrophobicContact CD2-CD1 4.09Å; T250-I317 HydrophobicContact CG2-CD1 3.87Å; V254-I317 HydrophobicContact CG2-CG2 4.02Å; M313-I317 WeakPolarHBondContact O-CG1 3.33Å; M313-I317 PolarHBondContact O-N 2.96Å; L314-I317 PolarHBondContact O-N 3.05Å; I317-L319 VanDerWaalsContact C-N 3.27Å; I317-L319 PolarHBondContact O-N 2.86Å; I317-Q320 PolarHBondContact O-N 3.09Å; I317-L321 HydrophobicContact CG2-CD1 3.99Å; I317-L321 PolarHBondContact O-N 3.46Å
318	L	98.8	Very high	96.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.9	-36	178.3	-71.1	177.4	0	0	0	111.4	L278 L314 D315 S322 V327 V329 F351 A354 L360	L278-L318 HydrophobicContact CD1-CD2 3.66Å; L314-L318 HydrophobicContact CD1-CD1 4.25Å; L314-L318 HydrophobicContact CD1-CG 4.13Å; L314-L318 HydrophobicContact CG-CD1 4.04Å; L314-L318 HydrophobicContact CG-CG 4.36Å; L314-L318 WeakPolarHBondContact O-CB 3.49Å; L314-L318 VanDerWaalsContact O-CG 3.23Å; L314-L318 WeakPolarHBondContact O-CG 3.36Å; L314-L318 PolarHBondContact O-N 2.81Å; D315-L318 PolarHBondContact O-N 2.91Å; L318-S322 WeakPolarHBondContact O-CB 3.34Å; L318-S322 PolarHBondContact O-N 3.04Å; L318-S322 PolarHBondContact O-OG 2.89Å; L318-V327 HydrophobicContact CD2-CG1 4.08Å; L318-V329 HydrophobicContact CD1-CG2 4.27Å; L318-V329 HydrophobicContact CD2-CG2 3.6Å; L318-F351 HydrophobicContact CD1-CD1 3.82Å; L318-F351 HydrophobicContact CD1-CE1 3.83Å; L318-F351 HydrophobicContact CD1-CG 4.17Å; L318-F351 HydrophobicContact CD1-CZ 4.18Å; L318-A354 HydrophobicContact CB-CB 3.5Å; L318-L360 HydrophobicContact CD1-CD1 4.37Å; L318-L360 HydrophobicContact CD2-CD1 4.16Å
319	L	98.7	Very high	97.1	Very high	52 Å²	52	29.7 Å²	29.7	27%	0.272	16%	0.157	S	C	.	.	H	α-helix	trans	-58.9	-50.5	173.4	171.4	69.8	0	0	0	111.1	D315 E316 I317 S322 A323 L353 A354 Y357	D315-L319 VanDerWaalsContact O-CB 3.27Å; D315-L319 WeakPolarHBondContact O-CB 3.35Å; D315-L319 PolarHBondContact O-N 2.89Å; E316-L319 WeakPolarHBondContact O-CB 3.43Å; E316-L319 PolarHBondContact O-N 3.23Å; I317-L319 VanDerWaalsContact C-N 3.27Å; I317-L319 PolarHBondContact O-N 2.86Å; L319-S322 PolarHBondContact O-N 2.9Å; L319-A323 WeakPolarHBondContact O-CB 3.46Å; L319-A323 PolarHBondContact O-N 3Å; L319-L353 HydrophobicContact CB-CB 4.21Å; L319-L353 HydrophobicContact CD1-CB 4.24Å; L319-L353 HydrophobicContact CD2-CB 4.12Å; L319-L353 HydrophobicContact CD2-CD1 4.21Å; L319-L353 HydrophobicContact CG-CB 4.42Å; L319-A354 HydrophobicContact CB-CB 4.48Å; L319-Y357 HydrophobicContact CD1-CD2 4.04Å; L319-Y357 HydrophobicContact CD1-CE2 3.46Å; L319-Y357 VanDerWaalsContact CD1-CE2 3.46Å
320	Q	98.4	Very high	97.7	Very high	79 Å²	79	27.3 Å²	27.3	37%	0.369	15%	0.146	S	C	.	.	H	α-helix	trans	-62.2	-45.4	-179.3	-68.9	-179.5	16.4	0	0	111.9	V254 E316 I317	V254-Q320 HydrophobicContact CG1-CB 3.83Å; V254-Q320 VanDerWaalsContact CG1-OE1 3.27Å; E316-Q320 WeakPolarHBondContact O-CG 3.37Å; E316-Q320 PolarHBondContact O-N 3.07Å; E316-Q320 VanDerWaalsContact O-N 3.15Å; I317-Q320 PolarHBondContact O-N 3.09Å
321	L	98.6	Very high	98	Very high	9 Å²	9	27.3 Å²	27.3	5%	0.047	15%	0.146	C	C	.	.	H	α-helix	trans	-65.5	-48.7	177.7	-68.9	171.8	0	0	0	111.5	V254 V257 I317 A323 S324 V325 V327	V254-L321 HydrophobicContact CB-CD2 4.49Å; V254-L321 HydrophobicContact CG1-CD2 4.19Å; V254-L321 HydrophobicContact CG1-CG 4.42Å; V254-L321 HydrophobicContact CG2-CD2 4.19Å; V254-L321 HydrophobicContact CG2-CG 4.28Å; V257-L321 HydrophobicContact CB-CD2 4.38Å; V257-L321 HydrophobicContact CG1-CD2 4.19Å; I317-L321 HydrophobicContact CG2-CD1 3.99Å; I317-L321 PolarHBondContact O-N 3.46Å; L321-A323 PolarHBondContact O-N 2.82Å; L321-S324 PolarHBondContact O-N 2.81Å; L321-V325 PolarHBondContact O-N 3.32Å; L321-V327 HydrophobicContact CB-CG2 3.6Å
322	S	98.3	Very high	98.1	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.007	14%	0.14	C	C	.	.	H	α-helix	trans	-64.8	-27.8	-176.4	-55.3	0	0	0	0	112.3	L318 L319 S324 T359	L318-S322 WeakPolarHBondContact O-CB 3.34Å; L318-S322 PolarHBondContact O-N 3.04Å; L318-S322 PolarHBondContact O-OG 2.89Å; L319-S322 PolarHBondContact O-N 2.9Å; S322-S324 PolarHBondContact O-N 3.19Å; S322-T359 PolarHBondContact O-OG1 2.78Å
323	A	97.9	Very high	98.1	Very high	57 Å²	57	24.1 Å²	24.1	47%	0.471	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-19.3	173	0	0	0	0	0	113.5	L319 L321 Y357	L319-A323 WeakPolarHBondContact O-CB 3.46Å; L319-A323 PolarHBondContact O-N 3Å; L321-A323 PolarHBondContact O-N 2.82Å; A323-Y357 HydrophobicContact CB-CE1 3.91Å; A323-Y357 HydrophobicContact CB-CE2 4.44Å
324	S	97.4	Very high	97.9	Very high	38 Å²	38	23.1 Å²	23.1	27%	0.266	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.6	-32.4	-170.4	-160.2	0	0	0	0	115	R61 L321 S322	R61-S324 PolarHBondContact NE-O 2.93Å; R61-S324 VanDerWaalsContact NE-O 3.1Å; R61-S324 PolarHBondContact NH2-OG 3.27Å; L321-S324 PolarHBondContact O-N 2.81Å; S322-S324 PolarHBondContact O-N 3.19Å
325	V	97.9	Very high	97.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.127	C	C	.	.	S	Bend	trans	-147.7	149.4	-174.1	65.7	0	0	0	0	110.9	V257 V276 L321 V327	V257-V325 HydrophobicContact CG1-CG1 3.87Å; V276-V325 HydrophobicContact CB-CG1 4.5Å; V276-V325 HydrophobicContact CG2-CG1 3.59Å; V276-V325 HydrophobicContact CG2-CG2 4.23Å; L321-V325 PolarHBondContact O-N 3.32Å; V325-V327 HydrophobicContact CG1-CG2 4.31Å; V325-V327 WeakPolarHBondContact O-CG2 3.43Å; V325-V327 PolarHBondContact O-N 3.37Å
326	P	98.6	Very high	97.6	Very high	22 Å²	22	26.1 Å²	26.1	14%	0.143	15%	0.145	C	C	.	.			trans	-60.8	131	168.8	-28.8	40.6	0	0	0	112.8	V64 R275 V276 T359	V64-P326 HydrophobicContact CG2-CG 3.82Å; R275-P326 HydrophobicContact CG-CB 4.42Å; V276-P326 PolarHBondContact N-O 3.33Å; P326-T359 CarbonylContact C-O 3.58Å; P326-T359 WeakPolarHBondContact CA-O 3.49Å; P326-T359 HydrophobicContact CG-CG2 4.33Å
327	V	98.8	Very high	97.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	121.2	-176.2	-171.1	0	0	0	0	109.9	V276 L278 L318 L321 V325 V329 T359 L360 Q361	V276-V327 WeakPolarHBondContact O-CA 3.24Å; L278-V327 HydrophobicContact CD1-CG1 4.13Å; L278-V327 HydrophobicContact CG-CG1 4.2Å; L318-V327 HydrophobicContact CD2-CG1 4.08Å; L321-V327 HydrophobicContact CB-CG2 3.6Å; V325-V327 HydrophobicContact CG1-CG2 4.31Å; V325-V327 WeakPolarHBondContact O-CG2 3.43Å; V325-V327 PolarHBondContact O-N 3.37Å; V327-V329 HydrophobicContact CG1-CG2 4Å; V327-T359 PolarHBondContact N-O 3.14Å; V327-L360 HydrophobicContact CB-CD1 4.37Å; V327-Q361 PolarHBondContact O-N 3.31Å
328	D	98.9	Very high	97.3	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	123.7	170	-62.9	-31.7	0	0	0	109.7	R275 V276 I277 L278 Q361 V363 Y367	R275-D328 WeakPolarHBondContact CD-OD2 3.23Å; R275-D328 IonicContact NH1-OD1 3.23Å; R275-D328 PolarHBondContact NH1-OD1 3.21Å; R275-D328 IonicContact NH1-OD2 2.9Å; R275-D328 PolarHBondContact NH1-OD2 2.91Å; V276-D328 PolarHBondContact O-N 2.82Å; I277-D328 WeakPolarHBondContact CA-O 3.25Å; I277-D328 HydrophobicContact CG1-CB 4.39Å; L278-D328 PolarHBondContact N-O 2.71Å; D328-Q361 CarbonylContact C-O 3.48Å; D328-Q361 WeakPolarHBondContact CA-O 3.26Å; D328-Q361 WeakPolarHBondContact OD1-CB 3.46Å; D328-V363 HydrophobicContact CB-CG1 4.42Å; D328-V363 HydrophobicContact CB-CG2 4.36Å; D328-Y367 HydrophobicContact CB-CE1 4.07Å; D328-Y367 VanDerWaalsContact CG-OH 3.26Å; D328-Y367 PolarHBondContact OD2-OH 3.01Å
329	V	98.9	Very high	97	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	113.1	-177	-173.7	0	0	0	0	109.8	L278 L282 L318 V327 L346 L360 Q361 L362 V363	L278-V329 HydrophobicContact CD1-CG2 4.39Å; L282-V329 HydrophobicContact CD1-CG1 3.28Å; L318-V329 HydrophobicContact CD1-CG2 4.27Å; L318-V329 HydrophobicContact CD2-CG2 3.6Å; V327-V329 HydrophobicContact CG1-CG2 4Å; V329-L346 HydrophobicContact CG1-CD1 4.15Å; V329-L360 HydrophobicContact CG2-CD1 3.71Å; V329-Q361 PolarHBondContact N-O 3.11Å; V329-L362 HydrophobicContact CB-CD2 3.83Å; V329-L362 HydrophobicContact CG1-CD2 4.33Å; V329-L362 HydrophobicContact CG2-CD2 4.15Å; V329-V363 WeakPolarHBondContact O-CG2 3.28Å; V329-V363 PolarHBondContact O-N 2.81Å
330	M	98.8	Very high	96.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	141.7	174	-59.8	168.7	58.5	0	0	109.9	I277 L278 A279 G280 V363 N365 Y367 F438	I277-M330 HydrophobicContact CG2-SD 3.89Å; L278-M330 WeakPolarHBondContact O-CB 3.5Å; L278-M330 PolarHBondContact O-N 2.97Å; A279-M330 HydrophobicContact CB-SD 4.02Å; G280-M330 VanDerWaalsContact CA-O 3.23Å; G280-M330 WeakPolarHBondContact CA-O 3.42Å; G280-M330 PolarHBondContact N-O 2.84Å; M330-V363 HydrophobicContact CB-CG2 4.32Å; M330-V363 HydrophobicContact CG-CG2 3.51Å; M330-N365 HydrophobicContact CE-CB 4.49Å; M330-Y367 HydrophobicContact CG-CD1 4.23Å; M330-Y367 HydrophobicContact CG-CG 4.28Å; M330-Y367 HydrophobicContact SD-CD1 3.9Å; M330-Y367 HydrophobicContact SD-CG 4.19Å; M330-F438 HydrophobicContact CE-CE2 4.33Å; M330-F438 HydrophobicContact CE-CZ 4.41Å; M330-F438 HydrophobicContact SD-CE2 3.99Å; M330-F438 HydrophobicContact SD-CZ 3.84Å
331	P	98.6	Very high	96.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.155	C	C	.	.			trans	-75.8	149.3	168.9	32	-35.9	0	0	0	111.8	D335 T337 Q343 L346 V363 N365 S380	P331-D335 HydrophobicContact CB-CB 4.42Å; P331-T337 HydrophobicContact CB-CG2 3.47Å; P331-T337 VanDerWaalsContact CB-CG2 3.47Å; P331-T337 HydrophobicContact CG-CG2 4.07Å; P331-Q343 HydrophobicContact CB-CB 4.45Å; P331-Q343 HydrophobicContact CG-CB 3.77Å; P331-Q343 PolarHBondContact O-OE1 3.1Å; P331-L346 HydrophobicContact CB-CD2 4.09Å; P331-L346 HydrophobicContact CB-CG 4.27Å; P331-V363 WeakPolarHBondContact CD-O 3.33Å; P331-N365 HydrophobicContact CG-CB 4.01Å; P331-N365 WeakPolarHBondContact O-CB 3.43Å; P331-N365 PolarHBondContact O-ND2 2.84Å; P331-S380 WeakPolarHBondContact O-CB 3.33Å; P331-S380 PolarHBondContact O-OG 2.89Å
332	G	97.4	Very high	96.8	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.152	C	C	.	.			trans	-117	-161	170.4	0	0	0	0	0	113.4	D335 Q343 Q382	G332-D335 WeakPolarHBondContact CA-OD2 3.31Å; G332-D335 PolarHBondContact N-OD2 3.12Å; G332-Q343 PolarHBondContact O-NE2 3.39Å; G332-Q343 PolarHBondContact O-OE1 3.22Å; G332-Q382 VanDerWaalsContact C-NE2 3.33Å
333	E	94.6	Very high	96.8	Very high	84 Å²	84	28 Å²	28	39%	0.393	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-37.1	-174.2	-172.5	176.7	168.2	0	0	112.5	N281 Q382	N281-E333 PolarHBondContact OD1-N 2.94Å; E333-Q382 HydrophobicContact CB-CG 4.25Å; E333-Q382 VanDerWaalsContact N-NE2 3.13Å
334	F	91.8	Very high	96.8	Very high	42 Å²	42	26.6 Å²	26.6	18%	0.184	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	11.1	-175	-47	-52.2	0	0	0	113.7	H285 Q288	H285-F334 HydrophobicContact CB-CD1 3.96Å; H285-F334 HydrophobicContact CB-CD2 3.94Å; H285-F334 HydrophobicContact CB-CE1 3.93Å; H285-F334 HydrophobicContact CB-CE2 3.88Å; H285-F334 HydrophobicContact CB-CG 3.98Å; H285-F334 HydrophobicContact CB-CZ 3.88Å; H285-F334 AromaticContact CD2-CD1 3.82Å; H285-F334 AromaticContact CD2-CE1 3.47Å; H285-F334 VanDerWaalsContact CD2-CE1 3.47Å; H285-F334 WeakPolarHBondContact CD2-CE1 3.33Å; Q288-F334 HydrophobicContact CG-CB 4.16Å; Q288-F334 HydrophobicContact CG-CD1 4.38Å; Q288-F334 PolarHBondContact NE2-O 2.98Å
335	D	95.6	Very high	96.8	Very high	6 Å²	6	26.6 Å²	26.6	3%	0.032	14%	0.135	C	C	.	.	S	Bend	trans	-93.2	150.7	178.4	-60.8	-45.8	0	0	0	110.8	N281 L282 L283 P331 G332 T337 L346	N281-D335 PolarHBondContact N-OD2 3.05Å; L282-D335 PolarHBondContact N-OD1 3.11Å; L282-D335 VanDerWaalsContact N-OD1 3.14Å; L282-D335 PolarHBondContact N-OD2 3.07Å; L283-D335 PolarHBondContact N-OD1 3.34Å; P331-D335 HydrophobicContact CB-CB 4.42Å; G332-D335 WeakPolarHBondContact CA-OD2 3.31Å; G332-D335 PolarHBondContact N-OD2 3.12Å; D335-T337 VanDerWaalsContact C-N 3.3Å; D335-T337 PolarHBondContact O-N 3.1Å; D335-L346 HydrophobicContact CB-CD2 4Å
336	P	94.5	Very high	96.9	Very high	65 Å²	65	26.8 Å²	26.8	42%	0.422	14%	0.136	S	C	.	.	S	Bend	trans	-78.3	73.6	-170.7	31.6	-36.3	0	0	0	112.8	L346 M350	P336-L346 HydrophobicContact CG-CD2 4.31Å; P336-M350 HydrophobicContact CG-CE 3.2Å; P336-M350 HydrophobicContact CG-SD 3.51Å; P336-M350 VanDerWaalsContact CG-SD 3.51Å
337	T	94.9	Very high	96.8	Very high	41 Å²	41	31.5 Å²	31.5	25%	0.252	16%	0.156	S	C	.	.	S	Bend	trans	-137.9	-170	172.1	-171.3	0	0	0	0	110.6	P331 D335 Q343 Q344	P331-T337 HydrophobicContact CB-CG2 3.47Å; P331-T337 VanDerWaalsContact CB-CG2 3.47Å; P331-T337 HydrophobicContact CG-CG2 4.07Å; D335-T337 VanDerWaalsContact C-N 3.3Å; D335-T337 PolarHBondContact O-N 3.1Å; T337-Q343 HydrophobicContact CG2-CB 3.92Å; T337-Q343 HydrophobicContact CG2-CG 4.44Å; T337-Q344 PolarHBondContact OG1-O 3.46Å
338	N	94.8	Very high	96.8	Very high	32 Å²	32	34.8 Å²	34.8	17%	0.171	18%	0.178	C	C	.	.			trans	-65.9	144.4	173.3	58.8	-75.2	0	0	0	112.1	T340 P342 Q343 Q344	N338-T340 PolarHBondContact ND2-O 2.91Å; N338-P342 PolarHBondContact ND2-O 2.9Å; N338-Q343 WeakPolarHBondContact O-CG 3.5Å; N338-Q343 PolarHBondContact O-NE2 2.9Å; N338-Q343 VanDerWaalsContact O-NE2 3.14Å; N338-Q344 WeakPolarHBondContact OD1-CB 3.12Å; N338-Q344 WeakPolarHBondContact OD1-CG 3.42Å; N338-Q344 PolarHBondContact OD1-N 2.58Å
339	Y	93.2	Very high	96.7	Very high	161 Å²	161	39.3 Å²	39.3	63%	0.631	21%	0.208	S	C	*	.	S	Bend	trans	-71.3	-38.6	177.4	178.2	-101.3	0	0	0	112.8
340	T	95.7	Very high	96.6	Very high	30 Å²	30	40.8 Å²	40.8	18%	0.184	22%	0.215	C	C	.	.	S	Bend	trans	-72.4	144.1	-174.7	53.4	0	0	0	0	112.6	N338 P342 Q343 G418	N338-T340 PolarHBondContact ND2-O 2.91Å; T340-P342 CarbonylContact O-C 3.54Å; T340-P342 VanDerWaalsContact O-C 3.27Å; T340-Q343 PolarHBondContact O-N 2.98Å; T340-G418 WeakPolarHBondContact CA-O 3.48Å
341	L	97.4	Very high	96.6	Very high	8 Å²	8	40.8 Å²	40.8	4%	0.042	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-72.7	142.8	167.2	-71	177.2	0	0	0	111.4	Q343 L417 G418 C419 Y420 F428	L341-Q343 HydrophobicContact CD2-CG 4.31Å; L341-L417 HydrophobicContact CD1-CD2 3.49Å; L341-L417 VanDerWaalsContact CD1-CD2 3.49Å; L341-L417 HydrophobicContact CD1-CG 4.14Å; L341-L417 HydrophobicContact CG-CD2 4.41Å; L341-G418 PolarHBondContact N-O 3.28Å; L341-C419 HydrophobicContact CB-CB 4.24Å; L341-C419 CarbonylContact O-C 3.6Å; L341-C419 WeakPolarHBondContact O-CA 3.19Å; L341-C419 VanDerWaalsContact O-CB 3.29Å; L341-C419 WeakPolarHBondContact O-CB 3.41Å; L341-Y420 PolarHBondContact O-N 2.72Å; L341-F428 HydrophobicContact CB-CE1 4.31Å; L341-F428 HydrophobicContact CB-CE2 4.39Å; L341-F428 HydrophobicContact CB-CZ 3.62Å
342	P	97.9	Very high	96.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.244	C	C	.	.	S	Bend	cis	-73.7	135.2	-11	30.3	-34.7	0	0	0	112.1	F74 L76 N338 T340 Q344 N365 F422	F74-P342 HydrophobicContact CB-CB 3.82Å; F74-P342 HydrophobicContact CB-CG 4.35Å; F74-P342 HydrophobicContact CD1-CB 4.3Å; F74-P342 HydrophobicContact CG-CB 4.48Å; F74-P342 WeakPolarHBondContact O-CB 3.43Å; F74-P342 WeakPolarHBondContact O-CG 3.12Å; L76-P342 HydrophobicContact CD1-CG 4.2Å; L76-P342 HydrophobicContact CD2-CG 4.27Å; L76-P342 HydrophobicContact CG-CG 4.09Å; N338-P342 PolarHBondContact ND2-O 2.9Å; T340-P342 CarbonylContact O-C 3.54Å; T340-P342 VanDerWaalsContact O-C 3.27Å; P342-Q344 PolarHBondContact O-NE2 2.86Å; P342-Q344 VanDerWaalsContact O-NE2 3.14Å; P342-N365 CarbonylContact C-O 3.54Å; P342-N365 VanDerWaalsContact CA-O 3.24Å; P342-N365 WeakPolarHBondContact CA-O 3.47Å; P342-F422 HydrophobicContact CG-CZ 4Å
