A0A087YAM7_POEFO Loading...

FAD synthase

Catalyzes the adenylation of flavin mononucleotide (FMN) to form flavin adenine dinucleotide (FAD) coenzyme.

AlphaFold DB , UniProt , Accession A0A087YAM7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 527 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.3	Very low	29.7	Very low	240 Å²	240	156.8 Å²	156.8	100%	1.182	83%	0.831	S	S	*	*				0	105.7	0	-86.4	175.4	167.1	0	0	105.7
2	L	24.5	Very low	30.1	Very low	156 Å²	156	149.7 Å²	149.7	82%	0.817	81%	0.81	S	S	*	*				-148	135.8	54.3	-92.7	136.5	0	0	0	110
3	I	23.4	Very low	30.7	Very low	157 Å²	157	143.9 Å²	143.9	81%	0.805	78%	0.783	S	S	*	*			trans	-91.9	126.1	173.6	-67.7	164	0	0	0	106.4
4	F	25.7	Very low	31.2	Very low	193 Å²	193	137.4 Å²	137.4	85%	0.846	76%	0.758	S	S	*	*			trans	-112.5	109	159	-92	-79.7	0	0	0	109.1
5	S	24.9	Very low	31.6	Very low	96 Å²	96	141.5 Å²	141.5	67%	0.671	76%	0.757	S	S	*	*			trans	-80	127	174.3	53	0	0	0	0	110.8
6	L	26.2	Very low	32.1	Very low	173 Å²	173	139.2 Å²	139.2	91%	0.906	75%	0.75	S	S	*	*			trans	-103.7	112.6	163.6	-83.2	161.1	0	0	0	109.2	G8	L6-G8 PolarHBondContact O-N 3.29Å
7	P	29.1	Very low	32.3	Very low	130 Å²	130	142.7 Å²	142.7	84%	0.844	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	100.8	-179.3	31.8	-28.5	0	0	0	110.1
8	G	34.5	Very low	32.4	Very low	68 Å²	68	145.8 Å²	145.8	70%	0.701	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-163.9	-25.6	175.9	0	0	0	0	0	116.3	L6	L6-G8 PolarHBondContact O-N 3.29Å
9	L	33.2	Very low	32.5	Very low	143 Å²	143	143.9 Å²	143.9	75%	0.749	74%	0.74	S	S	*	*	S	Bend	trans	-92	-5	-175.2	-95.3	89.2	0	0	0	116	R11	L9-R11 PolarHBondContact O-N 2.78Å
10	N	37.7	Very low	32.6	Very low	141 Å²	141	139.5 Å²	139.5	75%	0.754	73%	0.726	S	S	*	*	H	α-helix	trans	-82.8	-8.4	-166.1	-103.1	-14.1	0	0	0	116.5	A14	N10-A14 WeakPolarHBondContact O-CB 3.49Å
11	R	35.2	Very low	32.6	Very low	228 Å²	228	135.7 Å²	135.7	86%	0.86	72%	0.715	S	S	*	*	H	α-helix	trans	-92.5	-28.9	179.7	-76.7	-174.2	176.8	-174.3	0.5	114.4	L9 R15	L9-R11 PolarHBondContact O-N 2.78Å; R11-R15 PolarHBondContact O-N 3.42Å
12	A	34.4	Very low	32.5	Very low	71 Å²	71	131.2 Å²	131.2	59%	0.587	69%	0.691	S	S	*	*	H	α-helix	trans	-76.8	-43.7	177.2	0	0	0	0	0	111.8	A14 R15 V16	A12-A14 VanDerWaalsContact C-N 3.34Å; A12-A14 PolarHBondContact O-N 3.31Å; A12-R15 PolarHBondContact O-N 3.33Å; A12-V16 PolarHBondContact O-N 3.24Å
13	V	38.4	Very low	32.9	Very low	75 Å²	75	129.4 Å²	129.4	46%	0.455	68%	0.682	S	S	.	*	H	α-helix	trans	-67.8	-33.7	-180	-177.5	0	0	0	0	112	R17	V13-R17 PolarHBondContact O-N 2.98Å
14	A	37.8	Very low	33.3	Very low	52 Å²	52	126.2 Å²	126.2	43%	0.43	67%	0.674	S	S	.	*	H	α-helix	trans	-70	-28.6	174.7	0	0	0	0	0	113.4	N10 A12 R18	N10-A14 WeakPolarHBondContact O-CB 3.49Å; A12-A14 VanDerWaalsContact C-N 3.34Å; A12-A14 PolarHBondContact O-N 3.31Å; A14-R18 PolarHBondContact O-N 3.08Å
15	R	37	Very low	33.4	Very low	200 Å²	200	126 Å²	126	76%	0.755	67%	0.672	S	S	*	*	H	α-helix	trans	-74.6	-39.2	176.1	-113.6	179	176.6	178.2	-1.5	112	R11 A12 R18 L19	R11-R15 PolarHBondContact O-N 3.42Å; A12-R15 PolarHBondContact O-N 3.33Å; R15-R18 PolarHBondContact O-N 3.07Å; R15-L19 PolarHBondContact O-N 2.82Å
16	V	39.2	Very low	33.6	Very low	104 Å²	104	125.1 Å²	125.1	63%	0.63	67%	0.671	S	S	*	*	H	α-helix	trans	-68.1	-39.1	177	178	0	0	0	0	111.4	A12 L19 A20	A12-V16 PolarHBondContact O-N 3.24Å; V16-L19 PolarHBondContact O-N 3.34Å; V16-A20 PolarHBondContact O-N 2.99Å; V16-A20 VanDerWaalsContact O-N 3.13Å
17	R	36.2	Very low	33.8	Very low	199 Å²	199	122.7 Å²	122.7	75%	0.751	66%	0.663	S	S	*	*	H	α-helix	trans	-68.8	-31.9	176.3	-82.7	-176.7	166.5	-179.1	-3.5	114.2	V13 A21	V13-R17 PolarHBondContact O-N 2.98Å; R17-A21 PolarHBondContact O-N 3.44Å
18	R	33.3	Very low	33.8	Very low	199 Å²	199	124.8 Å²	124.8	75%	0.751	66%	0.664	S	S	*	*	H	α-helix	trans	-74.8	-33.9	175.5	-81.2	-173.9	-172.1	-177.2	2.8	113.2	A14 R15 Q22	A14-R18 PolarHBondContact O-N 3.08Å; R15-R18 PolarHBondContact O-N 3.07Å; R18-Q22 PolarHBondContact O-N 3.33Å
19	L	35.5	Very low	33.6	Very low	109 Å²	109	126.3 Å²	126.3	57%	0.571	66%	0.664	S	S	*	*	H	α-helix	trans	-69	-40.8	174.3	-106.4	122.7	0	0	0	112.1	R15 V16 A21 Q22 L23	R15-L19 PolarHBondContact O-N 2.82Å; V16-L19 PolarHBondContact O-N 3.34Å; L19-A21 PolarHBondContact O-N 2.94Å; L19-Q22 PolarHBondContact O-N 3.25Å; L19-L23 PolarHBondContact O-N 3.19Å; L19-L23 VanDerWaalsContact O-N 3.11Å
20	A	33.8	Very low	33.2	Very low	55 Å²	55	125.1 Å²	125.1	46%	0.455	66%	0.663	S	S	.	*	H	α-helix	trans	-62.4	-41.7	175.7	0	0	0	0	0	112.2	V16 Q22 L23 S24	V16-A20 PolarHBondContact O-N 2.99Å; V16-A20 VanDerWaalsContact O-N 3.13Å; A20-Q22 VanDerWaalsContact C-N 3.35Å; A20-Q22 PolarHBondContact O-N 3.43Å; A20-L23 PolarHBondContact O-N 2.98Å; A20-S24 PolarHBondContact O-N 3.16Å; A20-S24 PolarHBondContact O-OG 3.19Å
21	A	32.2	Very low	32.6	Very low	60 Å²	60	126 Å²	126	50%	0.496	67%	0.668	S	S	.	*	H	α-helix	trans	-72.1	-23.2	179.1	0	0	0	0	0	114.3	R17 L19	R17-A21 PolarHBondContact O-N 3.44Å; L19-A21 PolarHBondContact O-N 2.94Å
22	Q	30.7	Very low	32.2	Very low	146 Å²	146	120.3 Å²	120.3	68%	0.682	66%	0.663	S	S	*	*	H	α-helix	trans	-82.6	-29.8	174.1	-78.2	-177.7	-39.2	0	0	112.6	R18 L19 A20	R18-Q22 PolarHBondContact O-N 3.33Å; L19-Q22 PolarHBondContact O-N 3.25Å; A20-Q22 VanDerWaalsContact C-N 3.35Å; A20-Q22 PolarHBondContact O-N 3.43Å
23	L	33.3	Very low	31.9	Very low	118 Å²	118	126.5 Å²	126.5	62%	0.618	68%	0.679	S	S	*	*	H	α-helix	trans	-73.2	-28.7	174.3	-75.9	162.1	0	0	0	112.8	L19 A20 T27	L19-L23 PolarHBondContact O-N 3.19Å; L19-L23 VanDerWaalsContact O-N 3.11Å; A20-L23 PolarHBondContact O-N 2.98Å; L23-T27 PolarHBondContact O-OG1 3.26Å
24	S	30.7	Very low	31.2	Very low	91 Å²	91	126.4 Å²	126.4	64%	0.636	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	-19.2	176.2	-44.1	0	0	0	0	114.3	A20	A20-S24 PolarHBondContact O-N 3.16Å; A20-S24 PolarHBondContact O-OG 3.19Å
25	K	29	Very low	30.9	Very low	187 Å²	187	129.2 Å²	129.2	81%	0.813	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.5	-12.1	179.6	-88.6	-175.5	174.2	-177.2	0	114.2
26	A	28.1	Very low	30.4	Very low	79 Å²	79	124.6 Å²	124.6	65%	0.653	72%	0.716	S	S	*	*	S	Bend	trans	-88.1	-7.4	179.5	0	0	0	0	0	113.9
27	T	29.7	Very low	29.8	Very low	121 Å²	121	124.8 Å²	124.8	74%	0.742	72%	0.721	S	S	*	*	S	Bend	trans	-100	8.5	-178.1	-19.6	0	0	0	0	114.1	L23	L23-T27 PolarHBondContact O-OG1 3.26Å
28	M	31	Very low	29.8	Very low	175 Å²	175	121 Å²	121	86%	0.862	73%	0.725	S	S	*	*	S	Bend	trans	-128	70.2	174.3	-70.9	-163	87.5	0	0	111.2
29	S	29	Very low	29.5	Very low	100 Å²	100	117 Å²	117	70%	0.699	73%	0.728	S	S	*	*			trans	-172.1	150.9	151.8	-170.9	0	0	0	0	108
30	T	24.5	Very low	29.3	Very low	117 Å²	117	116.7 Å²	116.7	72%	0.718	74%	0.741	S	S	*	*			trans	76.8	84.5	176.4	76.4	0	0	0	0	116.6
31	N	25.9	Very low	29.4	Very low	161 Å²	161	119.5 Å²	119.5	86%	0.861	75%	0.753	S	S	*	*				178.4	97.5	99.4	-93.1	-8.6	0	0	0	111.2
32	S	27	Very low	29.7	Very low	108 Å²	108	121.5 Å²	121.5	76%	0.755	76%	0.763	S	S	*	*			trans	-90.8	136.1	155.2	55	0	0	0	0	109
33	Q	26.7	Very low	30.4	Very low	200 Å²	200	119.6 Å²	119.6	94%	0.935	77%	0.772	S	S	*	*			trans	89.6	123	167	-54.7	-168.9	-2.1	0	0	117.8
34	G	24.5	Very low	31.8	Very low	74 Å²	74	120.1 Å²	120.1	76%	0.763	78%	0.775	S	S	*	*			trans	157.9	63.3	172.8	0	0	0	0	0	111.8	S36	G34-S36 PolarHBondContact O-N 3.45Å
35	A	31.9	Very low	34	Very low	111 Å²	111	117.6 Å²	117.6	92%	0.917	76%	0.76	S	S	*	*			trans	-71.6	118.9	167.1	0	0	0	0	0	109.1
36	S	25.4	Very low	36.9	Very low	103 Å²	103	109.5 Å²	109.5	72%	0.72	73%	0.726	S	S	*	*			trans	-149.8	104.8	161.3	66	0	0	0	0	110.9	G34	G34-S36 PolarHBondContact O-N 3.45Å
37	S	26.7	Very low	40.1	Very low	107 Å²	107	106.7 Å²	106.7	75%	0.748	70%	0.701	S	S	*	*			trans	22.6	104.9	149.1	58.3	0	0	0	0	118.9
38	S	36.9	Very low	43.3	Very low	120 Å²	120	100.9 Å²	100.9	84%	0.839	67%	0.666	S	S	*	*			trans	-3.1	123.4	139.4	58.8	0	0	0	0	118.2
39	S	27.8	Very low	46.5	Very low	115 Å²	115	92.6 Å²	92.6	80%	0.804	63%	0.625	S	S	*	*			trans	-139.8	105.1	150.4	62.5	0	0	0	0	110.5
40	A	29.6	Very low	49.9	Very low	103 Å²	103	87.8 Å²	87.8	85%	0.851	59%	0.591	S	S	*	*			trans	39.6	80.9	155.4	0	0	0	0	0	118.4
41	V	37.8	Very low	53.4	Low	114 Å²	114	82.2 Å²	82.2	69%	0.691	56%	0.557	S	S	*	*			trans	-69.4	131.6	146.8	-174.2	0	0	0	0	106.5	A43 D44	V41-A43 PolarHBondContact O-N 2.97Å; V41-D44 WeakPolarHBondContact CG1-OD1 3.19Å
42	S	37.5	Very low	56.9	Low	102 Å²	102	74.8 Å²	74.8	71%	0.713	52%	0.517	S	S	*	.			trans	-55.4	126.4	168.3	52.2	0	0	0	0	108.4	D44	S42-D44 WeakPolarHBondContact O-CA 3.45Å; S42-D44 PolarHBondContact O-N 2.64Å; S42-D44 VanDerWaalsContact O-N 3.1Å
43	A	44.7	Very low	60.3	Low	105 Å²	105	69.8 Å²	69.8	87%	0.868	48%	0.482	S	S	*	.	S	Bend	trans	-41.4	118.5	-180	0	0	0	0	0	111.3	V41	V41-A43 PolarHBondContact O-N 2.97Å
44	D	62.5	Low	63.6	Low	130 Å²	130	60.3 Å²	60.3	70%	0.695	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-59.3	136	-146.8	-73.5	-53.5	0	0	0	115.8	V41 S42	V41-D44 WeakPolarHBondContact CG1-OD1 3.19Å; S42-D44 WeakPolarHBondContact O-CA 3.45Å; S42-D44 PolarHBondContact O-N 2.64Å; S42-D44 VanDerWaalsContact O-N 3.1Å
45	A	77.5	Confident	67	Low	37 Å²	37	59.5 Å²	59.5	31%	0.306	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-53.5	137.4	162	0	0	0	0	0	109.8	T47 T217	A45-T47 PolarHBondContact O-N 3.45Å; A45-T217 HydrophobicContact CB-CG2 4.07Å; A45-T217 VanDerWaalsContact CB-OG1 3.27Å; A45-T217 WeakPolarHBondContact CB-OG1 3.49Å
46	P	90.6	Very high	70	Confident	17 Å²	17	58 Å²	58	11%	0.11	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-61.2	137.1	-175.6	20.7	-28.2	0	0	0	111.2	V79 S80 T106 S214	P46-V79 HydrophobicContact CB-CG2 4.19Å; P46-V79 HydrophobicContact CG-CG2 3.98Å; P46-V79 WeakPolarHBondContact O-CA 3.25Å; P46-S80 PolarHBondContact O-N 2.87Å; P46-T106 HydrophobicContact CB-CG2 4.13Å; P46-S214 WeakPolarHBondContact CD-OG 3.38Å; P46-S214 VanDerWaalsContact CG-CB 3.47Å; P46-S214 WeakPolarHBondContact CG-OG 3.44Å
47	T	94.9	Very high	73.4	Confident	20 Å²	20	54.5 Å²	54.5	12%	0.123	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	154.2	-179	61.4	0	0	0	0	110.9	A45 S80 Q82 Y105 T106 H107	A45-T47 PolarHBondContact O-N 3.45Å; T47-S80 CarbonylContact C-O 3.56Å; T47-S80 VanDerWaalsContact CA-O 3.31Å; T47-S80 WeakPolarHBondContact CA-O 3.39Å; T47-Q82 HydrophobicContact CG2-CG 4.38Å; T47-Q82 VanDerWaalsContact CG2-NE2 3.27Å; T47-Y105 WeakPolarHBondContact OG1-CA 3.35Å; T47-T106 PolarHBondContact N-OG1 3.26Å; T47-T106 WeakPolarHBondContact O-CA 3.45Å; T47-T106 WeakPolarHBondContact O-CB 3.49Å; T47-T106 PolarHBondContact O-N 3.45Å; T47-T106 VanDerWaalsContact O-N 3.15Å; T47-T106 PolarHBondContact OG1-N 2.93Å; T47-T106 VanDerWaalsContact OG1-N 3.14Å; T47-T106 PolarHBondContact OG1-OG1 3.49Å; T47-H107 PolarHBondContact O-N 3.17Å
48	A	97.5	Very high	76.7	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	147	174.8	0	0	0	0	0	112.8	L74 V79 S80 V81 Q82 H107	A48-L74 HydrophobicContact CB-CD1 3.71Å; A48-V79 HydrophobicContact CB-CG1 3.65Å; A48-S80 PolarHBondContact N-O 2.82Å; A48-V81 HydrophobicContact CB-CG2 4.22Å; A48-V81 WeakPolarHBondContact O-CA 3.45Å; A48-Q82 PolarHBondContact O-N 3.24Å; A48-H107 CarbonylContact C-O 3.58Å; A48-H107 VanDerWaalsContact CA-O 3.22Å; A48-H107 WeakPolarHBondContact CA-O 3.49Å; A48-H107 HydrophobicContact CB-CB 4.33Å
49	A	98.6	Very high	79.5	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	145.4	159.1	0	0	0	0	0	110.4	R83 L101 Y105 H107 L108 I109	A49-R83 CarbonylContact C-O 3.59Å; A49-R83 VanDerWaalsContact CA-O 3.27Å; A49-R83 WeakPolarHBondContact CA-O 3.45Å; A49-R83 HydrophobicContact CB-CB 4.26Å; A49-L101 HydrophobicContact CB-CB 4.24Å; A49-L101 HydrophobicContact CB-CD1 4.42Å; A49-L101 HydrophobicContact CB-CD2 4.16Å; A49-Y105 HydrophobicContact CB-CD2 3.33Å; A49-Y105 HydrophobicContact CB-CE2 3.68Å; A49-Y105 HydrophobicContact CB-CG 3.84Å; A49-H107 PolarHBondContact N-O 2.96Å; A49-L108 HydrophobicContact CB-CD1 4.02Å; A49-I109 PolarHBondContact O-N 3.14Å
50	I	98.8	Very high	82.7	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	130.1	174.7	-59.1	167.6	0	0	0	108.1	I52 L70 V81 R83 I84 T85 I109	I50-I52 HydrophobicContact CG2-CD1 3.64Å; I50-I52 HydrophobicContact CG2-CG1 4.17Å; I50-L70 HydrophobicContact CD1-CB 3.54Å; I50-L70 HydrophobicContact CD1-CD1 4.27Å; I50-L70 HydrophobicContact CG1-CB 4.32Å; I50-L70 HydrophobicContact CG1-CD1 4.34Å; I50-L70 HydrophobicContact CG2-CD1 3.86Å; I50-V81 HydrophobicContact CD1-CG1 3.86Å; I50-V81 HydrophobicContact CD1-CG2 4.16Å; I50-V81 HydrophobicContact CG1-CG1 4.23Å; I50-R83 PolarHBondContact N-O 3.38Å; I50-I84 HydrophobicContact CB-CG1 4.16Å; I50-I84 HydrophobicContact CB-CG2 4.4Å; I50-I84 HydrophobicContact CD1-CG1 4.14Å; I50-I84 CarbonylContact O-C 3.45Å; I50-I84 WeakPolarHBondContact O-CA 3.36Å; I50-T85 PolarHBondContact O-N 3.4Å; I50-I109 CarbonylContact C-O 3.49Å; I50-I109 VanDerWaalsContact CA-O 3.32Å; I50-I109 WeakPolarHBondContact CA-O 3.25Å
51	L	98.7	Very high	85.8	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	104.3	177.2	-176.4	63.7	0	0	0	109.6	I53 T85 I87 E97 V98 L101 L108 I109 T110 S111	L51-I53 HydrophobicContact CD2-CD1 4.35Å; L51-I53 HydrophobicContact CD2-CG1 4.44Å; L51-I53 HydrophobicContact CG-CD1 4.47Å; L51-I53 HydrophobicContact CG-CG1 4.1Å; L51-T85 CarbonylContact C-O 3.15Å; L51-T85 WeakPolarHBondContact CA-O 3.39Å; L51-T85 HydrophobicContact CD1-CG2 4.21Å; L51-I87 HydrophobicContact CD1-CD1 3.71Å; L51-I87 HydrophobicContact CD1-CG1 3.77Å; L51-I87 HydrophobicContact CD1-CG2 4.15Å; L51-I87 HydrophobicContact CD2-CD1 4.09Å; L51-I87 HydrophobicContact CG-CD1 4.11Å; L51-I87 HydrophobicContact CG-CG1 4.33Å; L51-E97 HydrophobicContact CD1-CB 4.24Å; L51-E97 HydrophobicContact CD2-CB 4.34Å; L51-V98 HydrophobicContact CD2-CG2 3.99Å; L51-L101 HydrophobicContact CB-CD1 4.31Å; L51-L101 HydrophobicContact CD1-CD1 4.14Å; L51-L108 HydrophobicContact CB-CD1 4.02Å; L51-I109 PolarHBondContact N-O 2.94Å; L51-T110 HydrophobicContact CB-CG2 4.21Å; L51-T110 HydrophobicContact CD2-CG2 4.24Å; L51-T110 CarbonylContact O-C 3.54Å; L51-T110 WeakPolarHBondContact O-CA 3.43Å; L51-S111 PolarHBondContact O-N 3.42Å
52	I	98.6	Very high	88.4	Confident	5 Å²	5	51.4 Å²	51.4	3%	0.026	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	125.4	175	-52.2	-57.5	0	0	0	108.2	I50 I57 N66 T85 V86 I87	I50-I52 HydrophobicContact CG2-CD1 3.64Å; I50-I52 HydrophobicContact CG2-CG1 4.17Å; I52-I57 HydrophobicContact CG2-CG1 4.01Å; I52-N66 HydrophobicContact CD1-CB 4.23Å; I52-T85 PolarHBondContact N-O 3.01Å; I52-V86 HydrophobicContact CB-CB 4.44Å; I52-V86 HydrophobicContact CB-CG1 4.24Å; I52-V86 HydrophobicContact CB-CG2 4.12Å; I52-V86 HydrophobicContact CG1-CG2 4.43Å; I52-V86 HydrophobicContact CG2-CG1 4.28Å; I52-V86 CarbonylContact O-C 3.59Å; I52-V86 WeakPolarHBondContact O-CA 3.28Å; I52-I87 PolarHBondContact O-N 2.92Å
53	I	98.4	Very high	91.1	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.015	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	111.6	-177.4	-55.1	170.5	0	0	0	106.4	L51 I87 D89 I94 S111 G112 T122	L51-I53 HydrophobicContact CD2-CD1 4.35Å; L51-I53 HydrophobicContact CD2-CG1 4.44Å; L51-I53 HydrophobicContact CG-CD1 4.47Å; L51-I53 HydrophobicContact CG-CG1 4.1Å; I53-I87 HydrophobicContact CG1-CD1 4.18Å; I53-I87 HydrophobicContact CG1-CG1 4.03Å; I53-D89 WeakPolarHBondContact CG2-OD1 3.34Å; I53-I94 HydrophobicContact CD1-CD1 4.47Å; I53-I94 HydrophobicContact CD1-CG1 4.3Å; I53-I94 HydrophobicContact CD1-CG2 3.86Å; I53-I94 HydrophobicContact CG1-CG1 4.49Å; I53-I94 HydrophobicContact CG2-CD1 3.66Å; I53-I94 HydrophobicContact CG2-CG1 4Å; I53-S111 PolarHBondContact N-O 3.23Å; I53-G112 WeakPolarHBondContact O-CA 3.49Å; I53-T122 HydrophobicContact CD1-CG2 3.73Å; I53-T122 WeakPolarHBondContact CD1-OG1 3.4Å
54	G	96.6	Very high	93.6	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.01	27%	0.273	C	S	.	.			trans	170.2	113	-175.9	0	0	0	0	0	113	E56 I57 L58 I87 D89	G54-E56 WeakPolarHBondContact CA-OE2 3.44Å; G54-E56 PolarHBondContact O-N 3.41Å; G54-I57 WeakPolarHBondContact O-CB 3.37Å; G54-I57 PolarHBondContact O-N 3.02Å; G54-I57 VanDerWaalsContact O-N 3.16Å; G54-L58 PolarHBondContact O-N 3.02Å; G54-I87 PolarHBondContact N-O 3.17Å; G54-I87 VanDerWaalsContact N-O 3.14Å; G54-D89 WeakPolarHBondContact CA-OD2 3.13Å
55	D	96.3	Very high	95.3	Very high	56 Å²	56	45.7 Å²	45.7	30%	0.299	26%	0.259	S	S	.	.	H	α-helix	trans	-56.2	-35.4	175.6	-115	13.6	0	0	0	113.3	I57 L58 K59 P88 D89	D55-I57 VanDerWaalsContact C-N 3.28Å; D55-I57 PolarHBondContact O-N 3.41Å; D55-L58 PolarHBondContact O-N 3.37Å; D55-K59 WeakPolarHBondContact O-CB 3.49Å; D55-K59 WeakPolarHBondContact O-CD 3.5Å; D55-K59 WeakPolarHBondContact O-CG 3.44Å; D55-K59 PolarHBondContact O-N 2.94Å; D55-K59 IonicContact OD2-NZ 3.29Å; D55-K59 PolarHBondContact OD2-NZ 3.05Å; D55-P88 VanDerWaalsContact OD1-CB 3.29Å; D55-P88 WeakPolarHBondContact OD1-CB 3.38Å; D55-D89 PolarHBondContact N-OD2 3.1Å
56	E	94.9	Very high	96.3	Very high	79 Å²	79	44.3 Å²	44.3	37%	0.369	25%	0.247	S	C	.	.	H	α-helix	trans	-66.4	-28.9	178.8	76	-70.5	172.2	0	0	113.1	G54 G60 H61 T62	G54-E56 WeakPolarHBondContact CA-OE2 3.44Å; G54-E56 PolarHBondContact O-N 3.41Å; E56-G60 PolarHBondContact O-N 3.23Å; E56-H61 HydrophobicContact CB-CB 4.42Å; E56-H61 PolarHBondContact O-N 3.29Å; E56-T62 PolarHBondContact O-N 3.35Å
57	I	96.3	Very high	96.6	Very high	31 Å²	31	44 Å²	44	16%	0.159	25%	0.245	C	C	.	.	H	α-helix	trans	-71.4	-45.8	174	-52.2	-64	0	0	0	109.2	I52 G54 D55 K59 G60 T62 D64 V86	I52-I57 HydrophobicContact CG2-CG1 4.01Å; G54-I57 WeakPolarHBondContact O-CB 3.37Å; G54-I57 PolarHBondContact O-N 3.02Å; G54-I57 VanDerWaalsContact O-N 3.16Å; D55-I57 VanDerWaalsContact C-N 3.28Å; D55-I57 PolarHBondContact O-N 3.41Å; I57-K59 VanDerWaalsContact C-N 3.29Å; I57-K59 PolarHBondContact O-N 2.74Å; I57-G60 PolarHBondContact O-N 3.44Å; I57-T62 HydrophobicContact CD1-CG2 3.8Å; I57-D64 HydrophobicContact CD1-CB 4.33Å; I57-D64 HydrophobicContact CG2-CB 3.87Å; I57-V86 HydrophobicContact CB-CG1 3.92Å; I57-V86 HydrophobicContact CG2-CG1 3.6Å; I57-V86 HydrophobicContact CG2-CG2 4.49Å
58	L	96.7	Very high	96.7	Very high	91 Å²	91	46.1 Å²	46.1	48%	0.476	26%	0.258	S	S	.	.	H	α-helix	trans	-65.1	-33.2	177.3	-67.2	179.7	0	0	0	112.8	G54 D55 G60 V86 P88	G54-L58 PolarHBondContact O-N 3.02Å; D55-L58 PolarHBondContact O-N 3.37Å; L58-G60 PolarHBondContact O-N 3.03Å; L58-V86 HydrophobicContact CD2-CB 4.07Å; L58-V86 HydrophobicContact CD2-CG1 3.66Å; L58-V86 HydrophobicContact CG-CG1 4.02Å; L58-P88 HydrophobicContact CD1-CB 3.9Å; L58-P88 HydrophobicContact CD1-CG 4.33Å
59	K	96.4	Very high	96.7	Very high	123 Å²	123	47.8 Å²	47.8	54%	0.535	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-10.7	174.3	-68.2	161.9	-165.2	163.1	0	112.8	D55 I57 H61	D55-K59 WeakPolarHBondContact O-CB 3.49Å; D55-K59 WeakPolarHBondContact O-CD 3.5Å; D55-K59 WeakPolarHBondContact O-CG 3.44Å; D55-K59 PolarHBondContact O-N 2.94Å; D55-K59 IonicContact OD2-NZ 3.29Å; D55-K59 PolarHBondContact OD2-NZ 3.05Å; I57-K59 VanDerWaalsContact C-N 3.29Å; I57-K59 PolarHBondContact O-N 2.74Å; K59-H61 PolarHBondContact O-N 2.94Å
60	G	94.3	Very high	96.7	Very high	57 Å²	57	47.8 Å²	47.8	59%	0.588	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.6	16.7	-177.7	0	0	0	0	0	114.1	E56 I57 L58 T62	E56-G60 PolarHBondContact O-N 3.23Å; I57-G60 PolarHBondContact O-N 3.44Å; L58-G60 PolarHBondContact O-N 3.03Å; G60-T62 VanDerWaalsContact C-N 3.32Å
61	H	93.9	Very high	96.6	Very high	155 Å²	155	49.1 Å²	49.1	72%	0.718	28%	0.277	S	S	*	.	S	Bend	trans	-72.4	-32.3	174.9	-68.8	-179.9	0	0	0	111.3	E56 K59	E56-H61 HydrophobicContact CB-CB 4.42Å; E56-H61 PolarHBondContact O-N 3.29Å; K59-H61 PolarHBondContact O-N 2.94Å
62	T	93.5	Very high	96.5	Very high	68 Å²	68	57.1 Å²	57.1	42%	0.417	31%	0.307	S	S	.	.	S	Bend	trans	-121.2	132	177.6	-58.5	0	0	0	0	108.6	E56 I57 G60	E56-T62 PolarHBondContact O-N 3.35Å; I57-T62 HydrophobicContact CD1-CG2 3.8Å; G60-T62 VanDerWaalsContact C-N 3.32Å
63	V	94.6	Very high	96.3	Very high	120 Å²	120	56.9 Å²	56.9	73%	0.727	31%	0.305	S	S	*	.			trans	-79.6	124.9	172.3	178.7	0	0	0	0	108.2	T65	V63-T65 PolarHBondContact O-N 3.16Å
64	D	96.7	Very high	96.2	Very high	31 Å²	31	56.7 Å²	56.7	17%	0.166	31%	0.305	C	S	.	.			trans	-67	103.6	174.4	171.4	23.4	0	0	0	111.1	I57 N66 S67	I57-D64 HydrophobicContact CD1-CB 4.33Å; I57-D64 HydrophobicContact CG2-CB 3.87Å; D64-N66 PolarHBondContact OD1-N 3.38Å; D64-S67 VanDerWaalsContact CG-OG 3.26Å; D64-S67 PolarHBondContact OD1-N 3.28Å; D64-S67 PolarHBondContact OD1-OG 3.36Å; D64-S67 WeakPolarHBondContact OD2-CB 3.39Å; D64-S67 PolarHBondContact OD2-OG 3.48Å
65	T	97.4	Very high	96	Very high	65 Å²	65	60.5 Å²	60.5	40%	0.399	32%	0.319	S	S	.	.			trans	-94.4	-18.4	171	53.6	0	0	0	0	112.6	V63 T68 F69 P198	V63-T65 PolarHBondContact O-N 3.16Å; T65-T68 PolarHBondContact O-N 2.91Å; T65-F69 PolarHBondContact O-N 3.29Å; T65-P198 WeakPolarHBondContact OG1-CG 3.36Å
66	N	97.8	Very high	95.8	Very high	8 Å²	8	65.4 Å²	65.4	4%	0.043	33%	0.333	C	S	.	.	H	α-helix	trans	-69.2	-45	-172.5	-70.3	-3.2	0	0	0	111.1	I52 D64 T68 F69 L70 S111 G196 P198 M201	I52-N66 HydrophobicContact CD1-CB 4.23Å; D64-N66 PolarHBondContact OD1-N 3.38Å; N66-T68 VanDerWaalsContact C-N 3.28Å; N66-T68 PolarHBondContact O-N 3.49Å; N66-F69 PolarHBondContact O-N 3.44Å; N66-L70 WeakPolarHBondContact O-CB 3.41Å; N66-L70 WeakPolarHBondContact O-CG 3.09Å; N66-L70 PolarHBondContact O-N 3.14Å; N66-S111 PolarHBondContact ND2-OG 3.19Å; N66-G196 PolarHBondContact ND2-O 3.16Å; N66-P198 VanDerWaalsContact OD1-CA 3.31Å; N66-P198 WeakPolarHBondContact OD1-CA 3.27Å; N66-P198 WeakPolarHBondContact OD1-CB 3.45Å; N66-P198 WeakPolarHBondContact OD1-CG 3.49Å; N66-M201 HydrophobicContact CB-CE 3.64Å; N66-M201 WeakPolarHBondContact OD1-CE 3.47Å
67	S	97.7	Very high	95.8	Very high	12 Å²	12	62.8 Å²	62.8	8%	0.084	32%	0.322	C	S	.	.	H	α-helix	trans	-61.5	-38.1	177.5	66.3	0	0	0	0	112.4	D64 A71	D64-S67 VanDerWaalsContact CG-OG 3.26Å; D64-S67 PolarHBondContact OD1-N 3.28Å; D64-S67 PolarHBondContact OD1-OG 3.36Å; D64-S67 WeakPolarHBondContact OD2-CB 3.39Å; D64-S67 PolarHBondContact OD2-OG 3.48Å; S67-A71 WeakPolarHBondContact O-CB 3.41Å; S67-A71 PolarHBondContact O-N 3.45Å
68	T	97.3	Very high	95.6	Very high	63 Å²	63	61.4 Å²	61.4	39%	0.387	31%	0.314	S	S	.	.	H	α-helix	trans	-65.5	-44	176.6	-64.8	0	0	0	0	111.5	T65 N66 R72	T65-T68 PolarHBondContact O-N 2.91Å; N66-T68 VanDerWaalsContact C-N 3.28Å; N66-T68 PolarHBondContact O-N 3.49Å; T68-R72 WeakPolarHBondContact O-CG 3.49Å; T68-R72 PolarHBondContact O-N 2.92Å
69	F	98.1	Very high	95.4	Very high	35 Å²	35	57 Å²	57	15%	0.154	29%	0.292	C	S	.	.	H	α-helix	trans	-61.3	-52.6	175.1	169.2	-90.2	0	0	0	111.1	T65 N66 A71 R72 A73 M201 E202 F205	T65-F69 PolarHBondContact O-N 3.29Å; N66-F69 PolarHBondContact O-N 3.44Å; F69-A71 PolarHBondContact O-N 2.74Å; F69-R72 PolarHBondContact O-N 2.79Å; F69-A73 HydrophobicContact CE1-CB 4.24Å; F69-A73 HydrophobicContact CZ-CB 4.37Å; F69-A73 WeakPolarHBondContact O-CB 3.38Å; F69-A73 PolarHBondContact O-N 3.3Å; F69-M201 HydrophobicContact CB-CE 4.04Å; F69-M201 HydrophobicContact CD1-CE 3.43Å; F69-M201 VanDerWaalsContact CD1-CE 3.43Å; F69-M201 HydrophobicContact CD1-SD 3.59Å; F69-M201 VanDerWaalsContact CD1-SD 3.59Å; F69-M201 HydrophobicContact CE1-CE 4.16Å; F69-M201 HydrophobicContact CE1-SD 3.82Å; F69-M201 HydrophobicContact CG-CE 3.96Å; F69-E202 HydrophobicContact CB-CG 4.47Å; F69-E202 HydrophobicContact CD1-CG 3.98Å; F69-E202 HydrophobicContact CD2-CB 4.36Å; F69-E202 HydrophobicContact CD2-CG 3.54Å; F69-E202 HydrophobicContact CE1-CB 4.3Å; F69-E202 HydrophobicContact CE1-CG 4.06Å; F69-E202 HydrophobicContact CE2-CB 3.91Å; F69-E202 HydrophobicContact CE2-CG 3.62Å; F69-E202 HydrophobicContact CG-CG 3.73Å; F69-E202 HydrophobicContact CZ-CB 3.88Å; F69-E202 HydrophobicContact CZ-CG 3.88Å; F69-F205 HydrophobicContact CE1-CB 3.85Å; F69-F205 AromaticContact CE1-CD1 3.86Å; F69-F205 HydrophobicContact CE1-CD1 3.86Å; F69-F205 AromaticContact CE1-CG 3.94Å; F69-F205 HydrophobicContact CE1-CG 3.94Å; F69-F205 HydrophobicContact CZ-CB 4.42Å; F69-F205 HydrophobicContact CZ-CD1 4.2Å
70	L	98	Very high	95.3	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-60.7	-43.5	-177.8	-73.3	171.1	0	0	0	111.6	I50 N66 R72 A73 L74 I109 M201 F205	I50-L70 HydrophobicContact CD1-CB 3.54Å; I50-L70 HydrophobicContact CD1-CD1 4.27Å; I50-L70 HydrophobicContact CG1-CB 4.32Å; I50-L70 HydrophobicContact CG1-CD1 4.34Å; I50-L70 HydrophobicContact CG2-CD1 3.86Å; N66-L70 WeakPolarHBondContact O-CB 3.41Å; N66-L70 WeakPolarHBondContact O-CG 3.09Å; N66-L70 PolarHBondContact O-N 3.14Å; L70-R72 VanDerWaalsContact C-N 3.32Å; L70-R72 PolarHBondContact O-N 3.08Å; L70-A73 PolarHBondContact O-N 2.98Å; L70-L74 VanDerWaalsContact O-CB 3.27Å; L70-L74 WeakPolarHBondContact O-CB 3.34Å; L70-L74 WeakPolarHBondContact O-CG 3.14Å; L70-L74 PolarHBondContact O-N 2.97Å; L70-I109 HydrophobicContact CD1-CG2 3.8Å; L70-I109 HydrophobicContact CD2-CD1 4.33Å; L70-I109 HydrophobicContact CD2-CG2 4.11Å; L70-M201 HydrophobicContact CD1-SD 4.29Å; L70-M201 HydrophobicContact CD2-SD 3.72Å; L70-M201 HydrophobicContact CG-CE 4.36Å; L70-M201 HydrophobicContact CG-SD 3.83Å; L70-F205 HydrophobicContact CD2-CD2 3.38Å; L70-F205 HydrophobicContact CD2-CE2 3.68Å; L70-F205 HydrophobicContact CD2-CG 3.99Å
71	A	97	Very high	95.3	Very high	29 Å²	29	52.3 Å²	52.3	24%	0.24	26%	0.264	C	S	.	.	H	α-helix	trans	-60.3	-40.9	177.1	0	0	0	0	0	112.4	S67 F69 R75 V81	S67-A71 WeakPolarHBondContact O-CB 3.41Å; S67-A71 PolarHBondContact O-N 3.45Å; F69-A71 PolarHBondContact O-N 2.74Å; A71-R75 WeakPolarHBondContact O-CB 3.2Å; A71-R75 PolarHBondContact O-N 2.85Å; A71-V81 HydrophobicContact CB-CG2 4.41Å
72	R	95.5	Very high	95.4	Very high	167 Å²	167	50.5 Å²	50.5	63%	0.63	26%	0.255	S	S	*	.	H	α-helix	trans	-69.3	-42.2	175.1	-71.3	172.2	178.4	162.3	1.9	111.8	T68 F69 L70 R76	T68-R72 WeakPolarHBondContact O-CG 3.49Å; T68-R72 PolarHBondContact O-N 2.92Å; F69-R72 PolarHBondContact O-N 2.79Å; L70-R72 VanDerWaalsContact C-N 3.32Å; L70-R72 PolarHBondContact O-N 3.08Å; R72-R76 WeakPolarHBondContact O-CG 3.37Å; R72-R76 PolarHBondContact O-N 2.92Å
73	A	95.8	Very high	95.6	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-68.9	-51.4	-175.7	0	0	0	0	0	111.7	F69 L70 R75 R76 L77 F205	F69-A73 HydrophobicContact CE1-CB 4.24Å; F69-A73 HydrophobicContact CZ-CB 4.37Å; F69-A73 WeakPolarHBondContact O-CB 3.38Å; F69-A73 PolarHBondContact O-N 3.3Å; L70-A73 PolarHBondContact O-N 2.98Å; A73-R75 VanDerWaalsContact C-N 3.28Å; A73-R75 PolarHBondContact O-N 2.87Å; A73-R76 WeakPolarHBondContact O-CB 3.42Å; A73-R76 PolarHBondContact O-N 3.35Å; A73-R76 VanDerWaalsContact O-N 3.08Å; A73-L77 WeakPolarHBondContact O-CG 3.29Å; A73-L77 PolarHBondContact O-N 2.93Å; A73-F205 HydrophobicContact CB-CD1 3.88Å; A73-F205 HydrophobicContact CB-CE1 3.34Å; A73-F205 HydrophobicContact CB-CZ 3.99Å
74	L	95.4	Very high	95.8	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-58	-39.9	175.1	-75.4	172.3	0	0	0	112.6	A48 L70 R76 L77 G78 V79 V81 I109 F205 F212	A48-L74 HydrophobicContact CB-CD1 3.71Å; L70-L74 VanDerWaalsContact O-CB 3.27Å; L70-L74 WeakPolarHBondContact O-CB 3.34Å; L70-L74 WeakPolarHBondContact O-CG 3.14Å; L70-L74 PolarHBondContact O-N 2.97Å; L74-R76 VanDerWaalsContact C-N 3.34Å; L74-R76 PolarHBondContact O-N 2.78Å; L74-L77 CarbonylContact O-C 3.53Å; L74-L77 WeakPolarHBondContact O-CA 3.36Å; L74-L77 WeakPolarHBondContact O-CB 3.44Å; L74-L77 PolarHBondContact O-N 2.91Å; L74-G78 PolarHBondContact O-N 2.57Å; L74-V79 CarbonylContact C-O 3.6Å; L74-V79 HydrophobicContact CB-CB 4.02Å; L74-V79 HydrophobicContact CB-CG1 4.36Å; L74-V79 HydrophobicContact CD2-CB 4.06Å; L74-V79 HydrophobicContact CD2-CG1 4.11Å; L74-V79 HydrophobicContact CD2-CG2 4.27Å; L74-V79 WeakPolarHBondContact O-CB 3.47Å; L74-V79 PolarHBondContact O-N 3.11Å; L74-V81 HydrophobicContact CB-CG2 3.99Å; L74-V81 HydrophobicContact CD1-CG2 3.51Å; L74-V81 HydrophobicContact CG-CG2 4.44Å; L74-I109 HydrophobicContact CD1-CD1 3.77Å; L74-I109 HydrophobicContact CD2-CD1 4.01Å; L74-I109 HydrophobicContact CG-CD1 4.24Å; L74-F205 HydrophobicContact CD2-CE2 4.07Å; L74-F205 HydrophobicContact CD2-CZ 3.82Å; L74-F205 HydrophobicContact CG-CE2 4.25Å; L74-F205 HydrophobicContact CG-CZ 3.96Å; L74-F212 HydrophobicContact CD2-CB 3.88Å; L74-F212 HydrophobicContact CD2-CD1 4.23Å; L74-F212 HydrophobicContact CD2-CG 4Å
75	R	93.1	Very high	95.9	Very high	81 Å²	81	49.7 Å²	49.7	31%	0.306	24%	0.237	S	C	.	.	H	α-helix	trans	-61.1	-40.7	175.9	-177.4	176.8	169.8	77.9	11.6	112.3	A71 A73 L77 G78 F219 S221 D268	A71-R75 WeakPolarHBondContact O-CB 3.2Å; A71-R75 PolarHBondContact O-N 2.85Å; A73-R75 VanDerWaalsContact C-N 3.28Å; A73-R75 PolarHBondContact O-N 2.87Å; R75-L77 PolarHBondContact O-N 3.06Å; R75-G78 PolarHBondContact O-N 3.16Å; R75-G78 VanDerWaalsContact O-N 3.14Å; R75-F219 HydrophobicContact CG-CB 4.35Å; R75-F219 HydrophobicContact CG-CD2 3.68Å; R75-F219 HydrophobicContact CG-CE2 4.34Å; R75-F219 HydrophobicContact CG-CG 4.28Å; R75-F219 VanDerWaalsContact CZ-CB 3.48Å; R75-F219 WeakPolarHBondContact O-CD2 3.4Å; R75-S221 PolarHBondContact NH2-OG 2.89Å; R75-D268 IonicContact CZ-OD1 3.69Å; R75-D268 IonicContact CZ-OD2 3.15Å; R75-D268 IonicContact NH1-OD1 2.67Å; R75-D268 PolarHBondContact NH1-OD1 2.93Å; R75-D268 IonicContact NH1-OD2 3.95Å; R75-D268 IonicContact NH2-OD1 3.57Å; R75-D268 PolarHBondContact NH2-OD1 3.41Å; R75-D268 IonicContact NH2-OD2 3.93Å; R75-D268 PolarHBondContact NH2-OD2 2.97Å
76	R	92.3	Very high	95.9	Very high	159 Å²	159	49 Å²	49	60%	0.6	23%	0.232	S	C	*	.	H	α-helix	trans	-62	-28.6	173.8	-68.4	-170.5	-52.5	-89.7	2.3	112.5	R72 A73 L74 G78 E209	R72-R76 WeakPolarHBondContact O-CG 3.37Å; R72-R76 PolarHBondContact O-N 2.92Å; A73-R76 WeakPolarHBondContact O-CB 3.42Å; A73-R76 PolarHBondContact O-N 3.35Å; A73-R76 VanDerWaalsContact O-N 3.08Å; L74-R76 VanDerWaalsContact C-N 3.34Å; L74-R76 PolarHBondContact O-N 2.78Å; R76-G78 VanDerWaalsContact C-N 3.28Å; R76-E209 IonicContact NH2-OE1 3.66Å; R76-E209 PolarHBondContact NH2-OE1 2.66Å
77	L	93.3	Very high	96	Very high	24 Å²	24	49 Å²	49	13%	0.126	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	5.9	179.5	-60.3	175.7	0	0	0	113.4	A73 L74 R75 V79 F205 E209 F212 A213 S214	A73-L77 WeakPolarHBondContact O-CG 3.29Å; A73-L77 PolarHBondContact O-N 2.93Å; L74-L77 CarbonylContact O-C 3.53Å; L74-L77 WeakPolarHBondContact O-CA 3.36Å; L74-L77 WeakPolarHBondContact O-CB 3.44Å; L74-L77 PolarHBondContact O-N 2.91Å; R75-L77 PolarHBondContact O-N 3.06Å; L77-V79 VanDerWaalsContact C-N 3.33Å; L77-F205 HydrophobicContact CD1-CE1 4.07Å; L77-F205 HydrophobicContact CD1-CZ 4.04Å; L77-E209 HydrophobicContact CD1-CB 3.82Å; L77-E209 HydrophobicContact CD1-CG 3.99Å; L77-E209 HydrophobicContact CD2-CB 3.99Å; L77-E209 HydrophobicContact CD2-CG 4.46Å; L77-F212 HydrophobicContact CD1-CB 3.9Å; L77-A213 HydrophobicContact CD2-CB 4.31Å; L77-S214 PolarHBondContact O-N 2.83Å
78	G	92.4	Very high	96	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.01	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.8	13.7	-179.8	0	0	0	0	0	114.4	L74 R75 R76 T217	L74-G78 PolarHBondContact O-N 2.57Å; R75-G78 PolarHBondContact O-N 3.16Å; R75-G78 VanDerWaalsContact O-N 3.14Å; R76-G78 VanDerWaalsContact C-N 3.28Å; G78-T217 WeakPolarHBondContact CA-O 3.32Å
79	V	93.8	Very high	96	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.226	C	C	.	.			trans	-100.4	126	180	-177.6	0	0	0	0	110.4	P46 A48 L74 L77 V81 F212	P46-V79 HydrophobicContact CB-CG2 4.19Å; P46-V79 HydrophobicContact CG-CG2 3.98Å; P46-V79 WeakPolarHBondContact O-CA 3.25Å; A48-V79 HydrophobicContact CB-CG1 3.65Å; L74-V79 CarbonylContact C-O 3.6Å; L74-V79 HydrophobicContact CB-CB 4.02Å; L74-V79 HydrophobicContact CB-CG1 4.36Å; L74-V79 HydrophobicContact CD2-CB 4.06Å; L74-V79 HydrophobicContact CD2-CG1 4.11Å; L74-V79 HydrophobicContact CD2-CG2 4.27Å; L74-V79 WeakPolarHBondContact O-CB 3.47Å; L74-V79 PolarHBondContact O-N 3.11Å; L77-V79 VanDerWaalsContact C-N 3.33Å; V79-V81 PolarHBondContact O-N 2.98Å; V79-F212 HydrophobicContact CG2-CB 4.46Å; V79-F212 WeakPolarHBondContact CG2-O 3.14Å
80	S	92.4	Very high	96	Very high	42 Å²	42	50.1 Å²	50.1	29%	0.294	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	111	178.2	-170.5	0	0	0	0	110.7	P46 T47 A48 Q82	P46-S80 PolarHBondContact O-N 2.87Å; T47-S80 CarbonylContact C-O 3.56Å; T47-S80 VanDerWaalsContact CA-O 3.31Å; T47-S80 WeakPolarHBondContact CA-O 3.39Å; A48-S80 PolarHBondContact N-O 2.82Å; S80-Q82 PolarHBondContact O-N 3.05Å
81	V	95.9	Very high	96	Very high	39 Å²	39	53.6 Å²	53.6	24%	0.236	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	116.2	169.5	179.2	0	0	0	0	109.1	A48 I50 A71 L74 V79 I84	A48-V81 HydrophobicContact CB-CG2 4.22Å; A48-V81 WeakPolarHBondContact O-CA 3.45Å; I50-V81 HydrophobicContact CD1-CG1 3.86Å; I50-V81 HydrophobicContact CD1-CG2 4.16Å; I50-V81 HydrophobicContact CG1-CG1 4.23Å; A71-V81 HydrophobicContact CB-CG2 4.41Å; L74-V81 HydrophobicContact CB-CG2 3.99Å; L74-V81 HydrophobicContact CD1-CG2 3.51Å; L74-V81 HydrophobicContact CG-CG2 4.44Å; V79-V81 PolarHBondContact O-N 2.98Å; V81-I84 HydrophobicContact CG1-CD1 4.47Å; V81-I84 HydrophobicContact CG1-CG1 4.03Å
82	Q	95.9	Very high	96.1	Very high	117 Å²	117	58.9 Å²	58.9	55%	0.547	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	-17.4	-175.9	-68.2	-172	-6.2	0	0	113.2	T47 A48 S80 Y105	T47-Q82 HydrophobicContact CG2-CG 4.38Å; T47-Q82 VanDerWaalsContact CG2-NE2 3.27Å; A48-Q82 PolarHBondContact O-N 3.24Å; S80-Q82 PolarHBondContact O-N 3.05Å; Q82-Y105 HydrophobicContact CB-CD1 4.26Å; Q82-Y105 HydrophobicContact CB-CE1 3.6Å; Q82-Y105 HydrophobicContact CG-CE1 4.46Å
83	R	98	Very high	96.2	Very high	102 Å²	102	53.3 Å²	53.3	39%	0.385	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	138	179.3	-174.8	163.6	178.1	142.7	-3.1	112.1	A49 I50 T85 L101 Y105	A49-R83 CarbonylContact C-O 3.59Å; A49-R83 VanDerWaalsContact CA-O 3.27Å; A49-R83 WeakPolarHBondContact CA-O 3.45Å; A49-R83 HydrophobicContact CB-CB 4.26Å; I50-R83 PolarHBondContact N-O 3.38Å; R83-T85 PolarHBondContact NE-OG1 3.17Å; R83-L101 HydrophobicContact CG-CD2 4.32Å; R83-Y105 HydrophobicContact CB-CE2 4.19Å; R83-Y105 WeakPolarHBondContact CB-OH 3.39Å
84	I	98.6	Very high	96.4	Very high	79 Å²	79	53.3 Å²	53.3	41%	0.405	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	126.5	167.8	-58.5	164.8	0	0	0	106.2	I50 V81	I50-I84 HydrophobicContact CB-CG1 4.16Å; I50-I84 HydrophobicContact CB-CG2 4.4Å; I50-I84 HydrophobicContact CD1-CG1 4.14Å; I50-I84 CarbonylContact O-C 3.45Å; I50-I84 WeakPolarHBondContact O-CA 3.36Å; V81-I84 HydrophobicContact CG1-CD1 4.47Å; V81-I84 HydrophobicContact CG1-CG1 4.03Å
85	T	98.1	Very high	96.5	Very high	20 Å²	20	53.9 Å²	53.9	12%	0.123	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	134.8	177.9	-46.9	0	0	0	0	108.4	I50 L51 I52 R83 I87	I50-T85 PolarHBondContact O-N 3.4Å; L51-T85 CarbonylContact C-O 3.15Å; L51-T85 WeakPolarHBondContact CA-O 3.39Å; L51-T85 HydrophobicContact CD1-CG2 4.21Å; I52-T85 PolarHBondContact N-O 3.01Å; R83-T85 PolarHBondContact NE-OG1 3.17Å; T85-I87 HydrophobicContact CG2-CG2 3.84Å
86	V	98.4	Very high	96.8	Very high	51 Å²	51	56.8 Å²	56.8	31%	0.309	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	127.5	173.7	-171.9	0	0	0	0	107.8	I52 I57 L58	I52-V86 HydrophobicContact CB-CB 4.44Å; I52-V86 HydrophobicContact CB-CG1 4.24Å; I52-V86 HydrophobicContact CB-CG2 4.12Å; I52-V86 HydrophobicContact CG1-CG2 4.43Å; I52-V86 HydrophobicContact CG2-CG1 4.28Å; I52-V86 CarbonylContact O-C 3.59Å; I52-V86 WeakPolarHBondContact O-CA 3.28Å; I57-V86 HydrophobicContact CB-CG1 3.92Å; I57-V86 HydrophobicContact CG2-CG1 3.6Å; I57-V86 HydrophobicContact CG2-CG2 4.49Å; L58-V86 HydrophobicContact CD2-CB 4.07Å; L58-V86 HydrophobicContact CD2-CG1 3.66Å; L58-V86 HydrophobicContact CG-CG1 4.02Å
87	I	98.4	Very high	97.1	Very high	9 Å²	9	51 Å²	51	5%	0.046	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	156.6	-174.8	59.6	166.8	0	0	0	112.3	L51 I52 I53 G54 T85 V93 I94 E97	L51-I87 HydrophobicContact CD1-CD1 3.71Å; L51-I87 HydrophobicContact CD1-CG1 3.77Å; L51-I87 HydrophobicContact CD1-CG2 4.15Å; L51-I87 HydrophobicContact CD2-CD1 4.09Å; L51-I87 HydrophobicContact CG-CD1 4.11Å; L51-I87 HydrophobicContact CG-CG1 4.33Å; I52-I87 PolarHBondContact O-N 2.92Å; I53-I87 HydrophobicContact CG1-CD1 4.18Å; I53-I87 HydrophobicContact CG1-CG1 4.03Å; G54-I87 PolarHBondContact N-O 3.17Å; G54-I87 VanDerWaalsContact N-O 3.14Å; T85-I87 HydrophobicContact CG2-CG2 3.84Å; I87-V93 HydrophobicContact CB-CG1 4.05Å; I87-V93 HydrophobicContact CD1-CG1 4.26Å; I87-V93 HydrophobicContact CG2-CG1 4.15Å; I87-I94 HydrophobicContact CD1-CB 4.03Å; I87-I94 HydrophobicContact CD1-CG1 3.55Å; I87-I94 HydrophobicContact CG1-CG1 4.46Å; I87-E97 HydrophobicContact CD1-CB 4.44Å; I87-E97 HydrophobicContact CG2-CG 4.14Å
88	P	98.1	Very high	97.3	Very high	28 Å²	28	49.8 Å²	49.8	18%	0.182	25%	0.251	C	S	.	.			trans	-73.6	163.8	175.5	32.9	-37.9	0	0	0	111.4	D55 L58 I90 V93	D55-P88 VanDerWaalsContact OD1-CB 3.29Å; D55-P88 WeakPolarHBondContact OD1-CB 3.38Å; L58-P88 HydrophobicContact CD1-CB 3.9Å; L58-P88 HydrophobicContact CD1-CG 4.33Å; P88-I90 HydrophobicContact CB-CD1 4.11Å; P88-I90 HydrophobicContact CB-CG1 4.09Å; P88-I90 HydrophobicContact CG-CB 4.38Å; P88-I90 HydrophobicContact CG-CD1 3.77Å; P88-I90 HydrophobicContact CG-CG1 4.01Å; P88-I90 PolarHBondContact O-N 3.15Å; P88-V93 HydrophobicContact CG-CG1 4.46Å
89	D	97.5	Very high	97.6	Very high	29 Å²	29	53.1 Å²	53.1	16%	0.155	27%	0.27	C	S	.	.	S	Bend	trans	-73.1	60.2	173.9	-59.1	-79.2	0	0	0	111.7	I53 G54 D55 D119 I121	I53-D89 WeakPolarHBondContact CG2-OD1 3.34Å; G54-D89 WeakPolarHBondContact CA-OD2 3.13Å; D55-D89 PolarHBondContact N-OD2 3.1Å; D89-D119 HydrophobicContact CB-CB 4.37Å; D89-I121 WeakPolarHBondContact O-CD1 3.38Å
90	I	98.3	Very high	97.8	Very high	76 Å²	76	55.4 Å²	55.4	39%	0.39	28%	0.284	S	S	.	.			trans	-121.5	123.6	-180	-60.9	176.2	0	0	0	109.4	P88 E92 V93 I94	P88-I90 HydrophobicContact CB-CD1 4.11Å; P88-I90 HydrophobicContact CB-CG1 4.09Å; P88-I90 HydrophobicContact CG-CB 4.38Å; P88-I90 HydrophobicContact CG-CD1 3.77Å; P88-I90 HydrophobicContact CG-CG1 4.01Å; P88-I90 PolarHBondContact O-N 3.15Å; I90-E92 WeakPolarHBondContact CG2-OE2 3.44Å; I90-E92 PolarHBondContact O-N 3.23Å; I90-V93 HydrophobicContact CB-CB 4.14Å; I90-V93 HydrophobicContact CB-CG2 3.88Å; I90-V93 HydrophobicContact CG2-CB 4.4Å; I90-V93 HydrophobicContact CG2-CG2 3.81Å; I90-V93 WeakPolarHBondContact O-CB 3.22Å; I90-V93 PolarHBondContact O-N 3.22Å; I90-I94 WeakPolarHBondContact O-CG1 3.26Å; I90-I94 PolarHBondContact O-N 3.23Å
91	H	97.9	Very high	98.1	Very high	73 Å²	73	53.4 Å²	53.4	34%	0.338	27%	0.27	S	S	.	.	H	α-helix	trans	-52.9	-52.2	-172.2	-175.5	68.1	0	0	0	113.4	V93 I94 A95 I121 E124 S125 A128	H91-V93 VanDerWaalsContact C-N 3.27Å; H91-V93 PolarHBondContact O-N 3.18Å; H91-I94 PolarHBondContact O-N 3.37Å; H91-A95 WeakPolarHBondContact O-CB 3.48Å; H91-A95 PolarHBondContact O-N 3.36Å; H91-I121 HydrophobicContact CB-CD1 4Å; H91-I121 VanDerWaalsContact N-CD1 3.33Å; H91-E124 PolarHBondContact CE1-O 2.91Å; H91-S125 VanDerWaalsContact CE1-CA 3.5Å; H91-S125 WeakPolarHBondContact CE1-CA 3.47Å; H91-S125 WeakPolarHBondContact ND1-CA 3.34Å; H91-S125 PolarHBondContact ND1-OG 3.29Å; H91-A128 WeakPolarHBondContact NE2-CB 3Å
92	E	98.2	Very high	98.2	Very high	139 Å²	139	52.3 Å²	52.3	65%	0.65	26%	0.264	S	S	*	.	H	α-helix	trans	-68.1	-29.9	-177.4	-55.4	97.1	174.7	0	0	112.5	I90 K96	I90-E92 WeakPolarHBondContact CG2-OE2 3.44Å; I90-E92 PolarHBondContact O-N 3.23Å; E92-K96 WeakPolarHBondContact O-CB 3.06Å; E92-K96 PolarHBondContact O-N 2.91Å; E92-K96 VanDerWaalsContact O-N 3.08Å
93	V	98.6	Very high	98.2	Very high	50 Å²	50	51.2 Å²	51.2	30%	0.303	27%	0.27	S	S	.	.	H	α-helix	trans	-70.6	-49.1	179.1	179.8	0	0	0	0	109.9	I87 P88 I90 H91 K96 E97	I87-V93 HydrophobicContact CB-CG1 4.05Å; I87-V93 HydrophobicContact CD1-CG1 4.26Å; I87-V93 HydrophobicContact CG2-CG1 4.15Å; P88-V93 HydrophobicContact CG-CG1 4.46Å; I90-V93 HydrophobicContact CB-CB 4.14Å; I90-V93 HydrophobicContact CB-CG2 3.88Å; I90-V93 HydrophobicContact CG2-CB 4.4Å; I90-V93 HydrophobicContact CG2-CG2 3.81Å; I90-V93 WeakPolarHBondContact O-CB 3.22Å; I90-V93 PolarHBondContact O-N 3.22Å; H91-V93 VanDerWaalsContact C-N 3.27Å; H91-V93 PolarHBondContact O-N 3.18Å; V93-K96 PolarHBondContact O-N 2.91Å; V93-E97 PolarHBondContact O-N 3.23Å
94	I	98.7	Very high	98.2	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-59.8	-50.7	177.4	-61.5	161.7	0	0	0	109.9	I53 I87 I90 H91 K96 E97 V98 I121	I53-I94 HydrophobicContact CD1-CD1 4.47Å; I53-I94 HydrophobicContact CD1-CG1 4.3Å; I53-I94 HydrophobicContact CD1-CG2 3.86Å; I53-I94 HydrophobicContact CG1-CG1 4.49Å; I53-I94 HydrophobicContact CG2-CD1 3.66Å; I53-I94 HydrophobicContact CG2-CG1 4Å; I87-I94 HydrophobicContact CD1-CB 4.03Å; I87-I94 HydrophobicContact CD1-CG1 3.55Å; I87-I94 HydrophobicContact CG1-CG1 4.46Å; I90-I94 WeakPolarHBondContact O-CG1 3.26Å; I90-I94 PolarHBondContact O-N 3.23Å; H91-I94 PolarHBondContact O-N 3.37Å; I94-K96 VanDerWaalsContact C-N 3.31Å; I94-K96 PolarHBondContact O-N 2.99Å; I94-E97 PolarHBondContact O-N 2.92Å; I94-V98 HydrophobicContact CG2-CG2 4.18Å; I94-V98 WeakPolarHBondContact O-CB 3.2Å; I94-V98 VanDerWaalsContact O-CG2 3.25Å; I94-V98 WeakPolarHBondContact O-CG2 3.21Å; I94-V98 PolarHBondContact O-N 3.24Å; I94-I121 HydrophobicContact CD1-CD1 4.23Å; I94-I121 HydrophobicContact CD1-CG1 3.86Å
95	A	98.6	Very high	98.1	Very high	12 Å²	12	49.4 Å²	49.4	10%	0.099	26%	0.263	C	S	.	.	H	α-helix	trans	-58.5	-44.1	-177.8	0	0	0	0	0	112	H91 V98 V99 S125 A128 A129	H91-A95 WeakPolarHBondContact O-CB 3.48Å; H91-A95 PolarHBondContact O-N 3.36Å; A95-V98 PolarHBondContact O-N 3.44Å; A95-V99 WeakPolarHBondContact O-CG2 2.93Å; A95-V99 PolarHBondContact O-N 3.34Å; A95-V99 VanDerWaalsContact O-N 3.16Å; A95-S125 WeakPolarHBondContact CB-O 3.48Å; A95-A128 HydrophobicContact CB-CB 4.31Å; A95-A129 HydrophobicContact CB-CB 4.24Å; A95-A129 WeakPolarHBondContact O-CB 3.27Å
96	K	98.5	Very high	98	Very high	142 Å²	142	51.6 Å²	51.6	62%	0.617	28%	0.276	S	S	*	.	H	α-helix	trans	-64.1	-47	178.7	-177.4	-176.7	176.3	-172.9	0	112.5	E92 V93 I94 V98 V99 V100	E92-K96 WeakPolarHBondContact O-CB 3.06Å; E92-K96 PolarHBondContact O-N 2.91Å; E92-K96 VanDerWaalsContact O-N 3.08Å; V93-K96 PolarHBondContact O-N 2.91Å; I94-K96 VanDerWaalsContact C-N 3.31Å; I94-K96 PolarHBondContact O-N 2.99Å; K96-V98 VanDerWaalsContact C-N 3.33Å; K96-V99 PolarHBondContact O-N 3.41Å; K96-V100 WeakPolarHBondContact O-CG2 2.95Å; K96-V100 PolarHBondContact O-N 3.49Å; K96-V100 VanDerWaalsContact O-N 3.16Å
97	E	98.6	Very high	98	Very high	37 Å²	37	50.2 Å²	50.2	17%	0.173	27%	0.266	C	S	.	.	H	α-helix	trans	-66.6	-36.1	179.3	-72.2	-60.7	142.5	0	0	111.6	L51 I87 V93 I94 V99 V100 L101	L51-E97 HydrophobicContact CD1-CB 4.24Å; L51-E97 HydrophobicContact CD2-CB 4.34Å; I87-E97 HydrophobicContact CD1-CB 4.44Å; I87-E97 HydrophobicContact CG2-CG 4.14Å; V93-E97 PolarHBondContact O-N 3.23Å; I94-E97 PolarHBondContact O-N 2.92Å; E97-V99 PolarHBondContact O-N 3.43Å; E97-V100 PolarHBondContact O-N 3.32Å; E97-L101 WeakPolarHBondContact O-CB 3.2Å; E97-L101 VanDerWaalsContact O-CG 3.27Å; E97-L101 WeakPolarHBondContact O-CG 3.44Å; E97-L101 PolarHBondContact O-N 3.13Å
98	V	98.6	Very high	98	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-58.1	-49.2	173.7	169	0	0	0	0	110.8	L51 I94 A95 K96 V100 L101 S102 L108 I126 A129 F130 V191	L51-V98 HydrophobicContact CD2-CG2 3.99Å; I94-V98 HydrophobicContact CG2-CG2 4.18Å; I94-V98 WeakPolarHBondContact O-CB 3.2Å; I94-V98 VanDerWaalsContact O-CG2 3.25Å; I94-V98 WeakPolarHBondContact O-CG2 3.21Å; I94-V98 PolarHBondContact O-N 3.24Å; A95-V98 PolarHBondContact O-N 3.44Å; K96-V98 VanDerWaalsContact C-N 3.33Å; V98-V100 VanDerWaalsContact C-N 3.33Å; V98-V100 PolarHBondContact O-N 3.27Å; V98-L101 PolarHBondContact O-N 3.48Å; V98-S102 WeakPolarHBondContact O-CB 3.41Å; V98-S102 PolarHBondContact O-N 3.47Å; V98-S102 PolarHBondContact O-OG 3.48Å; V98-L108 HydrophobicContact CB-CD2 4.43Å; V98-L108 HydrophobicContact CG1-CD2 4.31Å; V98-L108 HydrophobicContact CG2-CD2 4.33Å; V98-I126 HydrophobicContact CG1-CG1 4.44Å; V98-I126 HydrophobicContact CG2-CG1 4.01Å; V98-A129 HydrophobicContact CB-CB 3.93Å; V98-A129 HydrophobicContact CG1-CB 3.7Å; V98-F130 HydrophobicContact CG1-CE1 4.5Å; V98-F130 HydrophobicContact CG1-CE2 4.14Å; V98-F130 HydrophobicContact CG1-CZ 3.89Å; V98-V191 HydrophobicContact CG1-CG2 4.16Å
99	V	98.3	Very high	98	Very high	70 Å²	70	48.5 Å²	48.5	42%	0.424	26%	0.256	S	S	.	.	H	α-helix	trans	-58.1	-44.8	177.6	172.6	0	0	0	0	111.9	A95 K96 E97 S103 A129	A95-V99 WeakPolarHBondContact O-CG2 2.93Å; A95-V99 PolarHBondContact O-N 3.34Å; A95-V99 VanDerWaalsContact O-N 3.16Å; K96-V99 PolarHBondContact O-N 3.41Å; E97-V99 PolarHBondContact O-N 3.43Å; V99-S103 WeakPolarHBondContact O-CB 3.38Å; V99-S103 PolarHBondContact O-N 3.19Å; V99-S103 PolarHBondContact O-OG 3.11Å; V99-A129 HydrophobicContact CG2-CB 3.86Å; V99-A129 WeakPolarHBondContact CG2-O 3.03Å
100	V	98.2	Very high	98.1	Very high	49 Å²	49	47.1 Å²	47.1	30%	0.297	25%	0.248	S	C	.	.	H	α-helix	trans	-66.6	-50.3	-177.9	171.8	0	0	0	0	110.9	K96 E97 V98 S103 Q104	K96-V100 WeakPolarHBondContact O-CG2 2.95Å; K96-V100 PolarHBondContact O-N 3.49Å; K96-V100 VanDerWaalsContact O-N 3.16Å; E97-V100 PolarHBondContact O-N 3.32Å; V98-V100 VanDerWaalsContact C-N 3.33Å; V98-V100 PolarHBondContact O-N 3.27Å; V100-S103 PolarHBondContact O-OG 3.48Å; V100-Q104 WeakPolarHBondContact O-CG 3.29Å