343	Q	98.4	Very high	96.6	Very high	3 Å²	3	48.9 Å²	48.9	1%	0.014	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-72.1	129.6	172.6	-52.7	-175.3	-82.8	0	0	109.8	P331 G332 T337 N338 T340 L341 T364 N365	P331-Q343 HydrophobicContact CB-CB 4.45Å; P331-Q343 HydrophobicContact CG-CB 3.77Å; P331-Q343 PolarHBondContact O-OE1 3.1Å; G332-Q343 PolarHBondContact O-NE2 3.39Å; G332-Q343 PolarHBondContact O-OE1 3.22Å; T337-Q343 HydrophobicContact CG2-CB 3.92Å; T337-Q343 HydrophobicContact CG2-CG 4.44Å; N338-Q343 WeakPolarHBondContact O-CG 3.5Å; N338-Q343 PolarHBondContact O-NE2 2.9Å; N338-Q343 VanDerWaalsContact O-NE2 3.14Å; T340-Q343 PolarHBondContact O-N 2.98Å; L341-Q343 HydrophobicContact CD2-CG 4.31Å; Q343-T364 WeakPolarHBondContact O-CA 3.46Å; Q343-N365 HydrophobicContact CB-CB 4.14Å; Q343-N365 PolarHBondContact N-O 2.99Å; Q343-N365 PolarHBondContact O-N 3.24Å; Q343-N365 PolarHBondContact OE1-ND2 3.06Å
344	Q	98.3	Very high	96.8	Very high	26 Å²	26	44.9 Å²	44.9	12%	0.121	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-77.9	156.6	178.1	-60.1	-51.6	-72.4	0	0	110.6	F74 T337 N338 P342	F74-Q344 PolarHBondContact O-NE2 2.95Å; T337-Q344 PolarHBondContact OG1-O 3.46Å; N338-Q344 WeakPolarHBondContact OD1-CB 3.12Å; N338-Q344 WeakPolarHBondContact OD1-CG 3.42Å; N338-Q344 PolarHBondContact OD1-N 2.58Å; P342-Q344 PolarHBondContact O-NE2 2.86Å; P342-Q344 VanDerWaalsContact O-NE2 3.14Å
345	P	98.6	Very high	97.1	Very high	38 Å²	38	45.9 Å²	45.9	25%	0.247	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-55.4	150.6	-178.8	-23.9	34.4	0	0	0	112.9	L362 V363 T364	P345-L362 HydrophobicContact CB-CB 4.07Å; P345-V363 VanDerWaalsContact CA-O 3.31Å; P345-V363 WeakPolarHBondContact CA-O 3.3Å; P345-T364 HydrophobicContact CG-CG2 4.09Å
346	L	98.3	Very high	97.2	Very high	4 Å²	4	49.6 Å²	49.6	2%	0.021	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-58.9	150.5	170.6	-62.1	176.5	0	0	0	110.5	L282 V329 P331 D335 P336 M350 F351 L362	L282-L346 HydrophobicContact CD1-CD1 4.03Å; V329-L346 HydrophobicContact CG1-CD1 4.15Å; P331-L346 HydrophobicContact CB-CD2 4.09Å; P331-L346 HydrophobicContact CB-CG 4.27Å; D335-L346 HydrophobicContact CB-CD2 4Å; P336-L346 HydrophobicContact CG-CD2 4.31Å; L346-M350 HydrophobicContact CB-SD 4.45Å; L346-F351 HydrophobicContact CB-CE2 3.97Å; L346-F351 HydrophobicContact CD1-CE2 4.09Å; L346-F351 HydrophobicContact CD1-CZ 3.95Å; L346-L362 HydrophobicContact CB-CD1 4.42Å; L346-L362 WeakPolarHBondContact O-CD1 3.46Å
347	H	98.1	Very high	97.4	Very high	121 Å²	121	51.4 Å²	51.4	56%	0.56	29%	0.285	S	S	*	.	P	Polyproline II helix	trans	-82.6	131	-176.1	-165.7	-89	0	0	0	110.9	C349 M350	H347-C349 VanDerWaalsContact ND1-CB 3.34Å; H347-C349 WeakPolarHBondContact ND1-CB 3.23Å; H347-C349 PolarHBondContact ND1-N 2.76Å; H347-C349 PolarHBondContact ND1-SG 2.85Å; H347-C349 PolarHBondContact O-N 3.2Å; H347-M350 WeakPolarHBondContact O-CB 3.44Å; H347-M350 WeakPolarHBondContact O-CG 3.34Å; H347-M350 PolarHBondContact O-N 2.99Å; H347-M350 VanDerWaalsContact O-N 3.09Å
348	P	98.1	Very high	97.5	Very high	70 Å²	70	55.6 Å²	55.6	46%	0.455	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-56.4	-24	-177.8	-28.4	35.3	0	0	0	115.3	M350 F351 T355 L362	P348-M350 PolarHBondContact O-N 3.5Å; P348-F351 PolarHBondContact O-N 3.17Å; P348-T355 HydrophobicContact CB-CG2 3.98Å; P348-L362 HydrophobicContact CG-CD1 4.11Å
349	C	97.6	Very high	97.6	Very high	94 Å²	94	56.1 Å²	56.1	64%	0.635	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-60.9	-17.3	178	76.5	0	0	0	0	114	H347 F351	H347-C349 VanDerWaalsContact ND1-CB 3.34Å; H347-C349 WeakPolarHBondContact ND1-CB 3.23Å; H347-C349 PolarHBondContact ND1-N 2.76Å; H347-C349 PolarHBondContact ND1-SG 2.85Å; H347-C349 PolarHBondContact O-N 3.2Å; C349-F351 VanDerWaalsContact C-N 3.3Å
350	M	96.9	Very high	97.9	Very high	31 Å²	31	49.5 Å²	49.5	15%	0.153	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-75.6	-20.9	176.1	-64.2	175	58.1	0	0	113	V311 P336 L346 H347 P348 P352	V311-M350 HydrophobicContact CG1-CB 4.01Å; V311-M350 HydrophobicContact CG1-CE 4.02Å; V311-M350 WeakPolarHBondContact CG1-O 3.46Å; V311-M350 HydrophobicContact CG2-CE 3.81Å; P336-M350 HydrophobicContact CG-CE 3.2Å; P336-M350 HydrophobicContact CG-SD 3.51Å; P336-M350 VanDerWaalsContact CG-SD 3.51Å; L346-M350 HydrophobicContact CB-SD 4.45Å; H347-M350 WeakPolarHBondContact O-CB 3.44Å; H347-M350 WeakPolarHBondContact O-CG 3.34Å; H347-M350 PolarHBondContact O-N 2.99Å; H347-M350 VanDerWaalsContact O-N 3.09Å; P348-M350 PolarHBondContact O-N 3.5Å; M350-P352 WeakPolarHBondContact O-CD 3.34Å
351	F	98.1	Very high	98	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	30%	0.299	C	S	.	.			trans	-126.3	60	-167.3	-51.8	-58.2	0	0	0	111.9	L314 D315 L318 L346 P348 C349 L353 A354 T355 L362	L314-F351 HydrophobicContact CB-CE1 4.41Å; L314-F351 HydrophobicContact CD2-CE1 3.7Å; L314-F351 HydrophobicContact CD2-CZ 3.95Å; L314-F351 HydrophobicContact CG-CE1 3.85Å; L314-F351 HydrophobicContact CG-CZ 4.48Å; D315-F351 HydrophobicContact CB-CD1 4.05Å; D315-F351 VanDerWaalsContact CG-CA 3.46Å; D315-F351 WeakPolarHBondContact OD1-CA 3.47Å; D315-F351 WeakPolarHBondContact OD1-CB 3.42Å; L318-F351 HydrophobicContact CD1-CD1 3.82Å; L318-F351 HydrophobicContact CD1-CE1 3.83Å; L318-F351 HydrophobicContact CD1-CG 4.17Å; L318-F351 HydrophobicContact CD1-CZ 4.18Å; L346-F351 HydrophobicContact CB-CE2 3.97Å; L346-F351 HydrophobicContact CD1-CE2 4.09Å; L346-F351 HydrophobicContact CD1-CZ 3.95Å; P348-F351 PolarHBondContact O-N 3.17Å; C349-F351 VanDerWaalsContact C-N 3.3Å; F351-L353 PolarHBondContact O-N 3.1Å; F351-A354 HydrophobicContact CB-CB 4.43Å; F351-T355 HydrophobicContact CB-CG2 4.02Å; F351-T355 VanDerWaalsContact O-CB 3.32Å; F351-T355 WeakPolarHBondContact O-CB 3.48Å; F351-T355 WeakPolarHBondContact O-CG2 3.46Å; F351-T355 PolarHBondContact O-N 2.79Å; F351-T355 VanDerWaalsContact O-N 3.11Å; F351-T355 PolarHBondContact O-OG1 2.74Å; F351-L362 HydrophobicContact CD2-CD1 3.95Å; F351-L362 HydrophobicContact CD2-CD2 4.04Å; F351-L362 HydrophobicContact CE2-CD1 4.17Å; F351-L362 HydrophobicContact CE2-CD2 3.93Å
352	P	98	Very high	98.1	Very high	94 Å²	94	51.4 Å²	51.4	61%	0.61	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-28.4	-177.1	25.2	-35.6	0	0	0	113.8	D315 M350	D315-P352 WeakPolarHBondContact OD2-CD 3.18Å; D315-P352 WeakPolarHBondContact OD2-CG 3.17Å; M350-P352 WeakPolarHBondContact O-CD 3.34Å
353	L	98.6	Very high	98.1	Very high	77 Å²	77	51.4 Å²	51.4	40%	0.403	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-53.1	178.9	-58	175.4	0	0	0	111.3	D315 E316 L319 F351 T355 A356	D315-L353 PolarHBondContact OD1-N 2.87Å; D315-L353 VanDerWaalsContact OD2-CB 3.3Å; D315-L353 WeakPolarHBondContact OD2-CB 3.36Å; D315-L353 VanDerWaalsContact OD2-CG 3.27Å; D315-L353 WeakPolarHBondContact OD2-CG 3.38Å; D315-L353 PolarHBondContact OD2-N 2.78Å; E316-L353 HydrophobicContact CG-CD1 4.15Å; L319-L353 HydrophobicContact CB-CB 4.21Å; L319-L353 HydrophobicContact CD1-CB 4.24Å; L319-L353 HydrophobicContact CD2-CB 4.12Å; L319-L353 HydrophobicContact CD2-CD1 4.21Å; L319-L353 HydrophobicContact CG-CB 4.42Å; F351-L353 PolarHBondContact O-N 3.1Å; L353-T355 VanDerWaalsContact C-N 3.35Å; L353-T355 PolarHBondContact O-N 2.63Å; L353-A356 VanDerWaalsContact O-CB 3.28Å; L353-A356 WeakPolarHBondContact O-CB 3.13Å; L353-A356 PolarHBondContact O-N 2.95Å
354	A	98.3	Very high	98.1	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-71.4	-29.8	-171.7	0	0	0	0	0	112.9	D315 L318 L319 F351 A356 Y357 L360	D315-A354 WeakPolarHBondContact OD1-CB 3.32Å; D315-A354 PolarHBondContact OD1-N 3.34Å; L318-A354 HydrophobicContact CB-CB 3.5Å; L319-A354 HydrophobicContact CB-CB 4.48Å; F351-A354 HydrophobicContact CB-CB 4.43Å; A354-A356 PolarHBondContact O-N 3.38Å; A354-A356 VanDerWaalsContact O-N 3.14Å; A354-Y357 PolarHBondContact O-N 2.82Å; A354-L360 HydrophobicContact CB-CD2 3.66Å
355	T	97.8	Very high	98.2	Very high	63 Å²	63	50 Å²	50	39%	0.387	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-67.8	-8.9	176.8	55.2	0	0	0	0	114.2	P348 F351 L353 Y357 L360	P348-T355 HydrophobicContact CB-CG2 3.98Å; F351-T355 HydrophobicContact CB-CG2 4.02Å; F351-T355 VanDerWaalsContact O-CB 3.32Å; F351-T355 WeakPolarHBondContact O-CB 3.48Å; F351-T355 WeakPolarHBondContact O-CG2 3.46Å; F351-T355 PolarHBondContact O-N 2.79Å; F351-T355 VanDerWaalsContact O-N 3.11Å; F351-T355 PolarHBondContact O-OG1 2.74Å; L353-T355 VanDerWaalsContact C-N 3.35Å; L353-T355 PolarHBondContact O-N 2.63Å; T355-Y357 PolarHBondContact O-N 3.34Å; T355-L360 HydrophobicContact CG2-CD2 4.03Å
356	A	97.8	Very high	98.2	Very high	84 Å²	84	48.2 Å²	48.2	69%	0.694	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-64.6	-22.3	168.8	0	0	0	0	0	112.5	L353 A354	L353-A356 VanDerWaalsContact O-CB 3.28Å; L353-A356 WeakPolarHBondContact O-CB 3.13Å; L353-A356 PolarHBondContact O-N 2.95Å; A354-A356 PolarHBondContact O-N 3.38Å; A354-A356 VanDerWaalsContact O-N 3.14Å
357	Y	98.2	Very high	98.2	Very high	103 Å²	103	48 Å²	48	40%	0.404	28%	0.283	S	S	.	.	S	Bend	trans	-99.6	133.3	179.7	-69	-94.1	0	0	0	111.9	L319 A323 A354 T355 T359 L360	L319-Y357 HydrophobicContact CD1-CD2 4.04Å; L319-Y357 HydrophobicContact CD1-CE2 3.46Å; L319-Y357 VanDerWaalsContact CD1-CE2 3.46Å; A323-Y357 HydrophobicContact CB-CE1 3.91Å; A323-Y357 HydrophobicContact CB-CE2 4.44Å; A354-Y357 PolarHBondContact O-N 2.82Å; T355-Y357 PolarHBondContact O-N 3.34Å; Y357-T359 WeakPolarHBondContact CB-OG1 3.46Å; Y357-T359 PolarHBondContact O-N 3.28Å; Y357-L360 PolarHBondContact O-N 3.06Å
358	S	97.1	Very high	98.2	Very high	129 Å²	129	44.9 Å²	44.9	90%	0.902	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-7.4	175.3	56.6	0	0	0	0	114.1
359	T	97.8	Very high	98.2	Very high	42 Å²	42	41.6 Å²	41.6	26%	0.258	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-17.4	176.5	47.5	0	0	0	0	112.6	S322 P326 V327 Y357	S322-T359 PolarHBondContact O-OG1 2.78Å; P326-T359 CarbonylContact C-O 3.58Å; P326-T359 WeakPolarHBondContact CA-O 3.49Å; P326-T359 HydrophobicContact CG-CG2 4.33Å; V327-T359 PolarHBondContact N-O 3.14Å; Y357-T359 WeakPolarHBondContact CB-OG1 3.46Å; Y357-T359 PolarHBondContact O-N 3.28Å
360	L	98.7	Very high	98.3	Very high	22 Å²	22	38.8 Å²	38.8	12%	0.115	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	129.3	173.4	-179.2	67	0	0	0	110.7	L318 V327 V329 A354 T355 Y357 L362	L318-L360 HydrophobicContact CD1-CD1 4.37Å; L318-L360 HydrophobicContact CD2-CD1 4.16Å; V327-L360 HydrophobicContact CB-CD1 4.37Å; V329-L360 HydrophobicContact CG2-CD1 3.71Å; A354-L360 HydrophobicContact CB-CD2 3.66Å; T355-L360 HydrophobicContact CG2-CD2 4.03Å; Y357-L360 PolarHBondContact O-N 3.06Å; L360-L362 HydrophobicContact CD1-CD2 4.38Å; L360-L362 HydrophobicContact CD2-CD2 4.44Å; L360-L362 HydrophobicContact CG-CD2 4.39Å
361	Q	98.6	Very high	98.3	Very high	56 Å²	56	37.3 Å²	37.3	26%	0.262	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	122.1	173.2	-157.7	-177.2	-88.2	0	0	111.6	Y67 N69 V327 D328 V329 V363	Y67-Q361 PolarHBondContact OH-NE2 3.23Å; N69-Q361 PolarHBondContact ND2-NE2 3.43Å; V327-Q361 PolarHBondContact O-N 3.31Å; D328-Q361 CarbonylContact C-O 3.48Å; D328-Q361 WeakPolarHBondContact CA-O 3.26Å; D328-Q361 WeakPolarHBondContact OD1-CB 3.46Å; V329-Q361 PolarHBondContact N-O 3.11Å; Q361-V363 HydrophobicContact CB-CG1 4.46Å; Q361-V363 HydrophobicContact CG-CG1 4.02Å
362	L	98.8	Very high	98.2	Very high	22 Å²	22	37.7 Å²	37.7	12%	0.115	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	121.6	172.4	-50.8	178.6	0	0	0	108.6	V329 P345 L346 P348 F351 L360	V329-L362 HydrophobicContact CB-CD2 3.83Å; V329-L362 HydrophobicContact CG1-CD2 4.33Å; V329-L362 HydrophobicContact CG2-CD2 4.15Å; P345-L362 HydrophobicContact CB-CB 4.07Å; L346-L362 HydrophobicContact CB-CD1 4.42Å; L346-L362 WeakPolarHBondContact O-CD1 3.46Å; P348-L362 HydrophobicContact CG-CD1 4.11Å; F351-L362 HydrophobicContact CD2-CD1 3.95Å; F351-L362 HydrophobicContact CD2-CD2 4.04Å; F351-L362 HydrophobicContact CE2-CD1 4.17Å; F351-L362 HydrophobicContact CE2-CD2 3.93Å; L360-L362 HydrophobicContact CD1-CD2 4.38Å; L360-L362 HydrophobicContact CD2-CD2 4.44Å; L360-L362 HydrophobicContact CG-CD2 4.39Å
363	V	98.8	Very high	98	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.202	C	C	.	.			trans	-121.2	172.4	-171.7	-61.3	0	0	0	0	112.5	D328 V329 M330 P331 P345 Q361 Y367	D328-V363 HydrophobicContact CB-CG1 4.42Å; D328-V363 HydrophobicContact CB-CG2 4.36Å; V329-V363 WeakPolarHBondContact O-CG2 3.28Å; V329-V363 PolarHBondContact O-N 2.81Å; M330-V363 HydrophobicContact CB-CG2 4.32Å; M330-V363 HydrophobicContact CG-CG2 3.51Å; P331-V363 WeakPolarHBondContact CD-O 3.33Å; P345-V363 VanDerWaalsContact CA-O 3.31Å; P345-V363 WeakPolarHBondContact CA-O 3.3Å; Q361-V363 HydrophobicContact CB-CG1 4.46Å; Q361-V363 HydrophobicContact CG-CG1 4.02Å; V363-Y367 HydrophobicContact CB-CD2 3.75Å; V363-Y367 HydrophobicContact CB-CE2 3.93Å; V363-Y367 HydrophobicContact CB-CG 4.32Å; V363-Y367 HydrophobicContact CG1-CD2 4.11Å; V363-Y367 HydrophobicContact CG1-CE2 3.73Å; V363-Y367 HydrophobicContact CG2-CD1 4.18Å; V363-Y367 HydrophobicContact CG2-CD2 3.82Å; V363-Y367 HydrophobicContact CG2-CE1 4.42Å; V363-Y367 HydrophobicContact CG2-CE2 4.14Å; V363-Y367 HydrophobicContact CG2-CG 3.87Å
364	T	98.8	Very high	98	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.183	C	C	.	.			trans	-79.7	166.2	-180	50.5	0	0	0	0	111.8	S71 F74 R75 Q343 P345 P366 Y367	S71-T364 WeakPolarHBondContact CB-OG1 3.34Å; S71-T364 PolarHBondContact OG-OG1 2.87Å; F74-T364 HydrophobicContact CB-CG2 4.3Å; R75-T364 HydrophobicContact CG-CG2 3.65Å; Q343-T364 WeakPolarHBondContact O-CA 3.46Å; P345-T364 HydrophobicContact CG-CG2 4.09Å; T364-P366 CarbonylContact C-O 3.58Å; T364-P366 VanDerWaalsContact C-O 3.31Å; T364-P366 WeakPolarHBondContact CB-O 3.46Å; T364-P366 CarbonylContact O-C 3.58Å; T364-P366 PolarHBondContact OG1-O 2.67Å; T364-Y367 WeakPolarHBondContact O-CB 3.42Å
365	N	98.6	Very high	98	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-122.5	116.9	158.8	174.5	28.5	0	0	0	108.5	M330 P331 P342 Q343 T379 S380 Q382	M330-N365 HydrophobicContact CE-CB 4.49Å; P331-N365 HydrophobicContact CG-CB 4.01Å; P331-N365 WeakPolarHBondContact O-CB 3.43Å; P331-N365 PolarHBondContact O-ND2 2.84Å; P342-N365 CarbonylContact C-O 3.54Å; P342-N365 VanDerWaalsContact CA-O 3.24Å; P342-N365 WeakPolarHBondContact CA-O 3.47Å; Q343-N365 HydrophobicContact CB-CB 4.14Å; Q343-N365 PolarHBondContact N-O 2.99Å; Q343-N365 PolarHBondContact O-N 3.24Å; Q343-N365 PolarHBondContact OE1-ND2 3.06Å; N365-T379 WeakPolarHBondContact OD1-CA 3.48Å; N365-S380 WeakPolarHBondContact ND2-CB 3.29Å; N365-S380 PolarHBondContact ND2-OG 3.25Å; N365-S380 PolarHBondContact OD1-N 3.22Å; N365-S380 VanDerWaalsContact OD1-N 3.12Å; N365-Q382 PolarHBondContact ND2-OE1 2.93Å