101	L	98.3	Very high	98.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-75.5	-40.5	-173.7	-61.2	175.5	0	0	0	111.7	A49 L51 R83 E97 V98 S103 Q104 Y105 L108	A49-L101 HydrophobicContact CB-CB 4.24Å; A49-L101 HydrophobicContact CB-CD1 4.42Å; A49-L101 HydrophobicContact CB-CD2 4.16Å; L51-L101 HydrophobicContact CB-CD1 4.31Å; L51-L101 HydrophobicContact CD1-CD1 4.14Å; R83-L101 HydrophobicContact CG-CD2 4.32Å; E97-L101 WeakPolarHBondContact O-CB 3.2Å; E97-L101 VanDerWaalsContact O-CG 3.27Å; E97-L101 WeakPolarHBondContact O-CG 3.44Å; E97-L101 PolarHBondContact O-N 3.13Å; V98-L101 PolarHBondContact O-N 3.48Å; L101-S103 PolarHBondContact O-N 3.22Å; L101-Q104 PolarHBondContact O-N 3.4Å; L101-Q104 VanDerWaalsContact O-N 3.14Å; L101-Y105 HydrophobicContact CB-CD2 4.38Å; L101-Y105 HydrophobicContact CD2-CD2 4.31Å; L101-Y105 HydrophobicContact CD2-CE2 3.77Å; L101-Y105 VanDerWaalsContact O-CD2 3.29Å; L101-Y105 WeakPolarHBondContact O-CD2 3.44Å; L101-Y105 PolarHBondContact O-N 3.22Å; L101-L108 HydrophobicContact CB-CD1 3.8Å; L101-L108 HydrophobicContact CB-CD2 4Å; L101-L108 HydrophobicContact CB-CG 4.45Å; L101-L108 HydrophobicContact CD1-CD1 3.91Å
102	S	97.7	Very high	98	Very high	16 Å²	16	40.3 Å²	40.3	11%	0.112	22%	0.216	C	C	.	.	H	α-helix	trans	-63.6	-26.8	-178.9	79.2	0	0	0	0	112.6	V98 N190	V98-S102 WeakPolarHBondContact O-CB 3.41Å; V98-S102 PolarHBondContact O-N 3.47Å; V98-S102 PolarHBondContact O-OG 3.48Å; S102-N190 WeakPolarHBondContact CB-OD1 3.41Å; S102-N190 PolarHBondContact O-ND2 3.25Å
103	S	97.3	Very high	97.8	Very high	94 Å²	94	34 Å²	34	66%	0.657	19%	0.189	S	C	*	.	H	α-helix	trans	-84.4	-16.7	178.8	61	0	0	0	0	114.2	V99 V100 L101	V99-S103 WeakPolarHBondContact O-CB 3.38Å; V99-S103 PolarHBondContact O-N 3.19Å; V99-S103 PolarHBondContact O-OG 3.11Å; V100-S103 PolarHBondContact O-OG 3.48Å; L101-S103 PolarHBondContact O-N 3.22Å
104	Q	97.3	Very high	97.6	Very high	112 Å²	112	33.1 Å²	33.1	52%	0.523	18%	0.184	S	C	.	.	H	α-helix	trans	-103	-22.3	-174.7	-70	179.3	6.9	0	0	113.9	V100 L101	V100-Q104 WeakPolarHBondContact O-CG 3.29Å; L101-Q104 PolarHBondContact O-N 3.4Å; L101-Q104 VanDerWaalsContact O-N 3.14Å
105	Y	97.4	Very high	97.3	Very high	31 Å²	31	34 Å²	34	12%	0.122	19%	0.193	C	C	.	.	S	Bend	trans	-124.8	153.4	-171.7	-58.1	-72.8	0	0	0	112.2	T47 A49 Q82 R83 L101 H107 N190	T47-Y105 WeakPolarHBondContact OG1-CA 3.35Å; A49-Y105 HydrophobicContact CB-CD2 3.33Å; A49-Y105 HydrophobicContact CB-CE2 3.68Å; A49-Y105 HydrophobicContact CB-CG 3.84Å; Q82-Y105 HydrophobicContact CB-CD1 4.26Å; Q82-Y105 HydrophobicContact CB-CE1 3.6Å; Q82-Y105 HydrophobicContact CG-CE1 4.46Å; R83-Y105 HydrophobicContact CB-CE2 4.19Å; R83-Y105 WeakPolarHBondContact CB-OH 3.39Å; L101-Y105 HydrophobicContact CB-CD2 4.38Å; L101-Y105 HydrophobicContact CD2-CD2 4.31Å; L101-Y105 HydrophobicContact CD2-CE2 3.77Å; L101-Y105 VanDerWaalsContact O-CD2 3.29Å; L101-Y105 WeakPolarHBondContact O-CD2 3.44Å; L101-Y105 PolarHBondContact O-N 3.22Å; Y105-H107 VanDerWaalsContact C-N 3.34Å; Y105-H107 PolarHBondContact O-N 3.33Å; Y105-N190 PolarHBondContact O-ND2 2.93Å
106	T	95.9	Very high	96.9	Very high	66 Å²	66	36.2 Å²	36.2	41%	0.405	21%	0.206	S	C	.	.	S	Bend	trans	-62.9	-43.1	177.8	-46	0	0	0	0	111	P46 T47 N190	P46-T106 HydrophobicContact CB-CG2 4.13Å; T47-T106 PolarHBondContact N-OG1 3.26Å; T47-T106 WeakPolarHBondContact O-CA 3.45Å; T47-T106 WeakPolarHBondContact O-CB 3.49Å; T47-T106 PolarHBondContact O-N 3.45Å; T47-T106 VanDerWaalsContact O-N 3.15Å; T47-T106 PolarHBondContact OG1-N 2.93Å; T47-T106 VanDerWaalsContact OG1-N 3.14Å; T47-T106 PolarHBondContact OG1-OG1 3.49Å; T106-N190 WeakPolarHBondContact O-CB 3.38Å; T106-N190 PolarHBondContact O-ND2 2.98Å
107	H	97.3	Very high	96.6	Very high	22 Å²	22	32.7 Å²	32.7	10%	0.102	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	134.9	177.3	-53.5	-77	0	0	0	111	T47 A48 A49 Y105 Y192 F212	T47-H107 PolarHBondContact O-N 3.17Å; A48-H107 CarbonylContact C-O 3.58Å; A48-H107 VanDerWaalsContact CA-O 3.22Å; A48-H107 WeakPolarHBondContact CA-O 3.49Å; A48-H107 HydrophobicContact CB-CB 4.33Å; A49-H107 PolarHBondContact N-O 2.96Å; Y105-H107 VanDerWaalsContact C-N 3.34Å; Y105-H107 PolarHBondContact O-N 3.33Å; H107-Y192 AromaticContact ND1-CE2 3.66Å; H107-F212 HydrophobicContact CB-CD1 4.46Å; H107-F212 AromaticContact CG-CD1 3.99Å; H107-F212 AromaticContact ND1-CD1 3.87Å
108	L	98.6	Very high	96.1	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	121.1	163.8	175.8	57.6	0	0	0	108.3	A49 L51 V98 L101 T110 N190 V191 Y192	A49-L108 HydrophobicContact CB-CD1 4.02Å; L51-L108 HydrophobicContact CB-CD1 4.02Å; V98-L108 HydrophobicContact CB-CD2 4.43Å; V98-L108 HydrophobicContact CG1-CD2 4.31Å; V98-L108 HydrophobicContact CG2-CD2 4.33Å; L101-L108 HydrophobicContact CB-CD1 3.8Å; L101-L108 HydrophobicContact CB-CD2 4Å; L101-L108 HydrophobicContact CB-CG 4.45Å; L101-L108 HydrophobicContact CD1-CD1 3.91Å; L108-T110 HydrophobicContact CG-CG2 4.38Å; L108-N190 PolarHBondContact N-O 3.22Å; L108-V191 HydrophobicContact CB-CG1 4.44Å; L108-V191 HydrophobicContact CB-CG2 4.22Å; L108-V191 HydrophobicContact CD2-CG1 4.02Å; L108-V191 HydrophobicContact CD2-CG2 3.95Å; L108-V191 HydrophobicContact CG-CG1 4.12Å; L108-V191 HydrophobicContact CG-CG2 4.45Å; L108-V191 CarbonylContact O-C 3.56Å; L108-V191 VanDerWaalsContact O-CA 3.3Å; L108-V191 WeakPolarHBondContact O-CA 3.13Å; L108-Y192 PolarHBondContact O-N 2.98Å
109	I	98.6	Very high	95.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	121.2	175.9	-56.4	-166.1	0	0	0	108.3	A49 I50 L51 L70 L74 F194 F205 F212	A49-I109 PolarHBondContact O-N 3.14Å; I50-I109 CarbonylContact C-O 3.49Å; I50-I109 VanDerWaalsContact CA-O 3.32Å; I50-I109 WeakPolarHBondContact CA-O 3.25Å; L51-I109 PolarHBondContact N-O 2.94Å; L70-I109 HydrophobicContact CD1-CG2 3.8Å; L70-I109 HydrophobicContact CD2-CD1 4.33Å; L70-I109 HydrophobicContact CD2-CG2 4.11Å; L74-I109 HydrophobicContact CD1-CD1 3.77Å; L74-I109 HydrophobicContact CD2-CD1 4.01Å; L74-I109 HydrophobicContact CG-CD1 4.24Å; I109-F194 HydrophobicContact CG2-CD2 3.51Å; I109-F194 HydrophobicContact CG2-CE2 3.74Å; I109-F194 HydrophobicContact CG2-CG 4.5Å; I109-F205 HydrophobicContact CD1-CD2 4.45Å; I109-F205 HydrophobicContact CD1-CE2 3.81Å; I109-F212 HydrophobicContact CD1-CD1 4.47Å; I109-F212 HydrophobicContact CD1-CE1 3.97Å; I109-F212 HydrophobicContact CD1-CZ 4.06Å; I109-F212 HydrophobicContact CG1-CE1 4.37Å
110	T	98.6	Very high	95.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	151.6	172.8	78.6	0	0	0	0	110.6	L51 L108 V191 Y192 V193 F194	L51-T110 HydrophobicContact CB-CG2 4.21Å; L51-T110 HydrophobicContact CD2-CG2 4.24Å; L51-T110 CarbonylContact O-C 3.54Å; L51-T110 WeakPolarHBondContact O-CA 3.43Å; L108-T110 HydrophobicContact CG-CG2 4.38Å; T110-V191 HydrophobicContact CG2-CG1 3.84Å; T110-Y192 PolarHBondContact N-O 2.83Å; T110-V193 WeakPolarHBondContact OG1-CA 3.37Å; T110-F194 WeakPolarHBondContact O-CB 3.41Å; T110-F194 PolarHBondContact O-N 2.86Å
111	S	98.1	Very high	95.5	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.007	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	123	171.7	179.7	0	0	0	0	109.8	L51 I53 N66 F194 P195	L51-S111 PolarHBondContact O-N 3.42Å; I53-S111 PolarHBondContact N-O 3.23Å; N66-S111 PolarHBondContact ND2-OG 3.19Å; S111-F194 WeakPolarHBondContact CA-O 3.34Å; S111-P195 PolarHBondContact OG-O 3.46Å
112	G	96.1	Very high	95.5	Very high	5 Å²	5	39.2 Å²	39.2	5%	0.052	22%	0.223	C	C	.	.	S	Bend	trans	110.1	164.2	179.6	0	0	0	0	0	114.7	I53 T122 F194	I53-G112 WeakPolarHBondContact O-CA 3.49Å; G112-T122 PolarHBondContact O-OG1 3.22Å; G112-F194 PolarHBondContact N-O 2.87Å
113	G	94.2	Very high	95.5	Very high	8 Å²	8	39.3 Å²	39.3	8%	0.082	22%	0.221	C	C	.	.			trans	68.5	31.3	176.9	0	0	0	0	0	115.9	D120 I121 T122	G113-D120 WeakPolarHBondContact CA-OD1 3.49Å; G113-D120 CarbonylContact O-C 3.56Å; G113-D120 WeakPolarHBondContact O-CA 3.27Å; G113-I121 PolarHBondContact O-N 2.99Å; G113-T122 WeakPolarHBondContact CA-OG1 3.5Å; G113-T122 WeakPolarHBondContact O-CB 3.43Å; G113-T122 PolarHBondContact O-N 3.35Å; G113-T122 PolarHBondContact O-OG1 2.94Å; G113-T122 VanDerWaalsContact O-OG1 3.08Å
114	V	94.7	Very high	95.6	Very high	30 Å²	30	37.2 Å²	37.2	18%	0.182	20%	0.201	C	C	.	.			trans	-118.1	3.9	-175.3	-58.4	0	0	0	0	114.3	D120 T122 F123 L160 V193 P195	V114-D120 PolarHBondContact N-OD1 3.45Å; V114-T122 HydrophobicContact CG1-CG2 4.38Å; V114-F123 HydrophobicContact CB-CE2 4.25Å; V114-F123 HydrophobicContact CG1-CE2 4.3Å; V114-F123 HydrophobicContact CG1-CZ 4.32Å; V114-L160 WeakPolarHBondContact O-CD2 3.49Å; V114-V193 HydrophobicContact CG1-CG1 3.43Å; V114-V193 VanDerWaalsContact CG1-CG1 3.43Å; V114-P195 HydrophobicContact CG2-CB 4.15Å
115	G	92.1	Very high	95.6	Very high	19 Å²	19	31.9 Å²	31.9	20%	0.196	18%	0.176	C	C	.	.	S	Bend	trans	-77.9	-169.8	175.4	0	0	0	0	0	113.6	D120	G115-D120 WeakPolarHBondContact CA-OD2 3.43Å; G115-D120 PolarHBondContact N-OD1 3.16Å; G115-D120 PolarHBondContact N-OD2 3.31Å; G115-D120 WeakPolarHBondContact O-CB 3.29Å
116	P	91.4	Very high	95.7	Very high	58 Å²	58	30.5 Å²	30.5	38%	0.377	17%	0.171	S	C	.	.	S	Bend	trans	-89.3	-2.4	-177.8	35.7	-35	0	0	0	114	P156 L160	P116-P156 WeakPolarHBondContact CB-O 3.34Å; P116-L160 HydrophobicContact CB-CG 4.44Å
117	T	91.3	Very high	95.8	Very high	69 Å²	69	27.5 Å²	27.5	42%	0.423	15%	0.153	S	C	.	.	S	Bend	trans	-82.6	170.1	-173.2	56.3	0	0	0	0	112.2	D119 D120 K159	T117-D119 VanDerWaalsContact C-N 3.26Å; T117-D119 WeakPolarHBondContact CB-OD1 3.4Å; T117-D119 PolarHBondContact O-N 3.37Å; T117-D119 PolarHBondContact OG1-OD1 3.05Å; T117-D120 PolarHBondContact N-OD2 2.92Å; T117-D120 WeakPolarHBondContact O-CB 3.38Å; T117-D120 PolarHBondContact O-N 3.2Å; T117-D120 VanDerWaalsContact O-N 3.16Å; T117-D120 PolarHBondContact OG1-OD2 2.87Å; T117-K159 PolarHBondContact O-NZ 3.03Å
118	H	88.6	Confident	95.8	Very high	167 Å²	167	28.5 Å²	28.5	77%	0.773	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-29.2	-172.1	61.8	-77.1	0	0	0	113.4	I121	H118-I121 WeakPolarHBondContact O-CG2 3.34Å
119	D	89.4	Confident	95.8	Very high	69 Å²	69	29.2 Å²	29.2	37%	0.369	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-16	175.8	51.4	-21.9	0	0	0	113.5	D89 T117 I121	D89-D119 HydrophobicContact CB-CB 4.37Å; T117-D119 VanDerWaalsContact C-N 3.26Å; T117-D119 WeakPolarHBondContact CB-OD1 3.4Å; T117-D119 PolarHBondContact O-N 3.37Å; T117-D119 PolarHBondContact OG1-OD1 3.05Å; D119-I121 VanDerWaalsContact C-N 3.33Å; D119-I121 PolarHBondContact O-N 3.47Å
120	D	95.9	Very high	95.8	Very high	27 Å²	27	30 Å²	30	14%	0.144	17%	0.174	C	C	.	.			trans	-75.7	76.4	176.3	-73.9	-62.1	0	0	0	112.4	G113 V114 G115 T117 K159	G113-D120 WeakPolarHBondContact CA-OD1 3.49Å; G113-D120 CarbonylContact O-C 3.56Å; G113-D120 WeakPolarHBondContact O-CA 3.27Å; V114-D120 PolarHBondContact N-OD1 3.45Å; G115-D120 WeakPolarHBondContact CA-OD2 3.43Å; G115-D120 PolarHBondContact N-OD1 3.16Å; G115-D120 PolarHBondContact N-OD2 3.31Å; G115-D120 WeakPolarHBondContact O-CB 3.29Å; T117-D120 PolarHBondContact N-OD2 2.92Å; T117-D120 WeakPolarHBondContact O-CB 3.38Å; T117-D120 PolarHBondContact O-N 3.2Å; T117-D120 VanDerWaalsContact O-N 3.16Å; T117-D120 PolarHBondContact OG1-OD2 2.87Å; D120-K159 WeakPolarHBondContact O-CE 3.12Å; D120-K159 PolarHBondContact O-NZ 3.41Å
121	I	97.2	Very high	95.7	Very high	30 Å²	30	39 Å²	39	15%	0.154	22%	0.216	C	C	.	.			trans	-111.5	18.6	-169.8	61	176.4	0	0	0	114.1	D89 H91 I94 G113 H118 D119 E124 S125	D89-I121 WeakPolarHBondContact O-CD1 3.38Å; H91-I121 HydrophobicContact CB-CD1 4Å; H91-I121 VanDerWaalsContact N-CD1 3.33Å; I94-I121 HydrophobicContact CD1-CD1 4.23Å; I94-I121 HydrophobicContact CD1-CG1 3.86Å; G113-I121 PolarHBondContact O-N 2.99Å; H118-I121 WeakPolarHBondContact O-CG2 3.34Å; D119-I121 VanDerWaalsContact C-N 3.33Å; D119-I121 PolarHBondContact O-N 3.47Å; I121-E124 WeakPolarHBondContact CA-OE2 3.39Å; I121-S125 VanDerWaalsContact O-CB 3.28Å; I121-S125 WeakPolarHBondContact O-CB 3.33Å; I121-S125 PolarHBondContact O-N 2.89Å; I121-S125 PolarHBondContact O-OG 3.37Å
122	T	98.1	Very high	95.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-65	-42.9	-172.7	-66.3	0	0	0	0	112.1	I53 G112 G113 V114 S125 I126 V193	I53-T122 HydrophobicContact CD1-CG2 3.73Å; I53-T122 WeakPolarHBondContact CD1-OG1 3.4Å; G112-T122 PolarHBondContact O-OG1 3.22Å; G113-T122 WeakPolarHBondContact CA-OG1 3.5Å; G113-T122 WeakPolarHBondContact O-CB 3.43Å; G113-T122 PolarHBondContact O-N 3.35Å; G113-T122 PolarHBondContact O-OG1 2.94Å; G113-T122 VanDerWaalsContact O-OG1 3.08Å; V114-T122 HydrophobicContact CG1-CG2 4.38Å; T122-S125 PolarHBondContact O-N 3.14Å; T122-I126 HydrophobicContact CG2-CD1 3.74Å; T122-I126 HydrophobicContact CG2-CG1 4.48Å; T122-I126 VanDerWaalsContact O-CG1 3.26Å; T122-I126 WeakPolarHBondContact O-CG1 3.41Å; T122-I126 PolarHBondContact O-N 3.14Å; T122-V193 HydrophobicContact CG2-CG1 3.81Å
123	F	98.2	Very high	95.7	Very high	18 Å²	18	46.3 Å²	46.3	8%	0.079	25%	0.249	C	C	.	.	H	α-helix	trans	-67.7	-44.1	-179.3	-73.8	-49.6	0	0	0	112.5	V114 S125 I126 A127 V163 P164 V186 V193	V114-F123 HydrophobicContact CB-CE2 4.25Å; V114-F123 HydrophobicContact CG1-CE2 4.3Å; V114-F123 HydrophobicContact CG1-CZ 4.32Å; F123-S125 VanDerWaalsContact C-N 3.28Å; F123-S125 PolarHBondContact O-N 3.44Å; F123-I126 PolarHBondContact O-N 3.21Å; F123-A127 WeakPolarHBondContact O-CB 3.15Å; F123-A127 PolarHBondContact O-N 2.85Å; F123-V163 HydrophobicContact CD1-CG1 4.37Å; F123-V163 HydrophobicContact CD2-CG1 4.38Å; F123-V163 HydrophobicContact CE1-CG1 4.35Å; F123-V163 HydrophobicContact CE2-CG1 4.34Å; F123-V163 HydrophobicContact CG-CG1 4.42Å; F123-V163 HydrophobicContact CZ-CG1 4.33Å; F123-P164 WeakPolarHBondContact O-CG 3.36Å; F123-V186 HydrophobicContact CD1-CG1 4.3Å; F123-V186 HydrophobicContact CE1-CB 3.54Å; F123-V186 HydrophobicContact CE1-CG1 3.6Å; F123-V186 HydrophobicContact CE1-CG2 3.96Å; F123-V186 HydrophobicContact CZ-CB 3.8Å; F123-V186 HydrophobicContact CZ-CG1 4.27Å; F123-V186 HydrophobicContact CZ-CG2 3.74Å; F123-V193 HydrophobicContact CD1-CG1 4.27Å; F123-V193 HydrophobicContact CE1-CB 3.81Å; F123-V193 HydrophobicContact CE1-CG1 3.56Å; F123-V193 HydrophobicContact CE1-CG2 4.05Å; F123-V193 HydrophobicContact CZ-CB 4.37Å; F123-V193 HydrophobicContact CZ-CG1 3.89Å
124	E	97.9	Very high	95.8	Very high	50 Å²	50	48 Å²	48	23%	0.234	26%	0.257	C	S	.	.	H	α-helix	trans	-60.5	-41.8	176.2	-63.5	87.5	161.7	0	0	110.8	H91 I121 A127 A128 V134 K159	H91-E124 PolarHBondContact CE1-O 2.91Å; I121-E124 WeakPolarHBondContact CA-OE2 3.39Å; E124-A127 WeakPolarHBondContact O-CB 3.2Å; E124-A127 PolarHBondContact O-N 2.8Å; E124-A128 PolarHBondContact O-N 3.38Å; E124-V134 HydrophobicContact CG-CG1 4.35Å; E124-V134 HydrophobicContact CG-CG2 4.5Å; E124-K159 WeakPolarHBondContact OE1-CE 3.35Å; E124-K159 IonicContact OE1-NZ 2.59Å
125	S	98.4	Very high	95.9	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-69.1	-36.3	179.6	-53.6	0	0	0	0	112.7	H91 A95 I121 T122 F123 A128 A129	H91-S125 VanDerWaalsContact CE1-CA 3.5Å; H91-S125 WeakPolarHBondContact CE1-CA 3.47Å; H91-S125 WeakPolarHBondContact ND1-CA 3.34Å; H91-S125 PolarHBondContact ND1-OG 3.29Å; A95-S125 WeakPolarHBondContact CB-O 3.48Å; I121-S125 VanDerWaalsContact O-CB 3.28Å; I121-S125 WeakPolarHBondContact O-CB 3.33Å; I121-S125 PolarHBondContact O-N 2.89Å; I121-S125 PolarHBondContact O-OG 3.37Å; T122-S125 PolarHBondContact O-N 3.14Å; F123-S125 VanDerWaalsContact C-N 3.28Å; F123-S125 PolarHBondContact O-N 3.44Å; S125-A128 PolarHBondContact O-N 3.32Å; S125-A129 WeakPolarHBondContact O-CB 3.31Å; S125-A129 PolarHBondContact O-N 3.48Å
126	I	98.6	Very high	96.1	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-68.3	-41	173.3	-70.1	167.3	0	0	0	111	V98 T122 F123 A128 A129 F130 P164 V188 V191 V193	V98-I126 HydrophobicContact CG1-CG1 4.44Å; V98-I126 HydrophobicContact CG2-CG1 4.01Å; T122-I126 HydrophobicContact CG2-CD1 3.74Å; T122-I126 HydrophobicContact CG2-CG1 4.48Å; T122-I126 VanDerWaalsContact O-CG1 3.26Å; T122-I126 WeakPolarHBondContact O-CG1 3.41Å; T122-I126 PolarHBondContact O-N 3.14Å; F123-I126 PolarHBondContact O-N 3.21Å; I126-A128 VanDerWaalsContact C-N 3.34Å; I126-A128 PolarHBondContact O-N 3.47Å; I126-A129 WeakPolarHBondContact O-CB 3.46Å; I126-A129 PolarHBondContact O-N 3.02Å; I126-F130 HydrophobicContact CG2-CD2 3.89Å; I126-F130 HydrophobicContact CG2-CE2 3.87Å; I126-F130 WeakPolarHBondContact O-CD2 3.42Å; I126-F130 PolarHBondContact O-N 2.99Å; I126-F130 VanDerWaalsContact O-N 3.16Å; I126-P164 HydrophobicContact CB-CG 4.47Å; I126-P164 HydrophobicContact CG2-CG 4.19Å; I126-V188 HydrophobicContact CG2-CB 4.04Å; I126-V188 HydrophobicContact CG2-CG1 4.36Å; I126-V188 HydrophobicContact CG2-CG2 4.1Å; I126-V191 HydrophobicContact CD1-CG1 4.03Å; I126-V193 HydrophobicContact CD1-CG2 3.33Å
127	A	98.3	Very high	96.4	Very high	3 Å²	3	49.9 Å²	49.9	3%	0.025	26%	0.258	C	S	.	.	H	α-helix	trans	-57.3	-47.8	172.6	0	0	0	0	0	111.1	F123 E124 A129 F130 Q131 E132 V134 P164	F123-A127 WeakPolarHBondContact O-CB 3.15Å; F123-A127 PolarHBondContact O-N 2.85Å; E124-A127 WeakPolarHBondContact O-CB 3.2Å; E124-A127 PolarHBondContact O-N 2.8Å; A127-A129 PolarHBondContact O-N 2.89Å; A127-F130 CarbonylContact O-C 3.52Å; A127-F130 PolarHBondContact O-N 2.83Å; A127-Q131 PolarHBondContact O-N 3.45Å; A127-E132 CarbonylContact C-O 3.49Å; A127-E132 HydrophobicContact CB-CG 4.17Å; A127-E132 WeakPolarHBondContact CB-O 3.35Å; A127-E132 PolarHBondContact O-N 2.88Å; A127-V134 HydrophobicContact CB-CG1 3.7Å; A127-P164 HydrophobicContact CB-CB 3.97Å; A127-P164 HydrophobicContact CB-CG 3.88Å
128	A	98.3	Very high	96.6	Very high	43 Å²	43	50.7 Å²	50.7	36%	0.355	26%	0.264	S	S	.	.	H	α-helix	trans	-61	-41.5	175.7	0	0	0	0	0	112.8	H91 A95 E124 S125 I126 F130 Q131	H91-A128 WeakPolarHBondContact NE2-CB 3Å; A95-A128 HydrophobicContact CB-CB 4.31Å; E124-A128 PolarHBondContact O-N 3.38Å; S125-A128 PolarHBondContact O-N 3.32Å; I126-A128 VanDerWaalsContact C-N 3.34Å; I126-A128 PolarHBondContact O-N 3.47Å; A128-F130 PolarHBondContact O-N 3.36Å; A128-Q131 PolarHBondContact O-N 2.86Å
129	A	98.2	Very high	96.9	Very high	15 Å²	15	46.4 Å²	46.4	12%	0.124	25%	0.247	C	C	.	.	H	α-helix	trans	-57.4	-35.5	176.5	0	0	0	0	0	112.8	A95 V98 V99 S125 I126 A127	A95-A129 HydrophobicContact CB-CB 4.24Å; A95-A129 WeakPolarHBondContact O-CB 3.27Å; V98-A129 HydrophobicContact CB-CB 3.93Å; V98-A129 HydrophobicContact CG1-CB 3.7Å; V99-A129 HydrophobicContact CG2-CB 3.86Å; V99-A129 WeakPolarHBondContact CG2-O 3.03Å; S125-A129 WeakPolarHBondContact O-CB 3.31Å; S125-A129 PolarHBondContact O-N 3.48Å; I126-A129 WeakPolarHBondContact O-CB 3.46Å; I126-A129 PolarHBondContact O-N 3.02Å; A127-A129 PolarHBondContact O-N 2.89Å
130	F	98	Very high	97.2	Very high	16 Å²	16	43.6 Å²	43.6	7%	0.07	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	9.3	-178.9	-62	-44.6	0	0	0	114.7	V98 I126 A127 A128 E132 V188 V191	V98-F130 HydrophobicContact CG1-CE1 4.5Å; V98-F130 HydrophobicContact CG1-CE2 4.14Å; V98-F130 HydrophobicContact CG1-CZ 3.89Å; I126-F130 HydrophobicContact CG2-CD2 3.89Å; I126-F130 HydrophobicContact CG2-CE2 3.87Å; I126-F130 WeakPolarHBondContact O-CD2 3.42Å; I126-F130 PolarHBondContact O-N 2.99Å; I126-F130 VanDerWaalsContact O-N 3.16Å; A127-F130 CarbonylContact O-C 3.52Å; A127-F130 PolarHBondContact O-N 2.83Å; A128-F130 PolarHBondContact O-N 3.36Å; F130-E132 VanDerWaalsContact C-N 3.3Å; F130-E132 HydrophobicContact CB-CG 4.45Å; F130-E132 PolarHBondContact O-N 3.2Å; F130-V188 HydrophobicContact CD2-CB 4.35Å; F130-V188 HydrophobicContact CD2-CG1 3.48Å; F130-V188 VanDerWaalsContact CD2-CG1 3.48Å; F130-V188 HydrophobicContact CE2-CB 4.23Å; F130-V188 HydrophobicContact CE2-CG1 3.75Å; F130-V191 HydrophobicContact CE2-CG2 3.81Å; F130-V191 HydrophobicContact CZ-CG2 3.67Å
131	Q	97.5	Very high	97.1	Very high	189 Å²	189	44.2 Å²	44.2	88%	0.883	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	57	42.1	178.6	-56	177.2	-9.3	0	0	112.6	A127 A128	A127-Q131 PolarHBondContact O-N 3.45Å; A128-Q131 PolarHBondContact O-N 2.86Å
132	E	97	Very high	97	Very high	40 Å²	40	47.9 Å²	47.9	19%	0.187	25%	0.253	C	S	.	.			trans	-123.8	165.5	174.1	64.5	-175.1	168.7	0	0	111.3	A127 F130 P164 S166 V188	A127-E132 CarbonylContact C-O 3.49Å; A127-E132 HydrophobicContact CB-CG 4.17Å; A127-E132 WeakPolarHBondContact CB-O 3.35Å; A127-E132 PolarHBondContact O-N 2.88Å; F130-E132 VanDerWaalsContact C-N 3.3Å; F130-E132 HydrophobicContact CB-CG 4.45Å; F130-E132 PolarHBondContact O-N 3.2Å; E132-P164 HydrophobicContact CG-CB 3.93Å; E132-P164 WeakPolarHBondContact OE1-CB 3.27Å; E132-S166 VanDerWaalsContact CD-OG 3.27Å; E132-S166 PolarHBondContact OE1-OG 2.96Å; E132-S166 VanDerWaalsContact OE2-CB 3.22Å; E132-S166 WeakPolarHBondContact OE2-CB 3.43Å; E132-S166 PolarHBondContact OE2-N 2.95Å; E132-S166 PolarHBondContact OE2-OG 3.27Å; E132-V188 WeakPolarHBondContact OE1-CG1 3.22Å
133	E	96.7	Very high	96.7	Very high	121 Å²	121	48.7 Å²	48.7	57%	0.565	26%	0.257	S	S	*	.			trans	-92	158.4	175.4	-63.5	174.2	159.4	0	0	110.5	R165	E133-R165 WeakPolarHBondContact O-CG 3.08Å; E133-R165 PolarHBondContact O-N 3.33Å; E133-R165 IonicContact OE2-CZ 2.72Å; E133-R165 IonicContact OE2-NE 3.25Å; E133-R165 PolarHBondContact OE2-NE 3.15Å; E133-R165 IonicContact OE2-NH2 2.77Å; E133-R165 PolarHBondContact OE2-NH2 3.49Å
134	V	97.1	Very high	96.5	Very high	43 Å²	43	47.9 Å²	47.9	26%	0.261	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	147.9	164.2	-66.4	0	0	0	0	110.6	E124 A127 M162 V163	E124-V134 HydrophobicContact CG-CG1 4.35Å; E124-V134 HydrophobicContact CG-CG2 4.5Å; A127-V134 HydrophobicContact CB-CG1 3.7Å; V134-M162 HydrophobicContact CB-CB 4.44Å; V134-M162 HydrophobicContact CB-CE 4.37Å; V134-M162 HydrophobicContact CG2-CE 3.9Å; V134-V163 CarbonylContact C-O 3.38Å; V134-V163 VanDerWaalsContact CA-O 3.27Å; V134-V163 WeakPolarHBondContact CA-O 3.32Å
135	Y	96.2	Very high	96.2	Very high	54 Å²	54	50.2 Å²	50.2	21%	0.212	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	155.3	176.4	82.9	-72.6	0	0	0	110.6	H137 M162 V163 R165	Y135-H137 HydrophobicContact CE2-CB 4.37Å; Y135-H137 AromaticContact CZ-CD2 3.97Å; Y135-H137 PolarHBondContact O-N 2.56Å; Y135-H137 VanDerWaalsContact O-N 3.17Å; Y135-H137 PolarHBondContact OH-CD2 2.81Å; Y135-M162 WeakPolarHBondContact O-CA 3.47Å; Y135-V163 VanDerWaalsContact CD1-O 3.29Å; Y135-V163 WeakPolarHBondContact CD1-O 3.42Å; Y135-V163 HydrophobicContact CE1-CG2 4.15Å; Y135-V163 PolarHBondContact N-O 3.48Å; Y135-V163 PolarHBondContact O-N 3.4Å; Y135-R165 HydrophobicContact CD1-CB 4.37Å; Y135-R165 HydrophobicContact CD1-CG 3.92Å; Y135-R165 HydrophobicContact CG-CG 4.48Å
136	P	96.1	Very high	95.9	Very high	65 Å²	65	54.8 Å²	54.8	42%	0.422	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	108.2	176.1	28.4	-32.7	0	0	0	109.7	M158 A161 M162	P136-M158 HydrophobicContact CB-CE 4.28Å; P136-A161 WeakPolarHBondContact CA-O 3.2Å; P136-M162 HydrophobicContact CB-SD 3.8Å; P136-M162 HydrophobicContact CG-SD 4.25Å; P136-M162 VanDerWaalsContact N-SD 3.44Å
137	H	97	Very high	95.4	Very high	27 Å²	27	61.5 Å²	61.5	13%	0.125	31%	0.313	C	S	.	.			trans	-72.8	126.6	178.7	-172.5	-62.8	0	0	0	110.4	Y135 D139 L140 T141 A161 V163 L169	Y135-H137 HydrophobicContact CE2-CB 4.37Å; Y135-H137 AromaticContact CZ-CD2 3.97Å; Y135-H137 PolarHBondContact O-N 2.56Å; Y135-H137 VanDerWaalsContact O-N 3.17Å; Y135-H137 PolarHBondContact OH-CD2 2.81Å; H137-D139 IonicContact CE1-OD1 3.08Å; H137-D139 IonicContact CE1-OD2 3.48Å; H137-D139 PolarHBondContact ND1-N 2.9Å; H137-D139 PolarHBondContact O-N 3Å; H137-L140 HydrophobicContact CB-CB 4.27Å; H137-L140 HydrophobicContact CB-CD1 4.11Å; H137-L140 HydrophobicContact CB-CG 4.14Å; H137-L140 PolarHBondContact O-N 2.9Å; H137-T141 PolarHBondContact O-N 2.82Å; H137-T141 PolarHBondContact O-OG1 2.89Å; H137-A161 PolarHBondContact N-O 2.87Å; H137-V163 HydrophobicContact CB-CG2 3.66Å; H137-L169 WeakPolarHBondContact CE1-CD1 3.32Å
138	P	95.4	Very high	94.9	Very high	87 Å²	87	66 Å²	66	57%	0.565	33%	0.332	S	S	*	.	H	α-helix	trans	-50.2	-50.4	-174.5	-29.5	34.9	0	0	0	114.5	L140 T141 Q142	P138-L140 VanDerWaalsContact C-N 3.32Å; P138-L140 PolarHBondContact O-N 3.12Å; P138-T141 WeakPolarHBondContact O-CB 3.46Å; P138-T141 PolarHBondContact O-N 2.92Å; P138-Q142 PolarHBondContact O-N 2.9Å
139	D	95.2	Very high	94.4	Very high	77 Å²	77	67 Å²	67	41%	0.412	35%	0.347	S	S	.	.	H	α-helix	trans	-62.2	-36.4	179.4	-60.4	13.4	0	0	0	113.1	H137 L143 L169	H137-D139 IonicContact CE1-OD1 3.08Å; H137-D139 IonicContact CE1-OD2 3.48Å; H137-D139 PolarHBondContact ND1-N 2.9Å; H137-D139 PolarHBondContact O-N 3Å; D139-L143 WeakPolarHBondContact O-CG 3.21Å; D139-L143 PolarHBondContact O-N 2.89Å; D139-L143 VanDerWaalsContact O-N 3.14Å; D139-L169 HydrophobicContact CB-CD1 3.79Å
140	L	95.4	Very high	93.8	Very high	10 Å²	10	67.9 Å²	67.9	5%	0.052	35%	0.35	C	S	.	.	H	α-helix	trans	-75.3	-38.2	178.4	-63.1	-178.1	0	0	0	111.2	H137 P138 Q142 L143 V144 A161 V163 L169 P184 V186	H137-L140 HydrophobicContact CB-CB 4.27Å; H137-L140 HydrophobicContact CB-CD1 4.11Å; H137-L140 HydrophobicContact CB-CG 4.14Å; H137-L140 PolarHBondContact O-N 2.9Å; P138-L140 VanDerWaalsContact C-N 3.32Å; P138-L140 PolarHBondContact O-N 3.12Å; L140-Q142 VanDerWaalsContact C-N 3.29Å; L140-Q142 PolarHBondContact O-N 2.87Å; L140-L143 HydrophobicContact CD2-CD1 4.18Å; L140-L143 WeakPolarHBondContact O-CB 3.3Å; L140-L143 PolarHBondContact O-N 2.83Å; L140-L143 VanDerWaalsContact O-N 3.14Å; L140-V144 WeakPolarHBondContact O-CG2 3.37Å; L140-V144 PolarHBondContact O-N 2.81Å; L140-A161 HydrophobicContact CB-CB 3.75Å; L140-V163 HydrophobicContact CD1-CG1 3.52Å; L140-V163 HydrophobicContact CD1-CG2 4.32Å; L140-L169 HydrophobicContact CD1-CD2 3.99Å; L140-L169 HydrophobicContact CD2-CD1 4.16Å; L140-L169 HydrophobicContact CD2-CD2 4.16Å; L140-L169 HydrophobicContact CG-CD1 4.11Å; L140-L169 HydrophobicContact CG-CD2 4.1Å; L140-P184 HydrophobicContact CD2-CG 3.55Å; L140-V186 HydrophobicContact CD1-CG2 4.31Å
141	T	94.9	Very high	93.1	Very high	39 Å²	39	72.1 Å²	72.1	24%	0.239	38%	0.378	C	S	.	.	H	α-helix	trans	-57.6	-45.1	173	-59.7	0	0	0	0	110.7	H137 P138 L143 V144 E145 M158	H137-T141 PolarHBondContact O-N 2.82Å; H137-T141 PolarHBondContact O-OG1 2.89Å; P138-T141 WeakPolarHBondContact O-CB 3.46Å; P138-T141 PolarHBondContact O-N 2.92Å; T141-L143 VanDerWaalsContact C-N 3.33Å; T141-L143 PolarHBondContact O-N 2.88Å; T141-V144 PolarHBondContact O-N 2.92Å; T141-E145 PolarHBondContact O-N 2.91Å; T141-M158 HydrophobicContact CG2-CE 3.73Å; T141-M158 HydrophobicContact CG2-SD 4.15Å
142	Q	94.3	Very high	92.6	Very high	107 Å²	107	67.6 Å²	67.6	50%	0.5	36%	0.359	S	S	.	.	H	α-helix	trans	-61.2	-42	175.4	-175.5	-177.6	-14.8	0	0	111.7	P138 L140 V144 E145 E146	P138-Q142 PolarHBondContact O-N 2.9Å; L140-Q142 VanDerWaalsContact C-N 3.29Å; L140-Q142 PolarHBondContact O-N 2.87Å; Q142-V144 VanDerWaalsContact C-N 3.34Å; Q142-V144 PolarHBondContact O-N 2.74Å; Q142-E145 PolarHBondContact O-N 3.34Å; Q142-E146 HydrophobicContact CG-CG 4.41Å; Q142-E146 PolarHBondContact NE2-OE1 2.93Å; Q142-E146 WeakPolarHBondContact O-CB 3.41Å; Q142-E146 VanDerWaalsContact O-CG 3.31Å; Q142-E146 WeakPolarHBondContact O-CG 3.32Å; Q142-E146 PolarHBondContact O-N 2.86Å
143	L	93.1	Very high	91.9	Very high	17 Å²	17	69.4 Å²	69.4	9%	0.089	38%	0.381	C	S	.	.	H	α-helix	trans	-63.7	-39.2	176.6	-72.6	173	0	0	0	112.5	D139 L140 T141 E146 Y147 R182 Y183	D139-L143 WeakPolarHBondContact O-CG 3.21Å; D139-L143 PolarHBondContact O-N 2.89Å; D139-L143 VanDerWaalsContact O-N 3.14Å; L140-L143 HydrophobicContact CD2-CD1 4.18Å; L140-L143 WeakPolarHBondContact O-CB 3.3Å; L140-L143 PolarHBondContact O-N 2.83Å; L140-L143 VanDerWaalsContact O-N 3.14Å; T141-L143 VanDerWaalsContact C-N 3.33Å; T141-L143 PolarHBondContact O-N 2.88Å; L143-E146 PolarHBondContact O-N 3.36Å; L143-Y147 VanDerWaalsContact O-CB 3.27Å; L143-Y147 WeakPolarHBondContact O-CB 3.33Å; L143-Y147 PolarHBondContact O-N 2.85Å; L143-R182 WeakPolarHBondContact CD1-O 3.49Å; L143-R182 HydrophobicContact CD2-CG 3.84Å; L143-Y183 HydrophobicContact CB-CE1 4.21Å; L143-Y183 HydrophobicContact CD1-CD1 4.3Å
144	V	92.1	Very high	91.3	Very high	2 Å²	2	70.8 Å²	70.8	1%	0.012	39%	0.392	C	S	.	.	H	α-helix	trans	-63.3	-45.7	174.9	169.3	0	0	0	0	110.5	L140 T141 Q142 Y147 F148 A157 M158 L160 A161	L140-V144 WeakPolarHBondContact O-CG2 3.37Å; L140-V144 PolarHBondContact O-N 2.81Å; T141-V144 PolarHBondContact O-N 2.92Å; Q142-V144 VanDerWaalsContact C-N 3.34Å; Q142-V144 PolarHBondContact O-N 2.74Å; V144-Y147 PolarHBondContact O-N 2.9Å; V144-F148 HydrophobicContact CB-CD2 4.48Å; V144-F148 HydrophobicContact CG1-CD2 4.05Å; V144-F148 WeakPolarHBondContact O-CB 3.08Å; V144-F148 PolarHBondContact O-N 3.14Å; V144-A157 HydrophobicContact CG1-CB 3.98Å; V144-M158 HydrophobicContact CG1-SD 4.01Å; V144-L160 HydrophobicContact CG2-CB 4Å; V144-A161 HydrophobicContact CG2-CB 4.24Å
145	E	92.5	Very high	90.9	Very high	98 Å²	98	70 Å²	70	46%	0.458	39%	0.389	S	S	.	.	H	α-helix	trans	-60.3	-47.7	176.1	-177.8	178	-176.4	0	0	111.4	T141 Q142 Y147 G149 V150 T151	T141-E145 PolarHBondContact O-N 2.91Å; Q142-E145 PolarHBondContact O-N 3.34Å; E145-Y147 VanDerWaalsContact C-N 3.31Å; E145-Y147 PolarHBondContact O-N 3.39Å; E145-G149 WeakPolarHBondContact O-CA 3.41Å; E145-G149 PolarHBondContact O-N 2.86Å; E145-V150 WeakPolarHBondContact CA-O 3.39Å; E145-T151 HydrophobicContact CG-CG2 3.68Å; E145-T151 VanDerWaalsContact OE1-CG2 3.25Å; E145-T151 WeakPolarHBondContact OE1-CG2 3.46Å
146	E	91.4	Very high	90.6	Very high	97 Å²	97	71.9 Å²	71.9	45%	0.453	41%	0.408	S	S	.	.	H	α-helix	trans	-65.3	-31.8	-179.5	-73.8	177.2	-169.6	0	0	113.7	Q142 L143 R182	Q142-E146 HydrophobicContact CG-CG 4.41Å; Q142-E146 PolarHBondContact NE2-OE1 2.93Å; Q142-E146 WeakPolarHBondContact O-CB 3.41Å; Q142-E146 VanDerWaalsContact O-CG 3.31Å; Q142-E146 WeakPolarHBondContact O-CG 3.32Å; Q142-E146 PolarHBondContact O-N 2.86Å; L143-E146 PolarHBondContact O-N 3.36Å; E146-R182 IonicContact OE2-CZ 2.78Å; E146-R182 IonicContact OE2-NE 3.97Å; E146-R182 IonicContact OE2-NH2 2.74Å; E146-R182 PolarHBondContact OE2-NH2 3.39Å
147	Y	88.4	Confident	90.3	Very high	142 Å²	142	69.4 Å²	69.4	56%	0.557	39%	0.393	S	S	*	.	H	α-helix	trans	-93.2	-41.1	-174.7	-165.6	-91.8	0	0	0	112.9	L143 V144 E145 Y183	L143-Y147 VanDerWaalsContact O-CB 3.27Å; L143-Y147 WeakPolarHBondContact O-CB 3.33Å; L143-Y147 PolarHBondContact O-N 2.85Å; V144-Y147 PolarHBondContact O-N 2.9Å; E145-Y147 VanDerWaalsContact C-N 3.31Å; E145-Y147 PolarHBondContact O-N 3.39Å; Y147-Y183 WeakPolarHBondContact CB-OH 3.21Å; Y147-Y183 HydrophobicContact CD2-CE2 4.29Å; Y147-Y183 WeakPolarHBondContact CD2-OH 3.48Å
148	F	88.1	Confident	90	Very high	96 Å²	96	68.8 Å²	68.8	42%	0.421	39%	0.39	S	S	.	.	H	α-helix	trans	-103.5	-13.3	-176.6	-61	-76.9	0	0	0	113.4	V144 V150 A157 L160	V144-F148 HydrophobicContact CB-CD2 4.48Å; V144-F148 HydrophobicContact CG1-CD2 4.05Å; V144-F148 WeakPolarHBondContact O-CB 3.08Å; V144-F148 PolarHBondContact O-N 3.14Å; F148-V150 VanDerWaalsContact C-N 3.26Å; F148-V150 HydrophobicContact CB-CB 4.37Å; F148-V150 HydrophobicContact CB-CG2 3.96Å; F148-V150 PolarHBondContact O-N 2.95Å; F148-A157 HydrophobicContact CB-CB 4.49Å; F148-A157 HydrophobicContact CD2-CB 4.23Å; F148-A157 HydrophobicContact CG-CB 4.28Å; F148-L160 HydrophobicContact CE2-CD1 3.64Å; F148-L160 HydrophobicContact CZ-CD1 3.91Å
149	G	88.4	Confident	89.9	Confident	65 Å²	65	66.6 Å²	66.6	67%	0.67	37%	0.372	S	S	*	.			trans	69.5	24.3	-175.6	0	0	0	0	0	113.3	E145	E145-G149 WeakPolarHBondContact O-CA 3.41Å; E145-G149 PolarHBondContact O-N 2.86Å
150	V	85.2	Confident	89.8	Confident	34 Å²	34	65 Å²	65	21%	0.206	36%	0.363	C	S	.	.			trans	-110.8	128	-173.3	174.6	0	0	0	0	110.1	E145 F148 D152 S155	E145-V150 WeakPolarHBondContact CA-O 3.39Å; F148-V150 VanDerWaalsContact C-N 3.26Å; F148-V150 HydrophobicContact CB-CB 4.37Å; F148-V150 HydrophobicContact CB-CG2 3.96Å; F148-V150 PolarHBondContact O-N 2.95Å; V150-D152 HydrophobicContact CG1-CB 4.47Å; V150-S155 WeakPolarHBondContact CG1-OG 3.44Å
151	T	83.5	Confident	89.7	Confident	104 Å²	104	64.5 Å²	64.5	64%	0.638	36%	0.361	S	S	*	.			trans	-117.4	-7.1	173.1	52.7	0	0	0	0	113.3	E145 A153	E145-T151 HydrophobicContact CG-CG2 3.68Å; E145-T151 VanDerWaalsContact OE1-CG2 3.25Å; E145-T151 WeakPolarHBondContact OE1-CG2 3.46Å; T151-A153 PolarHBondContact O-N 3.02Å
152	D	87.3	Confident	89.8	Confident	94 Å²	94	65.1 Å²	65.1	50%	0.503	36%	0.361	S	S	.	.			trans	-71.4	123.1	178.9	-176.8	11.2	0	0	0	110.9	V150 D154 S155 M158	V150-D152 HydrophobicContact CG1-CB 4.47Å; D152-D154 PolarHBondContact O-N 2.94Å; D152-D154 PolarHBondContact OD1-N 3.49Å; D152-S155 WeakPolarHBondContact O-CB 3.33Å; D152-S155 PolarHBondContact O-N 2.97Å; D152-M158 WeakPolarHBondContact O-CG 3.43Å
153	A	81.4	Confident	90	Very high	78 Å²	78	60 Å²	60	65%	0.645	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-27.8	-177.6	0	0	0	0	0	113	T151 S155	T151-A153 PolarHBondContact O-N 3.02Å; A153-S155 VanDerWaalsContact C-N 3.32Å
154	D	84.8	Confident	90.2	Very high	150 Å²	150	59.2 Å²	59.2	80%	0.802	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-1.8	-178.1	-66.8	-34.6	0	0	0	113.1	D152	D152-D154 PolarHBondContact O-N 2.94Å; D152-D154 PolarHBondContact OD1-N 3.49Å
155	S	88.6	Confident	90.5	Very high	27 Å²	27	65.7 Å²	65.7	19%	0.189	36%	0.357	C	S	.	.	S	Bend	trans	-67.9	139.8	178.9	178.8	0	0	0	0	111.9	V150 D152 A153 A157 M158	V150-S155 WeakPolarHBondContact CG1-OG 3.44Å; D152-S155 WeakPolarHBondContact O-CB 3.33Å; D152-S155 PolarHBondContact O-N 2.97Å; A153-S155 VanDerWaalsContact C-N 3.32Å; S155-A157 PolarHBondContact O-N 3.36Å; S155-A157 PolarHBondContact OG-N 2.89Å; S155-M158 WeakPolarHBondContact O-CB 3.24Å; S155-M158 PolarHBondContact O-N 3.38Å
156	P	88.8	Confident	90.7	Very high	93 Å²	93	63.7 Å²	63.7	60%	0.604	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-54.1	-28.9	172.9	-26.6	34.7	0	0	0	113.8	P116 M158 K159	P116-P156 WeakPolarHBondContact CB-O 3.34Å; P156-M158 VanDerWaalsContact C-N 3.26Å; P156-M158 PolarHBondContact O-N 3.03Å; P156-K159 WeakPolarHBondContact O-CB 3.45Å; P156-K159 PolarHBondContact O-N 2.86Å
157	A	90.1	Very high	91	Very high	13 Å²	13	59.7 Å²	59.7	11%	0.107	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-65.1	-29.7	177.9	0	0	0	0	0	112.8	V144 F148 S155 K159 L160	V144-A157 HydrophobicContact CG1-CB 3.98Å; F148-A157 HydrophobicContact CB-CB 4.49Å; F148-A157 HydrophobicContact CD2-CB 4.23Å; F148-A157 HydrophobicContact CG-CB 4.28Å; S155-A157 PolarHBondContact O-N 3.36Å; S155-A157 PolarHBondContact OG-N 2.89Å; A157-K159 PolarHBondContact O-N 3.15Å; A157-L160 WeakPolarHBondContact O-CB 3.4Å; A157-L160 PolarHBondContact O-N 3.28Å; A157-L160 VanDerWaalsContact O-N 3.15Å
158	M	91.4	Very high	91.5	Very high	14 Å²	14	59.8 Å²	59.8	7%	0.069	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-66.4	-19	178.3	-77.6	-59.8	-59	0	0	113	P136 T141 V144 D152 S155 P156 L160 A161 M162	P136-M158 HydrophobicContact CB-CE 4.28Å; T141-M158 HydrophobicContact CG2-CE 3.73Å; T141-M158 HydrophobicContact CG2-SD 4.15Å; V144-M158 HydrophobicContact CG1-SD 4.01Å; D152-M158 WeakPolarHBondContact O-CG 3.43Å; S155-M158 WeakPolarHBondContact O-CB 3.24Å; S155-M158 PolarHBondContact O-N 3.38Å; P156-M158 VanDerWaalsContact C-N 3.26Å; P156-M158 PolarHBondContact O-N 3.03Å; M158-L160 PolarHBondContact O-N 3.25Å; M158-A161 HydrophobicContact CE-CB 4.16Å; M158-A161 WeakPolarHBondContact O-CA 3.41Å; M158-A161 WeakPolarHBondContact O-CB 3.31Å; M158-A161 PolarHBondContact O-N 3.09Å; M158-M162 WeakPolarHBondContact O-CG 3.5Å; M158-M162 PolarHBondContact O-N 3.47Å
159	K	92.8	Very high	91.9	Very high	41 Å²	41	56.7 Å²	56.7	18%	0.178	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-56	-34.2	172.1	-166.3	175.8	-178.1	-175.9	0	112.4	T117 D120 E124 P156 A157 A161 M162	T117-K159 PolarHBondContact O-NZ 3.03Å; D120-K159 WeakPolarHBondContact O-CE 3.12Å; D120-K159 PolarHBondContact O-NZ 3.41Å; E124-K159 WeakPolarHBondContact OE1-CE 3.35Å; E124-K159 IonicContact OE1-NZ 2.59Å; P156-K159 WeakPolarHBondContact O-CB 3.45Å; P156-K159 PolarHBondContact O-N 2.86Å; A157-K159 PolarHBondContact O-N 3.15Å; K159-A161 PolarHBondContact O-N 2.99Å; K159-A161 VanDerWaalsContact O-N 3.17Å; K159-M162 WeakPolarHBondContact O-CB 3.41Å; K159-M162 PolarHBondContact O-N 3.35Å
160	L	92.4	Very high	92.4	Very high	44 Å²	44	54.9 Å²	54.9	23%	0.23	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-65	-17.2	176	-62.1	172.5	0	0	0	113.4	V114 P116 V144 F148 A157 M158	V114-L160 WeakPolarHBondContact O-CD2 3.49Å; P116-L160 HydrophobicContact CB-CG 4.44Å; V144-L160 HydrophobicContact CG2-CB 4Å; F148-L160 HydrophobicContact CE2-CD1 3.64Å; F148-L160 HydrophobicContact CZ-CD1 3.91Å; A157-L160 WeakPolarHBondContact O-CB 3.4Å; A157-L160 PolarHBondContact O-N 3.28Å; A157-L160 VanDerWaalsContact O-N 3.15Å; M158-L160 PolarHBondContact O-N 3.25Å
161	A	95.3	Very high	92.9	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-98.7	-9.1	175.6	0	0	0	0	0	113.5	P136 H137 L140 V144 M158 K159 V163	P136-A161 WeakPolarHBondContact CA-O 3.2Å; H137-A161 PolarHBondContact N-O 2.87Å; L140-A161 HydrophobicContact CB-CB 3.75Å; V144-A161 HydrophobicContact CG2-CB 4.24Å; M158-A161 HydrophobicContact CE-CB 4.16Å; M158-A161 WeakPolarHBondContact O-CA 3.41Å; M158-A161 WeakPolarHBondContact O-CB 3.31Å; M158-A161 PolarHBondContact O-N 3.09Å; K159-A161 PolarHBondContact O-N 2.99Å; K159-A161 VanDerWaalsContact O-N 3.17Å; A161-V163 PolarHBondContact O-N 3.34Å
162	M	96.3	Very high	93.3	Very high	51 Å²	51	50.6 Å²	50.6	25%	0.251	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	109.2	179.9	-62.4	-60.3	-71.2	0	0	110	V134 Y135 P136 M158 K159	V134-M162 HydrophobicContact CB-CB 4.44Å; V134-M162 HydrophobicContact CB-CE 4.37Å; V134-M162 HydrophobicContact CG2-CE 3.9Å; Y135-M162 WeakPolarHBondContact O-CA 3.47Å; P136-M162 HydrophobicContact CB-SD 3.8Å; P136-M162 HydrophobicContact CG-SD 4.25Å; P136-M162 VanDerWaalsContact N-SD 3.44Å; M158-M162 WeakPolarHBondContact O-CG 3.5Å; M158-M162 PolarHBondContact O-N 3.47Å; K159-M162 WeakPolarHBondContact O-CB 3.41Å; K159-M162 PolarHBondContact O-N 3.35Å
163	V	97.9	Very high	93.5	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	158.3	-178.5	-64.1	0	0	0	0	111.1	F123 V134 Y135 H137 L140 A161 A167 V186	F123-V163 HydrophobicContact CD1-CG1 4.37Å; F123-V163 HydrophobicContact CD2-CG1 4.38Å; F123-V163 HydrophobicContact CE1-CG1 4.35Å; F123-V163 HydrophobicContact CE2-CG1 4.34Å; F123-V163 HydrophobicContact CG-CG1 4.42Å; F123-V163 HydrophobicContact CZ-CG1 4.33Å; V134-V163 CarbonylContact C-O 3.38Å; V134-V163 VanDerWaalsContact CA-O 3.27Å; V134-V163 WeakPolarHBondContact CA-O 3.32Å; Y135-V163 VanDerWaalsContact CD1-O 3.29Å; Y135-V163 WeakPolarHBondContact CD1-O 3.42Å; Y135-V163 HydrophobicContact CE1-CG2 4.15Å; Y135-V163 PolarHBondContact N-O 3.48Å; Y135-V163 PolarHBondContact O-N 3.4Å; H137-V163 HydrophobicContact CB-CG2 3.66Å; L140-V163 HydrophobicContact CD1-CG1 3.52Å; L140-V163 HydrophobicContact CD1-CG2 4.32Å; A161-V163 PolarHBondContact O-N 3.34Å; V163-A167 HydrophobicContact CB-CB 3.99Å; V163-A167 HydrophobicContact CG2-CB 3.82Å; V163-V186 HydrophobicContact CB-CG1 4.29Å; V163-V186 HydrophobicContact CG1-CG1 4.09Å; V163-V186 HydrophobicContact CG1-CG2 3.85Å
164	P	98.2	Very high	93.8	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	146	177.5	-24.7	36.5	0	0	0	112.4	F123 I126 A127 E132 S166 A167 V188	F123-P164 WeakPolarHBondContact O-CG 3.36Å; I126-P164 HydrophobicContact CB-CG 4.47Å; I126-P164 HydrophobicContact CG2-CG 4.19Å; A127-P164 HydrophobicContact CB-CB 3.97Å; A127-P164 HydrophobicContact CB-CG 3.88Å; E132-P164 HydrophobicContact CG-CB 3.93Å; E132-P164 WeakPolarHBondContact OE1-CB 3.27Å; P164-S166 PolarHBondContact O-N 2.96Å; P164-S166 VanDerWaalsContact O-N 3.11Å; P164-A167 WeakPolarHBondContact O-CB 3.31Å; P164-A167 PolarHBondContact O-N 3.1Å; P164-V188 HydrophobicContact CB-CG2 3.89Å; P164-V188 HydrophobicContact CG-CG2 3.86Å
165	R	97.3	Very high	93.6	Very high	139 Å²	139	45.8 Å²	45.8	53%	0.525	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-35.7	-174.3	-79.9	-176.1	-173.1	-76.2	1.2	115	E133 Y135 A167	E133-R165 WeakPolarHBondContact O-CG 3.08Å; E133-R165 PolarHBondContact O-N 3.33Å; E133-R165 IonicContact OE2-CZ 2.72Å; E133-R165 IonicContact OE2-NE 3.25Å; E133-R165 PolarHBondContact OE2-NE 3.15Å; E133-R165 IonicContact OE2-NH2 2.77Å; E133-R165 PolarHBondContact OE2-NH2 3.49Å; Y135-R165 HydrophobicContact CD1-CB 4.37Å; Y135-R165 HydrophobicContact CD1-CG 3.92Å; Y135-R165 HydrophobicContact CG-CG 4.48Å; R165-A167 VanDerWaalsContact C-N 3.3Å
166	S	97.4	Very high	93.4	Very high	56 Å²	56	53.2 Å²	53.2	39%	0.392	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	10.5	179.5	66.8	0	0	0	0	114.7	E132 P164 V188	E132-S166 VanDerWaalsContact CD-OG 3.27Å; E132-S166 PolarHBondContact OE1-OG 2.96Å; E132-S166 VanDerWaalsContact OE2-CB 3.22Å; E132-S166 WeakPolarHBondContact OE2-CB 3.43Å; E132-S166 PolarHBondContact OE2-N 2.95Å; E132-S166 PolarHBondContact OE2-OG 3.27Å; P164-S166 PolarHBondContact O-N 2.96Å; P164-S166 VanDerWaalsContact O-N 3.11Å; S166-V188 WeakPolarHBondContact OG-CG1 3.39Å
167	A	97.9	Very high	93.4	Very high	13 Å²	13	52.6 Å²	52.6	11%	0.107	27%	0.266	C	S	.	.			trans	-58.5	143.1	-179.2	0	0	0	0	0	113.6	V163 P164 R165 V186 S187 V188	V163-A167 HydrophobicContact CB-CB 3.99Å; V163-A167 HydrophobicContact CG2-CB 3.82Å; P164-A167 WeakPolarHBondContact O-CB 3.31Å; P164-A167 PolarHBondContact O-N 3.1Å; R165-A167 VanDerWaalsContact C-N 3.3Å; A167-V186 HydrophobicContact CB-CG1 3.83Å; A167-S187 CarbonylContact C-O 3.53Å; A167-S187 WeakPolarHBondContact CA-O 3.49Å; A167-V188 HydrophobicContact CB-CG2 4.23Å
168	K	98.1	Very high	93.4	Very high	144 Å²	144	54.7 Å²	54.7	63%	0.626	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.8	136.9	169	-63	-178.1	-178.2	178.1	0	109.4	N170 V186 S187	K168-N170 PolarHBondContact O-ND2 3.4Å; K168-V186 WeakPolarHBondContact O-CA 3.46Å; K168-S187 PolarHBondContact N-O 3.25Å; K168-S187 PolarHBondContact O-N 3.31Å
169	L	97.8	Very high	93.3	Very high	31 Å²	31	61.2 Å²	61.2	16%	0.162	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	115.8	176.1	-56.9	-171.7	0	0	0	110.1	H137 D139 L140 Y171 P184 V186	H137-L169 WeakPolarHBondContact CE1-CD1 3.32Å; D139-L169 HydrophobicContact CB-CD1 3.79Å; L140-L169 HydrophobicContact CD1-CD2 3.99Å; L140-L169 HydrophobicContact CD2-CD1 4.16Å; L140-L169 HydrophobicContact CD2-CD2 4.16Å; L140-L169 HydrophobicContact CG-CD1 4.11Å; L140-L169 HydrophobicContact CG-CD2 4.1Å; L169-Y171 HydrophobicContact CB-CD2 4.31Å; L169-Y171 HydrophobicContact CB-CE2 3.62Å; L169-Y171 HydrophobicContact CD1-CE2 4.38Å; L169-P184 HydrophobicContact CB-CB 3.84Å; L169-P184 HydrophobicContact CB-CG 3.99Å; L169-P184 HydrophobicContact CD1-CG 4.19Å; L169-P184 HydrophobicContact CD2-CG 3.96Å; L169-P184 HydrophobicContact CG-CG 4.27Å; L169-V186 HydrophobicContact CD2-CG2 3.86Å
170	N	97.1	Very high	93.3	Very high	27 Å²	27	67.3 Å²	67.3	14%	0.144	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	112.9	-179.5	-52.7	-84.1	0	0	0	109.6	K168 P184 V185 S187 L208 L211	K168-N170 PolarHBondContact O-ND2 3.4Å; N170-P184 CarbonylContact O-C 3.54Å; N170-P184 VanDerWaalsContact O-CA 3.24Å; N170-P184 WeakPolarHBondContact O-CA 3.27Å; N170-P184 WeakPolarHBondContact O-CB 3.19Å; N170-V185 WeakPolarHBondContact CB-O 3.44Å; N170-V185 PolarHBondContact N-O 3.24Å; N170-V185 PolarHBondContact ND2-O 3.41Å; N170-V185 PolarHBondContact O-N 3.17Å; N170-S187 WeakPolarHBondContact ND2-CB 3.22Å; N170-S187 PolarHBondContact ND2-OG 2.99Å; N170-L208 HydrophobicContact CB-CD1 4.24Å; N170-L208 HydrophobicContact CB-CD2 3.97Å; N170-L211 HydrophobicContact CB-CD1 3.87Å
171	Y	95.7	Very high	93.2	Very high	47 Å²	47	66.4 Å²	66.4	18%	0.184	33%	0.333	C	S	.	.			trans	-98.5	116.3	-178.5	-67.8	-97.6	0	0	0	110.3	L169 R180 Q181 P184	L169-Y171 HydrophobicContact CB-CD2 4.31Å; L169-Y171 HydrophobicContact CB-CE2 3.62Å; L169-Y171 HydrophobicContact CD1-CE2 4.38Å; Y171-R180 VanDerWaalsContact CB-NE 3.25Å; Y171-R180 VanDerWaalsContact CG-NE 3.31Å; Y171-Q181 WeakPolarHBondContact CD1-O 3.28Å; Y171-P184 HydrophobicContact CD1-CB 3.97Å; Y171-P184 HydrophobicContact CD2-CB 3.97Å; Y171-P184 HydrophobicContact CE1-CB 3.83Å; Y171-P184 HydrophobicContact CE1-CG 4Å; Y171-P184 HydrophobicContact CE2-CB 3.85Å; Y171-P184 HydrophobicContact CE2-CG 4.3Å; Y171-P184 HydrophobicContact CG-CB 4.05Å
172	G	92.1	Very high	92.9	Very high	0 Å²	0	72.4 Å²	72.4	0%	0	36%	0.356	C	S	.	.			trans	-73.9	165.7	175.6	0	0	0	0	0	112.7	Q181 G207	G172-Q181 WeakPolarHBondContact O-CB 3.35Å; G172-Q181 PolarHBondContact O-N 3.5Å; G172-G207 WeakPolarHBondContact CA-O 3.34Å
173	I	92.9	Very high	92.6	Very high	100 Å²	100	74.3 Å²	74.3	51%	0.513	36%	0.361	S	S	.	.	B	Isolated β-bridge	trans	-109.9	127.3	168.5	-60.6	176.5	0	0	0	107.6	P175 G207	I173-P175 WeakPolarHBondContact O-CD 3.27Å; I173-G207 PolarHBondContact N-O 2.91Å; I173-G207 VanDerWaalsContact N-O 3.17Å; I173-G207 WeakPolarHBondContact O-CA 3.45Å
174	D	87.3	Confident	92.5	Very high	32 Å²	32	75.1 Å²	75.1	17%	0.171	37%	0.367	C	S	.	.			trans	-64.6	118.1	172.4	-174	-42.5	0	0	0	109.1	Q176 T177 G178 K179	D174-Q176 PolarHBondContact O-N 2.89Å; D174-Q176 WeakPolarHBondContact OD1-CA 3.46Å; D174-Q176 WeakPolarHBondContact OD1-CB 3.24Å; D174-Q176 PolarHBondContact OD1-N 3.24Å; D174-T177 PolarHBondContact O-N 3.05Å; D174-T177 PolarHBondContact OD1-N 2.91Å; D174-T177 VanDerWaalsContact OD1-N 3.16Å; D174-G178 WeakPolarHBondContact O-CA 3.43Å; D174-G178 PolarHBondContact O-N 3.23Å; D174-K179 PolarHBondContact N-O 2.93Å