366	P	98.7	Very high	98	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.17	C	C	.	.	S	Bend	cis	-65.7	159.6	2.7	-22.2	35.7	0	0	0	114.7	F74 T364 T379 I409 F428	F74-P366 HydrophobicContact CD1-CB 4.38Å; F74-P366 HydrophobicContact CD1-CG 4.22Å; F74-P366 HydrophobicContact CD2-CB 4.17Å; F74-P366 VanDerWaalsContact CD2-O 3.32Å; F74-P366 WeakPolarHBondContact CD2-O 3.23Å; F74-P366 HydrophobicContact CE1-CB 4.15Å; F74-P366 HydrophobicContact CE1-CG 4.03Å; F74-P366 HydrophobicContact CE2-CB 3.94Å; F74-P366 HydrophobicContact CG-CB 4.4Å; F74-P366 HydrophobicContact CZ-CB 3.94Å; F74-P366 HydrophobicContact CZ-CG 4.28Å; T364-P366 CarbonylContact C-O 3.58Å; T364-P366 VanDerWaalsContact C-O 3.31Å; T364-P366 WeakPolarHBondContact CB-O 3.46Å; T364-P366 CarbonylContact O-C 3.58Å; T364-P366 PolarHBondContact OG1-O 2.67Å; P366-T379 HydrophobicContact CB-CG2 4.15Å; P366-T379 HydrophobicContact CG-CG2 4.17Å; P366-I409 HydrophobicContact CG-CG2 4.32Å; P366-F428 HydrophobicContact CG-CD1 4.4Å; P366-F428 HydrophobicContact CG-CE1 4.16Å
367	Y	98.9	Very high	98.1	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	137.4	177.9	178.5	-137.9	0	0	0	111.3	Y67 I277 D328 M330 V363 T364 A369 L377 G378	Y67-Y367 WeakPolarHBondContact CE2-OH 3.37Å; Y67-Y367 PolarHBondContact OH-OH 3.09Å; I277-Y367 HydrophobicContact CD1-CE1 4.1Å; I277-Y367 HydrophobicContact CG2-CD1 4.38Å; I277-Y367 HydrophobicContact CG2-CE1 4.47Å; D328-Y367 HydrophobicContact CB-CE1 4.07Å; D328-Y367 VanDerWaalsContact CG-OH 3.26Å; D328-Y367 PolarHBondContact OD2-OH 3.01Å; M330-Y367 HydrophobicContact CG-CD1 4.23Å; M330-Y367 HydrophobicContact CG-CG 4.28Å; M330-Y367 HydrophobicContact SD-CD1 3.9Å; M330-Y367 HydrophobicContact SD-CG 4.19Å; V363-Y367 HydrophobicContact CB-CD2 3.75Å; V363-Y367 HydrophobicContact CB-CE2 3.93Å; V363-Y367 HydrophobicContact CB-CG 4.32Å; V363-Y367 HydrophobicContact CG1-CD2 4.11Å; V363-Y367 HydrophobicContact CG1-CE2 3.73Å; V363-Y367 HydrophobicContact CG2-CD1 4.18Å; V363-Y367 HydrophobicContact CG2-CD2 3.82Å; V363-Y367 HydrophobicContact CG2-CE1 4.42Å; V363-Y367 HydrophobicContact CG2-CE2 4.14Å; V363-Y367 HydrophobicContact CG2-CG 3.87Å; T364-Y367 WeakPolarHBondContact O-CB 3.42Å; Y367-A369 HydrophobicContact CE1-CB 4.31Å; Y367-A369 HydrophobicContact CE2-CB 3.9Å; Y367-A369 VanDerWaalsContact OH-CB 3.26Å; Y367-A369 WeakPolarHBondContact OH-CB 3.23Å; Y367-L377 WeakPolarHBondContact O-CA 3.43Å; Y367-G378 PolarHBondContact N-O 3.44Å; Y367-G378 PolarHBondContact O-N 2.95Å
368	Q	98.6	Very high	98.1	Very high	56 Å²	56	20.2 Å²	20.2	26%	0.262	12%	0.119	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	131.4	175.9	-162.5	-176.7	-43	0	0	110.5	S70 S71 F74 F376 L377	S70-Q368 CarbonylContact C-O 3.6Å; S70-Q368 PolarHBondContact N-O 3.11Å; S70-Q368 WeakPolarHBondContact OG-CG 3.43Å; S70-Q368 PolarHBondContact OG-NE2 3.33Å; S70-Q368 PolarHBondContact OG-O 2.91Å; S71-Q368 PolarHBondContact N-O 3.18Å; F74-Q368 HydrophobicContact CE2-CB 4.37Å; Q368-F376 WeakPolarHBondContact CA-O 3.45Å; Q368-F376 WeakPolarHBondContact CG-O 3.39Å; Q368-L377 HydrophobicContact CB-CD1 3.78Å; Q368-L377 HydrophobicContact CG-CD1 3.85Å
369	A	98.5	Very high	98.2	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	160.1	175.1	0	0	0	0	0	112.2	Y67 T68 Y367 F376	Y67-A369 HydrophobicContact CE2-CB 3.84Å; T68-A369 CarbonylContact O-C 3.27Å; T68-A369 VanDerWaalsContact O-CA 3.25Å; T68-A369 WeakPolarHBondContact O-CA 3.29Å; Y367-A369 HydrophobicContact CE1-CB 4.31Å; Y367-A369 HydrophobicContact CE2-CB 3.9Å; Y367-A369 VanDerWaalsContact OH-CB 3.26Å; Y367-A369 WeakPolarHBondContact OH-CB 3.23Å; A369-F376 PolarHBondContact N-O 3.24Å; A369-F376 PolarHBondContact O-N 3.15Å
370	T	98.4	Very high	98.3	Very high	36 Å²	36	12.3 Å²	12.3	22%	0.221	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	120.1	167.2	-52.8	0	0	0	0	108.6	Y67 T68 V374 R375	Y67-T370 WeakPolarHBondContact CA-O 3.41Å; T68-T370 PolarHBondContact N-O 2.87Å; T68-T370 PolarHBondContact O-N 2.98Å; T370-V374 CarbonylContact C-O 3.59Å; T370-V374 WeakPolarHBondContact CA-O 3.39Å; T370-R375 HydrophobicContact CG2-CG 4.26Å
371	I	97.7	Very high	98.2	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	113.5	-178.3	-54.3	167.2	0	0	0	106.9	Y67 V231 I277 G373 V374 F376 L477	Y67-I371 HydrophobicContact CD2-CG1 4.17Å; Y67-I371 HydrophobicContact CE2-CG1 4.38Å; V231-I371 HydrophobicContact CG2-CD1 4.15Å; V231-I371 HydrophobicContact CG2-CG2 4.11Å; I277-I371 HydrophobicContact CD1-CD1 4.13Å; I371-G373 PolarHBondContact O-N 3.45Å; I371-V374 PolarHBondContact N-O 3.43Å; I371-V374 PolarHBondContact O-N 2.97Å; I371-F376 HydrophobicContact CB-CD2 4.41Å; I371-F376 HydrophobicContact CB-CE2 4.4Å; I371-F376 HydrophobicContact CD1-CD2 3.89Å; I371-F376 HydrophobicContact CD1-CE2 4.17Å; I371-F376 HydrophobicContact CD1-CG 4.17Å; I371-F376 HydrophobicContact CG1-CD2 4.31Å; I371-L477 HydrophobicContact CG2-CD1 3.98Å
372	D	94.9	Very high	98.2	Very high	8 Å²	8	9.6 Å²	9.6	4%	0.043	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.6	43.8	-177.4	-64.4	-35.4	0	0	0	112.8	V65 T66 L225 S274 V374 L477	V65-D372 PolarHBondContact N-OD1 2.83Å; T66-D372 PolarHBondContact N-OD1 3.05Å; T66-D372 PolarHBondContact O-N 3.22Å; T66-D372 WeakPolarHBondContact OG1-CA 3.29Å; L225-D372 HydrophobicContact CD1-CB 4.34Å; L225-D372 HydrophobicContact CD2-CB 4.34Å; S274-D372 PolarHBondContact OG-OD2 3.11Å; D372-V374 VanDerWaalsContact C-N 3.26Å; D372-V374 PolarHBondContact O-N 3.29Å; D372-L477 HydrophobicContact CB-CD1 4.05Å
373	G	95.3	Very high	98.2	Very high	18 Å²	18	8.6 Å²	8.6	19%	0.186	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.6	-10.1	-179.6	0	0	0	0	0	115.9	I371	I371-G373 PolarHBondContact O-N 3.45Å
374	V	97.8	Very high	98.2	Very high	1 Å²	1	8.6 Å²	8.6	1%	0.006	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	127.6	177.3	-175.7	0	0	0	0	109.8	A222 T370 I371 D372 F376 H435 V436 L477 L480	A222-V374 HydrophobicContact CB-CG2 4.42Å; T370-V374 CarbonylContact C-O 3.59Å; T370-V374 WeakPolarHBondContact CA-O 3.39Å; I371-V374 PolarHBondContact N-O 3.43Å; I371-V374 PolarHBondContact O-N 2.97Å; D372-V374 VanDerWaalsContact C-N 3.26Å; D372-V374 PolarHBondContact O-N 3.29Å; V374-F376 HydrophobicContact CB-CD2 4.44Å; V374-F376 HydrophobicContact CB-CE2 3.93Å; V374-F376 HydrophobicContact CG1-CD2 4.07Å; V374-F376 HydrophobicContact CG1-CE2 3.56Å; V374-F376 HydrophobicContact CG1-CZ 4.37Å; V374-H435 HydrophobicContact CG1-CB 3.66Å; V374-V436 HydrophobicContact CG1-CG2 3.9Å; V374-L477 HydrophobicContact CB-CD2 4.23Å; V374-L477 HydrophobicContact CG1-CD2 4.35Å; V374-L477 HydrophobicContact CG2-CB 4.07Å; V374-L477 HydrophobicContact CG2-CD2 4.29Å; V374-L480 HydrophobicContact CG1-CD2 4.01Å
375	R	98.4	Very high	98.2	Very high	26 Å²	26	10.3 Å²	10.3	10%	0.098	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	115.8	-177.2	-73.3	-175.7	-67.3	136.3	15.2	109.6	Q219 K220 T370 E432 C433 H435 V436	Q219-R375 VanDerWaalsContact CG-NH2 3.27Å; K220-R375 PolarHBondContact O-NH2 3.23Å; T370-R375 HydrophobicContact CG2-CG 4.26Å; R375-E432 IonicContact CZ-OE2 3.88Å; R375-E432 IonicContact NH1-OE2 3.53Å; R375-E432 PolarHBondContact NH1-OE2 3.25Å; R375-C433 PolarHBondContact NH1-O 2.9Å; R375-C433 VanDerWaalsContact NH1-O 3.16Å; R375-C433 PolarHBondContact NH2-O 3.46Å; R375-H435 PolarHBondContact N-ND1 3.32Å; R375-H435 PolarHBondContact O-N 3.43Å; R375-V436 PolarHBondContact O-N 3.46Å
376	F	98.8	Very high	98.2	Very high	1 Å²	1	11 Å²	11	0%	0.004	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	138.1	175	-76.8	-109.1	0	0	0	109.6	V231 Q368 A369 I371 V374 V436 F438 V475 L477	V231-F376 HydrophobicContact CB-CE1 4.46Å; V231-F376 HydrophobicContact CB-CZ 4.25Å; V231-F376 HydrophobicContact CG1-CE1 4.28Å; V231-F376 HydrophobicContact CG1-CZ 4.49Å; V231-F376 HydrophobicContact CG2-CZ 4.13Å; Q368-F376 WeakPolarHBondContact CA-O 3.45Å; Q368-F376 WeakPolarHBondContact CG-O 3.39Å; A369-F376 PolarHBondContact N-O 3.24Å; A369-F376 PolarHBondContact O-N 3.15Å; I371-F376 HydrophobicContact CB-CD2 4.41Å; I371-F376 HydrophobicContact CB-CE2 4.4Å; I371-F376 HydrophobicContact CD1-CD2 3.89Å; I371-F376 HydrophobicContact CD1-CE2 4.17Å; I371-F376 HydrophobicContact CD1-CG 4.17Å; I371-F376 HydrophobicContact CG1-CD2 4.31Å; V374-F376 HydrophobicContact CB-CD2 4.44Å; V374-F376 HydrophobicContact CB-CE2 3.93Å; V374-F376 HydrophobicContact CG1-CD2 4.07Å; V374-F376 HydrophobicContact CG1-CE2 3.56Å; V374-F376 HydrophobicContact CG1-CZ 4.37Å; F376-V436 WeakPolarHBondContact CA-O 3.46Å; F376-V436 HydrophobicContact CD1-CB 3.74Å; F376-V436 HydrophobicContact CD1-CG1 3.84Å; F376-V436 HydrophobicContact CD1-CG2 4.34Å; F376-V436 HydrophobicContact CD2-CB 4.44Å; F376-V436 HydrophobicContact CE1-CB 3.71Å; F376-V436 HydrophobicContact CE1-CG1 3.63Å; F376-V436 HydrophobicContact CE1-CG2 3.88Å; F376-V436 HydrophobicContact CE2-CB 4.4Å; F376-V436 HydrophobicContact CE2-CG2 4.05Å; F376-V436 HydrophobicContact CG-CB 4.12Å; F376-V436 HydrophobicContact CZ-CB 4.04Å; F376-V436 HydrophobicContact CZ-CG1 4.32Å; F376-V436 HydrophobicContact CZ-CG2 3.7Å; F376-F438 HydrophobicContact CD1-CD1 4.31Å; F376-F438 HydrophobicContact CD1-CE1 4.35Å; F376-V475 HydrophobicContact CZ-CG1 4.33Å; F376-L477 HydrophobicContact CE2-CD2 3.55Å; F376-L477 HydrophobicContact CZ-CD2 3.47Å; F376-L477 VanDerWaalsContact CZ-CD2 3.47Å
377	L	98.9	Very high	98.2	Very high	7 Å²	7	11 Å²	11	4%	0.037	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	139.2	162.8	-177.7	80.7	0	0	0	107.4	F74 Y367 Q368 I409 F430 P434 V436 Y437 F438	F74-L377 HydrophobicContact CE2-CD1 4.21Å; F74-L377 HydrophobicContact CZ-CD1 4.41Å; Y367-L377 WeakPolarHBondContact O-CA 3.43Å; Q368-L377 HydrophobicContact CB-CD1 3.78Å; Q368-L377 HydrophobicContact CG-CD1 3.85Å; L377-I409 HydrophobicContact CD1-CD1 4.37Å; L377-I409 HydrophobicContact CD2-CD1 3.94Å; L377-I409 HydrophobicContact CD2-CG1 4.2Å; L377-F430 HydrophobicContact CD2-CD1 3.81Å; L377-F430 HydrophobicContact CD2-CE1 3.21Å; L377-F430 HydrophobicContact CD2-CZ 4.03Å; L377-P434 HydrophobicContact CB-CB 3.86Å; L377-P434 HydrophobicContact CB-CG 4.2Å; L377-V436 PolarHBondContact N-O 3.29Å; L377-Y437 HydrophobicContact CB-CD2 4.15Å; L377-Y437 HydrophobicContact CD2-CD2 3.86Å; L377-Y437 HydrophobicContact CD2-CE2 3.76Å; L377-Y437 HydrophobicContact CG-CD2 4.16Å; L377-Y437 HydrophobicContact CG-CE2 4.21Å; L377-Y437 VanDerWaalsContact O-CA 3.3Å; L377-Y437 WeakPolarHBondContact O-CA 3.38Å; L377-Y437 WeakPolarHBondContact O-CD2 3.34Å; L377-F438 WeakPolarHBondContact O-CD1 3.42Å; L377-F438 PolarHBondContact O-N 3.46Å
378	G	98.8	Very high	98.2	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.5	170.3	170.5	0	0	0	0	0	113.9	Y367 F438	Y367-G378 PolarHBondContact N-O 3.44Å; Y367-G378 PolarHBondContact O-N 2.95Å; G378-F438 WeakPolarHBondContact CA-O 3.48Å
379	T	98.9	Very high	98.1	Very high	3 Å²	3	14.6 Å²	14.6	2%	0.018	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	163.4	179.4	68.4	0	0	0	0	110.1	N365 P366 G381 N383 I409 F438 G440	N365-T379 WeakPolarHBondContact OD1-CA 3.48Å; P366-T379 HydrophobicContact CB-CG2 4.15Å; P366-T379 HydrophobicContact CG-CG2 4.17Å; T379-G381 PolarHBondContact O-N 2.98Å; T379-G381 PolarHBondContact OG1-N 3.05Å; T379-N383 WeakPolarHBondContact CB-OD1 3.39Å; T379-N383 PolarHBondContact OG1-OD1 2.84Å; T379-I409 HydrophobicContact CG2-CG2 3.7Å; T379-F438 PolarHBondContact N-O 2.92Å; T379-G440 PolarHBondContact O-N 3.42Å
380	S	98.8	Very high	98.1	Very high	2 Å²	2	15.5 Å²	15.5	1%	0.014	8%	0.079	C	C	.	.			trans	-79.6	14.8	170.3	-48.9	0	0	0	0	112.9	P331 N365 N441	P331-S380 WeakPolarHBondContact O-CB 3.33Å; P331-S380 PolarHBondContact O-OG 2.89Å; N365-S380 WeakPolarHBondContact ND2-CB 3.29Å; N365-S380 PolarHBondContact ND2-OG 3.25Å; N365-S380 PolarHBondContact OD1-N 3.22Å; N365-S380 VanDerWaalsContact OD1-N 3.12Å; S380-N441 PolarHBondContact O-ND2 3.36Å
381	G	98.4	Very high	98.1	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.01	7%	0.069	C	C	.	.	S	Bend	trans	95.3	-10.7	168	0	0	0	0	0	117.9	T379 N383 V384 S385 C439 G440	T379-G381 PolarHBondContact O-N 2.98Å; T379-G381 PolarHBondContact OG1-N 3.05Å; G381-N383 VanDerWaalsContact C-N 3.26Å; G381-N383 PolarHBondContact O-N 2.77Å; G381-V384 PolarHBondContact O-N 2.97Å; G381-S385 PolarHBondContact O-N 3.4Å; G381-S385 PolarHBondContact O-OG 3.41Å; G381-C439 WeakPolarHBondContact CA-SG 3.45Å; G381-G440 VanDerWaalsContact CA-O 3.29Å; G381-G440 WeakPolarHBondContact CA-O 3.36Å
382	Q	98.5	Very high	98.1	Very high	21 Å²	21	15.7 Å²	15.7	10%	0.098	8%	0.082	C	C	.	.	H	α-helix	trans	-60.8	-34.2	-175.7	-59.2	100	-29.7	0	0	113.5	G332 E333 N365 D386 L417	G332-Q382 VanDerWaalsContact C-NE2 3.33Å; E333-Q382 HydrophobicContact CB-CG 4.25Å; E333-Q382 VanDerWaalsContact N-NE2 3.13Å; N365-Q382 PolarHBondContact ND2-OE1 2.93Å; Q382-D386 VanDerWaalsContact O-CB 3.24Å; Q382-D386 WeakPolarHBondContact O-CB 3.3Å; Q382-D386 PolarHBondContact O-N 3.42Å; Q382-L417 HydrophobicContact CB-CD1 4.19Å; Q382-L417 HydrophobicContact CB-CD2 4.21Å
383	N	98.6	Very high	98.3	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.005	8%	0.081	C	C	.	.	H	α-helix	trans	-63.6	-46.7	177.4	59.8	-37.6	0	0	0	112.6	T379 G381 D386 I387 I409 L417	T379-N383 WeakPolarHBondContact CB-OD1 3.39Å; T379-N383 PolarHBondContact OG1-OD1 2.84Å; G381-N383 VanDerWaalsContact C-N 3.26Å; G381-N383 PolarHBondContact O-N 2.77Å; N383-D386 PolarHBondContact O-N 3.19Å; N383-I387 WeakPolarHBondContact O-CD1 3.32Å; N383-I387 VanDerWaalsContact O-CG1 3.31Å; N383-I387 WeakPolarHBondContact O-CG1 3.17Å; N383-I387 PolarHBondContact O-N 3.33Å; N383-I387 VanDerWaalsContact O-N 3.1Å; N383-I409 PolarHBondContact ND2-O 2.94Å; N383-L417 HydrophobicContact CB-CD2 4.39Å
384	V	98.8	Very high	98.4	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-68.1	-45.1	179.1	170.9	0	0	0	0	110.4	G381 D386 I387 F388 H396 I399 L400 C439	G381-V384 PolarHBondContact O-N 2.97Å; V384-D386 VanDerWaalsContact C-N 3.28Å; V384-D386 PolarHBondContact O-N 3.06Å; V384-I387 PolarHBondContact O-N 2.68Å; V384-F388 WeakPolarHBondContact O-CB 3.1Å; V384-F388 PolarHBondContact O-N 2.77Å; V384-H396 HydrophobicContact CG1-CB 3.99Å; V384-I399 HydrophobicContact CB-CG2 4.22Å; V384-I399 HydrophobicContact CG1-CB 3.97Å; V384-I399 HydrophobicContact CG1-CD1 4.48Å; V384-I399 HydrophobicContact CG1-CG2 3.77Å; V384-I399 HydrophobicContact CG2-CG2 4.27Å; V384-L400 HydrophobicContact CG2-CB 4.45Å; V384-L400 HydrophobicContact CG2-CD1 4.08Å; V384-C439 HydrophobicContact CG2-CB 4.2Å; V384-C439 VanDerWaalsContact CG2-SG 3.55Å
385	S	98.1	Very high	98.4	Very high	36 Å²	36	23.9 Å²	23.9	25%	0.252	12%	0.118	S	C	.	.	H	α-helix	trans	-61.2	-35.2	176.7	-62.7	0	0	0	0	112.7	G381 R389	G381-S385 PolarHBondContact O-N 3.4Å; G381-S385 PolarHBondContact O-OG 3.41Å; S385-R389 WeakPolarHBondContact O-CG 3.46Å; S385-R389 PolarHBondContact O-N 3.21Å
386	D	98.3	Very high	98.4	Very high	13 Å²	13	24 Å²	24	7%	0.07	12%	0.119	C	C	.	.	H	α-helix	trans	-70.3	-45.8	175.8	-169.4	65.9	0	0	0	111.5	Q382 N383 V384 F388 R389 Y390 T412 T416 L417	Q382-D386 VanDerWaalsContact O-CB 3.24Å; Q382-D386 WeakPolarHBondContact O-CB 3.3Å; Q382-D386 PolarHBondContact O-N 3.42Å; N383-D386 PolarHBondContact O-N 3.19Å; V384-D386 VanDerWaalsContact C-N 3.28Å; V384-D386 PolarHBondContact O-N 3.06Å; D386-F388 VanDerWaalsContact C-N 3.28Å; D386-F388 PolarHBondContact O-N 3.44Å; D386-R389 WeakPolarHBondContact O-CB 3.23Å; D386-R389 PolarHBondContact O-N 2.83Å; D386-R389 VanDerWaalsContact O-N 3.07Å; D386-Y390 VanDerWaalsContact O-CD2 3.26Å; D386-Y390 WeakPolarHBondContact O-CD2 3.49Å; D386-Y390 PolarHBondContact O-N 2.94Å; D386-Y390 WeakPolarHBondContact OD1-CE2 3.36Å; D386-T412 WeakPolarHBondContact OD2-CB 3.46Å; D386-T412 PolarHBondContact OD2-OG1 3.16Å; D386-T416 PolarHBondContact OD2-OG1 2.84Å; D386-L417 HydrophobicContact CB-CB 4.25Å; D386-L417 HydrophobicContact CB-CD2 4.4Å
387	I	98.7	Very high	98.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-60.3	-39.6	175.4	-65.2	158.5	0	0	0	111.3	V189 N383 V384 R389 Y390 S391 M393 I399 W402 T403 P411 T412	V189-I387 HydrophobicContact CG1-CG2 4.26Å; N383-I387 WeakPolarHBondContact O-CD1 3.32Å; N383-I387 VanDerWaalsContact O-CG1 3.31Å; N383-I387 WeakPolarHBondContact O-CG1 3.17Å; N383-I387 PolarHBondContact O-N 3.33Å; N383-I387 VanDerWaalsContact O-N 3.1Å; V384-I387 PolarHBondContact O-N 2.68Å; I387-R389 VanDerWaalsContact C-N 3.26Å; I387-R389 PolarHBondContact O-N 2.8Å; I387-Y390 PolarHBondContact O-N 3.28Å; I387-Y390 VanDerWaalsContact O-N 3.16Å; I387-S391 VanDerWaalsContact O-CB 3.3Å; I387-S391 WeakPolarHBondContact O-CB 3.28Å; I387-S391 PolarHBondContact O-N 3.27Å; I387-S391 PolarHBondContact O-OG 2.76Å; I387-M393 HydrophobicContact CG2-CE 3.62Å; I387-I399 HydrophobicContact CB-CG2 3.75Å; I387-I399 HydrophobicContact CD1-CG2 3.99Å; I387-I399 HydrophobicContact CG2-CG2 3.62Å; I387-W402 HydrophobicContact CD1-CE3 4.14Å; I387-W402 HydrophobicContact CD1-CZ3 3.83Å; I387-W402 HydrophobicContact CG1-CZ3 4.22Å; I387-W402 HydrophobicContact CG2-CE3 4.15Å; I387-W402 HydrophobicContact CG2-CZ3 4.04Å; I387-T403 HydrophobicContact CD1-CG2 3.29Å; I387-P411 HydrophobicContact CD1-CG 4.37Å; I387-T412 HydrophobicContact CG1-CG2 3.96Å
388	F	98.5	Very high	98.4	Very high	41 Å²	41	27.4 Å²	27.4	18%	0.18	14%	0.135	C	C	.	.	H	α-helix	trans	-56	-40.5	175.2	175.9	-87.9	0	0	0	111.9	K160 V384 D386 Y390 M393 E394 H396 I399	K160-F388 VanDerWaalsContact CE-CZ 3.4Å; K160-F388 VanDerWaalsContact CE-O 3.23Å; K160-F388 WeakPolarHBondContact CE-O 3.37Å; K160-F388 HydrophobicContact CG-CE1 4.18Å; V384-F388 WeakPolarHBondContact O-CB 3.1Å; V384-F388 PolarHBondContact O-N 2.77Å; D386-F388 VanDerWaalsContact C-N 3.28Å; D386-F388 PolarHBondContact O-N 3.44Å; F388-Y390 VanDerWaalsContact C-N 3.3Å; F388-Y390 PolarHBondContact O-N 2.85Å; F388-M393 WeakPolarHBondContact CD2-O 3.34Å; F388-E394 VanDerWaalsContact CE2-OE2 3.23Å; F388-E394 WeakPolarHBondContact CE2-OE2 3.48Å; F388-E394 WeakPolarHBondContact CZ-OE2 3.46Å; F388-H396 AromaticContact CD2-CE1 3.75Å; F388-H396 AromaticContact CE2-CE1 3.98Å; F388-I399 HydrophobicContact CB-CD1 3.7Å; F388-I399 HydrophobicContact CD2-CD1 4.03Å; F388-I399 HydrophobicContact CG-CD1 4.38Å
389	R	97.8	Very high	98.4	Very high	92 Å²	92	27.4 Å²	27.4	35%	0.347	14%	0.135	S	C	.	.	H	α-helix	trans	-67	-29.2	180	-68.6	168	-170	-91.6	5.8	113	K160 Y161 S385 D386 I387	K160-R389 CarbonylContact C-O 3.55Å; K160-R389 VanDerWaalsContact CA-O 3.29Å; K160-R389 WeakPolarHBondContact CA-O 3.46Å; Y161-R389 HydrophobicContact CD2-CB 4.12Å; Y161-R389 HydrophobicContact CE2-CB 4.48Å; Y161-R389 PolarHBondContact N-O 2.85Å; S385-R389 WeakPolarHBondContact O-CG 3.46Å; S385-R389 PolarHBondContact O-N 3.21Å; D386-R389 WeakPolarHBondContact O-CB 3.23Å; D386-R389 PolarHBondContact O-N 2.83Å; D386-R389 VanDerWaalsContact O-N 3.07Å; I387-R389 VanDerWaalsContact C-N 3.26Å; I387-R389 PolarHBondContact O-N 2.8Å
390	Y	97.9	Very high	98.4	Very high	19 Å²	19	27.3 Å²	27.3	8%	0.075	14%	0.135	C	C	.	.	H	α-helix	trans	-112.1	7	-174	-62.4	-75.9	0	0	0	114.5	K134 M136 Q139 Y161 I162 D386 I387 F388 T416	K134-Y390 PolarHBondContact NZ-O 2.94Å; M136-Y390 HydrophobicContact CE-CD1 3.51Å; M136-Y390 HydrophobicContact CE-CE1 3.95Å; M136-Y390 HydrophobicContact CE-CG 4.31Å; M136-Y390 HydrophobicContact SD-CD1 3.64Å; M136-Y390 HydrophobicContact SD-CE1 4.49Å; M136-Y390 HydrophobicContact SD-CG 4.41Å; Q139-Y390 HydrophobicContact CG-CE1 4.29Å; Y161-Y390 HydrophobicContact CD2-CD1 4.33Å; Y161-Y390 AromaticContact CD2-CE1 3.7Å; Y161-Y390 HydrophobicContact CD2-CE1 3.7Å; Y161-Y390 HydrophobicContact CD2-CE2 4.44Å; Y161-Y390 AromaticContact CD2-CZ 3.76Å; Y161-Y390 HydrophobicContact CG-CD1 4.43Å; Y161-Y390 AromaticContact CG-CE1 3.84Å; Y161-Y390 HydrophobicContact CG-CE1 3.84Å; I162-Y390 VanDerWaalsContact CG2-C 3.42Å; I162-Y390 WeakPolarHBondContact CG2-O 3.09Å; D386-Y390 VanDerWaalsContact O-CD2 3.26Å; D386-Y390 WeakPolarHBondContact O-CD2 3.49Å; D386-Y390 PolarHBondContact O-N 2.94Å; D386-Y390 WeakPolarHBondContact OD1-CE2 3.36Å; I387-Y390 PolarHBondContact O-N 3.28Å; I387-Y390 VanDerWaalsContact O-N 3.16Å; F388-Y390 VanDerWaalsContact C-N 3.3Å; F388-Y390 PolarHBondContact O-N 2.85Å; Y390-T416 HydrophobicContact CD1-CG2 4.41Å; Y390-T416 HydrophobicContact CD2-CG2 3.95Å; Y390-T416 HydrophobicContact CE1-CG2 3.9Å; Y390-T416 HydrophobicContact CE2-CG2 3.43Å; Y390-T416 VanDerWaalsContact CE2-CG2 3.43Å; Y390-T416 HydrophobicContact CG-CG2 4.42Å
391	S	98.2	Very high	98.4	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.142	C	C	.	.	S	Bend	trans	-129	163.4	176.8	70.4	0	0	0	0	112.9	K160 S186 K187 I387 M393	K160-S391 PolarHBondContact NZ-O 3.03Å; S186-S391 CarbonylContact O-C 3.59Å; S186-S391 VanDerWaalsContact O-CA 3.23Å; S186-S391 WeakPolarHBondContact O-CA 3.35Å; K187-S391 WeakPolarHBondContact O-CB 3.44Å; I387-S391 VanDerWaalsContact O-CB 3.3Å; I387-S391 WeakPolarHBondContact O-CB 3.28Å; I387-S391 PolarHBondContact O-N 3.27Å; I387-S391 PolarHBondContact O-OG 2.76Å; S391-M393 VanDerWaalsContact C-N 3.25Å; S391-M393 WeakPolarHBondContact OG-CE 3.48Å; S391-M393 PolarHBondContact OG-N 3.17Å
392	S	98	Very high	98.4	Very high	40 Å²	40	29.7 Å²	29.7	28%	0.28	15%	0.145	S	C	.	.	S	Bend	trans	-78.1	-6.2	171.6	53.8	0	0	0	0	113.7	S186 K187	S186-S392 VanDerWaalsContact C-OG 3.22Å; S186-S392 PolarHBondContact O-N 3.25Å; S186-S392 PolarHBondContact O-OG 2.83Å; S186-S392 WeakPolarHBondContact OG-CB 3.4Å; S186-S392 PolarHBondContact OG-OG 3.47Å; K187-S392 PolarHBondContact N-OG 3.02Å
393	M	98.3	Very high	98.4	Very high	5 Å²	5	28.7 Å²	28.7	3%	0.025	14%	0.14	C	C	.	.			trans	-67.8	133.5	178.6	-64.9	177.4	-74.7	0	0	110.4	K160 K187 I387 F388 S391 E398 I399 W402	K160-M393 PolarHBondContact NZ-O 2.99Å; K187-M393 HydrophobicContact CG-CE 4.43Å; K187-M393 HydrophobicContact CG-CG 4.04Å; K187-M393 HydrophobicContact CG-SD 4.09Å; I387-M393 HydrophobicContact CG2-CE 3.62Å; F388-M393 WeakPolarHBondContact CD2-O 3.34Å; S391-M393 VanDerWaalsContact C-N 3.25Å; S391-M393 WeakPolarHBondContact OG-CE 3.48Å; S391-M393 PolarHBondContact OG-N 3.17Å; M393-E398 HydrophobicContact SD-CG 4.48Å; M393-I399 HydrophobicContact CB-CD1 3.93Å; M393-I399 HydrophobicContact CB-CG1 3.52Å; M393-I399 HydrophobicContact CE-CG1 4.13Å; M393-I399 HydrophobicContact CG-CG1 4.37Å; M393-I399 HydrophobicContact SD-CG1 4.06Å; M393-W402 HydrophobicContact CE-CD2 3.97Å; M393-W402 HydrophobicContact CE-CE3 4.12Å; M393-W402 HydrophobicContact CE-CG 4.16Å; M393-W402 HydrophobicContact SD-CB 4.13Å; M393-W402 HydrophobicContact SD-CD2 4.49Å; M393-W402 HydrophobicContact SD-CG 4.06Å
394	E	97.8	Very high	98.4	Very high	116 Å²	116	28.8 Å²	28.8	54%	0.542	14%	0.14	S	C	.	.			trans	-106.5	-41.1	-179.2	-60.6	-58	154.8	0	0	112.2	K160 F388 H396	K160-E394 WeakPolarHBondContact CE-OE1 3.47Å; K160-E394 IonicContact NZ-OE1 3.85Å; K160-E394 PolarHBondContact NZ-OE1 3.15Å; K160-E394 IonicContact NZ-OE2 3.27Å; K160-E394 PolarHBondContact NZ-OE2 3.39Å; F388-E394 VanDerWaalsContact CE2-OE2 3.23Å; F388-E394 WeakPolarHBondContact CE2-OE2 3.48Å; F388-E394 WeakPolarHBondContact CZ-OE2 3.46Å; E394-H396 PolarHBondContact O-N 2.87Å; E394-H396 PolarHBondContact O-ND1 3.22Å
395	D	98.3	Very high	98.4	Very high	78 Å²	78	31.5 Å²	31.5	42%	0.417	15%	0.151	S	C	.	.			trans	-74.4	120.1	179.8	177.3	28.7	0	0	0	110.8	L397 E398 I399	D395-L397 PolarHBondContact O-N 3.46Å; D395-L397 PolarHBondContact OD1-N 3.39Å; D395-L397 VanDerWaalsContact OD1-N 3.09Å; D395-L397 WeakPolarHBondContact OD2-CB 3.07Å; D395-E398 HydrophobicContact CB-CB 3.95Å; D395-E398 WeakPolarHBondContact O-CB 3.48Å; D395-E398 PolarHBondContact O-N 3.32Å; D395-E398 PolarHBondContact OD2-N 2.83Å; D395-I399 WeakPolarHBondContact O-CG1 3.3Å; D395-I399 PolarHBondContact O-N 3.45Å
396	H	98.6	Very high	98.4	Very high	27 Å²	27	29.9 Å²	29.9	13%	0.125	14%	0.139	C	C	.	.	H	α-helix	trans	-66.8	-27.1	179.9	-70.4	54.1	0	0	0	111.4	V384 F388 E394 I399 L400 T442 T462	V384-H396 HydrophobicContact CG1-CB 3.99Å; F388-H396 AromaticContact CD2-CE1 3.75Å; F388-H396 AromaticContact CE2-CE1 3.98Å; E394-H396 PolarHBondContact O-N 2.87Å; E394-H396 PolarHBondContact O-ND1 3.22Å; H396-I399 PolarHBondContact O-N 3.04Å; H396-L400 WeakPolarHBondContact O-CB 3.42Å; H396-L400 PolarHBondContact O-N 2.9Å; H396-T442 HydrophobicContact CB-CG2 4.12Å; H396-T462 HydrophobicContact CB-CG2 4.23Å
397	L	98.8	Very high	98.5	Very high	15 Å²	15	30.1 Å²	30.1	8%	0.079	14%	0.139	C	C	.	.	H	α-helix	trans	-72.7	-36.1	175.4	-174.6	65.4	0	0	0	111.3	D395 L400 E401 K448 L460 T462	D395-L397 PolarHBondContact O-N 3.46Å; D395-L397 PolarHBondContact OD1-N 3.39Å; D395-L397 VanDerWaalsContact OD1-N 3.09Å; D395-L397 WeakPolarHBondContact OD2-CB 3.07Å; L397-L400 PolarHBondContact O-N 3.28Å; L397-E401 PolarHBondContact O-N 3.3Å; L397-K448 HydrophobicContact CD2-CB 3.85Å; L397-K448 HydrophobicContact CG-CB 4.43Å; L397-L460 HydrophobicContact CD1-CB 3.67Å; L397-T462 HydrophobicContact CB-CG2 4.03Å; L397-T462 HydrophobicContact CD1-CG2 4.06Å
398	E	98.7	Very high	98.5	Very high	66 Å²	66	30.3 Å²	30.3	31%	0.308	14%	0.14	S	C	.	.	H	α-helix	trans	-61.8	-46.8	168.7	-174.8	-174.2	-176	0	0	111.3	K187 M393 D395 L400 E401 W402	K187-E398 IonicContact NZ-OE1 3.74Å; K187-E398 PolarHBondContact NZ-OE1 3.47Å; M393-E398 HydrophobicContact SD-CG 4.48Å; D395-E398 HydrophobicContact CB-CB 3.95Å; D395-E398 WeakPolarHBondContact O-CB 3.48Å; D395-E398 PolarHBondContact O-N 3.32Å; D395-E398 PolarHBondContact OD2-N 2.83Å; E398-L400 VanDerWaalsContact C-N 3.3Å; E398-L400 PolarHBondContact O-N 3.14Å; E398-E401 PolarHBondContact O-N 2.91Å; E398-W402 WeakPolarHBondContact O-CB 3.41Å; E398-W402 PolarHBondContact O-N 2.91Å
399	I	98.9	Very high	98.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-61.8	-40.7	178.3	-63.5	171.4	0	0	0	110.8	V384 I387 F388 M393 D395 H396 W402 T403	V384-I399 HydrophobicContact CB-CG2 4.22Å; V384-I399 HydrophobicContact CG1-CB 3.97Å; V384-I399 HydrophobicContact CG1-CD1 4.48Å; V384-I399 HydrophobicContact CG1-CG2 3.77Å; V384-I399 HydrophobicContact CG2-CG2 4.27Å; I387-I399 HydrophobicContact CB-CG2 3.75Å; I387-I399 HydrophobicContact CD1-CG2 3.99Å; I387-I399 HydrophobicContact CG2-CG2 3.62Å; F388-I399 HydrophobicContact CB-CD1 3.7Å; F388-I399 HydrophobicContact CD2-CD1 4.03Å; F388-I399 HydrophobicContact CG-CD1 4.38Å; M393-I399 HydrophobicContact CB-CD1 3.93Å; M393-I399 HydrophobicContact CB-CG1 3.52Å; M393-I399 HydrophobicContact CE-CG1 4.13Å; M393-I399 HydrophobicContact CG-CG1 4.37Å; M393-I399 HydrophobicContact SD-CG1 4.06Å; D395-I399 WeakPolarHBondContact O-CG1 3.3Å; D395-I399 PolarHBondContact O-N 3.45Å; H396-I399 PolarHBondContact O-N 3.04Å; I399-W402 WeakPolarHBondContact O-CB 3.45Å; I399-W402 PolarHBondContact O-N 3.26Å; I399-W402 VanDerWaalsContact O-N 3.16Å; I399-T403 WeakPolarHBondContact O-CG2 3.27Å; I399-T403 PolarHBondContact O-N 3.3Å
400	L	98.9	Very high	98.5	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-64.9	-39.4	176.6	-173	63.4	0	0	0	112.4	V384 H396 L397 E398 W402 T403 L404 Y437 C439 L460 T462	V384-L400 HydrophobicContact CG2-CB 4.45Å; V384-L400 HydrophobicContact CG2-CD1 4.08Å; H396-L400 WeakPolarHBondContact O-CB 3.42Å; H396-L400 PolarHBondContact O-N 2.9Å; L397-L400 PolarHBondContact O-N 3.28Å; E398-L400 VanDerWaalsContact C-N 3.3Å; E398-L400 PolarHBondContact O-N 3.14Å; L400-W402 VanDerWaalsContact C-N 3.33Å; L400-T403 PolarHBondContact O-OG1 3.17Å; L400-L404 PolarHBondContact O-N 3.12Å; L400-Y437 HydrophobicContact CD1-CD1 3.63Å; L400-Y437 HydrophobicContact CD1-CE1 3.2Å; L400-Y437 HydrophobicContact CD1-CE2 4.31Å; L400-Y437 HydrophobicContact CD1-CG 4.36Å; L400-Y437 HydrophobicContact CG-CD1 3.84Å; L400-Y437 HydrophobicContact CG-CE1 3.84Å; L400-Y437 WeakPolarHBondContact O-CE1 3.33Å; L400-C439 HydrophobicContact CD1-CB 3.85Å; L400-C439 HydrophobicContact CD2-CB 3.94Å; L400-C439 HydrophobicContact CG-CB 4.44Å; L400-L460 HydrophobicContact CD2-CB 4.38Å; L400-T462 HydrophobicContact CD2-CG2 4.13Å
401	E	98.8	Very high	98.5	Very high	37 Å²	37	23.3 Å²	23.3	17%	0.173	11%	0.112	C	C	.	.	H	α-helix	trans	-63.2	-44	169.9	179	169.3	-173.8	0	0	110.7	L397 E398 T403 L404 R405 K448 I450 L460	L397-E401 PolarHBondContact O-N 3.3Å; E398-E401 PolarHBondContact O-N 2.91Å; E401-T403 PolarHBondContact O-N 2.73Å; E401-L404 WeakPolarHBondContact O-CA 3.29Å; E401-L404 WeakPolarHBondContact O-CB 3.48Å; E401-L404 PolarHBondContact O-N 2.92Å; E401-L404 VanDerWaalsContact O-N 3.07Å; E401-R405 HydrophobicContact CG-CG 4Å; E401-R405 WeakPolarHBondContact O-CG 3.18Å; E401-R405 PolarHBondContact O-N 3.37Å; E401-R405 IonicContact OE1-CZ 3.76Å; E401-R405 IonicContact OE1-NE 2.76Å; E401-R405 PolarHBondContact OE1-NE 3.34Å; E401-R405 IonicContact OE1-NH2 3.27Å; E401-R405 PolarHBondContact OE1-NH2 3.04Å; E401-R405 VanDerWaalsContact OE1-NH2 3.15Å; E401-K448 WeakPolarHBondContact OE2-CE 3.32Å; E401-K448 IonicContact OE2-NZ 2.98Å; E401-K448 PolarHBondContact OE2-NZ 3.33Å; E401-I450 HydrophobicContact CG-CD1 4.09Å; E401-I450 HydrophobicContact CG-CG2 4.43Å; E401-L460 HydrophobicContact CB-CD1 3.57Å; E401-L460 HydrophobicContact CG-CD1 4.18Å
402	W	98.8	Very high	98.5	Very high	17 Å²	17	23.3 Å²	23.3	6%	0.064	11%	0.113	C	C	.	.	H	α-helix	trans	-60.4	-42.9	-177	-179.7	81.9	0	0	0	112.1	L188 V189 T192 I387 M393 E398 I399 L400 L404 R405 V406 P411	L188-W402 HydrophobicContact CD2-CZ2 4.36Å; V189-W402 HydrophobicContact CG2-CH2 3.4Å; V189-W402 VanDerWaalsContact CG2-CH2 3.4Å; V189-W402 HydrophobicContact CG2-CZ2 4.34Å; V189-W402 HydrophobicContact CG2-CZ3 3.87Å; T192-W402 HydrophobicContact CG2-CH2 4.48Å; T192-W402 HydrophobicContact CG2-CZ2 4.16Å; T192-W402 WeakPolarHBondContact OG1-CH2 3.33Å; I387-W402 HydrophobicContact CD1-CE3 4.14Å; I387-W402 HydrophobicContact CD1-CZ3 3.83Å; I387-W402 HydrophobicContact CG1-CZ3 4.22Å; I387-W402 HydrophobicContact CG2-CE3 4.15Å; I387-W402 HydrophobicContact CG2-CZ3 4.04Å; M393-W402 HydrophobicContact CE-CD2 3.97Å; M393-W402 HydrophobicContact CE-CE3 4.12Å; M393-W402 HydrophobicContact CE-CG 4.16Å; M393-W402 HydrophobicContact SD-CB 4.13Å; M393-W402 HydrophobicContact SD-CD2 4.49Å; M393-W402 HydrophobicContact SD-CG 4.06Å; E398-W402 WeakPolarHBondContact O-CB 3.41Å; E398-W402 PolarHBondContact O-N 2.91Å; I399-W402 WeakPolarHBondContact O-CB 3.45Å; I399-W402 PolarHBondContact O-N 3.26Å; I399-W402 VanDerWaalsContact O-N 3.16Å; L400-W402 VanDerWaalsContact C-N 3.33Å; W402-L404 PolarHBondContact O-N 3.06Å; W402-R405 PolarHBondContact O-N 3.31Å; W402-R405 VanDerWaalsContact O-N 3.13Å; W402-V406 HydrophobicContact CD2-CG1 4.11Å; W402-V406 HydrophobicContact CH2-CG1 4.19Å; W402-V406 HydrophobicContact CH2-CG2 4.31Å; W402-V406 HydrophobicContact CZ2-CG1 3.62Å; W402-V406 HydrophobicContact CZ3-CG2 4.32Å; W402-V406 WeakPolarHBondContact O-CG2 3.45Å; W402-V406 PolarHBondContact O-N 3.07Å; W402-P411 HydrophobicContact CH2-CG 3.77Å; W402-P411 HydrophobicContact CZ3-CG 3.61Å