175	P	81.2	Confident	92.5	Very high	89 Å²	89	75.4 Å²	75.4	58%	0.578	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-22.4	-177.3	29.6	-37	0	0	0	113.2	I173 T206	I173-P175 WeakPolarHBondContact O-CD 3.27Å; P175-T206 HydrophobicContact CG-CG2 3.83Å
176	Q	84.1	Confident	92.5	Very high	183 Å²	183	69.1 Å²	69.1	86%	0.855	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-42.1	178.5	-58.3	-173	3.5	0	0	111.4	D174	D174-Q176 PolarHBondContact O-N 2.89Å; D174-Q176 WeakPolarHBondContact OD1-CA 3.46Å; D174-Q176 WeakPolarHBondContact OD1-CB 3.24Å; D174-Q176 PolarHBondContact OD1-N 3.24Å
177	T	88.9	Confident	92.6	Very high	81 Å²	81	66.7 Å²	66.7	50%	0.497	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-12.5	-174.3	78.6	0	0	0	0	114	D174 K179	D174-T177 PolarHBondContact O-N 3.05Å; D174-T177 PolarHBondContact OD1-N 2.91Å; D174-T177 VanDerWaalsContact OD1-N 3.16Å; T177-K179 PolarHBondContact O-N 2.84Å; T177-K179 VanDerWaalsContact O-N 3.17Å; T177-K179 WeakPolarHBondContact OG1-CB 3.34Å; T177-K179 PolarHBondContact OG1-N 3.22Å
178	G	88.9	Confident	92.6	Very high	57 Å²	57	66 Å²	66	59%	0.588	32%	0.323	S	S	*	.			trans	64.8	11.4	-172.8	0	0	0	0	0	114.1	D174	D174-G178 WeakPolarHBondContact O-CA 3.43Å; D174-G178 PolarHBondContact O-N 3.23Å
179	K	90.9	Very high	92.5	Very high	151 Å²	151	67 Å²	67	66%	0.657	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-93	145.4	-176.7	-66.6	-177	179.5	179	0	109.7	D174 T177 Q181	D174-K179 PolarHBondContact N-O 2.93Å; T177-K179 PolarHBondContact O-N 2.84Å; T177-K179 VanDerWaalsContact O-N 3.17Å; T177-K179 WeakPolarHBondContact OG1-CB 3.34Å; T177-K179 PolarHBondContact OG1-N 3.22Å; K179-Q181 PolarHBondContact O-N 2.86Å
180	R	91.9	Very high	92.5	Very high	169 Å²	169	67.1 Å²	67.1	64%	0.638	32%	0.324	S	S	*	.	B	Isolated β-bridge	trans	-60.4	132.2	170.7	-171.6	179	176.7	-174.2	-1.3	109.2	Y171	Y171-R180 VanDerWaalsContact CB-NE 3.25Å; Y171-R180 VanDerWaalsContact CG-NE 3.31Å
181	Q	90.5	Very high	92.6	Very high	24 Å²	24	65.9 Å²	65.9	11%	0.112	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-64.9	140.2	173.9	-68.3	177.8	-9.7	0	0	109.6	Y171 G172 K179 L203	Y171-Q181 WeakPolarHBondContact CD1-O 3.28Å; G172-Q181 WeakPolarHBondContact O-CB 3.35Å; G172-Q181 PolarHBondContact O-N 3.5Å; K179-Q181 PolarHBondContact O-N 2.86Å; Q181-L203 PolarHBondContact NE2-O 3.17Å
182	R	88.1	Confident	92.7	Very high	126 Å²	126	65 Å²	65	48%	0.475	31%	0.313	S	S	.	.	S	Bend	trans	-72.8	-41.6	-174.6	-167.6	172	-173.8	-175.6	0.1	112	L143 E146	L143-R182 WeakPolarHBondContact CD1-O 3.49Å; L143-R182 HydrophobicContact CD2-CG 3.84Å; E146-R182 IonicContact OE2-CZ 2.78Å; E146-R182 IonicContact OE2-NE 3.97Å; E146-R182 IonicContact OE2-NH2 2.74Å; E146-R182 PolarHBondContact OE2-NH2 3.39Å
183	Y	91	Very high	93	Very high	91 Å²	91	65.3 Å²	65.3	36%	0.357	32%	0.315	S	S	.	.	S	Bend	trans	-97	131.9	177.8	-72.7	-84	0	0	0	110.6	L143 Y147	L143-Y183 HydrophobicContact CB-CE1 4.21Å; L143-Y183 HydrophobicContact CD1-CD1 4.3Å; Y147-Y183 WeakPolarHBondContact CB-OH 3.21Å; Y147-Y183 HydrophobicContact CD2-CE2 4.29Å; Y147-Y183 WeakPolarHBondContact CD2-OH 3.48Å
184	P	95.7	Very high	93.3	Very high	18 Å²	18	60.6 Å²	60.6	12%	0.117	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-83.6	157.8	176.4	34.2	-34.2	0	0	0	111.9	L140 L169 N170 Y171	L140-P184 HydrophobicContact CD2-CG 3.55Å; L169-P184 HydrophobicContact CB-CB 3.84Å; L169-P184 HydrophobicContact CB-CG 3.99Å; L169-P184 HydrophobicContact CD1-CG 4.19Å; L169-P184 HydrophobicContact CD2-CG 3.96Å; L169-P184 HydrophobicContact CG-CG 4.27Å; N170-P184 CarbonylContact O-C 3.54Å; N170-P184 VanDerWaalsContact O-CA 3.24Å; N170-P184 WeakPolarHBondContact O-CA 3.27Å; N170-P184 WeakPolarHBondContact O-CB 3.19Å; Y171-P184 HydrophobicContact CD1-CB 3.97Å; Y171-P184 HydrophobicContact CD2-CB 3.97Å; Y171-P184 HydrophobicContact CE1-CB 3.83Å; Y171-P184 HydrophobicContact CE1-CG 4Å; Y171-P184 HydrophobicContact CE2-CB 3.85Å; Y171-P184 HydrophobicContact CE2-CG 4.3Å; Y171-P184 HydrophobicContact CG-CB 4.05Å
185	V	97.4	Very high	93.7	Very high	5 Å²	5	60.6 Å²	60.6	3%	0.03	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	125.8	158.9	169.4	0	0	0	0	108.2	N170 F194 A204 L208	N170-V185 WeakPolarHBondContact CB-O 3.44Å; N170-V185 PolarHBondContact N-O 3.24Å; N170-V185 PolarHBondContact ND2-O 3.41Å; N170-V185 PolarHBondContact O-N 3.17Å; V185-F194 HydrophobicContact CG1-CD2 4.33Å; V185-F194 HydrophobicContact CG1-CE1 4.28Å; V185-F194 HydrophobicContact CG1-CE2 4.08Å; V185-F194 HydrophobicContact CG1-CZ 4.06Å; V185-F194 HydrophobicContact CG2-CD1 3.86Å; V185-F194 HydrophobicContact CG2-CE1 3.65Å; V185-F194 HydrophobicContact CG2-CZ 4.2Å; V185-A204 HydrophobicContact CG2-CB 3.83Å; V185-L208 HydrophobicContact CB-CD1 3.49Å; V185-L208 VanDerWaalsContact CB-CD1 3.49Å; V185-L208 HydrophobicContact CG1-CD1 4.27Å; V185-L208 HydrophobicContact CG2-CD1 3.41Å; V185-L208 VanDerWaalsContact CG2-CD1 3.41Å
186	V	98.3	Very high	94.3	Very high	7 Å²	7	57.8 Å²	57.8	4%	0.042	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	134.3	176.4	176.7	0	0	0	0	108.8	F123 L140 V163 A167 K168 L169 V193	F123-V186 HydrophobicContact CD1-CG1 4.3Å; F123-V186 HydrophobicContact CE1-CB 3.54Å; F123-V186 HydrophobicContact CE1-CG1 3.6Å; F123-V186 HydrophobicContact CE1-CG2 3.96Å; F123-V186 HydrophobicContact CZ-CB 3.8Å; F123-V186 HydrophobicContact CZ-CG1 4.27Å; F123-V186 HydrophobicContact CZ-CG2 3.74Å; L140-V186 HydrophobicContact CD1-CG2 4.31Å; V163-V186 HydrophobicContact CB-CG1 4.29Å; V163-V186 HydrophobicContact CG1-CG1 4.09Å; V163-V186 HydrophobicContact CG1-CG2 3.85Å; A167-V186 HydrophobicContact CB-CG1 3.83Å; K168-V186 WeakPolarHBondContact O-CA 3.46Å; L169-V186 HydrophobicContact CD2-CG2 3.86Å; V186-V193 WeakPolarHBondContact O-CB 3.37Å; V186-V193 PolarHBondContact O-N 2.91Å
187	S	98.3	Very high	94.8	Very high	5 Å²	5	52.5 Å²	52.5	4%	0.035	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	145.9	169.5	68.1	0	0	0	0	112.7	A167 K168 N170 V191	A167-S187 CarbonylContact C-O 3.53Å; A167-S187 WeakPolarHBondContact CA-O 3.49Å; K168-S187 PolarHBondContact N-O 3.25Å; K168-S187 PolarHBondContact O-N 3.31Å; N170-S187 WeakPolarHBondContact ND2-CB 3.22Å; N170-S187 PolarHBondContact ND2-OG 2.99Å; S187-V191 CarbonylContact C-O 3.59Å; S187-V191 WeakPolarHBondContact CA-O 3.39Å; S187-V191 WeakPolarHBondContact CB-O 3.27Å
188	V	98.2	Very high	95.1	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	118.7	175.9	-178.1	0	0	0	0	107.4	I126 F130 E132 P164 S166 A167 N190 V191	I126-V188 HydrophobicContact CG2-CB 4.04Å; I126-V188 HydrophobicContact CG2-CG1 4.36Å; I126-V188 HydrophobicContact CG2-CG2 4.1Å; F130-V188 HydrophobicContact CD2-CB 4.35Å; F130-V188 HydrophobicContact CD2-CG1 3.48Å; F130-V188 VanDerWaalsContact CD2-CG1 3.48Å; F130-V188 HydrophobicContact CE2-CB 4.23Å; F130-V188 HydrophobicContact CE2-CG1 3.75Å; E132-V188 WeakPolarHBondContact OE1-CG1 3.22Å; P164-V188 HydrophobicContact CB-CG2 3.89Å; P164-V188 HydrophobicContact CG-CG2 3.86Å; S166-V188 WeakPolarHBondContact OG-CG1 3.39Å; A167-V188 HydrophobicContact CB-CG2 4.23Å; V188-N190 PolarHBondContact O-N 3.18Å; V188-N190 VanDerWaalsContact O-N 3.12Å; V188-V191 PolarHBondContact N-O 3.42Å; V188-V191 WeakPolarHBondContact O-CB 3.36Å; V188-V191 PolarHBondContact O-N 3.13Å
189	R	96.9	Very high	95.4	Very high	164 Å²	164	51.7 Å²	51.7	62%	0.619	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.6	-115.3	-170.1	-55.4	177.6	-176	-176.3	2.7	110.5
190	N	97.4	Very high	95.6	Very high	34 Å²	34	50.6 Å²	50.6	18%	0.182	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	13.6	176.2	66.4	-33.7	0	0	0	113.7	S102 Y105 T106 L108 V188 Y192	S102-N190 WeakPolarHBondContact CB-OD1 3.41Å; S102-N190 PolarHBondContact O-ND2 3.25Å; Y105-N190 PolarHBondContact O-ND2 2.93Å; T106-N190 WeakPolarHBondContact O-CB 3.38Å; T106-N190 PolarHBondContact O-ND2 2.98Å; L108-N190 PolarHBondContact N-O 3.22Å; V188-N190 PolarHBondContact O-N 3.18Å; V188-N190 VanDerWaalsContact O-N 3.12Å; N190-Y192 WeakPolarHBondContact O-CD2 3.47Å; N190-Y192 WeakPolarHBondContact O-CE2 3.41Å
191	V	98.6	Very high	95.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	123.4	178.5	-170.1	0	0	0	0	109.4	V98 L108 T110 I126 F130 S187 V188 V193	V98-V191 HydrophobicContact CG1-CG2 4.16Å; L108-V191 HydrophobicContact CB-CG1 4.44Å; L108-V191 HydrophobicContact CB-CG2 4.22Å; L108-V191 HydrophobicContact CD2-CG1 4.02Å; L108-V191 HydrophobicContact CD2-CG2 3.95Å; L108-V191 HydrophobicContact CG-CG1 4.12Å; L108-V191 HydrophobicContact CG-CG2 4.45Å; L108-V191 CarbonylContact O-C 3.56Å; L108-V191 VanDerWaalsContact O-CA 3.3Å; L108-V191 WeakPolarHBondContact O-CA 3.13Å; T110-V191 HydrophobicContact CG2-CG1 3.84Å; I126-V191 HydrophobicContact CD1-CG1 4.03Å; F130-V191 HydrophobicContact CE2-CG2 3.81Å; F130-V191 HydrophobicContact CZ-CG2 3.67Å; S187-V191 CarbonylContact C-O 3.59Å; S187-V191 WeakPolarHBondContact CA-O 3.39Å; S187-V191 WeakPolarHBondContact CB-O 3.27Å; V188-V191 PolarHBondContact N-O 3.42Å; V188-V191 WeakPolarHBondContact O-CB 3.36Å; V188-V191 PolarHBondContact O-N 3.13Å; V191-V193 HydrophobicContact CG1-CG2 4.37Å
192	Y	98.6	Very high	96	Very high	30 Å²	30	45.1 Å²	45.1	12%	0.118	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	122.6	179.8	-60.5	-98.6	0	0	0	109.5	H107 L108 T110 N190 L211 F212	H107-Y192 AromaticContact ND1-CE2 3.66Å; L108-Y192 PolarHBondContact O-N 2.98Å; T110-Y192 PolarHBondContact N-O 2.83Å; N190-Y192 WeakPolarHBondContact O-CD2 3.47Å; N190-Y192 WeakPolarHBondContact O-CE2 3.41Å; Y192-L211 HydrophobicContact CD1-CD1 4.43Å; Y192-L211 HydrophobicContact CE1-CD1 4.01Å; Y192-F212 HydrophobicContact CD1-CE1 4.09Å; Y192-F212 AromaticContact CD1-CZ 3.86Å; Y192-F212 HydrophobicContact CD1-CZ 3.86Å; Y192-F212 AromaticContact CD2-CE1 3.69Å; Y192-F212 HydrophobicContact CD2-CE1 3.69Å; Y192-F212 HydrophobicContact CD2-CZ 4.16Å; Y192-F212 HydrophobicContact CE1-CE1 4.18Å; Y192-F212 HydrophobicContact CE1-CZ 4.24Å; Y192-F212 AromaticContact CE2-CE1 3.81Å; Y192-F212 HydrophobicContact CE2-CE1 3.81Å; Y192-F212 AromaticContact CG-CE1 3.84Å; Y192-F212 HydrophobicContact CG-CE1 3.84Å; Y192-F212 AromaticContact CG-CZ 3.81Å; Y192-F212 HydrophobicContact CG-CZ 3.81Å
193	V	98.4	Very high	96.3	Very high	6 Å²	6	42.9 Å²	42.9	4%	0.036	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	102.7	-165.7	-175.8	0	0	0	0	110.7	T110 V114 T122 F123 I126 V186 V191	T110-V193 WeakPolarHBondContact OG1-CA 3.37Å; V114-V193 HydrophobicContact CG1-CG1 3.43Å; V114-V193 VanDerWaalsContact CG1-CG1 3.43Å; T122-V193 HydrophobicContact CG2-CG1 3.81Å; F123-V193 HydrophobicContact CD1-CG1 4.27Å; F123-V193 HydrophobicContact CE1-CB 3.81Å; F123-V193 HydrophobicContact CE1-CG1 3.56Å; F123-V193 HydrophobicContact CE1-CG2 4.05Å; F123-V193 HydrophobicContact CZ-CB 4.37Å; F123-V193 HydrophobicContact CZ-CG1 3.89Å; I126-V193 HydrophobicContact CD1-CG2 3.33Å; V186-V193 WeakPolarHBondContact O-CB 3.37Å; V186-V193 PolarHBondContact O-N 2.91Å; V191-V193 HydrophobicContact CG1-CG2 4.37Å
194	F	98.1	Very high	96.5	Very high	1 Å²	1	39.1 Å²	39.1	0%	0.004	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	155	-179	-70.5	-96.9	0	0	0	112.3	I109 T110 S111 G112 V185 M201 A204 F205 F212	I109-F194 HydrophobicContact CG2-CD2 3.51Å; I109-F194 HydrophobicContact CG2-CE2 3.74Å; I109-F194 HydrophobicContact CG2-CG 4.5Å; T110-F194 WeakPolarHBondContact O-CB 3.41Å; T110-F194 PolarHBondContact O-N 2.86Å; S111-F194 WeakPolarHBondContact CA-O 3.34Å; G112-F194 PolarHBondContact N-O 2.87Å; V185-F194 HydrophobicContact CG1-CD2 4.33Å; V185-F194 HydrophobicContact CG1-CE1 4.28Å; V185-F194 HydrophobicContact CG1-CE2 4.08Å; V185-F194 HydrophobicContact CG1-CZ 4.06Å; V185-F194 HydrophobicContact CG2-CD1 3.86Å; V185-F194 HydrophobicContact CG2-CE1 3.65Å; V185-F194 HydrophobicContact CG2-CZ 4.2Å; F194-M201 HydrophobicContact CB-CG 3.92Å; F194-M201 HydrophobicContact CD1-CG 4.37Å; F194-M201 HydrophobicContact CG-CG 4.38Å; F194-A204 HydrophobicContact CD1-CB 3.93Å; F194-A204 HydrophobicContact CE1-CB 4.02Å; F194-F205 HydrophobicContact CD1-CB 4.39Å; F194-F205 HydrophobicContact CE1-CB 3.77Å; F194-F205 HydrophobicContact CE1-CD2 4.15Å; F194-F205 HydrophobicContact CE1-CG 4.46Å; F194-F205 HydrophobicContact CE2-CD2 4.37Å; F194-F205 HydrophobicContact CZ-CB 4.27Å; F194-F205 AromaticContact CZ-CD2 3.8Å; F194-F205 HydrophobicContact CZ-CD2 3.8Å; F194-F205 HydrophobicContact CZ-CG 4.49Å; F194-F212 HydrophobicContact CE2-CZ 4.25Å; F194-F212 HydrophobicContact CZ-CE2 4.22Å; F194-F212 HydrophobicContact CZ-CZ 4.22Å
195	P	96.1	Very high	96.5	Very high	32 Å²	32	38.2 Å²	38.2	21%	0.208	20%	0.204	C	C	.	.			trans	-63.4	157.7	171.8	27.2	-34.6	0	0	0	112.6	S111 V114 F200 M201	S111-P195 PolarHBondContact OG-O 3.46Å; V114-P195 HydrophobicContact CG2-CB 4.15Å; P195-F200 HydrophobicContact CB-CB 4.18Å; P195-F200 HydrophobicContact CG-CB 3.67Å; P195-M201 HydrophobicContact CG-CB 4.47Å
196	G	94.4	Very high	96.4	Very high	30 Å²	30	40.3 Å²	40.3	31%	0.309	22%	0.217	S	C	.	.	S	Bend	trans	-78.3	-32.7	177.2	0	0	0	0	0	113.5	N66 P198	N66-G196 PolarHBondContact ND2-O 3.16Å; G196-P198 WeakPolarHBondContact O-CD 3.42Å
197	T	95.1	Very high	96.2	Very high	71 Å²	71	40.3 Å²	40.3	44%	0.436	22%	0.218	S	C	.	.	S	Bend	trans	-63.9	121.5	179.2	-52.9	0	0	0	0	110.8	S199 F200 M201	T197-S199 PolarHBondContact O-N 3.01Å; T197-F200 HydrophobicContact CG2-CD2 3.94Å; T197-F200 HydrophobicContact CG2-CE2 4.27Å; T197-F200 HydrophobicContact CG2-CG 4.41Å; T197-F200 PolarHBondContact O-N 3.04Å; T197-F200 VanDerWaalsContact O-N 3.09Å; T197-M201 PolarHBondContact O-N 3.18Å
198	P	95.3	Very high	96.1	Very high	49 Å²	49	40.2 Å²	40.2	32%	0.318	22%	0.217	S	C	.	.	H	α-helix	trans	-54.8	-47.5	-172.5	-29	34.4	0	0	0	114.2	T65 N66 G196 F200 M201 E202	T65-P198 WeakPolarHBondContact OG1-CG 3.36Å; N66-P198 VanDerWaalsContact OD1-CA 3.31Å; N66-P198 WeakPolarHBondContact OD1-CA 3.27Å; N66-P198 WeakPolarHBondContact OD1-CB 3.45Å; N66-P198 WeakPolarHBondContact OD1-CG 3.49Å; G196-P198 WeakPolarHBondContact O-CD 3.42Å; P198-F200 VanDerWaalsContact C-N 3.28Å; P198-F200 PolarHBondContact O-N 2.66Å; P198-M201 PolarHBondContact O-N 3.09Å; P198-M201 VanDerWaalsContact O-N 3.15Å; P198-E202 WeakPolarHBondContact O-CB 3.4Å; P198-E202 VanDerWaalsContact O-CG 3.27Å; P198-E202 WeakPolarHBondContact O-CG 3.13Å; P198-E202 PolarHBondContact O-N 3.29Å
199	S	94.7	Very high	95.9	Very high	73 Å²	73	42.7 Å²	42.7	51%	0.51	23%	0.229	S	C	.	.	H	α-helix	trans	-59.7	-36.7	-179.6	53.8	0	0	0	0	113.4	T197 L203	T197-S199 PolarHBondContact O-N 3.01Å; S199-L203 VanDerWaalsContact O-CB 3.28Å; S199-L203 WeakPolarHBondContact O-CB 3.34Å; S199-L203 PolarHBondContact O-N 3.26Å
200	F	94	Very high	95.7	Very high	128 Å²	128	40.9 Å²	40.9	56%	0.561	23%	0.227	S	C	*	.	H	α-helix	trans	-76	-38.4	177.1	-61.7	-30.3	0	0	0	111.9	P195 T197 P198 A204	P195-F200 HydrophobicContact CB-CB 4.18Å; P195-F200 HydrophobicContact CG-CB 3.67Å; T197-F200 HydrophobicContact CG2-CD2 3.94Å; T197-F200 HydrophobicContact CG2-CE2 4.27Å; T197-F200 HydrophobicContact CG2-CG 4.41Å; T197-F200 PolarHBondContact O-N 3.04Å; T197-F200 VanDerWaalsContact O-N 3.09Å; P198-F200 VanDerWaalsContact C-N 3.28Å; P198-F200 PolarHBondContact O-N 2.66Å; F200-A204 VanDerWaalsContact O-CB 3.24Å; F200-A204 WeakPolarHBondContact O-CB 3.21Å; F200-A204 PolarHBondContact O-N 2.85Å
201	M	95.6	Very high	95.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63.1	-48.6	176.3	-175.6	-78.9	-60.9	0	0	110.9	N66 F69 L70 F194 P195 T197 P198 L203 A204 F205	N66-M201 HydrophobicContact CB-CE 3.64Å; N66-M201 WeakPolarHBondContact OD1-CE 3.47Å; F69-M201 HydrophobicContact CB-CE 4.04Å; F69-M201 HydrophobicContact CD1-CE 3.43Å; F69-M201 VanDerWaalsContact CD1-CE 3.43Å; F69-M201 HydrophobicContact CD1-SD 3.59Å; F69-M201 VanDerWaalsContact CD1-SD 3.59Å; F69-M201 HydrophobicContact CE1-CE 4.16Å; F69-M201 HydrophobicContact CE1-SD 3.82Å; F69-M201 HydrophobicContact CG-CE 3.96Å; L70-M201 HydrophobicContact CD1-SD 4.29Å; L70-M201 HydrophobicContact CD2-SD 3.72Å; L70-M201 HydrophobicContact CG-CE 4.36Å; L70-M201 HydrophobicContact CG-SD 3.83Å; F194-M201 HydrophobicContact CB-CG 3.92Å; F194-M201 HydrophobicContact CD1-CG 4.37Å; F194-M201 HydrophobicContact CG-CG 4.38Å; P195-M201 HydrophobicContact CG-CB 4.47Å; T197-M201 PolarHBondContact O-N 3.18Å; P198-M201 PolarHBondContact O-N 3.09Å; P198-M201 VanDerWaalsContact O-N 3.15Å; M201-L203 PolarHBondContact O-N 3.29Å; M201-A204 PolarHBondContact O-N 2.93Å; M201-F205 WeakPolarHBondContact O-CB 3.13Å; M201-F205 PolarHBondContact O-N 2.84Å; M201-F205 HydrophobicContact SD-CB 4.45Å
202	E	96	Very high	95.2	Very high	77 Å²	77	41.6 Å²	41.6	36%	0.36	23%	0.231	S	C	.	.	H	α-helix	trans	-61.3	-45.1	179.3	-67.7	-175.6	-160.7	0	0	111.7	F69 P198 T206	F69-E202 HydrophobicContact CB-CG 4.47Å; F69-E202 HydrophobicContact CD1-CG 3.98Å; F69-E202 HydrophobicContact CD2-CB 4.36Å; F69-E202 HydrophobicContact CD2-CG 3.54Å; F69-E202 HydrophobicContact CE1-CB 4.3Å; F69-E202 HydrophobicContact CE1-CG 4.06Å; F69-E202 HydrophobicContact CE2-CB 3.91Å; F69-E202 HydrophobicContact CE2-CG 3.62Å; F69-E202 HydrophobicContact CG-CG 3.73Å; F69-E202 HydrophobicContact CZ-CB 3.88Å; F69-E202 HydrophobicContact CZ-CG 3.88Å; P198-E202 WeakPolarHBondContact O-CB 3.4Å; P198-E202 VanDerWaalsContact O-CG 3.27Å; P198-E202 WeakPolarHBondContact O-CG 3.13Å; P198-E202 PolarHBondContact O-N 3.29Å; E202-T206 WeakPolarHBondContact O-CB 3.48Å; E202-T206 PolarHBondContact O-N 3.06Å; E202-T206 PolarHBondContact O-OG1 3.32Å
203	L	93.5	Very high	94.5	Very high	79 Å²	79	43 Å²	43	41%	0.414	25%	0.248	S	C	.	.	H	α-helix	trans	-61.2	-48.9	177	-179.2	65.4	0	0	0	111.5	Q181 S199 M201 G207	Q181-L203 PolarHBondContact NE2-O 3.17Å; S199-L203 VanDerWaalsContact O-CB 3.28Å; S199-L203 WeakPolarHBondContact O-CB 3.34Å; S199-L203 PolarHBondContact O-N 3.26Å; M201-L203 PolarHBondContact O-N 3.29Å; L203-G207 PolarHBondContact O-N 3.41Å
204	A	95.1	Very high	93.4	Very high	12 Å²	12	44.5 Å²	44.5	10%	0.099	26%	0.259	C	S	.	.	H	α-helix	trans	-63.3	-46.7	-179.6	0	0	0	0	0	111.7	V185 F194 F200 M201 T206 G207 L208	V185-A204 HydrophobicContact CG2-CB 3.83Å; F194-A204 HydrophobicContact CD1-CB 3.93Å; F194-A204 HydrophobicContact CE1-CB 4.02Å; F200-A204 VanDerWaalsContact O-CB 3.24Å; F200-A204 WeakPolarHBondContact O-CB 3.21Å; F200-A204 PolarHBondContact O-N 2.85Å; M201-A204 PolarHBondContact O-N 2.93Å; A204-T206 PolarHBondContact O-N 2.85Å; A204-G207 PolarHBondContact O-N 2.82Å; A204-L208 WeakPolarHBondContact O-CG 3.45Å; A204-L208 PolarHBondContact O-N 3.4Å
205	F	96.6	Very high	91.8	Very high	0 Å²	0	51 Å²	51	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-63.3	-44.7	-179.1	-174.9	-83	0	0	0	111.4	F69 L70 A73 L74 L77 I109 F194 M201 G207 L208 E209 F212	F69-F205 HydrophobicContact CE1-CB 3.85Å; F69-F205 AromaticContact CE1-CD1 3.86Å; F69-F205 HydrophobicContact CE1-CD1 3.86Å; F69-F205 AromaticContact CE1-CG 3.94Å; F69-F205 HydrophobicContact CE1-CG 3.94Å; F69-F205 HydrophobicContact CZ-CB 4.42Å; F69-F205 HydrophobicContact CZ-CD1 4.2Å; L70-F205 HydrophobicContact CD2-CD2 3.38Å; L70-F205 HydrophobicContact CD2-CE2 3.68Å; L70-F205 HydrophobicContact CD2-CG 3.99Å; A73-F205 HydrophobicContact CB-CD1 3.88Å; A73-F205 HydrophobicContact CB-CE1 3.34Å; A73-F205 HydrophobicContact CB-CZ 3.99Å; L74-F205 HydrophobicContact CD2-CE2 4.07Å; L74-F205 HydrophobicContact CD2-CZ 3.82Å; L74-F205 HydrophobicContact CG-CE2 4.25Å; L74-F205 HydrophobicContact CG-CZ 3.96Å; L77-F205 HydrophobicContact CD1-CE1 4.07Å; L77-F205 HydrophobicContact CD1-CZ 4.04Å; I109-F205 HydrophobicContact CD1-CD2 4.45Å; I109-F205 HydrophobicContact CD1-CE2 3.81Å; F194-F205 HydrophobicContact CD1-CB 4.39Å; F194-F205 HydrophobicContact CE1-CB 3.77Å; F194-F205 HydrophobicContact CE1-CD2 4.15Å; F194-F205 HydrophobicContact CE1-CG 4.46Å; F194-F205 HydrophobicContact CE2-CD2 4.37Å; F194-F205 HydrophobicContact CZ-CB 4.27Å; F194-F205 AromaticContact CZ-CD2 3.8Å; F194-F205 HydrophobicContact CZ-CD2 3.8Å; F194-F205 HydrophobicContact CZ-CG 4.49Å; M201-F205 WeakPolarHBondContact O-CB 3.13Å; M201-F205 PolarHBondContact O-N 2.84Å; M201-F205 HydrophobicContact SD-CB 4.45Å; F205-G207 VanDerWaalsContact C-N 3.25Å; F205-G207 PolarHBondContact O-N 3.48Å; F205-L208 CarbonylContact O-C 3.56Å; F205-L208 WeakPolarHBondContact O-CA 3.34Å; F205-L208 PolarHBondContact O-N 2.62Å; F205-E209 HydrophobicContact CD1-CG 4.23Å; F205-E209 HydrophobicContact CE1-CG 4Å; F205-E209 PolarHBondContact O-N 2.9Å; F205-E209 VanDerWaalsContact O-N 3.09Å; F205-F212 HydrophobicContact CD2-CD2 4.44Å; F205-F212 HydrophobicContact CD2-CE2 4.03Å; F205-F212 AromaticContact CE2-CD2 3.69Å; F205-F212 HydrophobicContact CE2-CD2 3.69Å; F205-F212 AromaticContact CE2-CE2 3.63Å; F205-F212 HydrophobicContact CE2-CE2 3.63Å; F205-F212 HydrophobicContact CE2-CG 4.43Å; F205-F212 HydrophobicContact CE2-CZ 4.33Å; F205-F212 AromaticContact CZ-CD2 3.86Å; F205-F212 HydrophobicContact CZ-CD2 3.86Å; F205-F212 HydrophobicContact CZ-CE2 4.26Å
206	T	95.1	Very high	90.7	Very high	49 Å²	49	52.6 Å²	52.6	30%	0.301	33%	0.327	S	S	.	.	H	α-helix	trans	-60.8	-37	-178.9	-52.7	0	0	0	0	111.5	P175 E202 A204 L208	P175-T206 HydrophobicContact CG-CG2 3.83Å; E202-T206 WeakPolarHBondContact O-CB 3.48Å; E202-T206 PolarHBondContact O-N 3.06Å; E202-T206 PolarHBondContact O-OG1 3.32Å; A204-T206 PolarHBondContact O-N 2.85Å; T206-L208 PolarHBondContact O-N 3.19Å
207	G	94.4	Very high	90.1	Very high	7 Å²	7	52 Å²	52	7%	0.072	32%	0.317	C	S	.	.	H	α-helix	trans	-71.8	-11.9	175.8	0	0	0	0	0	114.7	G172 I173 L203 A204 F205	G172-G207 WeakPolarHBondContact CA-O 3.34Å; I173-G207 PolarHBondContact N-O 2.91Å; I173-G207 VanDerWaalsContact N-O 3.17Å; I173-G207 WeakPolarHBondContact O-CA 3.45Å; L203-G207 PolarHBondContact O-N 3.41Å; A204-G207 PolarHBondContact O-N 2.82Å; F205-G207 VanDerWaalsContact C-N 3.25Å; F205-G207 PolarHBondContact O-N 3.48Å
208	L	95.8	Very high	89.7	Confident	2 Å²	2	52.8 Å²	52.8	1%	0.01	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.8	11.8	-173.1	-68.3	174.1	0	0	0	113.3	N170 V185 A204 F205 T206 H210 L211	N170-L208 HydrophobicContact CB-CD1 4.24Å; N170-L208 HydrophobicContact CB-CD2 3.97Å; V185-L208 HydrophobicContact CB-CD1 3.49Å; V185-L208 VanDerWaalsContact CB-CD1 3.49Å; V185-L208 HydrophobicContact CG1-CD1 4.27Å; V185-L208 HydrophobicContact CG2-CD1 3.41Å; V185-L208 VanDerWaalsContact CG2-CD1 3.41Å; A204-L208 WeakPolarHBondContact O-CG 3.45Å; A204-L208 PolarHBondContact O-N 3.4Å; F205-L208 CarbonylContact O-C 3.56Å; F205-L208 WeakPolarHBondContact O-CA 3.34Å; F205-L208 PolarHBondContact O-N 2.62Å; T206-L208 PolarHBondContact O-N 3.19Å; L208-H210 PolarHBondContact O-N 3.45Å; L208-L211 HydrophobicContact CB-CD1 4.14Å; L208-L211 HydrophobicContact CB-CG 4.48Å; L208-L211 HydrophobicContact CD2-CD1 3.87Å; L208-L211 HydrophobicContact CD2-CG 4.42Å; L208-L211 HydrophobicContact CG-CD1 4.41Å; L208-L211 WeakPolarHBondContact O-CB 3.34Å; L208-L211 PolarHBondContact O-N 3.23Å
209	E	94.2	Very high	89.5	Confident	52 Å²	52	52.6 Å²	52.6	24%	0.243	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-53.1	-32.9	-179.1	-71.8	-168.3	155	0	0	112.7	R76 L77 F205 L211 F212 A213	R76-E209 IonicContact NH2-OE1 3.66Å; R76-E209 PolarHBondContact NH2-OE1 2.66Å; L77-E209 HydrophobicContact CD1-CB 3.82Å; L77-E209 HydrophobicContact CD1-CG 3.99Å; L77-E209 HydrophobicContact CD2-CB 3.99Å; L77-E209 HydrophobicContact CD2-CG 4.46Å; F205-E209 HydrophobicContact CD1-CG 4.23Å; F205-E209 HydrophobicContact CE1-CG 4Å; F205-E209 PolarHBondContact O-N 2.9Å; F205-E209 VanDerWaalsContact O-N 3.09Å; E209-L211 PolarHBondContact O-N 3.41Å; E209-L211 VanDerWaalsContact O-N 3.13Å; E209-F212 PolarHBondContact O-N 3.35Å; E209-A213 PolarHBondContact O-N 2.82Å
210	H	91.9	Very high	89.5	Confident	126 Å²	126	51.2 Å²	51.2	58%	0.583	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-59.2	-22.4	176.9	71	-85.5	0	0	0	114.4	L208 F212	L208-H210 PolarHBondContact O-N 3.45Å; H210-F212 VanDerWaalsContact C-N 3.29Å
211	L	93.1	Very high	89.5	Confident	47 Å²	47	47.5 Å²	47.5	25%	0.246	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-74.2	-22.5	175.6	-63.2	-176.9	0	0	0	112.9	N170 Y192 L208 E209	N170-L211 HydrophobicContact CB-CD1 3.87Å; Y192-L211 HydrophobicContact CD1-CD1 4.43Å; Y192-L211 HydrophobicContact CE1-CD1 4.01Å; L208-L211 HydrophobicContact CB-CD1 4.14Å; L208-L211 HydrophobicContact CB-CG 4.48Å; L208-L211 HydrophobicContact CD2-CD1 3.87Å; L208-L211 HydrophobicContact CD2-CG 4.42Å; L208-L211 HydrophobicContact CG-CD1 4.41Å; L208-L211 WeakPolarHBondContact O-CB 3.34Å; L208-L211 PolarHBondContact O-N 3.23Å; E209-L211 PolarHBondContact O-N 3.41Å; E209-L211 VanDerWaalsContact O-N 3.13Å
212	F	93.2	Very high	89.5	Confident	3 Å²	3	50.8 Å²	50.8	1%	0.013	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-11.2	-176.1	-49.3	-73.4	0	0	0	112.5	L74 L77 V79 H107 I109 Y192 F194 F205 E209 H210 S214	L74-F212 HydrophobicContact CD2-CB 3.88Å; L74-F212 HydrophobicContact CD2-CD1 4.23Å; L74-F212 HydrophobicContact CD2-CG 4Å; L77-F212 HydrophobicContact CD1-CB 3.9Å; V79-F212 HydrophobicContact CG2-CB 4.46Å; V79-F212 WeakPolarHBondContact CG2-O 3.14Å; H107-F212 HydrophobicContact CB-CD1 4.46Å; H107-F212 AromaticContact CG-CD1 3.99Å; H107-F212 AromaticContact ND1-CD1 3.87Å; I109-F212 HydrophobicContact CD1-CD1 4.47Å; I109-F212 HydrophobicContact CD1-CE1 3.97Å; I109-F212 HydrophobicContact CD1-CZ 4.06Å; I109-F212 HydrophobicContact CG1-CE1 4.37Å; Y192-F212 HydrophobicContact CD1-CE1 4.09Å; Y192-F212 AromaticContact CD1-CZ 3.86Å; Y192-F212 HydrophobicContact CD1-CZ 3.86Å; Y192-F212 AromaticContact CD2-CE1 3.69Å; Y192-F212 HydrophobicContact CD2-CE1 3.69Å; Y192-F212 HydrophobicContact CD2-CZ 4.16Å; Y192-F212 HydrophobicContact CE1-CE1 4.18Å; Y192-F212 HydrophobicContact CE1-CZ 4.24Å; Y192-F212 AromaticContact CE2-CE1 3.81Å; Y192-F212 HydrophobicContact CE2-CE1 3.81Å; Y192-F212 AromaticContact CG-CE1 3.84Å; Y192-F212 HydrophobicContact CG-CE1 3.84Å; Y192-F212 AromaticContact CG-CZ 3.81Å; Y192-F212 HydrophobicContact CG-CZ 3.81Å; F194-F212 HydrophobicContact CE2-CZ 4.25Å; F194-F212 HydrophobicContact CZ-CE2 4.22Å; F194-F212 HydrophobicContact CZ-CZ 4.22Å; F205-F212 HydrophobicContact CD2-CD2 4.44Å; F205-F212 HydrophobicContact CD2-CE2 4.03Å; F205-F212 AromaticContact CE2-CD2 3.69Å; F205-F212 HydrophobicContact CE2-CD2 3.69Å; F205-F212 AromaticContact CE2-CE2 3.63Å; F205-F212 HydrophobicContact CE2-CE2 3.63Å; F205-F212 HydrophobicContact CE2-CG 4.43Å; F205-F212 HydrophobicContact CE2-CZ 4.33Å; F205-F212 AromaticContact CZ-CD2 3.86Å; F205-F212 HydrophobicContact CZ-CD2 3.86Å; F205-F212 HydrophobicContact CZ-CE2 4.26Å; E209-F212 PolarHBondContact O-N 3.35Å; H210-F212 VanDerWaalsContact C-N 3.29Å; F212-S214 PolarHBondContact O-N 2.87Å
213	A	84.1	Confident	89.5	Confident	58 Å²	58	50.3 Å²	50.3	48%	0.479	30%	0.302	S	S	.	.			trans	-59.5	117.4	179.2	0	0	0	0	0	111.2	L77 E209	L77-A213 HydrophobicContact CD2-CB 4.31Å; E209-A213 PolarHBondContact O-N 2.82Å
214	S	75.3	Confident	89.6	Confident	38 Å²	38	46.8 Å²	46.8	27%	0.266	28%	0.283	S	S	.	.			trans	-97.2	131	172.1	-168.9	0	0	0	0	110.7	P46 L77 F212 G216	P46-S214 WeakPolarHBondContact CD-OG 3.38Å; P46-S214 VanDerWaalsContact CG-CB 3.47Å; P46-S214 WeakPolarHBondContact CG-OG 3.44Å; L77-S214 PolarHBondContact O-N 2.83Å; F212-S214 PolarHBondContact O-N 2.87Å; S214-G216 PolarHBondContact O-N 3.22Å; S214-G216 PolarHBondContact OG-N 3.48Å
215	S	64.4	Low	89.6	Confident	138 Å²	138	47.5 Å²	47.5	97%	0.965	28%	0.284	S	S	*	.	S	Bend	trans	-78.3	-7.5	172.8	55.8	0	0	0	0	113.4
216	G	72.1	Confident	89.5	Confident	65 Å²	65	47.5 Å²	47.5	67%	0.67	28%	0.284	S	S	*	.	S	Bend	trans	-106	-15.4	-166.9	0	0	0	0	0	116.4	S214	S214-G216 PolarHBondContact O-N 3.22Å; S214-G216 PolarHBondContact OG-N 3.48Å
217	T	82.4	Confident	89.4	Confident	18 Å²	18	48.2 Å²	48.2	11%	0.11	29%	0.286	C	S	.	.			trans	-137.6	129.2	-171.7	-51.8	0	0	0	0	110.8	A45 G78 F219 D270	A45-T217 HydrophobicContact CB-CG2 4.07Å; A45-T217 VanDerWaalsContact CB-OG1 3.27Å; A45-T217 WeakPolarHBondContact CB-OG1 3.49Å; G78-T217 WeakPolarHBondContact CA-O 3.32Å; T217-F219 HydrophobicContact CG2-CD1 4.48Å; T217-F219 HydrophobicContact CG2-CE1 3.94Å; T217-F219 HydrophobicContact CG2-CE2 4.31Å; T217-F219 HydrophobicContact CG2-CZ 3.84Å; T217-D270 HydrophobicContact CG2-CB 4.23Å
218	T	87.9	Confident	89.3	Confident	88 Å²	88	48.1 Å²	48.1	54%	0.54	29%	0.285	S	S	.	.			trans	-128.3	129.5	171.4	-62.3	0	0	0	0	107.5	H220 D270	T218-H220 PolarHBondContact O-CD2 2.8Å; T218-D270 CarbonylContact O-C 3.54Å; T218-D270 VanDerWaalsContact O-CA 3.32Å; T218-D270 WeakPolarHBondContact O-CA 3.44Å
219	F	90.9	Very high	89	Confident	44 Å²	44	50.4 Å²	50.4	19%	0.193	30%	0.297	C	S	.	.			trans	-92.8	133.7	176.5	-55.9	-75.9	0	0	0	111.2	R75 T217 D270	R75-F219 HydrophobicContact CG-CB 4.35Å; R75-F219 HydrophobicContact CG-CD2 3.68Å; R75-F219 HydrophobicContact CG-CE2 4.34Å; R75-F219 HydrophobicContact CG-CG 4.28Å; R75-F219 VanDerWaalsContact CZ-CB 3.48Å; R75-F219 WeakPolarHBondContact O-CD2 3.4Å; T217-F219 HydrophobicContact CG2-CD1 4.48Å; T217-F219 HydrophobicContact CG2-CE1 3.94Å; T217-F219 HydrophobicContact CG2-CE2 4.31Å; T217-F219 HydrophobicContact CG2-CZ 3.84Å; F219-D270 HydrophobicContact CD1-CB 4.48Å
220	H	93.6	Very high	88.9	Confident	44 Å²	44	51.3 Å²	51.3	20%	0.204	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	123.8	-179.7	-59.4	-87.3	0	0	0	109.4	T218 S269 Q272 V275	T218-H220 PolarHBondContact O-CD2 2.8Å; H220-S269 PolarHBondContact N-O 3.03Å; H220-S269 PolarHBondContact O-N 2.68Å; H220-Q272 PolarHBondContact CD2-N 2.72Å; H220-Q272 PolarHBondContact ND1-OE1 2.82Å; H220-V275 HydrophobicContact CB-CG1 3.78Å
221	S	94.4	Very high	88.9	Confident	50 Å²	50	50.8 Å²	50.8	35%	0.35	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	146.6	177.3	-49.8	0	0	0	0	111.2	R75 L267 D268	R75-S221 PolarHBondContact NH2-OG 2.89Å; S221-L267 CarbonylContact C-O 3.52Å; S221-L267 VanDerWaalsContact CA-O 3.24Å; S221-L267 WeakPolarHBondContact CA-O 3.39Å; S221-D268 WeakPolarHBondContact CB-OD2 3.48Å; S221-D268 PolarHBondContact OG-OD2 3.05Å
222	R	95.9	Very high	88.8	Confident	69 Å²	69	54 Å²	54	26%	0.26	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	138.8	171.5	-68.2	-64.2	-178	-97.1	6.5	110.1	V266 L267 Q272 V275 D276 R279	R222-V266 WeakPolarHBondContact O-CA 3.35Å; R222-L267 HydrophobicContact CB-CB 4.46Å; R222-L267 HydrophobicContact CB-CD1 4.3Å; R222-L267 PolarHBondContact N-O 2.86Å; R222-L267 PolarHBondContact O-N 2.93Å; R222-Q272 VanDerWaalsContact CZ-NE2 3.32Å; R222-Q272 VanDerWaalsContact NH2-OE1 3.11Å; R222-V275 HydrophobicContact CB-CG2 4.04Å; R222-V275 HydrophobicContact CG-CG1 4.08Å; R222-V275 HydrophobicContact CG-CG2 3.78Å; R222-D276 IonicContact CZ-OD1 3.93Å; R222-D276 VanDerWaalsContact CZ-OD1 3.25Å; R222-D276 IonicContact NE-OD1 3.22Å; R222-D276 PolarHBondContact NE-OD1 2.85Å; R222-D276 IonicContact NH2-OD1 3.89Å; R222-D276 PolarHBondContact NH2-OD1 3.46Å; R222-D276 VanDerWaalsContact NH2-OD1 3.08Å; R222-D276 IonicContact NH2-OD2 2.88Å; R222-D276 PolarHBondContact NH2-OD2 2.62Å; R222-R279 HydrophobicContact CB-CB 4.32Å; R222-R279 HydrophobicContact CB-CG 4.21Å; R222-R279 HydrophobicContact CG-CB 4.5Å
223	E	95.9	Very high	88.9	Confident	68 Å²	68	53.9 Å²	53.9	32%	0.318	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	142.8	176.6	-58.6	-169.9	127.6	0	0	110.3	F225 R264 L265 V266 K296	E223-F225 HydrophobicContact CB-CE2 4.04Å; E223-F225 HydrophobicContact CB-CZ 4.15Å; E223-R264 IonicContact OE1-NH1 2.8Å; E223-R264 PolarHBondContact OE1-NH1 3.34Å; E223-R264 VanDerWaalsContact OE1-NH1 3.07Å; E223-L265 CarbonylContact C-O 3.51Å; E223-L265 VanDerWaalsContact CA-O 3.32Å; E223-L265 WeakPolarHBondContact CA-O 3.49Å; E223-V266 HydrophobicContact CG-CG2 4.49Å; E223-K296 IonicContact OE2-NZ 2.61Å; E223-K296 PolarHBondContact OE2-NZ 3.01Å
224	V	95.8	Very high	89.5	Confident	5 Å²	5	52.9 Å²	52.9	3%	0.03	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	127.3	168.4	-177.8	0	0	0	0	107.4	V226 L265 L267 R279 L282 V283 L286 V291	V224-V226 HydrophobicContact CG1-CG2 4.14Å; V224-L265 HydrophobicContact CB-CB 4.33Å; V224-L265 PolarHBondContact N-O 3.44Å; V224-L265 PolarHBondContact O-N 3.09Å; V224-L267 HydrophobicContact CG2-CD1 4.22Å; V224-R279 HydrophobicContact CG2-CG 3.8Å; V224-L282 HydrophobicContact CB-CD2 4.3Å; V224-L282 HydrophobicContact CG2-CD2 4.06Å; V224-V283 HydrophobicContact CG1-CG2 4.28Å; V224-V283 HydrophobicContact CG2-CG2 4.17Å; V224-L286 HydrophobicContact CG1-CD1 4.06Å; V224-V291 HydrophobicContact CG1-CG1 3.96Å; V224-V291 HydrophobicContact CG1-CG2 4.12Å
225	F	95.3	Very high	90.5	Very high	27 Å²	27	55.1 Å²	55.1	12%	0.118	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	134.4	178.6	-59.5	-85.6	0	0	0	108.9	E223 C261 R264 V291 V292 L294	E223-F225 HydrophobicContact CB-CE2 4.04Å; E223-F225 HydrophobicContact CB-CZ 4.15Å; F225-C261 HydrophobicContact CB-CB 4.35Å; F225-R264 HydrophobicContact CD1-CB 4.18Å; F225-R264 HydrophobicContact CD1-CG 3.99Å; F225-R264 HydrophobicContact CE1-CB 4.23Å; F225-R264 HydrophobicContact CE1-CG 3.65Å; F225-R264 HydrophobicContact CZ-CG 4.37Å; F225-V291 WeakPolarHBondContact O-CA 3.26Å; F225-V292 HydrophobicContact CB-CG2 3.95Å; F225-V292 PolarHBondContact O-N 3.34Å; F225-L294 HydrophobicContact CB-CB 4.32Å; F225-L294 HydrophobicContact CD1-CB 4.01Å; F225-L294 HydrophobicContact CD1-CD2 3.61Å; F225-L294 HydrophobicContact CD1-CG 4.42Å; F225-L294 HydrophobicContact CD2-CB 3.88Å; F225-L294 HydrophobicContact CE1-CB 4.28Å; F225-L294 HydrophobicContact CE1-CD2 3.43Å; F225-L294 VanDerWaalsContact CE1-CD2 3.43Å; F225-L294 HydrophobicContact CE1-CG 4.5Å; F225-L294 HydrophobicContact CE2-CB 4.2Å; F225-L294 HydrophobicContact CG-CB 3.8Å; F225-L294 HydrophobicContact CG-CD2 4.28Å; F225-L294 HydrophobicContact CZ-CB 4.39Å; F225-L294 HydrophobicContact CZ-CD2 4.02Å
226	V	94.8	Very high	92	Very high	0 Å²	0	50 Å²	50	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	128.3	-170.3	-168.4	0	0	0	0	110.2	V224 A228 I233 K262 V263 L265 L286 S290	V224-V226 HydrophobicContact CG1-CG2 4.14Å; V226-A228 HydrophobicContact CG1-CB 3.77Å; V226-A228 PolarHBondContact O-N 2.99Å; V226-I233 HydrophobicContact CG1-CD1 4.43Å; V226-I233 HydrophobicContact CG1-CG2 4.35Å; V226-K262 PolarHBondContact O-N 3.1Å; V226-V263 PolarHBondContact N-O 3.47Å; V226-V263 PolarHBondContact O-N 3.27Å; V226-L265 HydrophobicContact CG2-CD1 3.67Å; V226-L265 HydrophobicContact CG2-CG 4.07Å; V226-L286 HydrophobicContact CG2-CD1 3.87Å; V226-S290 CarbonylContact C-O 3.6Å; V226-S290 VanDerWaalsContact CA-O 3.3Å; V226-S290 WeakPolarHBondContact CA-O 3.25Å
227	D	92.3	Very high	93.1	Very high	64 Å²	64	47.7 Å²	47.7	34%	0.342	26%	0.261	S	S	.	.			trans	-96.1	62.9	168.4	-171	18.4	0	0	0	110.3	K262 S290 V292	D227-K262 WeakPolarHBondContact OD1-CD 3.41Å; D227-K262 WeakPolarHBondContact OD1-CE 3.38Å; D227-K262 WeakPolarHBondContact OD1-CG 3.49Å; D227-S290 PolarHBondContact N-O 3.32Å; D227-V292 HydrophobicContact CB-CG1 3.77Å; D227-V292 HydrophobicContact CB-CG2 4.42Å
228	A	91.3	Very high	93.8	Very high	5 Å²	5	51.6 Å²	51.6	4%	0.041	29%	0.285	C	S	.	.	S	Bend	trans	-143.6	154.9	172.8	0	0	0	0	0	109	V226 I233 K262	V226-A228 HydrophobicContact CG1-CB 3.77Å; V226-A228 PolarHBondContact O-N 2.99Å; A228-I233 HydrophobicContact CB-CG2 3.95Å; A228-K262 WeakPolarHBondContact O-CB 3.47Å
229	D	89.4	Confident	94.2	Very high	49 Å²	49	54.3 Å²	54.3	26%	0.262	29%	0.289	S	S	.	.			trans	-69.1	141.2	177.7	-69.6	-14.5	0	0	0	109.6	T231 E232 I233 K262	D229-T231 PolarHBondContact O-N 2.93Å; D229-T231 VanDerWaalsContact O-N 3.1Å; D229-E232 HydrophobicContact CB-CG 4.19Å; D229-E232 WeakPolarHBondContact O-CB 3.13Å; D229-E232 PolarHBondContact O-N 3.37Å; D229-I233 PolarHBondContact O-N 3.04Å; D229-K262 WeakPolarHBondContact OD1-CD 3.09Å; D229-K262 IonicContact OD1-NZ 2.87Å; D229-K262 PolarHBondContact OD1-NZ 2.97Å
230	E	92.7	Very high	94.4	Very high	72 Å²	72	52.4 Å²	52.4	34%	0.336	28%	0.28	S	S	.	.	H	α-helix	trans	-55.2	-36.1	-177.3	-176.7	174.7	-136.4	0	0	112.2	E232 I233 A234 S252 P254 V263	E230-E232 PolarHBondContact O-N 3.31Å; E230-I233 WeakPolarHBondContact O-CG1 3.34Å; E230-I233 PolarHBondContact O-N 2.96Å; E230-A234 WeakPolarHBondContact O-CB 3.41Å; E230-A234 PolarHBondContact O-N 3.42Å; E230-S252 VanDerWaalsContact OE1-CB 3.32Å; E230-S252 WeakPolarHBondContact OE1-CB 3.44Å; E230-S252 PolarHBondContact OE1-OG 3.39Å; E230-P254 HydrophobicContact CB-CG 4.3Å; E230-P254 HydrophobicContact CG-CG 4.37Å; E230-P254 WeakPolarHBondContact OE2-CG 3.44Å; E230-V263 HydrophobicContact CB-CG2 3.94Å
231	T	91.8	Very high	94.5	Very high	114 Å²	114	53.3 Å²	53.3	70%	0.699	29%	0.285	S	S	*	.	H	α-helix	trans	-63.6	-28.1	178.3	53	0	0	0	0	113.6	D229	D229-T231 PolarHBondContact O-N 2.93Å; D229-T231 VanDerWaalsContact O-N 3.1Å
232	E	91.6	Very high	94.5	Very high	116 Å²	116	54.9 Å²	54.9	54%	0.542	30%	0.301	S	S	.	.	H	α-helix	trans	-76.9	-35.2	179.3	-63.7	177.4	176.3	0	0	111.3	D229 E230	D229-E232 HydrophobicContact CB-CG 4.19Å; D229-E232 WeakPolarHBondContact O-CB 3.13Å; D229-E232 PolarHBondContact O-N 3.37Å; E230-E232 PolarHBondContact O-N 3.31Å
233	I	95.6	Very high	94.5	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-92.6	-20	-177.3	62.8	173.4	0	0	0	113.1	V226 A228 D229 E230 P235 V236 L237 V263 L265 L286 P287	V226-I233 HydrophobicContact CG1-CD1 4.43Å; V226-I233 HydrophobicContact CG1-CG2 4.35Å; A228-I233 HydrophobicContact CB-CG2 3.95Å; D229-I233 PolarHBondContact O-N 3.04Å; E230-I233 WeakPolarHBondContact O-CG1 3.34Å; E230-I233 PolarHBondContact O-N 2.96Å; I233-P235 VanDerWaalsContact C-CD 3.42Å; I233-P235 VanDerWaalsContact C-N 3.34Å; I233-V236 WeakPolarHBondContact O-CA 3.41Å; I233-V236 WeakPolarHBondContact O-CB 3.33Å; I233-V236 PolarHBondContact O-N 3.47Å; I233-L237 HydrophobicContact CD1-CD1 4.34Å; I233-L237 HydrophobicContact CG1-CD1 4.29Å; I233-L237 WeakPolarHBondContact O-CG 3.09Å; I233-L237 PolarHBondContact O-N 2.58Å; I233-L237 VanDerWaalsContact O-N 3.09Å; I233-V263 HydrophobicContact CD1-CB 4.09Å; I233-V263 HydrophobicContact CD1-CG1 4.05Å; I233-V263 HydrophobicContact CD1-CG2 4.22Å; I233-L265 HydrophobicContact CD1-CD1 4.27Å; I233-L265 HydrophobicContact CD1-CD2 4.08Å; I233-L286 HydrophobicContact CB-CD2 3.95Å; I233-L286 HydrophobicContact CG2-CD2 3.68Å; I233-P287 HydrophobicContact CG2-CG 4.25Å
234	A	96.1	Very high	94.5	Very high	36 Å²	36	52.4 Å²	52.4	30%	0.298	30%	0.298	S	S	.	.	H	α-helix	trans	-50.5	-40.3	-178.3	0	0	0	0	0	115.2	E230 V236 L237 T238	E230-A234 WeakPolarHBondContact O-CB 3.41Å; E230-A234 PolarHBondContact O-N 3.42Å; A234-V236 VanDerWaalsContact C-N 3.33Å; A234-V236 PolarHBondContact O-N 3.46Å; A234-L237 PolarHBondContact O-N 3.41Å; A234-T238 WeakPolarHBondContact O-CB 3.49Å; A234-T238 PolarHBondContact O-N 3.14Å; A234-T238 PolarHBondContact O-OG1 3.42Å
235	P	96	Very high	94.3	Very high	86 Å²	86	53.9 Å²	53.9	56%	0.558	31%	0.314	S	S	*	.	H	α-helix	trans	-62.2	-38.8	175.5	-23.8	35.4	0	0	0	113.1	I233 T238 K239	I233-P235 VanDerWaalsContact C-CD 3.42Å; I233-P235 VanDerWaalsContact C-N 3.34Å; P235-T238 PolarHBondContact O-N 3.28Å; P235-K239 PolarHBondContact O-N 3.42Å; P235-K239 VanDerWaalsContact O-N 3.09Å
236	V	95.8	Very high	94	Very high	30 Å²	30	64.7 Å²	64.7	18%	0.182	35%	0.354	C	S	.	.	H	α-helix	trans	-64.8	-47.4	176.5	177.6	0	0	0	0	110	I233 A234 T238 K239 L240 Q285	I233-V236 WeakPolarHBondContact O-CA 3.41Å; I233-V236 WeakPolarHBondContact O-CB 3.33Å; I233-V236 PolarHBondContact O-N 3.47Å; A234-V236 VanDerWaalsContact C-N 3.33Å; A234-V236 PolarHBondContact O-N 3.46Å; V236-T238 VanDerWaalsContact C-N 3.33Å; V236-T238 PolarHBondContact O-N 3.19Å; V236-K239 PolarHBondContact O-N 3.36Å; V236-L240 WeakPolarHBondContact O-CB 3.49Å; V236-L240 PolarHBondContact O-N 3.2Å; V236-Q285 HydrophobicContact CG1-CB 3.6Å
237	L	96.3	Very high	93.9	Very high	17 Å²	17	70.5 Å²	70.5	9%	0.089	38%	0.375	C	S	.	.	H	α-helix	trans	-60.7	-43	178.7	-53.4	-177.6	0	0	0	111.6	I233 A234 K239 L240 Q241 L250 L265 L282	I233-L237 HydrophobicContact CD1-CD1 4.34Å; I233-L237 HydrophobicContact CG1-CD1 4.29Å; I233-L237 WeakPolarHBondContact O-CG 3.09Å; I233-L237 PolarHBondContact O-N 2.58Å; I233-L237 VanDerWaalsContact O-N 3.09Å; A234-L237 PolarHBondContact O-N 3.41Å; L237-K239 PolarHBondContact O-N 3.06Å; L237-L240 PolarHBondContact O-N 3.28Å; L237-Q241 WeakPolarHBondContact O-CB 3.36Å; L237-Q241 PolarHBondContact O-N 3.08Å; L237-L250 HydrophobicContact CB-CD2 3.75Å; L237-L250 HydrophobicContact CD2-CD2 3.8Å; L237-L250 HydrophobicContact CD2-CG 4.46Å; L237-L250 HydrophobicContact CG-CD2 4.3Å; L237-L265 HydrophobicContact CD1-CD2 3.73Å; L237-L265 HydrophobicContact CD2-CD1 3.74Å; L237-L265 HydrophobicContact CD2-CD2 4.01Å; L237-L282 HydrophobicContact CD2-CD1 3.66Å
238	T	96.3	Very high	94	Very high	100 Å²	100	67.6 Å²	67.6	61%	0.613	36%	0.36	S	S	*	.	H	α-helix	trans	-61	-46.9	178.6	-58.6	0	0	0	0	111.3	A234 P235 V236 A242	A234-T238 WeakPolarHBondContact O-CB 3.49Å; A234-T238 PolarHBondContact O-N 3.14Å; A234-T238 PolarHBondContact O-OG1 3.42Å; P235-T238 PolarHBondContact O-N 3.28Å; V236-T238 VanDerWaalsContact C-N 3.33Å; V236-T238 PolarHBondContact O-N 3.19Å; T238-A242 WeakPolarHBondContact O-CB 3.47Å; T238-A242 PolarHBondContact O-N 2.98Å
239	K	95.8	Very high	94.2	Very high	145 Å²	145	70 Å²	70	63%	0.63	38%	0.38	S	S	*	.	H	α-helix	trans	-63.1	-43.1	177.8	-175.8	-177.6	177.4	-173.8	0	111.6	P235 V236 L237 A242 S243	P235-K239 PolarHBondContact O-N 3.42Å; P235-K239 VanDerWaalsContact O-N 3.09Å; V236-K239 PolarHBondContact O-N 3.36Å; L237-K239 PolarHBondContact O-N 3.06Å; K239-A242 PolarHBondContact O-N 2.8Å; K239-S243 PolarHBondContact O-N 2.61Å; K239-S243 VanDerWaalsContact O-N 3.15Å
240	L	95.2	Very high	94.5	Very high	3 Å²	3	69.2 Å²	69.2	2%	0.016	38%	0.375	C	S	.	.	H	α-helix	trans	-66.3	-47.6	-179.1	-165.8	69.6	0	0	0	110.9	V236 L237 A242 S243 W244 L250 Q281 L282	V236-L240 WeakPolarHBondContact O-CB 3.49Å; V236-L240 PolarHBondContact O-N 3.2Å; L237-L240 PolarHBondContact O-N 3.28Å; L240-A242 VanDerWaalsContact C-N 3.27Å; L240-A242 PolarHBondContact O-N 2.99Å; L240-S243 PolarHBondContact O-N 2.76Å; L240-S243 PolarHBondContact O-OG 3.34Å; L240-W244 PolarHBondContact O-N 3.16Å; L240-L250 HydrophobicContact CB-CD2 4.37Å; L240-L250 HydrophobicContact CD2-CD2 4.2Å; L240-Q281 HydrophobicContact CD1-CB 4.23Å; L240-Q281 HydrophobicContact CD1-CG 3.71Å; L240-L282 HydrophobicContact CD2-CB 3.61Å; L240-L282 HydrophobicContact CD2-CD1 3.75Å; L240-L282 HydrophobicContact CD2-CG 4.19Å
241	Q	95.7	Very high	94.6	Very high	64 Å²	64	66.6 Å²	66.6	30%	0.299	37%	0.368	S	S	.	.	H	α-helix	trans	-59	-38.5	176.7	-176.5	59.1	74.4	0	0	111.8	L237 S243 G245 V248	L237-Q241 WeakPolarHBondContact O-CB 3.36Å; L237-Q241 PolarHBondContact O-N 3.08Å; Q241-S243 VanDerWaalsContact C-N 3.34Å; Q241-S243 PolarHBondContact O-N 2.97Å; Q241-G245 PolarHBondContact NE2-O 3.28Å; Q241-G245 PolarHBondContact O-N 3.22Å; Q241-V248 PolarHBondContact NE2-O 2.95Å
242	A	95.6	Very high	94.8	Very high	82 Å²	82	62.8 Å²	62.8	68%	0.678	35%	0.346	S	S	*	.	H	α-helix	trans	-64.2	-35.9	175	0	0	0	0	0	112.8	T238 K239 L240	T238-A242 WeakPolarHBondContact O-CB 3.47Å; T238-A242 PolarHBondContact O-N 2.98Å; K239-A242 PolarHBondContact O-N 2.8Å; L240-A242 VanDerWaalsContact C-N 3.27Å; L240-A242 PolarHBondContact O-N 2.99Å
243	S	95.1	Very high	94.9	Very high	60 Å²	60	62.8 Å²	62.8	42%	0.42	34%	0.342	S	S	.	.	H	α-helix	trans	-74.9	-35.8	178.6	67	0	0	0	0	114.4	K239 L240 Q241 R247	K239-S243 PolarHBondContact O-N 2.61Å; K239-S243 VanDerWaalsContact O-N 3.15Å; L240-S243 PolarHBondContact O-N 2.76Å; L240-S243 PolarHBondContact O-OG 3.34Å; Q241-S243 VanDerWaalsContact C-N 3.34Å; Q241-S243 PolarHBondContact O-N 2.97Å; S243-R247 PolarHBondContact O-NH2 3.35Å
244	W	95.3	Very high	94.8	Very high	26 Å²	26	65 Å²	65	10%	0.098	36%	0.356	C	S	.	.	H	α-helix	trans	-86.4	-27.3	-179.7	-74.4	97.2	0	0	0	112.4	L240 R246 R247 V248 E274 K277 A278	L240-W244 PolarHBondContact O-N 3.16Å; W244-R246 PolarHBondContact O-N 2.77Å; W244-R247 WeakPolarHBondContact O-CB 3.44Å; W244-R247 PolarHBondContact O-N 3.49Å; W244-R247 PolarHBondContact O-NE 2.88Å; W244-V248 HydrophobicContact CB-CB 3.95Å; W244-V248 HydrophobicContact CB-CG2 4.43Å; W244-V248 HydrophobicContact CD2-CB 4.34Å; W244-V248 HydrophobicContact CD2-CG2 3.96Å; W244-V248 HydrophobicContact CE3-CB 4.38Å; W244-V248 HydrophobicContact CE3-CG2 3.61Å; W244-V248 HydrophobicContact CG-CB 4.17Å; W244-V248 HydrophobicContact CG-CG2 4.31Å; W244-V248 HydrophobicContact CZ3-CG2 4.2Å; W244-E274 HydrophobicContact CZ3-CB 3.88Å; W244-E274 HydrophobicContact CZ3-CG 4.14Å; W244-K277 HydrophobicContact CH2-CB 3.75Å; W244-K277 HydrophobicContact CZ2-CB 4.04Å; W244-A278 HydrophobicContact CD2-CB 3.94Å; W244-A278 VanDerWaalsContact CE2-CB 3.49Å; W244-A278 HydrophobicContact CG-CB 4.33Å; W244-A278 HydrophobicContact CH2-CB 4.38Å; W244-A278 HydrophobicContact CZ2-CB 3.75Å
245	G	92.8	Very high	94.5	Very high	35 Å²	35	66.9 Å²	66.9	36%	0.361	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	-131.7	179.3	0	0	0	0	0	111.1	Q241 R247	Q241-G245 PolarHBondContact NE2-O 3.28Å; Q241-G245 PolarHBondContact O-N 3.22Å; G245-R247 VanDerWaalsContact C-N 3.29Å; G245-R247 PolarHBondContact O-N 3.17Å
246	R	89.3	Confident	93.8	Very high	254 Å²	254	72.3 Å²	72.3	96%	0.958	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-8.6	-179.4	-65.7	-175.6	179.6	178.7	-0.6	114.5	W244	W244-R246 PolarHBondContact O-N 2.77Å