403	T	98.8	Very high	98.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-59.7	-36.6	175.1	58.2	0	0	0	0	112.2	I387 I399 L400 E401 V406 R407 H408 Y437	I387-T403 HydrophobicContact CD1-CG2 3.29Å; I399-T403 WeakPolarHBondContact O-CG2 3.27Å; I399-T403 PolarHBondContact O-N 3.3Å; L400-T403 PolarHBondContact O-OG1 3.17Å; E401-T403 PolarHBondContact O-N 2.73Å; T403-V406 WeakPolarHBondContact O-CG2 3.23Å; T403-R407 PolarHBondContact O-N 3.03Å; T403-H408 WeakPolarHBondContact CB-O 3.38Å; T403-H408 CarbonylContact O-C 3.56Å; T403-H408 PolarHBondContact O-N 2.84Å; T403-Y437 WeakPolarHBondContact OG1-CE1 3.28Å; T403-Y437 PolarHBondContact OG1-OH 3.05Å
404	L	98.5	Very high	98.4	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.01	10%	0.103	C	C	.	.	H	α-helix	trans	-70.9	-38.8	177.1	-166.3	65.9	0	0	0	111.7	L216 L400 E401 W402 R407 F430 P434 Y437 I450 V458 L460	L216-L404 HydrophobicContact CD2-CB 4.43Å; L216-L404 HydrophobicContact CD2-CD1 4.44Å; L216-L404 HydrophobicContact CD2-CD2 3.87Å; L216-L404 HydrophobicContact CD2-CG 3.55Å; L400-L404 PolarHBondContact O-N 3.12Å; E401-L404 WeakPolarHBondContact O-CA 3.29Å; E401-L404 WeakPolarHBondContact O-CB 3.48Å; E401-L404 PolarHBondContact O-N 2.92Å; E401-L404 VanDerWaalsContact O-N 3.07Å; W402-L404 PolarHBondContact O-N 3.06Å; L404-R407 PolarHBondContact O-N 3.45Å; L404-R407 VanDerWaalsContact O-N 3.16Å; L404-F430 HydrophobicContact CD1-CD1 3.93Å; L404-F430 HydrophobicContact CD1-CE1 3.44Å; L404-F430 VanDerWaalsContact CD1-CE1 3.44Å; L404-F430 HydrophobicContact CD1-CE2 4.19Å; L404-F430 HydrophobicContact CD1-CG 4.46Å; L404-F430 HydrophobicContact CD1-CZ 3.6Å; L404-P434 HydrophobicContact CD1-CG 4.36Å; L404-Y437 HydrophobicContact CB-CD1 4.16Å; L404-Y437 HydrophobicContact CB-CE1 4.19Å; L404-Y437 HydrophobicContact CD1-CD1 4.17Å; L404-Y437 HydrophobicContact CD1-CE1 4.49Å; L404-Y437 HydrophobicContact CD2-CD1 4.28Å; L404-Y437 HydrophobicContact CG-CD1 4.42Å; L404-I450 HydrophobicContact CD2-CD1 3.77Å; L404-V458 HydrophobicContact CD2-CB 4.22Å; L404-V458 HydrophobicContact CD2-CG1 3.88Å; L404-V458 HydrophobicContact CD2-CG2 4.2Å; L404-L460 HydrophobicContact CD2-CD2 3.87Å
405	R	98.4	Very high	98.3	Very high	58 Å²	58	19.4 Å²	19.4	22%	0.219	9%	0.093	C	C	.	.	H	α-helix	trans	-69.3	-35.2	175.7	-65.4	-64.3	-177.4	-175.5	-0.6	113.4	F213 D215 E401 W402 R407 Q451	F213-R405 WeakPolarHBondContact CB-O 3.3Å; D215-R405 WeakPolarHBondContact CA-O 3.45Å; D215-R405 PolarHBondContact N-O 3.16Å; D215-R405 WeakPolarHBondContact OD1-CD 3.26Å; D215-R405 IonicContact OD1-CZ 3.88Å; D215-R405 IonicContact OD1-NH1 3.75Å; D215-R405 PolarHBondContact OD1-NH1 3.03Å; D215-R405 IonicContact OD2-NH1 2.73Å; E401-R405 HydrophobicContact CG-CG 4Å; E401-R405 WeakPolarHBondContact O-CG 3.18Å; E401-R405 PolarHBondContact O-N 3.37Å; E401-R405 IonicContact OE1-CZ 3.76Å; E401-R405 IonicContact OE1-NE 2.76Å; E401-R405 PolarHBondContact OE1-NE 3.34Å; E401-R405 IonicContact OE1-NH2 3.27Å; E401-R405 PolarHBondContact OE1-NH2 3.04Å; E401-R405 VanDerWaalsContact OE1-NH2 3.15Å; W402-R405 PolarHBondContact O-N 3.31Å; W402-R405 VanDerWaalsContact O-N 3.13Å; R405-R407 PolarHBondContact O-N 3.22Å; R405-Q451 PolarHBondContact NH1-O 3.4Å; R405-Q451 PolarHBondContact NH2-O 2.73Å; R405-Q451 VanDerWaalsContact NH2-O 3.09Å
406	V	98.4	Very high	98.1	Very high	2 Å²	2	17.1 Å²	17.1	1%	0.012	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	1.8	172.7	-55.1	0	0	0	0	112.8	M96 T192 F213 W402 T403 H408 P411	M96-V406 WeakPolarHBondContact CE-O 3.25Å; T192-V406 HydrophobicContact CG2-CB 4.36Å; T192-V406 HydrophobicContact CG2-CG1 4.04Å; F213-V406 HydrophobicContact CD1-CG1 3.78Å; F213-V406 HydrophobicContact CE1-CG1 4.05Å; F213-V406 HydrophobicContact CG-CG1 4.05Å; W402-V406 HydrophobicContact CD2-CG1 4.11Å; W402-V406 HydrophobicContact CH2-CG1 4.19Å; W402-V406 HydrophobicContact CH2-CG2 4.31Å; W402-V406 HydrophobicContact CZ2-CG1 3.62Å; W402-V406 HydrophobicContact CZ3-CG2 4.32Å; W402-V406 WeakPolarHBondContact O-CG2 3.45Å; W402-V406 PolarHBondContact O-N 3.07Å; T403-V406 WeakPolarHBondContact O-CG2 3.23Å; V406-H408 HydrophobicContact CG2-CB 4.25Å; V406-H408 PolarHBondContact O-N 3.03Å; V406-P411 HydrophobicContact CG2-CG 4.41Å
407	R	98.6	Very high	98	Very high	17 Å²	17	16.6 Å²	16.6	6%	0.064	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	54	38	179.5	-157	178.6	176.1	160.2	-3.1	112.6	M96 A214 D215 T403 L404 R405 F430	M96-R407 HydrophobicContact CE-CB 4.15Å; A214-R407 HydrophobicContact CB-CB 3.81Å; D215-R407 WeakPolarHBondContact O-CB 3.34Å; T403-R407 PolarHBondContact O-N 3.03Å; L404-R407 PolarHBondContact O-N 3.45Å; L404-R407 VanDerWaalsContact O-N 3.16Å; R405-R407 PolarHBondContact O-N 3.22Å; R407-F430 HydrophobicContact CG-CB 3.94Å; R407-F430 HydrophobicContact CG-CD2 4.5Å; R407-F430 PolarHBondContact NE-O 2.91Å; R407-F430 PolarHBondContact NH2-O 2.78Å; R407-F430 PolarHBondContact O-N 3.28Å
408	H	98.8	Very high	97.8	Very high	5 Å²	5	16.8 Å²	16.8	2%	0.023	9%	0.085	C	C	.	.	B	Isolated β-bridge	trans	-149	125.2	178.6	-163.1	-76.7	0	0	0	112.3	R92 T403 V406 S410 P411 D426 F428	R92-H408 VanDerWaalsContact CZ-NE2 3.25Å; R92-H408 PolarHBondContact NE-NE2 2.73Å; R92-H408 PolarHBondContact NH2-NE2 3.42Å; T403-H408 WeakPolarHBondContact CB-O 3.38Å; T403-H408 CarbonylContact O-C 3.56Å; T403-H408 PolarHBondContact O-N 2.84Å; V406-H408 HydrophobicContact CG2-CB 4.25Å; V406-H408 PolarHBondContact O-N 3.03Å; H408-S410 VanDerWaalsContact C-N 3.33Å; H408-S410 PolarHBondContact CE1-O 3.16Å; H408-S410 PolarHBondContact ND1-N 3.07Å; H408-S410 VanDerWaalsContact ND1-N 3.15Å; H408-S410 PolarHBondContact ND1-O 3.31Å; H408-S410 PolarHBondContact O-N 2.79Å; H408-P411 VanDerWaalsContact ND1-CA 3.33Å; H408-P411 WeakPolarHBondContact ND1-CA 3.42Å; H408-D426 IonicContact NE2-OD1 3.35Å; H408-D426 IonicContact NE2-OD2 2.87Å; H408-D426 PolarHBondContact NE2-OD2 2.69Å; H408-F428 CarbonylContact C-O 3.54Å; H408-F428 WeakPolarHBondContact CA-O 3.17Å; H408-F428 WeakPolarHBondContact CE1-CB 3.27Å
409	I	98.8	Very high	97.7	Very high	4 Å²	4	13.6 Å²	13.6	2%	0.021	7%	0.071	C	C	.	.	S	Bend	trans	-61	-41	-175.6	-63.1	171.1	0	0	0	111.6	F74 P366 L377 T379 N383 F428 F430	F74-I409 HydrophobicContact CE1-CD1 4.38Å; F74-I409 HydrophobicContact CZ-CD1 3.98Å; P366-I409 HydrophobicContact CG-CG2 4.32Å; L377-I409 HydrophobicContact CD1-CD1 4.37Å; L377-I409 HydrophobicContact CD2-CD1 3.94Å; L377-I409 HydrophobicContact CD2-CG1 4.2Å; T379-I409 HydrophobicContact CG2-CG2 3.7Å; N383-I409 PolarHBondContact ND2-O 2.94Å; I409-F428 HydrophobicContact CB-CB 4.16Å; I409-F428 WeakPolarHBondContact CG1-O 3.42Å; I409-F428 PolarHBondContact N-O 2.87Å; I409-F430 HydrophobicContact CG1-CD2 4.37Å; I409-F430 HydrophobicContact CG1-CE1 4.15Å; I409-F430 HydrophobicContact CG1-CE2 3.77Å; I409-F430 HydrophobicContact CG1-CZ 3.64Å
410	S	98.5	Very high	97.6	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.073	C	C	.	.			trans	-146.5	74.4	-175.6	-167.3	0	0	0	0	112.2	H408 T412 A413 L417	H408-S410 VanDerWaalsContact C-N 3.33Å; H408-S410 PolarHBondContact CE1-O 3.16Å; H408-S410 PolarHBondContact ND1-N 3.07Å; H408-S410 VanDerWaalsContact ND1-N 3.15Å; H408-S410 PolarHBondContact ND1-O 3.31Å; H408-S410 PolarHBondContact O-N 2.79Å; S410-T412 PolarHBondContact O-N 3.48Å; S410-A413 WeakPolarHBondContact O-CB 3.27Å; S410-A413 PolarHBondContact O-N 2.93Å; S410-A413 VanDerWaalsContact O-N 3.1Å; S410-L417 WeakPolarHBondContact OG-CD2 3.23Å
411	P	98.3	Very high	97.5	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-30.1	-173.7	22.4	-33.1	0	0	0	113.2	R92 V189 T190 G191 I387 W402 V406 H408 A413	R92-P411 PolarHBondContact NH1-O 2.82Å; V189-P411 HydrophobicContact CG2-CG 4.32Å; T190-P411 CarbonylContact O-C 3.44Å; G191-P411 WeakPolarHBondContact CA-O 3.37Å; I387-P411 HydrophobicContact CD1-CG 4.37Å; W402-P411 HydrophobicContact CH2-CG 3.77Å; W402-P411 HydrophobicContact CZ3-CG 3.61Å; V406-P411 HydrophobicContact CG2-CG 4.41Å; H408-P411 VanDerWaalsContact ND1-CA 3.33Å; H408-P411 WeakPolarHBondContact ND1-CA 3.42Å; P411-A413 PolarHBondContact O-N 3.37Å
412	T	98.1	Very high	97.2	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.006	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-9.6	179.1	59	0	0	0	0	114.6	V189 D386 I387 S410 D415 T416	V189-T412 HydrophobicContact CB-CG2 3.9Å; V189-T412 HydrophobicContact CG2-CG2 3.63Å; D386-T412 WeakPolarHBondContact OD2-CB 3.46Å; D386-T412 PolarHBondContact OD2-OG1 3.16Å; I387-T412 HydrophobicContact CG1-CG2 3.96Å; S410-T412 PolarHBondContact O-N 3.48Å; T412-D415 PolarHBondContact O-N 3.4Å; T412-T416 WeakPolarHBondContact CB-OG1 3.43Å; T412-T416 PolarHBondContact O-N 3.39Å; T412-T416 VanDerWaalsContact O-N 3.14Å
413	A	97.4	Very high	96.8	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	134.2	174.2	0	0	0	0	0	111	R92 S410 P411 L417 C419 F428	R92-A413 PolarHBondContact NH1-O 3.32Å; R92-A413 PolarHBondContact NH2-O 3.07Å; S410-A413 WeakPolarHBondContact O-CB 3.27Å; S410-A413 PolarHBondContact O-N 2.93Å; S410-A413 VanDerWaalsContact O-N 3.1Å; P411-A413 PolarHBondContact O-N 3.37Å; A413-L417 VanDerWaalsContact CA-O 3.28Å; A413-L417 WeakPolarHBondContact CA-O 3.13Å; A413-L417 WeakPolarHBondContact CB-O 3.38Å; A413-C419 HydrophobicContact CB-CB 3.99Å; A413-F428 HydrophobicContact CB-CE2 4.36Å
414	P	96.2	Very high	96.5	Very high	15 Å²	15	24.6 Å²	24.6	10%	0.097	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	cis	-90.8	-1.7	5.8	33.9	-38.4	0	0	0	116.9	Y85 I88 Y89 L417	Y85-P414 HydrophobicContact CD1-CB 3.57Å; Y85-P414 HydrophobicContact CD1-CG 3.54Å; Y85-P414 HydrophobicContact CE1-CB 3.65Å; Y85-P414 HydrophobicContact CE1-CG 4.17Å; Y85-P414 HydrophobicContact CG-CB 4.03Å; Y85-P414 HydrophobicContact CG-CG 3.75Å; I88-P414 HydrophobicContact CG2-CG 3.97Å; Y89-P414 HydrophobicContact CE2-CG 3.98Å; Y89-P414 WeakPolarHBondContact OH-CD 3.3Å; P414-L417 CarbonylContact C-O 3.56Å; P414-L417 WeakPolarHBondContact CA-O 3.27Å
415	D	95.1	Very high	96.4	Very high	63 Å²	63	28.1 Å²	28.1	34%	0.337	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-53.8	-166.2	-167.8	50.7	0	0	0	113.6	Q139 T190 T412	Q139-D415 PolarHBondContact NE2-OD2 3Å; Q139-D415 VanDerWaalsContact NE2-OD2 3.15Å; T190-D415 HydrophobicContact CG2-CB 4.04Å; T412-D415 PolarHBondContact O-N 3.4Å
416	T	94.4	Very high	96.3	Very high	30 Å²	30	25.4 Å²	25.4	18%	0.184	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-34.3	-178.5	52.2	0	0	0	0	112.4	D386 Y390 T412	D386-T416 PolarHBondContact OD2-OG1 2.84Å; Y390-T416 HydrophobicContact CD1-CG2 4.41Å; Y390-T416 HydrophobicContact CD2-CG2 3.95Å; Y390-T416 HydrophobicContact CE1-CG2 3.9Å; Y390-T416 HydrophobicContact CE2-CG2 3.43Å; Y390-T416 VanDerWaalsContact CE2-CG2 3.43Å; Y390-T416 HydrophobicContact CG-CG2 4.42Å; T412-T416 WeakPolarHBondContact CB-OG1 3.43Å; T412-T416 PolarHBondContact O-N 3.39Å; T412-T416 VanDerWaalsContact O-N 3.14Å
417	L	96	Very high	96.3	Very high	17 Å²	17	26.2 Å²	26.2	9%	0.089	13%	0.133	C	C	.	.	S	Bend	trans	-102	113.5	170.7	-170.6	60.5	0	0	0	110.7	L341 Q382 N383 D386 S410 A413 P414 C419	L341-L417 HydrophobicContact CD1-CD2 3.49Å; L341-L417 VanDerWaalsContact CD1-CD2 3.49Å; L341-L417 HydrophobicContact CD1-CG 4.14Å; L341-L417 HydrophobicContact CG-CD2 4.41Å; Q382-L417 HydrophobicContact CB-CD1 4.19Å; Q382-L417 HydrophobicContact CB-CD2 4.21Å; N383-L417 HydrophobicContact CB-CD2 4.39Å; D386-L417 HydrophobicContact CB-CB 4.25Å; D386-L417 HydrophobicContact CB-CD2 4.4Å; S410-L417 WeakPolarHBondContact OG-CD2 3.23Å; A413-L417 VanDerWaalsContact CA-O 3.28Å; A413-L417 WeakPolarHBondContact CA-O 3.13Å; A413-L417 WeakPolarHBondContact CB-O 3.38Å; P414-L417 CarbonylContact C-O 3.56Å; P414-L417 WeakPolarHBondContact CA-O 3.27Å; L417-C419 PolarHBondContact O-N 3.34Å
418	G	95.8	Very high	96.3	Very high	18 Å²	18	25.4 Å²	25.4	19%	0.186	13%	0.13	C	C	.	.			trans	-61	132.9	-177	0	0	0	0	0	113	T340 L341	T340-G418 WeakPolarHBondContact CA-O 3.48Å; L341-G418 PolarHBondContact N-O 3.28Å
419	C	96.8	Very high	96.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.131	C	C	.	.	B	Isolated β-bridge	trans	-134.5	167.7	174	79.3	0	0	0	0	112.5	Y85 L341 A413 L417 F428	Y85-C419 WeakPolarHBondContact CE1-O 3.47Å; Y85-C419 PolarHBondContact OH-O 2.8Å; L341-C419 HydrophobicContact CB-CB 4.24Å; L341-C419 CarbonylContact O-C 3.6Å; L341-C419 WeakPolarHBondContact O-CA 3.19Å; L341-C419 VanDerWaalsContact O-CB 3.29Å; L341-C419 WeakPolarHBondContact O-CB 3.41Å; A413-C419 HydrophobicContact CB-CB 3.99Å; L417-C419 PolarHBondContact O-N 3.34Å; C419-F428 HydrophobicContact CB-CE2 3.97Å; C419-F428 HydrophobicContact CB-CZ 4.39Å
420	Y	96.6	Very high	96.2	Very high	14 Å²	14	25.7 Å²	25.7	6%	0.055	13%	0.132	C	C	.	.			trans	-65.6	138.6	171.8	-178.9	-105.1	0	0	0	110.4	L76 R79 S80 F81 L341 F422	L76-Y420 HydrophobicContact CD1-CD1 4.15Å; L76-Y420 HydrophobicContact CD1-CD2 3.91Å; L76-Y420 HydrophobicContact CD1-CE2 4.48Å; L76-Y420 HydrophobicContact CD1-CG 3.73Å; L76-Y420 HydrophobicContact CD2-CD1 3.87Å; L76-Y420 HydrophobicContact CD2-CE1 4.12Å; L76-Y420 HydrophobicContact CD2-CG 4.3Å; R79-Y420 HydrophobicContact CB-CE2 4.3Å; S80-Y420 PolarHBondContact N-OH 3.48Å; S80-Y420 PolarHBondContact O-OH 2.95Å; F81-Y420 HydrophobicContact CD1-CD2 4.46Å; F81-Y420 AromaticContact CE1-CD2 3.94Å; F81-Y420 HydrophobicContact CE1-CD2 3.94Å; F81-Y420 HydrophobicContact CE1-CE2 4.29Å; F81-Y420 HydrophobicContact CZ-CD2 4.27Å; F81-Y420 HydrophobicContact CZ-CE2 4.4Å; L341-Y420 PolarHBondContact O-N 2.72Å; Y420-F422 VanDerWaalsContact C-N 3.29Å; Y420-F422 AromaticContact CD1-CD1 3.79Å; Y420-F422 HydrophobicContact CD1-CD1 3.79Å; Y420-F422 HydrophobicContact CD1-CD2 4.22Å; Y420-F422 AromaticContact CD1-CE1 3.67Å; Y420-F422 HydrophobicContact CD1-CE1 3.67Å; Y420-F422 HydrophobicContact CD1-CE2 4.1Å; Y420-F422 HydrophobicContact CD1-CG 4.06Å; Y420-F422 AromaticContact CD1-CZ 3.82Å; Y420-F422 HydrophobicContact CD1-CZ 3.82Å; Y420-F422 HydrophobicContact CE1-CD1 4.28Å; Y420-F422 HydrophobicContact CE1-CE1 4.31Å; Y420-F422 HydrophobicContact CG-CZ 4.41Å; Y420-F422 WeakPolarHBondContact O-CD2 3.1Å; Y420-F422 PolarHBondContact O-N 3.28Å
421	P	95.4	Very high	96	Very high	4 Å²	4	31.7 Å²	31.7	3%	0.026	16%	0.163	C	C	.	.			trans	-74.9	78.1	-179	30.3	-36.4	0	0	0	111.7	R83 Y85	R83-P421 HydrophobicContact CB-CB 4.3Å; R83-P421 HydrophobicContact CB-CG 4.44Å; Y85-P421 HydrophobicContact CD1-CB 3.96Å; Y85-P421 HydrophobicContact CE1-CB 3.86Å