247	R	92.2	Very high	93.1	Very high	122 Å²	122	74.3 Å²	74.3	46%	0.46	38%	0.38	S	S	.	.	S	Bend	trans	-73.9	-34.5	-175.6	-65	-178.6	-62.3	140.5	-7.5	112.8	S243 W244 G245 S269 E274	S243-R247 PolarHBondContact O-NH2 3.35Å; W244-R247 WeakPolarHBondContact O-CB 3.44Å; W244-R247 PolarHBondContact O-N 3.49Å; W244-R247 PolarHBondContact O-NE 2.88Å; G245-R247 VanDerWaalsContact C-N 3.29Å; G245-R247 PolarHBondContact O-N 3.17Å; R247-S269 WeakPolarHBondContact O-CB 3.28Å; R247-S269 PolarHBondContact O-OG 3.15Å; R247-E274 WeakPolarHBondContact CB-OE2 3.44Å; R247-E274 WeakPolarHBondContact CD-OE1 3.44Å; R247-E274 IonicContact CZ-OE1 3.74Å; R247-E274 IonicContact NE-OE1 2.74Å; R247-E274 IonicContact NH1-OE1 3.25Å; R247-E274 PolarHBondContact NH1-OE1 2.84Å
248	V	95.1	Very high	92.7	Very high	3 Å²	3	74.8 Å²	74.8	2%	0.018	39%	0.385	C	S	.	.	S	Bend	trans	-135	122	174.1	-176	0	0	0	0	108.7	Q241 W244 L267 D268 E274 A278	Q241-V248 PolarHBondContact NE2-O 2.95Å; W244-V248 HydrophobicContact CB-CB 3.95Å; W244-V248 HydrophobicContact CB-CG2 4.43Å; W244-V248 HydrophobicContact CD2-CB 4.34Å; W244-V248 HydrophobicContact CD2-CG2 3.96Å; W244-V248 HydrophobicContact CE3-CB 4.38Å; W244-V248 HydrophobicContact CE3-CG2 3.61Å; W244-V248 HydrophobicContact CG-CB 4.17Å; W244-V248 HydrophobicContact CG-CG2 4.31Å; W244-V248 HydrophobicContact CZ3-CG2 4.2Å; V248-L267 HydrophobicContact CG1-CB 3.99Å; V248-L267 HydrophobicContact CG1-CD2 4.25Å; V248-D268 CarbonylContact C-O 3.58Å; V248-D268 VanDerWaalsContact CA-O 3.28Å; V248-D268 WeakPolarHBondContact CA-O 3.36Å; V248-E274 HydrophobicContact CG2-CB 4.01Å; V248-A278 HydrophobicContact CB-CB 4.29Å; V248-A278 HydrophobicContact CG1-CB 3.93Å; V248-A278 HydrophobicContact CG2-CB 3.98Å
249	A	94.6	Very high	92.4	Very high	55 Å²	55	70.9 Å²	70.9	46%	0.455	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	131.7	170.8	0	0	0	0	0	109.6	L267 D268	A249-L267 CarbonylContact O-C 3.53Å; A249-L267 WeakPolarHBondContact O-CA 3.45Å; A249-D268 HydrophobicContact CB-CB 4.22Å; A249-D268 PolarHBondContact N-O 3.01Å; A249-D268 PolarHBondContact O-N 3.32Å
250	L	95.9	Very high	92.1	Very high	33 Å²	33	64.9 Å²	64.9	17%	0.173	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	120.5	177.8	179.9	66.3	0	0	0	109.8	L237 L240 V266 L267 L282	L237-L250 HydrophobicContact CB-CD2 3.75Å; L237-L250 HydrophobicContact CD2-CD2 3.8Å; L237-L250 HydrophobicContact CD2-CG 4.46Å; L237-L250 HydrophobicContact CG-CD2 4.3Å; L240-L250 HydrophobicContact CB-CD2 4.37Å; L240-L250 HydrophobicContact CD2-CD2 4.2Å; L250-V266 CarbonylContact C-O 3.59Å; L250-V266 WeakPolarHBondContact CA-O 3.32Å; L250-L267 HydrophobicContact CD1-CD2 4.31Å; L250-L267 HydrophobicContact CD1-CG 3.85Å; L250-L282 HydrophobicContact CD1-CD2 4.22Å
251	G	94.8	Very high	91.9	Very high	17 Å²	17	65 Å²	65	18%	0.175	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	143.5	173.5	0	0	0	0	0	111.8	L265 V266	G251-L265 WeakPolarHBondContact O-CA 3.35Å; G251-V266 PolarHBondContact N-O 3.41Å; G251-V266 PolarHBondContact O-N 2.95Å
252	S	95.6	Very high	91.7	Very high	35 Å²	35	65.9 Å²	65.9	25%	0.245	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	129.3	172.3	-179.6	0	0	0	0	109.6	E230 V263	E230-S252 VanDerWaalsContact OE1-CB 3.32Å; E230-S252 WeakPolarHBondContact OE1-CB 3.44Å; E230-S252 PolarHBondContact OE1-OG 3.39Å; S252-V263 VanDerWaalsContact OG-CG1 3.28Å; S252-V263 WeakPolarHBondContact OG-CG1 3.39Å
253	Y	94.4	Very high	91.7	Very high	116 Å²	116	62 Å²	62	46%	0.455	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	95	-176.6	-56	-86.3	0	0	0	109.7	R264 V266	Y253-R264 WeakPolarHBondContact CB-O 3.49Å; Y253-R264 WeakPolarHBondContact CD2-O 3.32Å; Y253-R264 PolarHBondContact N-O 2.99Å; Y253-R264 PolarHBondContact O-N 2.91Å; Y253-V266 HydrophobicContact CD2-CG2 3.86Å; Y253-V266 HydrophobicContact CE2-CB 4Å; Y253-V266 HydrophobicContact CE2-CG2 3.67Å
254	P	93.6	Very high	91.7	Very high	45 Å²	45	63 Å²	63	29%	0.292	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	138.4	173.4	-23.5	34.3	0	0	0	111.9	E230 W256 K262	E230-P254 HydrophobicContact CB-CG 4.3Å; E230-P254 HydrophobicContact CG-CG 4.37Å; E230-P254 WeakPolarHBondContact OE2-CG 3.44Å; P254-W256 HydrophobicContact CB-CZ2 4.24Å; P254-K262 CarbonylContact C-O 3.5Å; P254-K262 WeakPolarHBondContact CA-O 3.4Å
255	D	88.9	Confident	91.8	Very high	76 Å²	76	61.8 Å²	61.8	41%	0.406	30%	0.295	S	S	.	.			trans	-122	96.7	172.1	-171.3	-13.6	0	0	0	109.7	L257 S258 K262	D255-L257 PolarHBondContact O-N 2.93Å; D255-L257 PolarHBondContact OD1-N 2.88Å; D255-S258 VanDerWaalsContact CG-CB 3.48Å; D255-S258 PolarHBondContact OD1-N 2.83Å; D255-S258 WeakPolarHBondContact OD2-CB 3.22Å; D255-K262 PolarHBondContact N-O 2.88Å
256	W	80.8	Confident	92	Very high	200 Å²	200	61.1 Å²	61.1	76%	0.758	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-5.6	-177.2	-56.9	96.5	0	0	0	114.1	P254	P254-W256 HydrophobicContact CB-CZ2 4.24Å
257	L	82.6	Confident	92.3	Very high	73 Å²	73	49.1 Å²	49.1	38%	0.382	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.5	-11.1	-175.5	-60.6	170.6	0	0	0	112.6	D255 R387	D255-L257 PolarHBondContact O-N 2.93Å; D255-L257 PolarHBondContact OD1-N 2.88Å; L257-R387 VanDerWaalsContact CD1-NH1 3.34Å
258	S	86.8	Confident	92.4	Very high	27 Å²	27	45 Å²	45	19%	0.189	23%	0.226	C	C	.	.			trans	-78	130.4	176.2	158.3	0	0	0	0	111	D255 Y260 C261	D255-S258 VanDerWaalsContact CG-CB 3.48Å; D255-S258 PolarHBondContact OD1-N 2.83Å; D255-S258 WeakPolarHBondContact OD2-CB 3.22Å; S258-Y260 VanDerWaalsContact C-N 3.34Å; S258-Y260 PolarHBondContact OG-N 3.09Å; S258-C261 WeakPolarHBondContact CB-O 3.42Å; S258-C261 PolarHBondContact OG-N 3.31Å; S258-C261 PolarHBondContact OG-O 2.77Å
259	N	89.9	Confident	92.4	Very high	17 Å²	17	45.1 Å²	45.1	9%	0.091	23%	0.227	C	C	.	.	S	Bend	trans	-79.9	-15.3	177.8	-52.7	114.4	0	0	0	113.9	R470 Y476 D481	N259-R470 PolarHBondContact O-NH1 3.46Å; N259-Y476 HydrophobicContact CB-CD1 4.28Å; N259-Y476 HydrophobicContact CB-CE1 3.73Å; N259-Y476 HydrophobicContact CB-CE2 4.11Å; N259-Y476 WeakPolarHBondContact ND2-CD2 3.28Å; N259-Y476 VanDerWaalsContact ND2-CE2 3.28Å; N259-Y476 WeakPolarHBondContact ND2-CE2 3.35Å; N259-Y476 PolarHBondContact ND2-O 3.49Å; N259-Y476 PolarHBondContact OD1-N 3.09Å; N259-Y476 PolarHBondContact OD1-O 2.78Å; N259-Y476 VanDerWaalsContact OD1-O 3.04Å; N259-D481 PolarHBondContact ND2-OD2 3.25Å
260	Y	90.1	Very high	92.2	Very high	20 Å²	20	47.1 Å²	47.1	8%	0.078	23%	0.23	C	C	.	.	S	Bend	trans	-124.2	-6.8	-166.4	-60.9	-78.9	0	0	0	113.6	S258 V292 L469 R470 H473 V474 Y476	S258-Y260 VanDerWaalsContact C-N 3.34Å; S258-Y260 PolarHBondContact OG-N 3.09Å; Y260-V292 WeakPolarHBondContact O-CG2 3.42Å; Y260-L469 PolarHBondContact OH-O 3.49Å; Y260-R470 VanDerWaalsContact CE1-NH1 3.29Å; Y260-H473 AromaticContact CD1-CD2 3.89Å; Y260-H473 HydrophobicContact CE1-CB 4.36Å; Y260-H473 HydrophobicContact CE2-CB 4.35Å; Y260-H473 WeakPolarHBondContact CE2-O 3.38Å; Y260-H473 VanDerWaalsContact CZ-CA 3.48Å; Y260-V474 PolarHBondContact OH-N 3.39Å; Y260-V474 PolarHBondContact OH-O 2.93Å; Y260-Y476 HydrophobicContact CE2-CE1 4.47Å
261	C	90.9	Very high	92.1	Very high	5 Å²	5	47.2 Å²	47.2	3%	0.034	23%	0.234	C	C	.	.			trans	-152.7	128.2	-179.1	167.6	0	0	0	0	108.1	F225 S258 V263 V292 L294	F225-C261 HydrophobicContact CB-CB 4.35Å; S258-C261 WeakPolarHBondContact CB-O 3.42Å; S258-C261 PolarHBondContact OG-N 3.31Å; S258-C261 PolarHBondContact OG-O 2.77Å; C261-V263 PolarHBondContact SG-O 3.29Å; C261-V263 VanDerWaalsContact SG-O 3.34Å; C261-V292 HydrophobicContact CB-CG2 4.34Å; C261-L294 HydrophobicContact CB-CD1 4.18Å
262	K	91.9	Very high	92.1	Very high	82 Å²	82	49.4 Å²	49.4	36%	0.357	24%	0.239	S	C	.	.	S	Bend	trans	-91.7	-36.3	177.8	-69	179.9	175	-171.1	0	112.6	V226 D227 A228 D229 P254 D255	V226-K262 PolarHBondContact O-N 3.1Å; D227-K262 WeakPolarHBondContact OD1-CD 3.41Å; D227-K262 WeakPolarHBondContact OD1-CE 3.38Å; D227-K262 WeakPolarHBondContact OD1-CG 3.49Å; A228-K262 WeakPolarHBondContact O-CB 3.47Å; D229-K262 WeakPolarHBondContact OD1-CD 3.09Å; D229-K262 IonicContact OD1-NZ 2.87Å; D229-K262 PolarHBondContact OD1-NZ 2.97Å; P254-K262 CarbonylContact C-O 3.5Å; P254-K262 WeakPolarHBondContact CA-O 3.4Å; D255-K262 PolarHBondContact N-O 2.88Å
263	V	94.8	Very high	92.1	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.012	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	128.4	-177.1	-172.2	0	0	0	0	110.4	V226 E230 I233 S252 C261 L265	V226-V263 PolarHBondContact N-O 3.47Å; V226-V263 PolarHBondContact O-N 3.27Å; E230-V263 HydrophobicContact CB-CG2 3.94Å; I233-V263 HydrophobicContact CD1-CB 4.09Å; I233-V263 HydrophobicContact CD1-CG1 4.05Å; I233-V263 HydrophobicContact CD1-CG2 4.22Å; S252-V263 VanDerWaalsContact OG-CG1 3.28Å; S252-V263 WeakPolarHBondContact OG-CG1 3.39Å; C261-V263 PolarHBondContact SG-O 3.29Å; C261-V263 VanDerWaalsContact SG-O 3.34Å; V263-L265 HydrophobicContact CG1-CD2 3.71Å; V263-L265 HydrophobicContact CG1-CG 4.37Å
264	R	95.8	Very high	92.2	Very high	80 Å²	80	50 Å²	50	30%	0.302	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	120.1	168.5	-177.8	175.6	62.4	84.3	13.6	108.9	E223 F225 Y253 V266	E223-R264 IonicContact OE1-NH1 2.8Å; E223-R264 PolarHBondContact OE1-NH1 3.34Å; E223-R264 VanDerWaalsContact OE1-NH1 3.07Å; F225-R264 HydrophobicContact CD1-CB 4.18Å; F225-R264 HydrophobicContact CD1-CG 3.99Å; F225-R264 HydrophobicContact CE1-CB 4.23Å; F225-R264 HydrophobicContact CE1-CG 3.65Å; F225-R264 HydrophobicContact CZ-CG 4.37Å; Y253-R264 WeakPolarHBondContact CB-O 3.49Å; Y253-R264 WeakPolarHBondContact CD2-O 3.32Å; Y253-R264 PolarHBondContact N-O 2.99Å; Y253-R264 PolarHBondContact O-N 2.91Å; R264-V266 HydrophobicContact CG-CG2 4.49Å
265	L	96.6	Very high	92.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	135.3	174.8	-55.4	177.9	0	0	0	109.2	E223 V224 V226 I233 L237 G251 V263 L282 L286	E223-L265 CarbonylContact C-O 3.51Å; E223-L265 VanDerWaalsContact CA-O 3.32Å; E223-L265 WeakPolarHBondContact CA-O 3.49Å; V224-L265 HydrophobicContact CB-CB 4.33Å; V224-L265 PolarHBondContact N-O 3.44Å; V224-L265 PolarHBondContact O-N 3.09Å; V226-L265 HydrophobicContact CG2-CD1 3.67Å; V226-L265 HydrophobicContact CG2-CG 4.07Å; I233-L265 HydrophobicContact CD1-CD1 4.27Å; I233-L265 HydrophobicContact CD1-CD2 4.08Å; L237-L265 HydrophobicContact CD1-CD2 3.73Å; L237-L265 HydrophobicContact CD2-CD1 3.74Å; L237-L265 HydrophobicContact CD2-CD2 4.01Å; G251-L265 WeakPolarHBondContact O-CA 3.35Å; V263-L265 HydrophobicContact CG1-CD2 3.71Å; V263-L265 HydrophobicContact CG1-CG 4.37Å; L265-L282 HydrophobicContact CB-CD2 4.28Å; L265-L282 HydrophobicContact CD1-CD1 4.2Å; L265-L282 HydrophobicContact CD1-CD2 3.85Å; L265-L282 HydrophobicContact CD1-CG 4.4Å; L265-L286 HydrophobicContact CD1-CD1 4.16Å; L265-L286 HydrophobicContact CD1-CD2 4.33Å
266	V	96.9	Very high	92.8	Very high	22 Å²	22	46.9 Å²	46.9	13%	0.133	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	126.3	178	-175.5	0	0	0	0	108.8	R222 E223 L250 G251 Y253 R264	R222-V266 WeakPolarHBondContact O-CA 3.35Å; E223-V266 HydrophobicContact CG-CG2 4.49Å; L250-V266 CarbonylContact C-O 3.59Å; L250-V266 WeakPolarHBondContact CA-O 3.32Å; G251-V266 PolarHBondContact N-O 3.41Å; G251-V266 PolarHBondContact O-N 2.95Å; Y253-V266 HydrophobicContact CD2-CG2 3.86Å; Y253-V266 HydrophobicContact CE2-CB 4Å; Y253-V266 HydrophobicContact CE2-CG2 3.67Å; R264-V266 HydrophobicContact CG-CG2 4.49Å
267	L	97.1	Very high	93.6	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	137.7	169.8	-54.8	95.1	0	0	0	108.9	S221 R222 V224 V248 A249 L250 V275 A278 R279 L282	S221-L267 CarbonylContact C-O 3.52Å; S221-L267 VanDerWaalsContact CA-O 3.24Å; S221-L267 WeakPolarHBondContact CA-O 3.39Å; R222-L267 HydrophobicContact CB-CB 4.46Å; R222-L267 HydrophobicContact CB-CD1 4.3Å; R222-L267 PolarHBondContact N-O 2.86Å; R222-L267 PolarHBondContact O-N 2.93Å; V224-L267 HydrophobicContact CG2-CD1 4.22Å; V248-L267 HydrophobicContact CG1-CB 3.99Å; V248-L267 HydrophobicContact CG1-CD2 4.25Å; A249-L267 CarbonylContact O-C 3.53Å; A249-L267 WeakPolarHBondContact O-CA 3.45Å; L250-L267 HydrophobicContact CD1-CD2 4.31Å; L250-L267 HydrophobicContact CD1-CG 3.85Å; L267-V275 HydrophobicContact CB-CG2 3.69Å; L267-A278 HydrophobicContact CD2-CB 3.66Å; L267-R279 HydrophobicContact CD1-CB 4.29Å; L267-R279 HydrophobicContact CD1-CG 4.31Å; L267-R279 HydrophobicContact CD2-CB 4.48Å; L267-L282 HydrophobicContact CD1-CD2 3.79Å; L267-L282 HydrophobicContact CD2-CD2 4.33Å; L267-L282 HydrophobicContact CG-CD2 4.37Å
268	D	94.6	Very high	94.3	Very high	35 Å²	35	39.3 Å²	39.3	19%	0.187	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	133.2	-174.2	-145.1	-102.3	0	0	0	111.5	R75 S221 V248 A249	R75-D268 IonicContact CZ-OD1 3.69Å; R75-D268 IonicContact CZ-OD2 3.15Å; R75-D268 IonicContact NH1-OD1 2.67Å; R75-D268 PolarHBondContact NH1-OD1 2.93Å; R75-D268 IonicContact NH1-OD2 3.95Å; R75-D268 IonicContact NH2-OD1 3.57Å; R75-D268 PolarHBondContact NH2-OD1 3.41Å; R75-D268 IonicContact NH2-OD2 3.93Å; R75-D268 PolarHBondContact NH2-OD2 2.97Å; S221-D268 WeakPolarHBondContact CB-OD2 3.48Å; S221-D268 PolarHBondContact OG-OD2 3.05Å; V248-D268 CarbonylContact C-O 3.58Å; V248-D268 VanDerWaalsContact CA-O 3.28Å; V248-D268 WeakPolarHBondContact CA-O 3.36Å; A249-D268 HydrophobicContact CB-CB 4.22Å; A249-D268 PolarHBondContact N-O 3.01Å; A249-D268 PolarHBondContact O-N 3.32Å
269	S	94.1	Very high	94.8	Very high	6 Å²	6	43.2 Å²	43.2	4%	0.042	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	159.4	177.6	-172.6	0	0	0	0	110.8	H220 R247 S271	H220-S269 PolarHBondContact N-O 3.03Å; H220-S269 PolarHBondContact O-N 2.68Å; R247-S269 WeakPolarHBondContact O-CB 3.28Å; R247-S269 PolarHBondContact O-OG 3.15Å; S269-S271 VanDerWaalsContact C-N 3.26Å; S269-S271 PolarHBondContact OG-N 3.49Å; S269-S271 PolarHBondContact OG-O 2.78Å
270	D	90.7	Very high	95.2	Very high	98 Å²	98	45.2 Å²	45.2	52%	0.524	22%	0.222	S	C	.	.	S	Bend	trans	-82.8	-4.1	164.1	58.5	2	0	0	0	112.7	T217 T218 F219	T217-D270 HydrophobicContact CG2-CB 4.23Å; T218-D270 CarbonylContact O-C 3.54Å; T218-D270 VanDerWaalsContact O-CA 3.32Å; T218-D270 WeakPolarHBondContact O-CA 3.44Å; F219-D270 HydrophobicContact CD1-CB 4.48Å
271	S	92.9	Very high	95.5	Very high	34 Å²	34	47.5 Å²	47.5	24%	0.238	23%	0.233	C	C	.	.			trans	-114.2	119.6	176	176.1	0	0	0	0	112.1	S269 E273 E274 V275	S269-S271 VanDerWaalsContact C-N 3.26Å; S269-S271 PolarHBondContact OG-N 3.49Å; S269-S271 PolarHBondContact OG-O 2.78Å; S271-E273 VanDerWaalsContact C-N 3.3Å; S271-E273 PolarHBondContact O-N 2.89Å; S271-E274 PolarHBondContact O-N 2.91Å; S271-E274 PolarHBondContact OG-N 2.92Å; S271-V275 PolarHBondContact O-N 3.01Å; S271-V275 VanDerWaalsContact O-N 3.14Å
272	Q	94.4	Very high	95.8	Very high	63 Å²	63	47.2 Å²	47.2	29%	0.294	23%	0.232	S	C	.	.	H	α-helix	trans	-60.2	-40.3	175.7	-173.3	51.7	94.6	0	0	112.1	H220 R222 V275 D276	H220-Q272 PolarHBondContact CD2-N 2.72Å; H220-Q272 PolarHBondContact ND1-OE1 2.82Å; R222-Q272 VanDerWaalsContact CZ-NE2 3.32Å; R222-Q272 VanDerWaalsContact NH2-OE1 3.11Å; Q272-V275 WeakPolarHBondContact O-CG1 3.28Å; Q272-D276 VanDerWaalsContact NE2-CG 3.29Å; Q272-D276 PolarHBondContact NE2-OD1 3.41Å; Q272-D276 PolarHBondContact NE2-OD2 2.9Å; Q272-D276 WeakPolarHBondContact O-CB 3.38Å; Q272-D276 PolarHBondContact O-N 2.85Å
273	E	96.6	Very high	96	Very high	121 Å²	121	46.2 Å²	46.2	57%	0.565	23%	0.233	S	C	*	.	H	α-helix	trans	-67	-41.3	-179.4	-174.6	-177.7	172.2	0	0	111.5	S271 K277	S271-E273 VanDerWaalsContact C-N 3.3Å; S271-E273 PolarHBondContact O-N 2.89Å; E273-K277 HydrophobicContact CG-CD 4.3Å; E273-K277 WeakPolarHBondContact O-CB 3.33Å; E273-K277 WeakPolarHBondContact O-CG 3.25Å; E273-K277 PolarHBondContact O-N 2.98Å; E273-K277 VanDerWaalsContact O-N 3.08Å; E273-K277 VanDerWaalsContact OE1-CE 3.24Å; E273-K277 WeakPolarHBondContact OE1-CE 3.33Å; E273-K277 IonicContact OE1-NZ 3.23Å; E273-K277 PolarHBondContact OE1-NZ 3.03Å
274	E	96.6	Very high	96.1	Very high	42 Å²	42	52.8 Å²	52.8	20%	0.196	27%	0.268	C	S	.	.	H	α-helix	trans	-69.7	-44	-178.4	-66.5	-165.6	128.6	0	0	112.1	W244 R247 V248 S271 D276 K277 A278	W244-E274 HydrophobicContact CZ3-CB 3.88Å; W244-E274 HydrophobicContact CZ3-CG 4.14Å; R247-E274 WeakPolarHBondContact CB-OE2 3.44Å; R247-E274 WeakPolarHBondContact CD-OE1 3.44Å; R247-E274 IonicContact CZ-OE1 3.74Å; R247-E274 IonicContact NE-OE1 2.74Å; R247-E274 IonicContact NH1-OE1 3.25Å; R247-E274 PolarHBondContact NH1-OE1 2.84Å; V248-E274 HydrophobicContact CG2-CB 4.01Å; S271-E274 PolarHBondContact O-N 2.91Å; S271-E274 PolarHBondContact OG-N 2.92Å; E274-D276 VanDerWaalsContact C-N 3.31Å; E274-D276 PolarHBondContact O-N 2.73Å; E274-K277 PolarHBondContact O-N 2.81Å; E274-A278 VanDerWaalsContact O-CB 3.3Å; E274-A278 WeakPolarHBondContact O-CB 3.45Å; E274-A278 PolarHBondContact O-N 2.99Å
275	V	97.2	Very high	96.1	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-64.8	-36.1	178.4	74.5	0	0	0	0	112	H220 R222 L267 S271 Q272 R279	H220-V275 HydrophobicContact CB-CG1 3.78Å; R222-V275 HydrophobicContact CB-CG2 4.04Å; R222-V275 HydrophobicContact CG-CG1 4.08Å; R222-V275 HydrophobicContact CG-CG2 3.78Å; L267-V275 HydrophobicContact CB-CG2 3.69Å; S271-V275 PolarHBondContact O-N 3.01Å; S271-V275 VanDerWaalsContact O-N 3.14Å; Q272-V275 WeakPolarHBondContact O-CG1 3.28Å; V275-R279 VanDerWaalsContact O-CB 3.3Å; V275-R279 WeakPolarHBondContact O-CB 3.42Å; V275-R279 PolarHBondContact O-N 2.96Å
276	D	97.8	Very high	96.1	Very high	57 Å²	57	52 Å²	52	31%	0.305	27%	0.267	S	S	.	.	H	α-helix	trans	-69.7	-41.9	178.1	-76	-30.5	0	0	0	111.7	R222 Q272 E274 R279 A280	R222-D276 IonicContact CZ-OD1 3.93Å; R222-D276 VanDerWaalsContact CZ-OD1 3.25Å; R222-D276 IonicContact NE-OD1 3.22Å; R222-D276 PolarHBondContact NE-OD1 2.85Å; R222-D276 IonicContact NH2-OD1 3.89Å; R222-D276 PolarHBondContact NH2-OD1 3.46Å; R222-D276 VanDerWaalsContact NH2-OD1 3.08Å; R222-D276 IonicContact NH2-OD2 2.88Å; R222-D276 PolarHBondContact NH2-OD2 2.62Å; Q272-D276 VanDerWaalsContact NE2-CG 3.29Å; Q272-D276 PolarHBondContact NE2-OD1 3.41Å; Q272-D276 PolarHBondContact NE2-OD2 2.9Å; Q272-D276 WeakPolarHBondContact O-CB 3.38Å; Q272-D276 PolarHBondContact O-N 2.85Å; E274-D276 VanDerWaalsContact C-N 3.31Å; E274-D276 PolarHBondContact O-N 2.73Å; D276-R279 PolarHBondContact O-N 2.81Å; D276-A280 PolarHBondContact O-N 2.99Å
277	K	97.8	Very high	96	Very high	114 Å²	114	53.7 Å²	53.7	50%	0.496	28%	0.279	S	S	.	.	H	α-helix	trans	-62.9	-45.5	173.3	-75.2	177.7	-175.3	173.4	0	111.7	W244 E273 E274 R279 A280 Q281	W244-K277 HydrophobicContact CH2-CB 3.75Å; W244-K277 HydrophobicContact CZ2-CB 4.04Å; E273-K277 HydrophobicContact CG-CD 4.3Å; E273-K277 WeakPolarHBondContact O-CB 3.33Å; E273-K277 WeakPolarHBondContact O-CG 3.25Å; E273-K277 PolarHBondContact O-N 2.98Å; E273-K277 VanDerWaalsContact O-N 3.08Å; E273-K277 VanDerWaalsContact OE1-CE 3.24Å; E273-K277 WeakPolarHBondContact OE1-CE 3.33Å; E273-K277 IonicContact OE1-NZ 3.23Å; E273-K277 PolarHBondContact OE1-NZ 3.03Å; E274-K277 PolarHBondContact O-N 2.81Å; K277-R279 VanDerWaalsContact C-N 3.32Å; K277-R279 PolarHBondContact O-N 3.17Å; K277-A280 PolarHBondContact O-N 3.06Å; K277-Q281 WeakPolarHBondContact O-CB 3.32Å; K277-Q281 PolarHBondContact O-N 3.26Å
278	A	97.7	Very high	95.8	Very high	0 Å²	0	64 Å²	64	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-62.2	-40.4	178	0	0	0	0	0	111.7	W244 V248 L267 E274 Q281 L282	W244-A278 HydrophobicContact CD2-CB 3.94Å; W244-A278 VanDerWaalsContact CE2-CB 3.49Å; W244-A278 HydrophobicContact CG-CB 4.33Å; W244-A278 HydrophobicContact CH2-CB 4.38Å; W244-A278 HydrophobicContact CZ2-CB 3.75Å; V248-A278 HydrophobicContact CB-CB 4.29Å; V248-A278 HydrophobicContact CG1-CB 3.93Å; V248-A278 HydrophobicContact CG2-CB 3.98Å; L267-A278 HydrophobicContact CD2-CB 3.66Å; E274-A278 VanDerWaalsContact O-CB 3.3Å; E274-A278 WeakPolarHBondContact O-CB 3.45Å; E274-A278 PolarHBondContact O-N 2.99Å; A278-Q281 PolarHBondContact O-N 2.86Å; A278-L282 WeakPolarHBondContact O-CB 3.34Å; A278-L282 PolarHBondContact O-N 3.2Å
279	R	97.6	Very high	95.6	Very high	108 Å²	108	66 Å²	66	41%	0.408	35%	0.353	S	S	.	.	H	α-helix	trans	-63	-45.9	175.8	-172.3	-168.4	81	118.5	-1.7	111.6	R222 V224 L267 V275 D276 K277 Q281 L282 V283	R222-R279 HydrophobicContact CB-CB 4.32Å; R222-R279 HydrophobicContact CB-CG 4.21Å; R222-R279 HydrophobicContact CG-CB 4.5Å; V224-R279 HydrophobicContact CG2-CG 3.8Å; L267-R279 HydrophobicContact CD1-CB 4.29Å; L267-R279 HydrophobicContact CD1-CG 4.31Å; L267-R279 HydrophobicContact CD2-CB 4.48Å; V275-R279 VanDerWaalsContact O-CB 3.3Å; V275-R279 WeakPolarHBondContact O-CB 3.42Å; V275-R279 PolarHBondContact O-N 2.96Å; D276-R279 PolarHBondContact O-N 2.81Å; K277-R279 VanDerWaalsContact C-N 3.32Å; K277-R279 PolarHBondContact O-N 3.17Å; R279-Q281 VanDerWaalsContact C-N 3.33Å; R279-Q281 PolarHBondContact O-N 3.32Å; R279-L282 WeakPolarHBondContact O-CB 3.49Å; R279-L282 PolarHBondContact O-N 3.04Å; R279-V283 VanDerWaalsContact O-CG2 3.29Å; R279-V283 WeakPolarHBondContact O-CG2 3.33Å; R279-V283 PolarHBondContact O-N 3.26Å
280	A	97.3	Very high	95.6	Very high	59 Å²	59	66.1 Å²	66.1	49%	0.488	35%	0.353	S	S	.	.	H	α-helix	trans	-61	-44.3	178.1	0	0	0	0	0	111.3	D276 K277 V283 D284	D276-A280 PolarHBondContact O-N 2.99Å; K277-A280 PolarHBondContact O-N 3.06Å; A280-V283 PolarHBondContact O-N 3.07Å; A280-D284 PolarHBondContact O-N 2.57Å; A280-D284 VanDerWaalsContact O-N 3.13Å
281	Q	96.9	Very high	95.8	Very high	68 Å²	68	64.2 Å²	64.2	32%	0.318	35%	0.345	S	S	.	.	H	α-helix	trans	-64.4	-39.1	176.4	-173.1	-177.4	12.6	0	0	112.6	L240 K277 A278 R279 D284 Q285	L240-Q281 HydrophobicContact CD1-CB 4.23Å; L240-Q281 HydrophobicContact CD1-CG 3.71Å; K277-Q281 WeakPolarHBondContact O-CB 3.32Å; K277-Q281 PolarHBondContact O-N 3.26Å; A278-Q281 PolarHBondContact O-N 2.86Å; R279-Q281 VanDerWaalsContact C-N 3.33Å; R279-Q281 PolarHBondContact O-N 3.32Å; Q281-D284 PolarHBondContact O-N 3.26Å; Q281-Q285 VanDerWaalsContact NE2-NE2 3.2Å; Q281-Q285 WeakPolarHBondContact O-CG 3.42Å; Q281-Q285 PolarHBondContact O-N 2.75Å