422	F	93.5	Very high	95.9	Very high	23 Å²	23	35.4 Å²	35.4	10%	0.101	18%	0.18	C	C	.	.			trans	-64.2	146.8	173.3	-63.9	-80.1	0	0	0	111.4	L76 I88 P342 Y420 T425 P427 F428	L76-F422 HydrophobicContact CD2-CE1 3.67Å; L76-F422 HydrophobicContact CD2-CZ 3.82Å; I88-F422 HydrophobicContact CD1-CB 4.29Å; I88-F422 HydrophobicContact CD1-CD2 4.09Å; I88-F422 HydrophobicContact CG1-CB 4.27Å; I88-F422 PolarHBondContact N-O 3.41Å; P342-F422 HydrophobicContact CG-CZ 4Å; Y420-F422 VanDerWaalsContact C-N 3.29Å; Y420-F422 AromaticContact CD1-CD1 3.79Å; Y420-F422 HydrophobicContact CD1-CD1 3.79Å; Y420-F422 HydrophobicContact CD1-CD2 4.22Å; Y420-F422 AromaticContact CD1-CE1 3.67Å; Y420-F422 HydrophobicContact CD1-CE1 3.67Å; Y420-F422 HydrophobicContact CD1-CE2 4.1Å; Y420-F422 HydrophobicContact CD1-CG 4.06Å; Y420-F422 AromaticContact CD1-CZ 3.82Å; Y420-F422 HydrophobicContact CD1-CZ 3.82Å; Y420-F422 HydrophobicContact CE1-CD1 4.28Å; Y420-F422 HydrophobicContact CE1-CE1 4.31Å; Y420-F422 HydrophobicContact CG-CZ 4.41Å; Y420-F422 WeakPolarHBondContact O-CD2 3.1Å; Y420-F422 PolarHBondContact O-N 3.28Å; F422-T425 WeakPolarHBondContact CB-O 3.38Å; F422-P427 HydrophobicContact CD1-CG 4.31Å; F422-P427 HydrophobicContact CD2-CG 4.09Å; F422-P427 HydrophobicContact CE1-CG 3.88Å; F422-P427 HydrophobicContact CE2-CG 3.64Å; F422-P427 HydrophobicContact CG-CG 4.42Å; F422-P427 HydrophobicContact CZ-CG 3.52Å; F422-F428 HydrophobicContact CE2-CZ 4.47Å
423	Y	91.3	Very high	95.9	Very high	95 Å²	95	35.4 Å²	35.4	37%	0.373	18%	0.18	S	C	.	.	S	Bend	trans	-136.3	-11.3	-175	77.1	-71.2	0	0	0	114.8	R83 T91	R83-Y423 PolarHBondContact NH2-OH 2.88Å; T91-Y423 PolarHBondContact OG1-O 2.92Å
424	K	92.6	Very high	96	Very high	149 Å²	149	35.7 Å²	35.7	65%	0.648	18%	0.182	S	C	*	.	S	Bend	trans	-109.9	-42.6	-178.8	-79	175.7	168	171.5	0	112.2	T91	T91-K424 WeakPolarHBondContact CG2-O 3.34Å
425	T	94.8	Very high	96.1	Very high	75 Å²	75	35.4 Å²	35.4	46%	0.46	18%	0.179	S	C	.	.			trans	-152	137.6	-175.2	-59.4	0	0	0	0	108.1	F422 P427	F422-T425 WeakPolarHBondContact CB-O 3.38Å; T425-P427 WeakPolarHBondContact O-CD 3.43Å
426	D	97.6	Very high	96.3	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.011	16%	0.163	C	C	.	.			trans	-87.8	110	171.4	-168.3	-23.9	0	0	0	108.3	R92 H408 F428 I429	R92-D426 IonicContact CZ-OD2 3.06Å; R92-D426 VanDerWaalsContact CZ-OD2 3.27Å; R92-D426 IonicContact NE-OD2 2.78Å; R92-D426 PolarHBondContact NE-OD2 3.5Å; R92-D426 IonicContact NH2-OD2 3.34Å; R92-D426 PolarHBondContact NH2-OD2 3.34Å; H408-D426 IonicContact NE2-OD1 3.35Å; H408-D426 IonicContact NE2-OD2 2.87Å; H408-D426 PolarHBondContact NE2-OD2 2.69Å; D426-F428 PolarHBondContact O-N 3.42Å; D426-F428 WeakPolarHBondContact OD1-CB 3.36Å; D426-F428 PolarHBondContact OD1-N 2.79Å; D426-I429 HydrophobicContact CB-CD1 4Å; D426-I429 HydrophobicContact CB-CG1 4.28Å; D426-I429 PolarHBondContact O-N 2.79Å
427	P	97.4	Very high	96.5	Very high	18 Å²	18	31 Å²	31	12%	0.117	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-7.5	-176.7	32.9	-37.2	0	0	0	113	P73 F74 F422 T425 I429	P73-P427 HydrophobicContact CB-CB 4.33Å; F74-P427 HydrophobicContact CD1-CB 4.16Å; F74-P427 HydrophobicContact CE1-CB 4.03Å; F74-P427 WeakPolarHBondContact CE1-O 3.32Å; F422-P427 HydrophobicContact CD1-CG 4.31Å; F422-P427 HydrophobicContact CD2-CG 4.09Å; F422-P427 HydrophobicContact CE1-CG 3.88Å; F422-P427 HydrophobicContact CE2-CG 3.64Å; F422-P427 HydrophobicContact CG-CG 4.42Å; F422-P427 HydrophobicContact CZ-CG 3.52Å; T425-P427 WeakPolarHBondContact O-CD 3.43Å; P427-I429 VanDerWaalsContact C-N 3.34Å
428	F	98.6	Very high	96.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-5.4	-179.5	-57.2	-39.3	0	0	0	113.5	F74 L341 P366 H408 I409 A413 C419 F422 D426	F74-F428 HydrophobicContact CD1-CE1 4.44Å; F74-F428 HydrophobicContact CE1-CD1 4.13Å; F74-F428 HydrophobicContact CE1-CE1 4.33Å; L341-F428 HydrophobicContact CB-CE1 4.31Å; L341-F428 HydrophobicContact CB-CE2 4.39Å; L341-F428 HydrophobicContact CB-CZ 3.62Å; P366-F428 HydrophobicContact CG-CD1 4.4Å; P366-F428 HydrophobicContact CG-CE1 4.16Å; H408-F428 CarbonylContact C-O 3.54Å; H408-F428 WeakPolarHBondContact CA-O 3.17Å; H408-F428 WeakPolarHBondContact CE1-CB 3.27Å; I409-F428 HydrophobicContact CB-CB 4.16Å; I409-F428 WeakPolarHBondContact CG1-O 3.42Å; I409-F428 PolarHBondContact N-O 2.87Å; A413-F428 HydrophobicContact CB-CE2 4.36Å; C419-F428 HydrophobicContact CB-CE2 3.97Å; C419-F428 HydrophobicContact CB-CZ 4.39Å; F422-F428 HydrophobicContact CE2-CZ 4.47Å; D426-F428 PolarHBondContact O-N 3.42Å; D426-F428 WeakPolarHBondContact OD1-CB 3.36Å; D426-F428 PolarHBondContact OD1-N 2.79Å
429	I	98.6	Very high	96.8	Very high	8 Å²	8	29.3 Å²	29.3	4%	0.041	14%	0.142	C	C	.	.	B	Isolated β-bridge	trans	-78.1	131.3	172.8	-63.4	169.4	0	0	0	109.7	R92 Q95 M96 F99 D426 P427 L431	R92-I429 HydrophobicContact CG-CD1 4.21Å; Q95-I429 HydrophobicContact CB-CD1 3.73Å; M96-I429 HydrophobicContact CG-CD1 3.89Å; M96-I429 HydrophobicContact CG-CG1 4.38Å; M96-I429 HydrophobicContact SD-CD1 4.15Å; M96-I429 HydrophobicContact SD-CG1 4.12Å; M96-I429 HydrophobicContact SD-CG2 3.84Å; F99-I429 HydrophobicContact CE2-CG2 4.38Å; D426-I429 HydrophobicContact CB-CD1 4Å; D426-I429 HydrophobicContact CB-CG1 4.28Å; D426-I429 PolarHBondContact O-N 2.79Å; P427-I429 VanDerWaalsContact C-N 3.34Å; I429-L431 PolarHBondContact O-N 3.28Å; I429-L431 VanDerWaalsContact O-N 3.17Å
430	F	98.1	Very high	96.9	Very high	8 Å²	8	29.3 Å²	29.3	4%	0.035	14%	0.142	C	C	.	.			trans	-73.2	110.1	175.4	-63.2	-101.4	0	0	0	110.5	A217 L377 L404 R407 I409 P434 Y437	A217-F430 HydrophobicContact CB-CB 4.25Å; A217-F430 WeakPolarHBondContact CB-O 3.4Å; L377-F430 HydrophobicContact CD2-CD1 3.81Å; L377-F430 HydrophobicContact CD2-CE1 3.21Å; L377-F430 HydrophobicContact CD2-CZ 4.03Å; L404-F430 HydrophobicContact CD1-CD1 3.93Å; L404-F430 HydrophobicContact CD1-CE1 3.44Å; L404-F430 VanDerWaalsContact CD1-CE1 3.44Å; L404-F430 HydrophobicContact CD1-CE2 4.19Å; L404-F430 HydrophobicContact CD1-CG 4.46Å; L404-F430 HydrophobicContact CD1-CZ 3.6Å; R407-F430 HydrophobicContact CG-CB 3.94Å; R407-F430 HydrophobicContact CG-CD2 4.5Å; R407-F430 PolarHBondContact NE-O 2.91Å; R407-F430 PolarHBondContact NH2-O 2.78Å; R407-F430 PolarHBondContact O-N 3.28Å; I409-F430 HydrophobicContact CG1-CD2 4.37Å; I409-F430 HydrophobicContact CG1-CE1 4.15Å; I409-F430 HydrophobicContact CG1-CE2 3.77Å; I409-F430 HydrophobicContact CG1-CZ 3.64Å; F430-P434 HydrophobicContact CE1-CG 4.42Å; F430-Y437 HydrophobicContact CE1-CE2 4.3Å; F430-Y437 HydrophobicContact CZ-CE1 4.1Å; F430-Y437 HydrophobicContact CZ-CE2 4.13Å; F430-Y437 AromaticContact CZ-CZ 3.82Å
431	L	94.3	Very high	96.9	Very high	126 Å²	126	29.7 Å²	29.7	66%	0.66	15%	0.145	S	C	*	.	S	Bend	trans	-79.2	-40	172.8	-61.5	-178.1	0	0	0	111.7	I429	I429-L431 PolarHBondContact O-N 3.28Å; I429-L431 VanDerWaalsContact O-N 3.17Å
432	E	96.2	Very high	97.1	Very high	78 Å²	78	29.7 Å²	29.7	36%	0.364	14%	0.144	S	C	.	.	S	Bend	trans	-129.4	150	171.1	-57.6	-173	153.1	0	0	109.3	P218 K220 R375	P218-E432 WeakPolarHBondContact O-CA 3.23Å; K220-E432 IonicContact NZ-OE1 3.46Å; K220-E432 PolarHBondContact NZ-OE1 2.96Å; R375-E432 IonicContact CZ-OE2 3.88Å; R375-E432 IonicContact NH1-OE2 3.53Å; R375-E432 PolarHBondContact NH1-OE2 3.25Å
433	C	97.8	Very high	97.3	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.007	17%	0.166	C	C	.	.			trans	-81	132.8	-179.7	-168.2	0	0	0	0	110.5	A217 P218 Q219 R375 V458	A217-C433 HydrophobicContact CB-CB 4.3Å; A217-C433 VanDerWaalsContact O-CB 3.24Å; A217-C433 WeakPolarHBondContact O-CB 3.44Å; P218-C433 PolarHBondContact O-N 3.22Å; Q219-C433 HydrophobicContact CB-CB 3.97Å; Q219-C433 HydrophobicContact CG-CB 4.2Å; R375-C433 PolarHBondContact NH1-O 2.9Å; R375-C433 VanDerWaalsContact NH1-O 3.16Å; R375-C433 PolarHBondContact NH2-O 3.46Å; C433-V458 WeakPolarHBondContact SG-CG2 3.48Å
434	P	98.4	Very high	97.6	Very high	6 Å²	6	31.5 Å²	31.5	4%	0.039	17%	0.172	C	C	.	.			trans	-71.3	159.9	176.3	31.5	-36.9	0	0	0	111.7	Q219 L377 L404 F430 Y437 V458	Q219-P434 PolarHBondContact NE2-O 2.81Å; L377-P434 HydrophobicContact CB-CB 3.86Å; L377-P434 HydrophobicContact CB-CG 4.2Å; L404-P434 HydrophobicContact CD1-CG 4.36Å; F430-P434 HydrophobicContact CE1-CG 4.42Å; P434-Y437 HydrophobicContact CG-CG 4.37Å; P434-V458 HydrophobicContact CG-CG1 4.45Å; P434-V458 WeakPolarHBondContact O-CG2 3.44Å
435	H	98.7	Very high	97.9	Very high	8 Å²	8	27.6 Å²	27.6	4%	0.037	16%	0.155	C	C	.	.	S	Bend	trans	-82.1	-36.7	168.9	-61.6	136	0	0	0	111.2	Q219 K220 V374 R375 L459	Q219-H435 PolarHBondContact NE2-CD2 3.47Å; K220-H435 PolarHBondContact O-CE1 2.98Å; K220-H435 VanDerWaalsContact O-CE1 3.31Å; K220-H435 PolarHBondContact O-NE2 2.93Å; V374-H435 HydrophobicContact CG1-CB 3.66Å; R375-H435 PolarHBondContact N-ND1 3.32Å; R375-H435 PolarHBondContact O-N 3.43Å; H435-L459 PolarHBondContact O-N 3.01Å
436	V	98.9	Very high	98	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	123.1	174.3	-175.1	0	0	0	0	108.5	V374 R375 F376 L377 L459 V461 V475 L480	V374-V436 HydrophobicContact CG1-CG2 3.9Å; R375-V436 PolarHBondContact O-N 3.46Å; F376-V436 WeakPolarHBondContact CA-O 3.46Å; F376-V436 HydrophobicContact CD1-CB 3.74Å; F376-V436 HydrophobicContact CD1-CG1 3.84Å; F376-V436 HydrophobicContact CD1-CG2 4.34Å; F376-V436 HydrophobicContact CD2-CB 4.44Å; F376-V436 HydrophobicContact CE1-CB 3.71Å; F376-V436 HydrophobicContact CE1-CG1 3.63Å; F376-V436 HydrophobicContact CE1-CG2 3.88Å; F376-V436 HydrophobicContact CE2-CB 4.4Å; F376-V436 HydrophobicContact CE2-CG2 4.05Å; F376-V436 HydrophobicContact CG-CB 4.12Å; F376-V436 HydrophobicContact CZ-CB 4.04Å; F376-V436 HydrophobicContact CZ-CG1 4.32Å; F376-V436 HydrophobicContact CZ-CG2 3.7Å; L377-V436 PolarHBondContact N-O 3.29Å; V436-L459 CarbonylContact C-O 3.55Å; V436-L459 WeakPolarHBondContact CA-O 3.19Å; V436-L459 HydrophobicContact CG1-CD2 4.19Å; V436-L459 HydrophobicContact CG1-CG 4.47Å; V436-L459 HydrophobicContact CG2-CB 4.27Å; V436-L459 HydrophobicContact CG2-CD2 4.14Å; V436-V461 HydrophobicContact CG1-CG2 4.32Å; V436-V475 HydrophobicContact CG2-CG1 4.4Å; V436-L480 HydrophobicContact CG2-CD2 4.08Å
437	Y	98.9	Very high	98.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	117.3	174.2	-174	-138.3	0	0	0	109.8	L377 L400 T403 L404 F430 P434 L459 L460 V461	L377-Y437 HydrophobicContact CB-CD2 4.15Å; L377-Y437 HydrophobicContact CD2-CD2 3.86Å; L377-Y437 HydrophobicContact CD2-CE2 3.76Å; L377-Y437 HydrophobicContact CG-CD2 4.16Å; L377-Y437 HydrophobicContact CG-CE2 4.21Å; L377-Y437 VanDerWaalsContact O-CA 3.3Å; L377-Y437 WeakPolarHBondContact O-CA 3.38Å; L377-Y437 WeakPolarHBondContact O-CD2 3.34Å; L400-Y437 HydrophobicContact CD1-CD1 3.63Å; L400-Y437 HydrophobicContact CD1-CE1 3.2Å; L400-Y437 HydrophobicContact CD1-CE2 4.31Å; L400-Y437 HydrophobicContact CD1-CG 4.36Å; L400-Y437 HydrophobicContact CG-CD1 3.84Å; L400-Y437 HydrophobicContact CG-CE1 3.84Å; L400-Y437 WeakPolarHBondContact O-CE1 3.33Å; T403-Y437 WeakPolarHBondContact OG1-CE1 3.28Å; T403-Y437 PolarHBondContact OG1-OH 3.05Å; L404-Y437 HydrophobicContact CB-CD1 4.16Å; L404-Y437 HydrophobicContact CB-CE1 4.19Å; L404-Y437 HydrophobicContact CD1-CD1 4.17Å; L404-Y437 HydrophobicContact CD1-CE1 4.49Å; L404-Y437 HydrophobicContact CD2-CD1 4.28Å; L404-Y437 HydrophobicContact CG-CD1 4.42Å; F430-Y437 HydrophobicContact CE1-CE2 4.3Å; F430-Y437 HydrophobicContact CZ-CE1 4.1Å; F430-Y437 HydrophobicContact CZ-CE2 4.13Å; F430-Y437 AromaticContact CZ-CZ 3.82Å; P434-Y437 HydrophobicContact CG-CG 4.37Å; Y437-L459 PolarHBondContact N-O 2.87Å; Y437-L460 HydrophobicContact CD1-CD2 4Å; Y437-L460 HydrophobicContact CG-CD2 4.47Å; Y437-L460 WeakPolarHBondContact O-CA 3.16Å; Y437-V461 PolarHBondContact O-N 3.24Å
438	F	98.9	Very high	98.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	155.1	-175	72.1	-92.3	0	0	0	113.8	L233 I277 A279 M330 F376 L377 G378 T379 V461 V463	L233-F438 HydrophobicContact CD1-CB 4.12Å; L233-F438 HydrophobicContact CD1-CD1 4.48Å; L233-F438 HydrophobicContact CD1-CG 4.2Å; I277-F438 HydrophobicContact CG2-CZ 4.21Å; A279-F438 HydrophobicContact CB-CE2 3.88Å; M330-F438 HydrophobicContact CE-CE2 4.33Å; M330-F438 HydrophobicContact CE-CZ 4.41Å; M330-F438 HydrophobicContact SD-CE2 3.99Å; M330-F438 HydrophobicContact SD-CZ 3.84Å; F376-F438 HydrophobicContact CD1-CD1 4.31Å; F376-F438 HydrophobicContact CD1-CE1 4.35Å; L377-F438 WeakPolarHBondContact O-CD1 3.42Å; L377-F438 PolarHBondContact O-N 3.46Å; G378-F438 WeakPolarHBondContact CA-O 3.48Å; T379-F438 PolarHBondContact N-O 2.92Å; F438-V461 CarbonylContact C-O 3.52Å; F438-V461 WeakPolarHBondContact CA-O 3.43Å; F438-V461 HydrophobicContact CB-CB 4.11Å; F438-V461 WeakPolarHBondContact CB-O 3.32Å; F438-V463 HydrophobicContact CB-CG2 4.44Å; F438-V463 HydrophobicContact CD2-CG2 4.47Å
439	C	98.7	Very high	98.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	126.3	174.7	177.5	0	0	0	0	109	G381 V384 L400 T442 V461 V463	G381-C439 WeakPolarHBondContact CA-SG 3.45Å; V384-C439 HydrophobicContact CG2-CB 4.2Å; V384-C439 VanDerWaalsContact CG2-SG 3.55Å; L400-C439 HydrophobicContact CD1-CB 3.85Å; L400-C439 HydrophobicContact CD2-CB 3.94Å; L400-C439 HydrophobicContact CG-CB 4.44Å; C439-T442 HydrophobicContact CB-CG2 4.42Å; C439-V461 PolarHBondContact N-O 3.19Å; C439-V463 PolarHBondContact O-N 3.43Å
440	G	98.5	Very high	98.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	169.2	172.8	0	0	0	0	0	113.5	T379 G381 T442 V463	T379-G440 PolarHBondContact O-N 3.42Å; G381-G440 VanDerWaalsContact CA-O 3.29Å; G381-G440 WeakPolarHBondContact CA-O 3.36Å; G440-T442 VanDerWaalsContact C-N 3.31Å; G440-T442 PolarHBondContact O-N 2.94Å; G440-V463 CarbonylContact C-O 3.57Å
441	N	98.3	Very high	98.1	Very high	23 Å²	23	39.6 Å²	39.6	12%	0.123	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	58	36	166	-55.6	-64.2	0	0	0	114.5	S235 G236 A279 G280 N281 S380 V463	S235-N441 PolarHBondContact OG-N 3.49Å; G236-N441 WeakPolarHBondContact CA-OD1 3.26Å; G236-N441 PolarHBondContact N-OD1 2.96Å; A279-N441 PolarHBondContact O-ND2 3.36Å; A279-N441 VanDerWaalsContact O-ND2 3.1Å; G280-N441 PolarHBondContact O-OD1 3Å; N281-N441 WeakPolarHBondContact CB-OD1 3.35Å; S380-N441 PolarHBondContact O-ND2 3.36Å; N441-V463 PolarHBondContact N-O 3.36Å; N441-V463 VanDerWaalsContact N-O 3.1Å
442	T	98.1	Very high	98.1	Very high	3 Å²	3	34.2 Å²	34.2	2%	0.018	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	155.1	175.2	60.4	0	0	0	0	111.3	H396 C439 G440 S444 T462 V463 P464 D465	H396-T442 HydrophobicContact CB-CG2 4.12Å; C439-T442 HydrophobicContact CB-CG2 4.42Å; G440-T442 VanDerWaalsContact C-N 3.31Å; G440-T442 PolarHBondContact O-N 2.94Å; T442-S444 PolarHBondContact O-N 2.94Å; T442-S444 PolarHBondContact OG1-O 3.23Å; T442-T462 HydrophobicContact CG2-CG2 4.01Å; T442-T462 WeakPolarHBondContact OG1-CB 3.47Å; T442-V463 PolarHBondContact N-O 3.27Å; T442-V463 VanDerWaalsContact N-O 3.07Å; T442-V463 PolarHBondContact OG1-O 2.8Å; T442-V463 VanDerWaalsContact OG1-O 3.05Å; T442-P464 CarbonylContact O-C 3.54Å; T442-P464 WeakPolarHBondContact O-CA 3.4Å; T442-D465 PolarHBondContact O-N 2.79Å
443	P	97.7	Very high	97.9	Very high	85 Å²	85	33.9 Å²	33.9	55%	0.552	19%	0.193	S	C	*	.	S	Bend	trans	-67.5	-22.5	179.9	26	-35.1	0	0	0	113.3
444	S	98.1	Very high	97.6	Very high	72 Å²	72	38.7 Å²	38.7	50%	0.503	22%	0.215	S	C	.	.	S	Bend	trans	-146.2	158.6	-179.6	57.4	0	0	0	0	111.4	T442	T442-S444 PolarHBondContact O-N 2.94Å; T442-S444 PolarHBondContact OG1-O 3.23Å
445	F	98.6	Very high	97.3	Very high	66 Å²	66	45.4 Å²	45.4	29%	0.289	25%	0.251	S	S	.	.			trans	-69.3	142	170.8	167.7	-107.3	0	0	0	110.7	V461 P464 C473 P484	F445-V461 HydrophobicContact CE2-CG1 4.46Å; F445-P464 HydrophobicContact CB-CG 4.16Å; F445-C473 WeakPolarHBondContact CD2-SG 3.48Å; F445-C473 HydrophobicContact CE2-CB 4.43Å; F445-P484 HydrophobicContact CD1-CB 3.96Å; F445-P484 HydrophobicContact CD1-CG 3.9Å; F445-P484 HydrophobicContact CD2-CB 4.37Å; F445-P484 HydrophobicContact CE1-CB 4.18Å; F445-P484 HydrophobicContact CE1-CG 3.84Å; F445-P484 HydrophobicContact CG-CB 4.05Å; F445-P484 HydrophobicContact CG-CG 4.49Å; F445-P484 HydrophobicContact CZ-CB 4.47Å; F445-P484 HydrophobicContact CZ-CG 4.39Å
446	G	98.5	Very high	97.3	Very high	13 Å²	13	45.1 Å²	45.1	13%	0.134	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	143.9	172.1	0	0	0	0	0	110.6	V461 T462	G446-V461 WeakPolarHBondContact O-CA 3.43Å; G446-T462 WeakPolarHBondContact CA-OG1 3.3Å; G446-T462 PolarHBondContact N-O 3.23Å; G446-T462 PolarHBondContact N-OG1 2.89Å; G446-T462 PolarHBondContact O-N 2.64Å; G446-T462 PolarHBondContact O-OG1 2.86Å
447	S	98.6	Very high	97.2	Very high	41 Å²	41	47.4 Å²	47.4	29%	0.287	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	141.6	174.9	-173.7	0	0	0	0	111.3	L459 L460 C482	S447-L459 VanDerWaalsContact OG-CD1 3.31Å; S447-L459 WeakPolarHBondContact OG-CD1 3.43Å; S447-L460 VanDerWaalsContact CA-O 3.24Å; S447-L460 WeakPolarHBondContact CA-O 3.37Å; S447-L460 PolarHBondContact OG-O 2.79Å; S447-L460 VanDerWaalsContact OG-O 3.05Å; S447-C482 WeakPolarHBondContact OG-CB 3.23Å
448	K	98.3	Very high	97.2	Very high	73 Å²	73	47.4 Å²	47.4	32%	0.317	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	140.8	-179.8	178.5	173.1	66.9	-175.6	0	109.9	L397 E401 I450 L460	L397-K448 HydrophobicContact CD2-CB 3.85Å; L397-K448 HydrophobicContact CG-CB 4.43Å; E401-K448 WeakPolarHBondContact OE2-CE 3.32Å; E401-K448 IonicContact OE2-NZ 2.98Å; E401-K448 PolarHBondContact OE2-NZ 3.33Å; K448-I450 HydrophobicContact CD-CG2 4.23Å; K448-I450 HydrophobicContact CG-CG2 4.13Å; K448-L460 PolarHBondContact N-O 3.45Å; K448-L460 VanDerWaalsContact N-O 3.11Å; K448-L460 WeakPolarHBondContact O-CB 3.48Å; K448-L460 PolarHBondContact O-N 3.48Å
449	I	98.4	Very high	97.2	Very high	91 Å²	91	47.5 Å²	47.5	47%	0.467	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	130.6	167	-63.3	175.6	0	0	0	108	T457 V458 L459	I449-T457 HydrophobicContact CG2-CG2 3.57Å; I449-V458 WeakPolarHBondContact CA-O 3.46Å; I449-L459 HydrophobicContact CG1-CD1 3.88Å
450	I	98.2	Very high	97.2	Very high	9 Å²	9	47.5 Å²	47.5	5%	0.046	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	153.9	172.5	68.7	164.9	0	0	0	110.5	L216 E401 L404 K448 V458 L460	L216-I450 HydrophobicContact CD1-CD1 4.41Å; L216-I450 HydrophobicContact CD2-CD1 4.44Å; E401-I450 HydrophobicContact CG-CD1 4.09Å; E401-I450 HydrophobicContact CG-CG2 4.43Å; L404-I450 HydrophobicContact CD2-CD1 3.77Å; K448-I450 HydrophobicContact CD-CG2 4.23Å; K448-I450 HydrophobicContact CG-CG2 4.13Å; I450-V458 HydrophobicContact CG1-CB 3.99Å; I450-V458 PolarHBondContact N-O 3.14Å; I450-V458 PolarHBondContact O-N 2.96Å; I450-L460 HydrophobicContact CD1-CD1 4.28Å; I450-L460 HydrophobicContact CG1-CD1 4.45Å; I450-L460 HydrophobicContact CG1-CG 4.47Å; I450-L460 HydrophobicContact CG2-CD1 3.86Å; I450-L460 HydrophobicContact CG2-CG 4.42Å
451	Q	96.9	Very high	97.2	Very high	136 Å²	136	47.5 Å²	47.5	64%	0.636	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111	146	171.9	-67.4	-169.6	-20.5	0	0	111.4	R405 Q456	R405-Q451 PolarHBondContact NH1-O 3.4Å; R405-Q451 PolarHBondContact NH2-O 2.73Å; R405-Q451 VanDerWaalsContact NH2-O 3.09Å; Q451-Q456 CarbonylContact C-O 3.05Å; Q451-Q456 VanDerWaalsContact CA-O 3.26Å; Q451-Q456 WeakPolarHBondContact CA-O 3.25Å
452	G	94.9	Very high	97.3	Very high	14 Å²	14	46.5 Å²	46.5	14%	0.144	26%	0.259	C	S	.	.			trans	-98.7	171.8	174.3	0	0	0	0	0	113.4	E454 Q456	G452-E454 PolarHBondContact O-N 3.14Å; G452-Q456 VanDerWaalsContact C-OE1 3.27Å; G452-Q456 VanDerWaalsContact CA-OE1 3.29Å; G452-Q456 PolarHBondContact N-O 3.42Å
453	P	91.8	Very high	97.3	Very high	70 Å²	70	46.4 Å²	46.4	46%	0.455	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-20.4	178.9	-21	33.4	0	0	0	115.2	D215	D215-P453 HydrophobicContact CB-CG 4.48Å; D215-P453 VanDerWaalsContact OD2-CG 3.23Å; D215-P453 WeakPolarHBondContact OD2-CG 3.32Å
454	E	91.7	Very high	97.3	Very high	102 Å²	102	42.4 Å²	42.4	48%	0.477	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.3	44.5	-176.8	-59.3	161.3	-129.1	0	0	110.1	R103 G452 Q456	R103-E454 IonicContact CZ-OE1 2.73Å; R103-E454 IonicContact NH1-OE1 3.11Å; R103-E454 IonicContact NH2-OE1 2.88Å; R103-E454 PolarHBondContact NH2-OE1 2.98Å; G452-E454 PolarHBondContact O-N 3.14Å; E454-Q456 VanDerWaalsContact C-OE1 3.31Å; E454-Q456 PolarHBondContact O-N 2.95Å
455	D	93.2	Very high	97.3	Very high	147 Å²	147	41.4 Å²	41.4	79%	0.786	22%	0.221	S	C	*	.	S	Bend	trans	56.2	20.8	179.3	-60	-43.5	0	0	0	114.8
456	Q	97.3	Very high	97.3	Very high	3 Å²	3	38.2 Å²	38.2	1%	0.014	21%	0.208	C	C	.	.			trans	-65.9	141.3	172.2	-55.7	97.9	-26.7	0	0	109.8	L216 A217 Q219 Q451 G452 E454	L216-Q456 HydrophobicContact CD1-CB 4.06Å; A217-Q456 PolarHBondContact O-NE2 3.12Å; Q219-Q456 HydrophobicContact CB-CB 3.99Å; Q219-Q456 HydrophobicContact CB-CG 3.55Å; Q219-Q456 VanDerWaalsContact OE1-CA 3.3Å; Q451-Q456 CarbonylContact C-O 3.05Å; Q451-Q456 VanDerWaalsContact CA-O 3.26Å; Q451-Q456 WeakPolarHBondContact CA-O 3.25Å; G452-Q456 VanDerWaalsContact C-OE1 3.27Å; G452-Q456 VanDerWaalsContact CA-OE1 3.29Å; G452-Q456 PolarHBondContact N-O 3.42Å; E454-Q456 VanDerWaalsContact C-OE1 3.31Å; E454-Q456 PolarHBondContact O-N 2.95Å
457	T	97.6	Very high	97.1	Very high	47 Å²	47	39.1 Å²	39.1	29%	0.288	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	124.1	174.4	-61.4	0	0	0	0	109.5	Q219 I449	Q219-T457 PolarHBondContact NE2-O 2.71Å; Q219-T457 PolarHBondContact OE1-O 2.78Å; I449-T457 HydrophobicContact CG2-CG2 3.57Å
458	V	98.7	Very high	96.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	126.9	-177.2	-168.8	0	0	0	0	110.1	L216 L404 C433 P434 I449 I450 L460	L216-V458 HydrophobicContact CD1-CG2 4.19Å; L404-V458 HydrophobicContact CD2-CB 4.22Å; L404-V458 HydrophobicContact CD2-CG1 3.88Å; L404-V458 HydrophobicContact CD2-CG2 4.2Å; C433-V458 WeakPolarHBondContact SG-CG2 3.48Å; P434-V458 HydrophobicContact CG-CG1 4.45Å; P434-V458 WeakPolarHBondContact O-CG2 3.44Å; I449-V458 WeakPolarHBondContact CA-O 3.46Å; I450-V458 HydrophobicContact CG1-CB 3.99Å; I450-V458 PolarHBondContact N-O 3.14Å; I450-V458 PolarHBondContact O-N 2.96Å; V458-L460 HydrophobicContact CG1-CD2 4.01Å
459	L	98.8	Very high	96.8	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.01	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	117.9	166.8	176.5	65.9	0	0	0	109.3	H435 V436 Y437 S447 I449 V461 V475 L480 C482	H435-L459 PolarHBondContact O-N 3.01Å; V436-L459 CarbonylContact C-O 3.55Å; V436-L459 WeakPolarHBondContact CA-O 3.19Å; V436-L459 HydrophobicContact CG1-CD2 4.19Å; V436-L459 HydrophobicContact CG1-CG 4.47Å; V436-L459 HydrophobicContact CG2-CB 4.27Å; V436-L459 HydrophobicContact CG2-CD2 4.14Å; Y437-L459 PolarHBondContact N-O 2.87Å; S447-L459 VanDerWaalsContact OG-CD1 3.31Å; S447-L459 WeakPolarHBondContact OG-CD1 3.43Å; I449-L459 HydrophobicContact CG1-CD1 3.88Å; L459-V461 HydrophobicContact CD1-CG2 4.4Å; L459-V461 HydrophobicContact CD2-CG2 4Å; L459-V461 HydrophobicContact CG-CG2 3.84Å; L459-V475 HydrophobicContact CD2-CG1 3.62Å; L459-V475 HydrophobicContact CD2-CG2 4.35Å; L459-L480 HydrophobicContact CB-CB 4.45Å; L459-L480 WeakPolarHBondContact CD1-O 3.07Å; L459-L480 HydrophobicContact CD2-CB 4.48Å; L459-L480 WeakPolarHBondContact CD2-O 3.41Å; L459-C482 HydrophobicContact CD1-CB 4.46Å; L459-C482 HydrophobicContact CD2-CB 4.37Å
460	L	98.9	Very high	96.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	137.1	170	-54.8	-176.7	0	0	0	109.8	L397 L400 E401 L404 Y437 S447 K448 I450 V458	L397-L460 HydrophobicContact CD1-CB 3.67Å; L400-L460 HydrophobicContact CD2-CB 4.38Å; E401-L460 HydrophobicContact CB-CD1 3.57Å; E401-L460 HydrophobicContact CG-CD1 4.18Å; L404-L460 HydrophobicContact CD2-CD2 3.87Å; Y437-L460 HydrophobicContact CD1-CD2 4Å; Y437-L460 HydrophobicContact CG-CD2 4.47Å; Y437-L460 WeakPolarHBondContact O-CA 3.16Å; S447-L460 VanDerWaalsContact CA-O 3.24Å; S447-L460 WeakPolarHBondContact CA-O 3.37Å; S447-L460 PolarHBondContact OG-O 2.79Å; S447-L460 VanDerWaalsContact OG-O 3.05Å; K448-L460 PolarHBondContact N-O 3.45Å; K448-L460 VanDerWaalsContact N-O 3.11Å; K448-L460 WeakPolarHBondContact O-CB 3.48Å; K448-L460 PolarHBondContact O-N 3.48Å; I450-L460 HydrophobicContact CD1-CD1 4.28Å; I450-L460 HydrophobicContact CG1-CD1 4.45Å; I450-L460 HydrophobicContact CG1-CG 4.47Å; I450-L460 HydrophobicContact CG2-CD1 3.86Å; I450-L460 HydrophobicContact CG2-CG 4.42Å; V458-L460 HydrophobicContact CG1-CD2 4.01Å
461	V	98.9	Very high	96.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	121.6	177	-171	0	0	0	0	110.7	L233 V436 Y437 F438 C439 F445 G446 L459 V463 C473 V475 C482	L233-V461 HydrophobicContact CD1-CB 4.47Å; L233-V461 HydrophobicContact CD1-CG1 4.25Å; V436-V461 HydrophobicContact CG1-CG2 4.32Å; Y437-V461 PolarHBondContact O-N 3.24Å; F438-V461 CarbonylContact C-O 3.52Å; F438-V461 WeakPolarHBondContact CA-O 3.43Å; F438-V461 HydrophobicContact CB-CB 4.11Å; F438-V461 WeakPolarHBondContact CB-O 3.32Å; C439-V461 PolarHBondContact N-O 3.19Å; F445-V461 HydrophobicContact CE2-CG1 4.46Å; G446-V461 WeakPolarHBondContact O-CA 3.43Å; L459-V461 HydrophobicContact CD1-CG2 4.4Å; L459-V461 HydrophobicContact CD2-CG2 4Å; L459-V461 HydrophobicContact CG-CG2 3.84Å; V461-V463 HydrophobicContact CG1-CG2 4.03Å; V461-C473 HydrophobicContact CG1-CB 4.2Å; V461-V475 HydrophobicContact CG2-CG2 4.35Å; V461-C482 HydrophobicContact CG2-CB 4.27Å
462	T	98.9	Very high	96.8	Very high	3 Å²	3	30.1 Å²	30.1	2%	0.018	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	107.9	165.8	52.2	0	0	0	0	108.3	H396 L397 L400 T442 G446	H396-T462 HydrophobicContact CB-CG2 4.23Å; L397-T462 HydrophobicContact CB-CG2 4.03Å; L397-T462 HydrophobicContact CD1-CG2 4.06Å; L400-T462 HydrophobicContact CD2-CG2 4.13Å; T442-T462 HydrophobicContact CG2-CG2 4.01Å; T442-T462 WeakPolarHBondContact OG1-CB 3.47Å; G446-T462 WeakPolarHBondContact CA-OG1 3.3Å; G446-T462 PolarHBondContact N-O 3.23Å; G446-T462 PolarHBondContact N-OG1 2.89Å; G446-T462 PolarHBondContact O-N 2.64Å; G446-T462 PolarHBondContact O-OG1 2.86Å
463	V	98.9	Very high	97	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	119.1	-178	-172.1	0	0	0	0	107.7	L233 S235 F438 C439 G440 N441 T442 V461	L233-V463 HydrophobicContact CB-CG1 4.16Å; L233-V463 HydrophobicContact CB-CG2 3.72Å; L233-V463 HydrophobicContact CD1-CG2 3.88Å; L233-V463 HydrophobicContact CG-CG2 4.44Å; S235-V463 WeakPolarHBondContact OG-CG1 3.38Å; S235-V463 PolarHBondContact OG-O 2.88Å; S235-V463 VanDerWaalsContact OG-O 3.12Å; F438-V463 HydrophobicContact CB-CG2 4.44Å; F438-V463 HydrophobicContact CD2-CG2 4.47Å; C439-V463 PolarHBondContact O-N 3.43Å; G440-V463 CarbonylContact C-O 3.57Å; N441-V463 PolarHBondContact N-O 3.36Å; N441-V463 VanDerWaalsContact N-O 3.1Å; T442-V463 PolarHBondContact N-O 3.27Å; T442-V463 VanDerWaalsContact N-O 3.07Å; T442-V463 PolarHBondContact OG1-O 2.8Å; T442-V463 VanDerWaalsContact OG1-O 3.05Å; V461-V463 HydrophobicContact CG1-CG2 4.03Å
464	P	98.6	Very high	97.3	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.006	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	161.1	-173.8	29.8	-34.4	0	0	0	112.4	S235 T442 F445 F466 T469 T471	S235-P464 PolarHBondContact OG-O 3.19Å; T442-P464 CarbonylContact O-C 3.54Å; T442-P464 WeakPolarHBondContact O-CA 3.4Å; F445-P464 HydrophobicContact CB-CG 4.16Å; P464-F466 PolarHBondContact O-N 3.03Å; P464-T469 HydrophobicContact CB-CG2 4.05Å; P464-T471 HydrophobicContact CG-CG2 3.95Å; P464-T471 WeakPolarHBondContact CG-O 3.44Å
465	D	97.8	Very high	97.6	Very high	51 Å²	51	21.5 Å²	21.5	27%	0.273	13%	0.132	S	C	.	.	B	Isolated β-bridge	trans	-65.1	110.1	167.7	177.8	18.7	0	0	0	110	G236 T442 S467 A468 T469	G236-D465 WeakPolarHBondContact CA-OD1 3.35Å; T442-D465 PolarHBondContact O-N 2.79Å; D465-S467 VanDerWaalsContact C-N 3.3Å; D465-S467 PolarHBondContact O-N 2.74Å; D465-S467 PolarHBondContact OD1-N 3.12Å; D465-A468 HydrophobicContact CB-CB 4.5Å; D465-A468 PolarHBondContact O-N 2.86Å; D465-T469 WeakPolarHBondContact O-CB 3.44Å; D465-T469 WeakPolarHBondContact O-CG2 3.43Å; D465-T469 PolarHBondContact O-N 3.32Å; D465-T469 PolarHBondContact O-OG1 2.8Å
466	F	97.6	Very high	97.8	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-65.5	-33.8	-176.2	-169.2	-87	0	0	0	111.9	V234 S235 G236 L237 L253 P464 A468 T469 Q470 T471 A472 F487	V234-F466 HydrophobicContact CG1-CB 4.09Å; V234-F466 HydrophobicContact CG1-CD2 3.91Å; V234-F466 HydrophobicContact CG1-CG 4.11Å; S235-F466 WeakPolarHBondContact O-CB 3.44Å; S235-F466 PolarHBondContact O-N 3.26Å; G236-F466 PolarHBondContact O-N 2.89Å; L237-F466 HydrophobicContact CD2-CD1 4.28Å; L253-F466 HydrophobicContact CB-CE2 4.38Å; L253-F466 HydrophobicContact CB-CZ 3.99Å; L253-F466 HydrophobicContact CD1-CE2 4.47Å; L253-F466 HydrophobicContact CD2-CD2 4.4Å; L253-F466 HydrophobicContact CD2-CE1 4.48Å; L253-F466 HydrophobicContact CD2-CE2 3.86Å; L253-F466 HydrophobicContact CD2-CZ 3.91Å; L253-F466 HydrophobicContact CG-CE2 4.48Å; L253-F466 HydrophobicContact CG-CZ 4.48Å; P464-F466 PolarHBondContact O-N 3.03Å; F466-A468 PolarHBondContact O-N 3.43Å; F466-T469 PolarHBondContact O-N 2.88Å; F466-Q470 WeakPolarHBondContact O-CA 3.5Å; F466-Q470 PolarHBondContact O-N 2.92Å; F466-T471 WeakPolarHBondContact CD2-O 3.37Å; F466-A472 HydrophobicContact CD2-CB 4.46Å; F466-A472 HydrophobicContact CE2-CB 4.48Å; F466-F487 AromaticContact CE2-CD2 3.8Å; F466-F487 HydrophobicContact CE2-CD2 3.8Å; F466-F487 HydrophobicContact CE2-CE2 4.18Å; F466-F487 AromaticContact CZ-CD2 3.92Å; F466-F487 HydrophobicContact CZ-CD2 3.92Å
467	S	95	Very high	97.8	Very high	31 Å²	31	14.6 Å²	14.6	22%	0.217	10%	0.095	C	C	.	.	H	α-helix	trans	-60.6	-35.8	179.9	-174.5	0	0	0	0	112	G236 D465	G236-S467 VanDerWaalsContact O-CB 3.32Å; G236-S467 WeakPolarHBondContact O-CB 3.35Å; G236-S467 PolarHBondContact O-N 2.9Å; D465-S467 VanDerWaalsContact C-N 3.3Å; D465-S467 PolarHBondContact O-N 2.74Å; D465-S467 PolarHBondContact OD1-N 3.12Å
468	A	93.9	Very high	97.6	Very high	79 Å²	79	17.4 Å²	17.4	65%	0.653	10%	0.1	S	C	*	.	H	α-helix	trans	-90.9	-37.5	179.1	0	0	0	0	0	113.6	D465 F466	D465-A468 HydrophobicContact CB-CB 4.5Å; D465-A468 PolarHBondContact O-N 2.86Å; F466-A468 PolarHBondContact O-N 3.43Å
469	T	96.4	Very high	97.5	Very high	46 Å²	46	19.1 Å²	19.1	28%	0.282	11%	0.112	S	C	.	.	H	α-helix	trans	-107.4	-13.9	-168.5	66.6	0	0	0	0	114.3	P464 D465 F466 T471	P464-T469 HydrophobicContact CB-CG2 4.05Å; D465-T469 WeakPolarHBondContact O-CB 3.44Å; D465-T469 WeakPolarHBondContact O-CG2 3.43Å; D465-T469 PolarHBondContact O-N 3.32Å; D465-T469 PolarHBondContact O-OG1 2.8Å; F466-T469 PolarHBondContact O-N 2.88Å; T469-T471 PolarHBondContact O-N 3.06Å; T469-T471 PolarHBondContact O-OG1 3.22Å; T469-T471 PolarHBondContact OG1-N 3.31Å
470	Q	97.2	Very high	97.3	Very high	22 Å²	22	20.4 Å²	20.4	10%	0.103	12%	0.119	C	C	.	.			trans	46.9	33.7	-171	-53.2	-172	-55.4	0	0	113.1	E245 F466 S486 F487	E245-Q470 PolarHBondContact O-NE2 3.01Å; F466-Q470 WeakPolarHBondContact O-CA 3.5Å; F466-Q470 PolarHBondContact O-N 2.92Å; Q470-S486 WeakPolarHBondContact O-CA 3.5Å; Q470-F487 WeakPolarHBondContact CB-O 3.43Å; Q470-F487 PolarHBondContact O-N 3.36Å; Q470-F487 PolarHBondContact OE1-O 2.91Å
471	T	98.4	Very high	97.2	Very high	15 Å²	15	21.8 Å²	21.8	9%	0.092	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	135.3	-173.2	-61.1	0	0	0	0	110.8	P464 F466 T469 P484 I485 S486	P464-T471 HydrophobicContact CG-CG2 3.95Å; P464-T471 WeakPolarHBondContact CG-O 3.44Å; F466-T471 WeakPolarHBondContact CD2-O 3.37Å; T469-T471 PolarHBondContact O-N 3.06Å; T469-T471 PolarHBondContact O-OG1 3.22Å; T469-T471 PolarHBondContact OG1-N 3.31Å; T471-P484 HydrophobicContact CG2-CB 3.83Å; T471-I485 CarbonylContact C-O 3.57Å; T471-I485 VanDerWaalsContact CA-O 3.3Å; T471-I485 WeakPolarHBondContact CA-O 3.07Å; T471-S486 PolarHBondContact OG1-OG 3.25Å
472	A	98.5	Very high	97.2	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	170.1	173.9	0	0	0	0	0	110.5	L232 V234 L253 F466 P484 I485	L232-A472 HydrophobicContact CD1-CB 3.84Å; V234-A472 HydrophobicContact CG2-CB 3.95Å; L253-A472 HydrophobicContact CD1-CB 4.18Å; F466-A472 HydrophobicContact CD2-CB 4.46Å; F466-A472 HydrophobicContact CE2-CB 4.48Å; A472-P484 CarbonylContact O-C 3.43Å; A472-P484 VanDerWaalsContact O-CA 3.3Å; A472-P484 WeakPolarHBondContact O-CA 3.49Å; A472-I485 PolarHBondContact N-O 3.13Å; A472-I485 PolarHBondContact O-N 3.4Å
473	C	98.6	Very high	97.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	125.9	-177.1	-54	0	0	0	0	111.4	L232 L233 F445 V461	L232-C473 WeakPolarHBondContact CA-O 3.42Å; L233-C473 HydrophobicContact CB-CB 4.23Å; L233-C473 PolarHBondContact N-O 2.66Å; L233-C473 PolarHBondContact O-N 3.47Å; F445-C473 WeakPolarHBondContact CD2-SG 3.48Å; F445-C473 HydrophobicContact CE2-CB 4.43Å; V461-C473 HydrophobicContact CG1-CB 4.2Å
474	L	98.3	Very high	97	Very high	4 Å²	4	27 Å²	27	2%	0.021	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	121.4	167.7	-79.7	-171.9	0	0	0	111	F37 F230 L232 V273 C482 Q483 I485	F37-L474 HydrophobicContact CB-CD1 3.72Å; F37-L474 HydrophobicContact CD1-CD1 3.94Å; F37-L474 HydrophobicContact CD2-CD1 3.26Å; F37-L474 HydrophobicContact CE1-CD1 4.39Å; F37-L474 HydrophobicContact CE2-CD1 3.77Å; F37-L474 HydrophobicContact CG-CD1 3.35Å; F37-L474 HydrophobicContact CZ-CD1 4.32Å; F230-L474 HydrophobicContact CB-CD2 4.22Å; F230-L474 HydrophobicContact CD1-CB 4.46Å; L232-L474 HydrophobicContact CB-CD2 3.77Å; L232-L474 HydrophobicContact CD1-CD2 3.61Å; L232-L474 HydrophobicContact CD1-CG 4.11Å; L232-L474 HydrophobicContact CG-CD2 4.27Å; V273-L474 HydrophobicContact CG2-CD2 4.22Å; L474-C482 CarbonylContact O-C 3.5Å; L474-C482 VanDerWaalsContact O-CA 3.32Å; L474-C482 WeakPolarHBondContact O-CA 3.47Å; L474-Q483 PolarHBondContact N-O 3.13Å; L474-Q483 PolarHBondContact O-N 3.39Å; L474-I485 HydrophobicContact CD1-CD1 3.3Å; L474-I485 HydrophobicContact CD1-CG1 4.26Å; L474-I485 HydrophobicContact CG-CD1 3.62Å; L474-I485 HydrophobicContact CG-CG1 4.27Å
475	V	98.4	Very high	97	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	120.3	174.7	-179.6	0	0	0	0	109.5	F230 V231 L233 F376 V436 L459 V461 A481 C482	F230-V475 CarbonylContact C-O 3.55Å; F230-V475 VanDerWaalsContact CA-O 3.28Å; F230-V475 WeakPolarHBondContact CA-O 3.35Å; V231-V475 PolarHBondContact N-O 2.64Å; V231-V475 PolarHBondContact O-N 3.13Å; L233-V475 HydrophobicContact CD1-CG2 3.99Å; L233-V475 HydrophobicContact CG-CG2 4.48Å; F376-V475 HydrophobicContact CZ-CG1 4.33Å; V436-V475 HydrophobicContact CG2-CG1 4.4Å; L459-V475 HydrophobicContact CD2-CG1 3.62Å; L459-V475 HydrophobicContact CD2-CG2 4.35Å; V461-V475 HydrophobicContact CG2-CG2 4.35Å; V475-A481 WeakPolarHBondContact CA-O 3.35Å; V475-C482 HydrophobicContact CG2-CB 4.33Å
476	N	97.5	Very high	96.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	119.3	170.6	-177.9	-32.2	0	0	0	109.8	D228 R229 F230 R478 S479 L480 A481	D228-N476 VanDerWaalsContact CG-ND2 3.28Å; D228-N476 PolarHBondContact OD1-ND2 3.22Å; D228-N476 PolarHBondContact OD1-OD1 3.21Å; R229-N476 WeakPolarHBondContact O-CA 3.44Å; F230-N476 HydrophobicContact CD1-CB 4Å; F230-N476 HydrophobicContact CE1-CB 3.76Å; N476-R478 VanDerWaalsContact C-N 3.3Å; N476-R478 PolarHBondContact O-N 3.14Å; N476-R478 WeakPolarHBondContact OD1-CB 3.28Å; N476-R478 PolarHBondContact OD1-N 3.46Å; N476-S479 WeakPolarHBondContact CB-OG 3.48Å; N476-S479 PolarHBondContact OD1-N 3.39Å; N476-L480 VanDerWaalsContact O-CA 3.23Å; N476-L480 WeakPolarHBondContact O-CA 3.46Å; N476-L480 PolarHBondContact O-N 3.46Å; N476-A481 PolarHBondContact N-O 3.07Å
477	L	96.3	Very high	96.8	Very high	6 Å²	6	30.7 Å²	30.7	3%	0.031	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-21.7	-176.1	-60.9	-171.3	0	0	0	114.1	L225 R229 V231 I371 D372 V374 F376	L225-L477 HydrophobicContact CD1-CB 3.63Å; R229-L477 HydrophobicContact CB-CB 4.36Å; R229-L477 HydrophobicContact CB-CD1 4.09Å; R229-L477 HydrophobicContact CB-CG 4.35Å; R229-L477 WeakPolarHBondContact O-CG 3.43Å; R229-L477 PolarHBondContact O-N 2.65Å; V231-L477 HydrophobicContact CG2-CD1 4.05Å; V231-L477 HydrophobicContact CG2-CD2 3.82Å; V231-L477 HydrophobicContact CG2-CG 4.17Å; I371-L477 HydrophobicContact CG2-CD1 3.98Å; D372-L477 HydrophobicContact CB-CD1 4.05Å; V374-L477 HydrophobicContact CB-CD2 4.23Å; V374-L477 HydrophobicContact CG1-CD2 4.35Å; V374-L477 HydrophobicContact CG2-CB 4.07Å; V374-L477 HydrophobicContact CG2-CD2 4.29Å; F376-L477 HydrophobicContact CE2-CD2 3.55Å; F376-L477 HydrophobicContact CZ-CD2 3.47Å; F376-L477 VanDerWaalsContact CZ-CD2 3.47Å
478	R	94.9	Very high	96.8	Very high	106 Å²	106	33.6 Å²	33.6	40%	0.4	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-40.9	-179.8	-173.1	175.1	67.2	162.7	4.1	112	L225 D226 D228 N476	L225-R478 HydrophobicContact CB-CB 4.22Å; L225-R478 HydrophobicContact CB-CG 4.26Å; L225-R478 WeakPolarHBondContact O-CD 3.33Å; L225-R478 WeakPolarHBondContact O-CG 3.46Å; D226-R478 PolarHBondContact O-NH1 3.3Å; D228-R478 IonicContact OD1-CZ 3.17Å; D228-R478 IonicContact OD1-NE 3.85Å; D228-R478 PolarHBondContact OD1-NE 3.09Å; D228-R478 IonicContact OD1-NH2 3.33Å; D228-R478 PolarHBondContact OD1-NH2 2.69Å; D228-R478 IonicContact OD2-CZ 3.15Å; D228-R478 IonicContact OD2-NE 3.66Å; D228-R478 IonicContact OD2-NH2 2.71Å; D228-R478 PolarHBondContact OD2-NH2 3.32Å; N476-R478 VanDerWaalsContact C-N 3.3Å; N476-R478 PolarHBondContact O-N 3.14Å; N476-R478 WeakPolarHBondContact OD1-CB 3.28Å; N476-R478 PolarHBondContact OD1-N 3.46Å
479	S	95	Very high	96.5	Very high	35 Å²	35	30.9 Å²	30.9	25%	0.245	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-14.8	-178.6	58.9	0	0	0	0	114.5	N476 A481	N476-S479 WeakPolarHBondContact CB-OG 3.48Å; N476-S479 PolarHBondContact OD1-N 3.39Å; S479-A481 PolarHBondContact O-N 3.16Å; S479-A481 WeakPolarHBondContact OG-CB 3.26Å; S479-A481 PolarHBondContact OG-N 3.11Å
480	L	96	Very high	96	Very high	29 Å²	29	38.3 Å²	38.3	15%	0.152	22%	0.215	C	C	.	.			trans	55.3	31.2	-168	-58.6	178.1	0	0	0	112.9	V374 V436 L459 N476	V374-L480 HydrophobicContact CG1-CD2 4.01Å; V436-L480 HydrophobicContact CG2-CD2 4.08Å; L459-L480 HydrophobicContact CB-CB 4.45Å; L459-L480 WeakPolarHBondContact CD1-O 3.07Å; L459-L480 HydrophobicContact CD2-CB 4.48Å; L459-L480 WeakPolarHBondContact CD2-O 3.41Å; N476-L480 VanDerWaalsContact O-CA 3.23Å; N476-L480 WeakPolarHBondContact O-CA 3.46Å; N476-L480 PolarHBondContact O-N 3.46Å
481	A	96.6	Very high	95.4	Very high	30 Å²	30	39.3 Å²	39.3	25%	0.248	23%	0.231	C	C	.	.			trans	-90.8	141.5	171.9	0	0	0	0	0	110.5	M36 V475 N476 S479	M36-A481 HydrophobicContact CE-CB 3.59Å; M36-A481 HydrophobicContact SD-CB 3.34Å; M36-A481 WeakPolarHBondContact SD-CB 3.28Å; V475-A481 WeakPolarHBondContact CA-O 3.35Å; N476-A481 PolarHBondContact N-O 3.07Å; S479-A481 PolarHBondContact O-N 3.16Å; S479-A481 WeakPolarHBondContact OG-CB 3.26Å; S479-A481 PolarHBondContact OG-N 3.11Å
482	C	98	Very high	94.5	Very high	21 Å²	21	43.8 Å²	43.8	14%	0.142	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	128.6	177.4	-170.9	0	0	0	0	110.1	S447 L459 V461 L474 V475	S447-C482 WeakPolarHBondContact OG-CB 3.23Å; L459-C482 HydrophobicContact CD1-CB 4.46Å; L459-C482 HydrophobicContact CD2-CB 4.37Å; V461-C482 HydrophobicContact CG2-CB 4.27Å; L474-C482 CarbonylContact O-C 3.5Å; L474-C482 VanDerWaalsContact O-CA 3.32Å; L474-C482 WeakPolarHBondContact O-CA 3.47Å; V475-C482 HydrophobicContact CG2-CB 4.33Å
483	Q	96.9	Very high	93.2	Very high	40 Å²	40	50.8 Å²	50.8	19%	0.187	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	135	176.4	178	-177.7	-6.2	0	0	110.2	M36 S38 L474	M36-Q483 HydrophobicContact CE-CB 3.52Å; S38-Q483 PolarHBondContact OG-NE2 3.28Å; L474-Q483 PolarHBondContact N-O 3.13Å; L474-Q483 PolarHBondContact O-N 3.39Å
484	P	97.9	Very high	91.8	Very high	52 Å²	52	56.4 Å²	56.4	34%	0.338	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	145.8	171.8	31.5	-33.2	0	0	0	111.2	F445 T471 A472	F445-P484 HydrophobicContact CD1-CB 3.96Å; F445-P484 HydrophobicContact CD1-CG 3.9Å; F445-P484 HydrophobicContact CD2-CB 4.37Å; F445-P484 HydrophobicContact CE1-CB 4.18Å; F445-P484 HydrophobicContact CE1-CG 3.84Å; F445-P484 HydrophobicContact CG-CB 4.05Å; F445-P484 HydrophobicContact CG-CG 4.49Å; F445-P484 HydrophobicContact CZ-CB 4.47Å; F445-P484 HydrophobicContact CZ-CG 4.39Å; T471-P484 HydrophobicContact CG2-CB 3.83Å; A472-P484 CarbonylContact O-C 3.43Å; A472-P484 VanDerWaalsContact O-CA 3.3Å; A472-P484 WeakPolarHBondContact O-CA 3.49Å
485	I	97.2	Very high	90.3	Very high	30 Å²	30	63 Å²	63	15%	0.154	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	122.5	165.8	-58.2	-174	0	0	0	107.6	F37 T471 A472 L474 F487	F37-I485 HydrophobicContact CD1-CD1 4.1Å; F37-I485 HydrophobicContact CE1-CD1 4.16Å; T471-I485 CarbonylContact C-O 3.57Å; T471-I485 VanDerWaalsContact CA-O 3.3Å; T471-I485 WeakPolarHBondContact CA-O 3.07Å; A472-I485 PolarHBondContact N-O 3.13Å; A472-I485 PolarHBondContact O-N 3.4Å; L474-I485 HydrophobicContact CD1-CD1 3.3Å; L474-I485 HydrophobicContact CD1-CG1 4.26Å; L474-I485 HydrophobicContact CG-CD1 3.62Å; L474-I485 HydrophobicContact CG-CG1 4.27Å; I485-F487 HydrophobicContact CB-CE2 4.21Å; I485-F487 HydrophobicContact CB-CZ 4.29Å; I485-F487 HydrophobicContact CG2-CD2 4.39Å; I485-F487 HydrophobicContact CG2-CE1 3.97Å; I485-F487 HydrophobicContact CG2-CE2 3.61Å; I485-F487 HydrophobicContact CG2-CZ 3.38Å
486	S	97.3	Very high	88.6	Confident	80 Å²	80	70.3 Å²	70.3	56%	0.559	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.1	139	178.6	-55.1	0	0	0	0	110.2	Q470 T471	Q470-S486 WeakPolarHBondContact O-CA 3.5Å; T471-S486 PolarHBondContact OG1-OG 3.25Å
487	F	95.6	Very high	86.8	Confident	19 Å²	19	76.8 Å²	76.8	8%	0.083	44%	0.441	C	S	.	.			trans	-117.1	131.4	-178.8	-56.5	-90.9	0	0	0	108.8	L252 L253 V256 F466 Q470 I485	L252-F487 HydrophobicContact CB-CB 4.26Å; L252-F487 HydrophobicContact CB-CD1 3.72Å; L252-F487 HydrophobicContact CB-CG 4.32Å; L252-F487 HydrophobicContact CD1-CB 4.41Å; L253-F487 HydrophobicContact CB-CD2 4.18Å; L253-F487 HydrophobicContact CB-CE1 4.28Å; L253-F487 HydrophobicContact CB-CE2 3.93Å; L253-F487 HydrophobicContact CB-CG 4.5Å; L253-F487 HydrophobicContact CB-CZ 3.96Å; L253-F487 HydrophobicContact CD1-CD2 4.42Å; L253-F487 HydrophobicContact CD1-CE2 3.48Å; L253-F487 VanDerWaalsContact CD1-CE2 3.48Å; L253-F487 HydrophobicContact CD1-CZ 3.57Å; L253-F487 HydrophobicContact CG-CE2 4.31Å; L253-F487 HydrophobicContact CG-CZ 4.39Å; V256-F487 HydrophobicContact CB-CE1 4.25Å; V256-F487 HydrophobicContact CG2-CE1 3.94Å; F466-F487 AromaticContact CE2-CD2 3.8Å; F466-F487 HydrophobicContact CE2-CD2 3.8Å; F466-F487 HydrophobicContact CE2-CE2 4.18Å; F466-F487 AromaticContact CZ-CD2 3.92Å; F466-F487 HydrophobicContact CZ-CD2 3.92Å; Q470-F487 WeakPolarHBondContact CB-O 3.43Å; Q470-F487 PolarHBondContact O-N 3.36Å; Q470-F487 PolarHBondContact OE1-O 2.91Å; I485-F487 HydrophobicContact CB-CE2 4.21Å; I485-F487 HydrophobicContact CB-CZ 4.29Å; I485-F487 HydrophobicContact CG2-CD2 4.39Å; I485-F487 HydrophobicContact CG2-CE1 3.97Å; I485-F487 HydrophobicContact CG2-CE2 3.61Å; I485-F487 HydrophobicContact CG2-CZ 3.38Å
488	S	93.2	Very high	84.7	Confident	92 Å²	92	80.4 Å²	80.4	64%	0.643	48%	0.479	S	S	*	.			trans	-145.7	152.5	174.8	57.9	0	0	0	0	110.5
489	G	88.3	Confident	82.5	Confident	22 Å²	22	78.4 Å²	78.4	23%	0.227	49%	0.492	C	S	.	.			trans	-112.7	164.7	168.1	0	0	0	0	0	110.2	G491	G489-G491 PolarHBondContact O-N 3.36Å
490	F	86.8	Confident	80.3	Confident	201 Å²	201	84.3 Å²	84.3	88%	0.882	52%	0.519	S	S	*	.			trans	-67.9	132.2	171.1	62.1	-89	0	0	0	109.6
491	G	82.9	Confident	78.1	Confident	43 Å²	43	86.7 Å²	86.7	44%	0.443	55%	0.552	S	S	.	*			trans	-87.8	-172.6	172	0	0	0	0	0	111.8	G489 E493	G489-G491 PolarHBondContact O-N 3.36Å; G491-E493 PolarHBondContact O-N 3.05Å
492	A	79.8	Confident	75.8	Confident	109 Å²	109	93.2 Å²	93.2	90%	0.901	58%	0.581	S	S	*	*			trans	-73.6	76.6	164.4	0	0	0	0	0	109.1
493	E	72.8	Confident	73.3	Confident	147 Å²	147	95.5 Å²	95.5	69%	0.687	61%	0.608	S	S	*	*			trans	-92.9	106.8	170.5	-72.9	-175.3	152	0	0	108.5	G491 D495	G491-E493 PolarHBondContact O-N 3.05Å; E493-D495 PolarHBondContact O-N 3.25Å
494	D	68.3	Low	70.8	Confident	119 Å²	119	103.6 Å²	103.6	64%	0.636	66%	0.664	S	S	*	*			trans	-85.7	81.3	170.6	-76	-33	0	0	0	109.2	D496 L497	D494-D496 PolarHBondContact O-N 3.46Å; D494-L497 HydrophobicContact CB-CD1 3.57Å; D494-L497 HydrophobicContact CB-CG 3.82Å; D494-L497 PolarHBondContact O-N 3.32Å
495	D	67.1	Low	69.4	Low	141 Å²	141	106.2 Å²	106.2	75%	0.754	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.8	-13.4	176.7	-75.5	-30.6	0	0	0	113.4	E493	E493-D495 PolarHBondContact O-N 3.25Å
496	D	62.8	Low	67.9	Low	154 Å²	154	110.2 Å²	110.2	82%	0.824	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.8	-5.4	-176.9	-72.8	-34.9	0	0	0	114.8	D494 G498	D494-D496 PolarHBondContact O-N 3.46Å; D496-G498 PolarHBondContact O-N 2.8Å
497	L	60.3	Low	66.3	Low	137 Å²	137	111.8 Å²	111.8	72%	0.717	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	-2.1	-179.7	-71.8	173	0	0	0	114.3	D494	D494-L497 HydrophobicContact CB-CD1 3.57Å; D494-L497 HydrophobicContact CB-CG 3.82Å; D494-L497 PolarHBondContact O-N 3.32Å
498	G	50.7	Low	64.6	Low	82 Å²	82	117.3 Å²	117.3	85%	0.845	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	-1.8	175.2	0	0	0	0	0	115.9	D496	D496-G498 PolarHBondContact O-N 2.8Å
499	G	49.4	Very low	62.8	Low	64 Å²	64	118.9 Å²	118.9	66%	0.66	76%	0.761	S	S	*	*	S	Bend	trans	-107.2	-14.3	-170	0	0	0	0	0	117.2
500	L	49.5	Very low	61.1	Low	158 Å²	158	125.3 Å²	125.3	83%	0.827	80%	0.796	S	S	*	*			trans	-111.7	85	179.9	-72.9	167.3	0	0	0	109.4	L502	L500-L502 PolarHBondContact O-N 3.38Å
501	G	49	Very low	59.3	Low	80 Å²	80	119.9 Å²	119.9	83%	0.825	79%	0.79	S	S	*	*			trans	-58.2	89.4	165.6	0	0	0	0	0	110.7
502	L	48.2	Very low	57.4	Low	166 Å²	166	125.8 Å²	125.8	87%	0.869	82%	0.817	S	S	*	*			trans	-137.6	97.3	156.7	-73.6	175.3	0	0	0	106.7	L500	L500-L502 PolarHBondContact O-N 3.38Å
503	G	45	Very low	55.6	Low	69 Å²	69	127.3 Å²	127.3	71%	0.711	81%	0.81	S	S	*	*			trans	-131.3	172.4	150.2	0	0	0	0	0	108.4
504	P	43.8	Very low	54	Low	210 Å²	210	125.5 Å²	125.5	100%	1.364	82%	0.821	S	S	*	*			cis	-79.9	0	-40.3	5.4	15.3	0	0	0	112.6

Retrieved 504 of 504 residues in 140.2 ms (Link to these results)

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