282	L	97	Very high	95.7	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-60	-50.9	175	177	62.5	0	0	0	110.8	V224 L237 L240 L250 L265 L267 A278 R279 D284 Q285 L286	V224-L282 HydrophobicContact CB-CD2 4.3Å; V224-L282 HydrophobicContact CG2-CD2 4.06Å; L237-L282 HydrophobicContact CD2-CD1 3.66Å; L240-L282 HydrophobicContact CD2-CB 3.61Å; L240-L282 HydrophobicContact CD2-CD1 3.75Å; L240-L282 HydrophobicContact CD2-CG 4.19Å; L250-L282 HydrophobicContact CD1-CD2 4.22Å; L265-L282 HydrophobicContact CB-CD2 4.28Å; L265-L282 HydrophobicContact CD1-CD1 4.2Å; L265-L282 HydrophobicContact CD1-CD2 3.85Å; L265-L282 HydrophobicContact CD1-CG 4.4Å; L267-L282 HydrophobicContact CD1-CD2 3.79Å; L267-L282 HydrophobicContact CD2-CD2 4.33Å; L267-L282 HydrophobicContact CG-CD2 4.37Å; A278-L282 WeakPolarHBondContact O-CB 3.34Å; A278-L282 PolarHBondContact O-N 3.2Å; R279-L282 WeakPolarHBondContact O-CB 3.49Å; R279-L282 PolarHBondContact O-N 3.04Å; L282-D284 VanDerWaalsContact C-N 3.28Å; L282-D284 PolarHBondContact O-N 2.87Å; L282-Q285 PolarHBondContact O-N 3.32Å; L282-Q285 VanDerWaalsContact O-N 3.15Å; L282-L286 HydrophobicContact CD1-CD1 4.2Å; L282-L286 HydrophobicContact CD1-CD2 4.33Å; L282-L286 HydrophobicContact CD1-CG 4.06Å; L282-L286 HydrophobicContact CG-CD1 3.97Å; L282-L286 HydrophobicContact CG-CG 4.29Å; L282-L286 VanDerWaalsContact O-CG 3.3Å; L282-L286 WeakPolarHBondContact O-CG 3.33Å; L282-L286 PolarHBondContact O-N 3.46Å
283	V	96.8	Very high	95.3	Very high	61 Å²	61	66.6 Å²	66.6	37%	0.37	37%	0.367	S	S	.	.	H	α-helix	trans	-59.6	-39	-178.4	170.1	0	0	0	0	111.5	V224 R279 A280 V291	V224-V283 HydrophobicContact CG1-CG2 4.28Å; V224-V283 HydrophobicContact CG2-CG2 4.17Å; R279-V283 VanDerWaalsContact O-CG2 3.29Å; R279-V283 WeakPolarHBondContact O-CG2 3.33Å; R279-V283 PolarHBondContact O-N 3.26Å; A280-V283 PolarHBondContact O-N 3.07Å; V283-V291 HydrophobicContact CG1-CG2 4.39Å
284	D	96.4	Very high	94.6	Very high	140 Å²	140	63.4 Å²	63.4	75%	0.749	35%	0.354	S	S	*	.	H	α-helix	trans	-67.4	-34.9	177.3	-176.8	65.9	0	0	0	113.3	A280 Q281 L282	A280-D284 PolarHBondContact O-N 2.57Å; A280-D284 VanDerWaalsContact O-N 3.13Å; Q281-D284 PolarHBondContact O-N 3.26Å; L282-D284 VanDerWaalsContact C-N 3.28Å; L282-D284 PolarHBondContact O-N 2.87Å
285	Q	95.9	Very high	94.1	Very high	56 Å²	56	64.1 Å²	64.1	26%	0.262	36%	0.359	S	S	.	.	H	α-helix	trans	-89	-15	-177.6	-67.7	-178.5	34.1	0	0	114.2	V236 Q281 L282	V236-Q285 HydrophobicContact CG1-CB 3.6Å; Q281-Q285 VanDerWaalsContact NE2-NE2 3.2Å; Q281-Q285 WeakPolarHBondContact O-CG 3.42Å; Q281-Q285 PolarHBondContact O-N 2.75Å; L282-Q285 PolarHBondContact O-N 3.32Å; L282-Q285 VanDerWaalsContact O-N 3.15Å
286	L	96.7	Very high	93.3	Very high	7 Å²	7	70.9 Å²	70.9	4%	0.037	39%	0.388	C	S	.	.	S	Bend	trans	-68.1	154.7	175.1	-77.9	171.2	0	0	0	111.1	V224 V226 I233 L265 L282 K288 V291	V224-L286 HydrophobicContact CG1-CD1 4.06Å; V226-L286 HydrophobicContact CG2-CD1 3.87Å; I233-L286 HydrophobicContact CB-CD2 3.95Å; I233-L286 HydrophobicContact CG2-CD2 3.68Å; L265-L286 HydrophobicContact CD1-CD1 4.16Å; L265-L286 HydrophobicContact CD1-CD2 4.33Å; L282-L286 HydrophobicContact CD1-CD1 4.2Å; L282-L286 HydrophobicContact CD1-CD2 4.33Å; L282-L286 HydrophobicContact CD1-CG 4.06Å; L282-L286 HydrophobicContact CG-CD1 3.97Å; L282-L286 HydrophobicContact CG-CG 4.29Å; L282-L286 VanDerWaalsContact O-CG 3.3Å; L282-L286 WeakPolarHBondContact O-CG 3.33Å; L282-L286 PolarHBondContact O-N 3.46Å; L286-K288 PolarHBondContact O-N 2.91Å; L286-V291 HydrophobicContact CB-CG2 4.27Å; L286-V291 HydrophobicContact CD1-CG2 3.7Å
287	P	94.6	Very high	92.9	Very high	57 Å²	57	71.3 Å²	71.3	37%	0.37	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-53.1	134.2	175.8	-24.8	33.5	0	0	0	111.5	I233 G289 S290	I233-P287 HydrophobicContact CG2-CG 4.25Å; P287-G289 PolarHBondContact O-N 3.07Å; P287-S290 VanDerWaalsContact O-CB 3.25Å; P287-S290 WeakPolarHBondContact O-CB 3.31Å; P287-S290 PolarHBondContact O-N 2.85Å; P287-S290 PolarHBondContact O-OG 3.07Å
288	K	93.1	Very high	92.5	Very high	217 Å²	217	66 Å²	66	94%	0.943	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	129.9	-178.1	-69.7	-172.8	177.6	-177	0	110.7	L286 S290	L286-K288 PolarHBondContact O-N 2.91Å; K288-S290 VanDerWaalsContact C-N 3.27Å; K288-S290 PolarHBondContact O-N 3.22Å
289	G	90.4	Very high	92.3	Very high	78 Å²	78	66 Å²	66	80%	0.804	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	-2.8	-179.1	0	0	0	0	0	115.3	P287	P287-G289 PolarHBondContact O-N 3.07Å
290	S	93.2	Very high	92	Very high	8 Å²	8	65.4 Å²	65.4	6%	0.056	38%	0.376	C	S	.	.			trans	-76.9	-23.8	177.9	65.8	0	0	0	0	113.7	V226 D227 P287 K288 V292	V226-S290 CarbonylContact C-O 3.6Å; V226-S290 VanDerWaalsContact CA-O 3.3Å; V226-S290 WeakPolarHBondContact CA-O 3.25Å; D227-S290 PolarHBondContact N-O 3.32Å; P287-S290 VanDerWaalsContact O-CB 3.25Å; P287-S290 WeakPolarHBondContact O-CB 3.31Å; P287-S290 PolarHBondContact O-N 2.85Å; P287-S290 PolarHBondContact O-OG 3.07Å; K288-S290 VanDerWaalsContact C-N 3.27Å; K288-S290 PolarHBondContact O-N 3.22Å; S290-V292 PolarHBondContact O-N 2.87Å
291	V	94.1	Very high	91.8	Very high	59 Å²	59	65.7 Å²	65.7	36%	0.358	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	123.2	178.3	179.7	0	0	0	0	109.4	V224 F225 V283 L286	V224-V291 HydrophobicContact CG1-CG1 3.96Å; V224-V291 HydrophobicContact CG1-CG2 4.12Å; F225-V291 WeakPolarHBondContact O-CA 3.26Å; V283-V291 HydrophobicContact CG1-CG2 4.39Å; L286-V291 HydrophobicContact CB-CG2 4.27Å; L286-V291 HydrophobicContact CD1-CG2 3.7Å
292	V	91.3	Very high	91.7	Very high	38 Å²	38	62.5 Å²	62.5	23%	0.23	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	147.6	-175.6	-66.9	0	0	0	0	111.2	F225 D227 Y260 C261 S290	F225-V292 HydrophobicContact CB-CG2 3.95Å; F225-V292 PolarHBondContact O-N 3.34Å; D227-V292 HydrophobicContact CB-CG1 3.77Å; D227-V292 HydrophobicContact CB-CG2 4.42Å; Y260-V292 WeakPolarHBondContact O-CG2 3.42Å; C261-V292 HydrophobicContact CB-CG2 4.34Å; S290-V292 PolarHBondContact O-N 2.87Å
293	S	86.7	Confident	91.6	Very high	109 Å²	109	63.7 Å²	63.7	76%	0.762	36%	0.362	S	S	*	.			trans	-83.3	123.8	168.6	-67.6	0	0	0	0	108.9
294	L	82.6	Confident	91.6	Very high	54 Å²	54	63.4 Å²	63.4	28%	0.283	37%	0.366	S	S	.	.			trans	-98	120.3	177	-172.7	68.5	0	0	0	111	F225 C261 K296	F225-L294 HydrophobicContact CB-CB 4.32Å; F225-L294 HydrophobicContact CD1-CB 4.01Å; F225-L294 HydrophobicContact CD1-CD2 3.61Å; F225-L294 HydrophobicContact CD1-CG 4.42Å; F225-L294 HydrophobicContact CD2-CB 3.88Å; F225-L294 HydrophobicContact CE1-CB 4.28Å; F225-L294 HydrophobicContact CE1-CD2 3.43Å; F225-L294 VanDerWaalsContact CE1-CD2 3.43Å; F225-L294 HydrophobicContact CE1-CG 4.5Å; F225-L294 HydrophobicContact CE2-CB 4.2Å; F225-L294 HydrophobicContact CG-CB 3.8Å; F225-L294 HydrophobicContact CG-CD2 4.28Å; F225-L294 HydrophobicContact CZ-CB 4.39Å; F225-L294 HydrophobicContact CZ-CD2 4.02Å; C261-L294 HydrophobicContact CB-CD1 4.18Å; L294-K296 HydrophobicContact CD2-CG 4.46Å; L294-K296 PolarHBondContact O-N 2.87Å
295	I	84.6	Confident	91.6	Very high	57 Å²	57	59.3 Å²	59.3	29%	0.292	34%	0.342	S	S	.	.			trans	-79.5	102.5	164.8	-55.3	-171	0	0	0	107.6	D297 P298 I301 H473	I295-D297 PolarHBondContact O-N 3.46Å; I295-P298 HydrophobicContact CG2-CB 4.03Å; I295-I301 HydrophobicContact CD1-CD1 4.43Å; I295-I301 HydrophobicContact CG2-CD1 3.68Å; I295-H473 HydrophobicContact CB-CB 4.12Å; I295-H473 HydrophobicContact CD1-CB 3.95Å; I295-H473 WeakPolarHBondContact CD1-ND1 3.32Å; I295-H473 HydrophobicContact CG1-CB 4.19Å
296	K	81.9	Confident	91.7	Very high	141 Å²	141	56.7 Å²	56.7	61%	0.613	33%	0.329	S	S	*	.	S	Bend	trans	-64.3	-38.7	-176.2	-67.5	-174.1	176.6	-174.8	0	112.4	E223 L294	E223-K296 IonicContact OE2-NZ 2.61Å; E223-K296 PolarHBondContact OE2-NZ 3.01Å; L294-K296 HydrophobicContact CD2-CG 4.46Å; L294-K296 PolarHBondContact O-N 2.87Å
297	D	88.5	Confident	91.8	Very high	66 Å²	66	57.3 Å²	57.3	35%	0.353	33%	0.331	S	S	.	.			trans	-133.4	81.8	178.7	-168.9	3.2	0	0	0	113.1	I295 V299 T300 K395	I295-D297 PolarHBondContact O-N 3.46Å; D297-V299 PolarHBondContact O-N 2.82Å; D297-V299 PolarHBondContact OD1-N 3.45Å; D297-V299 VanDerWaalsContact OD1-N 3.17Å; D297-T300 PolarHBondContact OD1-N 3.34Å; D297-T300 VanDerWaalsContact OD2-CB 3.27Å; D297-T300 WeakPolarHBondContact OD2-CB 3.48Å; D297-T300 PolarHBondContact OD2-OG1 2.92Å; D297-K395 WeakPolarHBondContact OD1-CE 3.39Å
298	P	90	Very high	91.9	Very high	3 Å²	3	61.2 Å²	61.2	2%	0.019	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-19.2	177.4	26	-35.6	0	0	0	113.4	I295 A302 H473 P475	I295-P298 HydrophobicContact CG2-CB 4.03Å; P298-A302 WeakPolarHBondContact O-CB 3.24Å; P298-A302 PolarHBondContact O-N 3.2Å; P298-H473 WeakPolarHBondContact CG-O 3.41Å; P298-P475 HydrophobicContact CG-CG 4.1Å
299	V	92.3	Very high	92.2	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-42.9	-176.6	176.2	0	0	0	0	110.8	D297 I301 A302 Y357 K395 Y396	D297-V299 PolarHBondContact O-N 2.82Å; D297-V299 PolarHBondContact OD1-N 3.45Å; D297-V299 VanDerWaalsContact OD1-N 3.17Å; V299-I301 VanDerWaalsContact C-N 3.28Å; V299-I301 PolarHBondContact O-N 3.11Å; V299-A302 WeakPolarHBondContact O-CB 3.32Å; V299-A302 PolarHBondContact O-N 3.4Å; V299-A302 VanDerWaalsContact O-N 3.16Å; V299-Y357 HydrophobicContact CG1-CD1 4.14Å; V299-Y357 HydrophobicContact CG1-CE1 3.64Å; V299-Y357 HydrophobicContact CG1-CE2 4.33Å; V299-Y357 WeakPolarHBondContact O-CE1 3.41Å; V299-K395 HydrophobicContact CB-CD 4.44Å; V299-K395 HydrophobicContact CB-CG 4.11Å; V299-K395 HydrophobicContact CG2-CD 3.68Å; V299-K395 HydrophobicContact CG2-CG 3.72Å; V299-Y396 HydrophobicContact CB-CE1 4.29Å; V299-Y396 HydrophobicContact CG1-CD1 3.55Å; V299-Y396 HydrophobicContact CG1-CE1 3.68Å; V299-Y396 HydrophobicContact CG1-CG 4.04Å; V299-Y396 HydrophobicContact CG2-CD1 4.17Å; V299-Y396 HydrophobicContact CG2-CD2 4.11Å; V299-Y396 HydrophobicContact CG2-CE1 3.67Å; V299-Y396 HydrophobicContact CG2-CE2 3.62Å; V299-Y396 HydrophobicContact CG2-CG 4.38Å
300	T	91.6	Very high	92.5	Very high	96 Å²	96	48.3 Å²	48.3	59%	0.589	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-36.4	178	-67.9	0	0	0	0	112.5	D297	D297-T300 PolarHBondContact OD1-N 3.34Å; D297-T300 VanDerWaalsContact OD2-CB 3.27Å; D297-T300 WeakPolarHBondContact OD2-CB 3.48Å; D297-T300 PolarHBondContact OD2-OG1 2.92Å
301	I	93.6	Very high	92.7	Very high	65 Å²	65	53.5 Å²	53.5	33%	0.333	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-6.3	178.8	66.5	173.6	0	0	0	113.8	I295 V299 P303 A304 E305	I295-I301 HydrophobicContact CD1-CD1 4.43Å; I295-I301 HydrophobicContact CG2-CD1 3.68Å; V299-I301 VanDerWaalsContact C-N 3.28Å; V299-I301 PolarHBondContact O-N 3.11Å; I301-P303 VanDerWaalsContact C-CD 3.43Å; I301-A304 PolarHBondContact O-N 3.37Å; I301-A304 VanDerWaalsContact O-N 3.08Å; I301-E305 HydrophobicContact CB-CG 4.16Å; I301-E305 HydrophobicContact CD1-CG 3.76Å; I301-E305 HydrophobicContact CG1-CG 3.83Å; I301-E305 WeakPolarHBondContact O-CG 3.33Å; I301-E305 PolarHBondContact O-N 2.86Å; I301-E305 VanDerWaalsContact O-N 3.11Å
302	A	94.6	Very high	92.9	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-50.4	-46.2	-173.3	0	0	0	0	0	114.2	P298 V299 A304 E305 V306 H354 Y357 S358	P298-A302 WeakPolarHBondContact O-CB 3.24Å; P298-A302 PolarHBondContact O-N 3.2Å; V299-A302 WeakPolarHBondContact O-CB 3.32Å; V299-A302 PolarHBondContact O-N 3.4Å; V299-A302 VanDerWaalsContact O-N 3.16Å; A302-A304 VanDerWaalsContact C-N 3.26Å; A302-A304 PolarHBondContact O-N 3.34Å; A302-E305 PolarHBondContact O-N 2.99Å; A302-V306 VanDerWaalsContact O-CB 3.28Å; A302-V306 WeakPolarHBondContact O-CB 3.46Å; A302-V306 WeakPolarHBondContact O-CG2 3.35Å; A302-V306 PolarHBondContact O-N 3.13Å; A302-H354 WeakPolarHBondContact CB-CE1 3.49Å; A302-H354 WeakPolarHBondContact CB-NE2 3.47Å; A302-Y357 HydrophobicContact CB-CD1 4.29Å; A302-S358 WeakPolarHBondContact CB-OG 3.31Å; A302-S358 PolarHBondContact O-OG 2.73Å
303	P	94.6	Very high	93.1	Very high	26 Å²	26	54.4 Å²	54.4	17%	0.169	31%	0.309	C	S	.	.	H	α-helix	trans	-61.1	-33.3	-178.2	-22	34.1	0	0	0	113.5	I301 Y307 K361	I301-P303 VanDerWaalsContact C-CD 3.43Å; P303-Y307 WeakPolarHBondContact O-CD2 3.3Å; P303-K361 HydrophobicContact CG-CB 3.72Å
304	A	96.1	Very high	93.6	Very high	55 Å²	55	52.3 Å²	52.3	46%	0.455	29%	0.292	S	S	.	.	H	α-helix	trans	-77.8	-46.8	177.5	0	0	0	0	0	111.2	I301 A302 R308	I301-A304 PolarHBondContact O-N 3.37Å; I301-A304 VanDerWaalsContact O-N 3.08Å; A302-A304 VanDerWaalsContact C-N 3.26Å; A302-A304 PolarHBondContact O-N 3.34Å; A304-R308 WeakPolarHBondContact O-CB 3.39Å; A304-R308 PolarHBondContact O-N 2.85Å
305	E	97.2	Very high	94.4	Very high	54 Å²	54	53.7 Å²	53.7	25%	0.252	31%	0.311	S	S	.	.	H	α-helix	trans	-68.8	-45	-175	-63.5	-57.8	123.4	0	0	112.7	I301 A302 Y307 R308 L309 L472	I301-E305 HydrophobicContact CB-CG 4.16Å; I301-E305 HydrophobicContact CD1-CG 3.76Å; I301-E305 HydrophobicContact CG1-CG 3.83Å; I301-E305 WeakPolarHBondContact O-CG 3.33Å; I301-E305 PolarHBondContact O-N 2.86Å; I301-E305 VanDerWaalsContact O-N 3.11Å; A302-E305 PolarHBondContact O-N 2.99Å; E305-Y307 PolarHBondContact O-N 2.78Å; E305-R308 PolarHBondContact O-N 3.5Å; E305-R308 IonicContact OE1-CZ 3.48Å; E305-R308 IonicContact OE1-NH1 3.84Å; E305-R308 PolarHBondContact OE1-NH1 3.08Å; E305-R308 IonicContact OE1-NH2 2.71Å; E305-R308 PolarHBondContact OE1-NH2 3.1Å; E305-R308 IonicContact OE2-CZ 2.72Å; E305-R308 IonicContact OE2-NH1 3.83Å; E305-R308 PolarHBondContact OE2-NH1 2.89Å; E305-L309 PolarHBondContact O-N 3.49Å; E305-L472 HydrophobicContact CB-CD2 3.92Å
306	V	98.1	Very high	95	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-59.9	-46.8	179	165.7	0	0	0	0	111	A302 R308 L309 A310 V320 L324 L355 S358 F468 L472	A302-V306 VanDerWaalsContact O-CB 3.28Å; A302-V306 WeakPolarHBondContact O-CB 3.46Å; A302-V306 WeakPolarHBondContact O-CG2 3.35Å; A302-V306 PolarHBondContact O-N 3.13Å; V306-R308 VanDerWaalsContact C-N 3.34Å; V306-L309 PolarHBondContact O-N 2.93Å; V306-A310 WeakPolarHBondContact O-CB 3.44Å; V306-A310 PolarHBondContact O-N 2.89Å; V306-V320 HydrophobicContact CG1-CG1 4.11Å; V306-L324 HydrophobicContact CG1-CD1 4Å; V306-L324 HydrophobicContact CG1-CD2 3.92Å; V306-L324 HydrophobicContact CG1-CG 4.39Å; V306-L355 HydrophobicContact CG1-CD2 3.74Å; V306-S358 WeakPolarHBondContact CG2-OG 3.29Å; V306-F468 HydrophobicContact CG2-CE2 4.45Å; V306-F468 HydrophobicContact CG2-CZ 4.25Å; V306-L472 HydrophobicContact CG2-CD1 3.56Å
307	Y	97.9	Very high	95.8	Very high	20 Å²	20	45.2 Å²	45.2	8%	0.078	27%	0.273	C	S	.	.	H	α-helix	trans	-74	-26.1	179.3	-79.8	-94.4	0	0	0	112.6	P303 E305 N311 L324 E328 T359 R362	P303-Y307 WeakPolarHBondContact O-CD2 3.3Å; E305-Y307 PolarHBondContact O-N 2.78Å; Y307-N311 PolarHBondContact O-N 3.49Å; Y307-N311 PolarHBondContact O-ND2 2.87Å; Y307-L324 HydrophobicContact CD1-CD1 4.09Å; Y307-L324 HydrophobicContact CE1-CD1 3.96Å; Y307-L324 HydrophobicContact CE2-CD1 4.41Å; Y307-L324 HydrophobicContact CE2-CD2 4.24Å; Y307-L324 HydrophobicContact CG-CD1 4.38Å; Y307-E328 PolarHBondContact OH-OE1 3.17Å; Y307-T359 PolarHBondContact OH-OG1 3Å; Y307-R362 VanDerWaalsContact CE1-CD 3.49Å; Y307-R362 HydrophobicContact CE2-CB 4.1Å; Y307-R362 HydrophobicContact CE2-CG 4.35Å
308	R	98.1	Very high	96.2	Very high	139 Å²	139	46.2 Å²	46.2	53%	0.525	28%	0.276	S	S	.	.	H	α-helix	trans	-66.5	-44.7	169.3	-163.9	-176.6	-48.2	114.6	8	110.8	A304 E305 V306 A310 N311 S312	A304-R308 WeakPolarHBondContact O-CB 3.39Å; A304-R308 PolarHBondContact O-N 2.85Å; E305-R308 PolarHBondContact O-N 3.5Å; E305-R308 IonicContact OE1-CZ 3.48Å; E305-R308 IonicContact OE1-NH1 3.84Å; E305-R308 PolarHBondContact OE1-NH1 3.08Å; E305-R308 IonicContact OE1-NH2 2.71Å; E305-R308 PolarHBondContact OE1-NH2 3.1Å; E305-R308 IonicContact OE2-CZ 2.72Å; E305-R308 IonicContact OE2-NH1 3.83Å; E305-R308 PolarHBondContact OE2-NH1 2.89Å; V306-R308 VanDerWaalsContact C-N 3.34Å; R308-A310 VanDerWaalsContact C-N 3.34Å; R308-A310 PolarHBondContact O-N 3.35Å; R308-N311 CarbonylContact O-C 3.54Å; R308-N311 PolarHBondContact O-N 3.29Å; R308-N311 VanDerWaalsContact O-N 3.14Å; R308-S312 PolarHBondContact O-N 2.78Å; R308-S312 VanDerWaalsContact O-N 3.14Å
309	L	98.1	Very high	96.6	Very high	21 Å²	21	49 Å²	49	11%	0.11	29%	0.287	C	S	.	.	H	α-helix	trans	-60.4	-44	175.1	179.2	58.3	0	0	0	111.2	E305 V306 N311 S312 L316 G317 V320 F468 T471 L472	E305-L309 PolarHBondContact O-N 3.49Å; V306-L309 PolarHBondContact O-N 2.93Å; L309-N311 PolarHBondContact O-N 3.34Å; L309-S312 VanDerWaalsContact O-CB 3.27Å; L309-S312 WeakPolarHBondContact O-CB 3.31Å; L309-S312 PolarHBondContact O-N 3.47Å; L309-S312 PolarHBondContact O-OG 2.71Å; L309-L316 HydrophobicContact CD1-CD2 4.43Å; L309-L316 HydrophobicContact CD2-CD2 4.16Å; L309-L316 HydrophobicContact CD2-CG 4.42Å; L309-G317 WeakPolarHBondContact O-CA 3.38Å; L309-V320 HydrophobicContact CD2-CG2 3.96Å; L309-V320 HydrophobicContact CG-CG2 4.25Å; L309-F468 HydrophobicContact CD2-CD2 3.99Å; L309-F468 HydrophobicContact CD2-CE2 4.37Å; L309-T471 HydrophobicContact CD1-CG2 4.46Å; L309-T471 HydrophobicContact CD2-CG2 4.43Å; L309-L472 HydrophobicContact CD2-CD1 4.16Å; L309-L472 HydrophobicContact CD2-CD2 4.18Å; L309-L472 HydrophobicContact CD2-CG 4.11Å
310	A	98.1	Very high	96.9	Very high	3 Å²	3	49 Å²	49	3%	0.025	29%	0.287	C	S	.	.	H	α-helix	trans	-57.6	-30.6	175.9	0	0	0	0	0	113.4	V306 R308 G317 V320 K321 L324	V306-A310 WeakPolarHBondContact O-CB 3.44Å; V306-A310 PolarHBondContact O-N 2.89Å; R308-A310 VanDerWaalsContact C-N 3.34Å; R308-A310 PolarHBondContact O-N 3.35Å; A310-G317 WeakPolarHBondContact CA-O 3.34Å; A310-V320 HydrophobicContact CB-CG1 3.9Å; A310-K321 HydrophobicContact CB-CB 4.22Å; A310-L324 HydrophobicContact CB-CD1 3.72Å
311	N	97.8	Very high	97.3	Very high	117 Å²	117	49.1 Å²	49.1	63%	0.626	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	9.3	-179.7	-67.1	-50.3	0	0	0	113.5	Y307 R308 L309 G313	Y307-N311 PolarHBondContact O-N 3.49Å; Y307-N311 PolarHBondContact O-ND2 2.87Å; R308-N311 CarbonylContact O-C 3.54Å; R308-N311 PolarHBondContact O-N 3.29Å; R308-N311 VanDerWaalsContact O-N 3.14Å; L309-N311 PolarHBondContact O-N 3.34Å; N311-G313 VanDerWaalsContact C-N 3.29Å; N311-G313 PolarHBondContact O-N 2.96Å
312	S	97.2	Very high	97.5	Very high	56 Å²	56	49.8 Å²	49.8	39%	0.392	29%	0.289	S	S	.	.	S	Bend	trans	-74.9	-15.2	-176.4	64.8	0	0	0	0	114.4	R308 L309 T314	R308-S312 PolarHBondContact O-N 2.78Å; R308-S312 VanDerWaalsContact O-N 3.14Å; L309-S312 VanDerWaalsContact O-CB 3.27Å; L309-S312 WeakPolarHBondContact O-CB 3.31Å; L309-S312 PolarHBondContact O-N 3.47Å; L309-S312 PolarHBondContact O-OG 2.71Å; S312-T314 PolarHBondContact O-N 3.44Å; S312-T314 PolarHBondContact OG-N 3.43Å; S312-T314 PolarHBondContact OG-OG1 3.07Å
313	G	95.8	Very high	97.7	Very high	60 Å²	60	49.8 Å²	49.8	62%	0.619	29%	0.289	S	S	*	.			trans	69.7	7.3	-172.9	0	0	0	0	0	114.4	N311	N311-G313 VanDerWaalsContact C-N 3.29Å; N311-G313 PolarHBondContact O-N 2.96Å
314	T	97.9	Very high	97.8	Very high	65 Å²	65	48.8 Å²	48.8	40%	0.399	28%	0.282	S	S	.	.	S	Bend	trans	-79	159.9	174.1	64.7	0	0	0	0	111.2	S312 L316 G317 E318	S312-T314 PolarHBondContact O-N 3.44Å; S312-T314 PolarHBondContact OG-N 3.43Å; S312-T314 PolarHBondContact OG-OG1 3.07Å; T314-L316 VanDerWaalsContact C-N 3.29Å; T314-L316 PolarHBondContact O-N 2.84Å; T314-G317 WeakPolarHBondContact O-CA 3.31Å; T314-G317 PolarHBondContact O-N 2.99Å; T314-G317 PolarHBondContact OG1-N 3.08Å; T314-E318 PolarHBondContact O-N 3.45Å
315	A	97.7	Very high	97.9	Very high	83 Å²	83	53 Å²	53	69%	0.686	29%	0.291	S	S	*	.	H	α-helix	trans	-56.9	-42.7	176	0	0	0	0	0	112.4	E318 K319	A315-E318 PolarHBondContact O-N 2.81Å; A315-K319 PolarHBondContact O-N 2.66Å
316	L	98.1	Very high	98	Very high	20 Å²	20	51.5 Å²	51.5	11%	0.105	29%	0.285	C	S	.	.	H	α-helix	trans	-64.3	-41.2	173.4	-178.2	63.4	0	0	0	111.5	L309 T314 E318 K319 V320 D464 F468	L309-L316 HydrophobicContact CD1-CD2 4.43Å; L309-L316 HydrophobicContact CD2-CD2 4.16Å; L309-L316 HydrophobicContact CD2-CG 4.42Å; T314-L316 VanDerWaalsContact C-N 3.29Å; T314-L316 PolarHBondContact O-N 2.84Å; L316-E318 VanDerWaalsContact C-N 3.35Å; L316-E318 PolarHBondContact O-N 3.49Å; L316-K319 PolarHBondContact O-N 3.28Å; L316-V320 HydrophobicContact CG-CG2 4.43Å; L316-V320 WeakPolarHBondContact O-CG2 3.33Å; L316-V320 PolarHBondContact O-N 3.45Å; L316-D464 HydrophobicContact CD1-CB 4.29Å; L316-F468 HydrophobicContact CD1-CB 4.35Å
317	G	98.3	Very high	98	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-57	-43.9	176.6	0	0	0	0	0	113.2	L309 A310 T314 K319 V320 K321	L309-G317 WeakPolarHBondContact O-CA 3.38Å; A310-G317 WeakPolarHBondContact CA-O 3.34Å; T314-G317 WeakPolarHBondContact O-CA 3.31Å; T314-G317 PolarHBondContact O-N 2.99Å; T314-G317 PolarHBondContact OG1-N 3.08Å; G317-K319 PolarHBondContact O-N 2.82Å; G317-V320 PolarHBondContact O-N 3.41Å; G317-K321 WeakPolarHBondContact O-CB 3.31Å; G317-K321 PolarHBondContact O-N 2.84Å
318	E	98.3	Very high	98	Very high	87 Å²	87	53.7 Å²	53.7	41%	0.407	30%	0.296	S	S	.	.	H	α-helix	trans	-64.3	-39.5	175.8	-67.1	-57.2	148.5	0	0	112.1	T314 A315 L316 K321 C322	T314-E318 PolarHBondContact O-N 3.45Å; A315-E318 PolarHBondContact O-N 2.81Å; L316-E318 VanDerWaalsContact C-N 3.35Å; L316-E318 PolarHBondContact O-N 3.49Å; E318-K321 WeakPolarHBondContact O-CB 3.48Å; E318-K321 PolarHBondContact O-N 3.02Å; E318-K321 IonicContact OE2-NZ 3.99Å; E318-C322 PolarHBondContact O-N 3.43Å; E318-C322 PolarHBondContact O-SG 3.1Å; E318-C322 VanDerWaalsContact O-SG 3.4Å
319	K	98.2	Very high	98	Very high	62 Å²	62	49.5 Å²	49.5	27%	0.27	29%	0.286	S	S	.	.	H	α-helix	trans	-63.5	-41.6	173.8	-68.6	-165	179.9	-152.3	0	112.6	A315 L316 G317 C322 A323 D459 W460 D464	A315-K319 PolarHBondContact O-N 2.66Å; L316-K319 PolarHBondContact O-N 3.28Å; G317-K319 PolarHBondContact O-N 2.82Å; K319-C322 PolarHBondContact O-N 3.46Å; K319-A323 PolarHBondContact O-N 3.3Å; K319-D459 PolarHBondContact NZ-O 2.86Å; K319-W460 PolarHBondContact O-NE1 2.95Å; K319-D464 HydrophobicContact CD-CB 4.33Å; K319-D464 WeakPolarHBondContact CD-OD2 3.26Å; K319-D464 WeakPolarHBondContact CE-OD2 3.45Å; K319-D464 IonicContact NZ-OD1 3.31Å; K319-D464 IonicContact NZ-OD2 2.75Å; K319-D464 PolarHBondContact NZ-OD2 2.97Å
320	V	98.7	Very high	98	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-61.2	-45.4	173.7	172.4	0	0	0	0	110.5	V306 L309 A310 L316 G317 C322 A323 L324 L355 W460 F468	V306-V320 HydrophobicContact CG1-CG1 4.11Å; L309-V320 HydrophobicContact CD2-CG2 3.96Å; L309-V320 HydrophobicContact CG-CG2 4.25Å; A310-V320 HydrophobicContact CB-CG1 3.9Å; L316-V320 HydrophobicContact CG-CG2 4.43Å; L316-V320 WeakPolarHBondContact O-CG2 3.33Å; L316-V320 PolarHBondContact O-N 3.45Å; G317-V320 PolarHBondContact O-N 3.41Å; V320-C322 PolarHBondContact O-N 3.41Å; V320-A323 PolarHBondContact O-N 3.43Å; V320-L324 HydrophobicContact CG1-CD1 3.96Å; V320-L324 HydrophobicContact CG1-CG 4.31Å; V320-L324 VanDerWaalsContact O-CG 3.3Å; V320-L324 WeakPolarHBondContact O-CG 3.37Å; V320-L324 PolarHBondContact O-N 3.4Å; V320-L355 HydrophobicContact CG1-CD2 3.93Å; V320-W460 HydrophobicContact CG2-CH2 3.84Å; V320-W460 HydrophobicContact CG2-CZ2 3.88Å; V320-F468 HydrophobicContact CG1-CE2 4.49Å; V320-F468 HydrophobicContact CG2-CD2 3.67Å; V320-F468 HydrophobicContact CG2-CE2 3.9Å
321	K	98.4	Very high	97.9	Very high	98 Å²	98	48.7 Å²	48.7	43%	0.426	28%	0.282	S	S	.	.	H	α-helix	trans	-60.8	-43.4	177.8	-173.5	179	177.5	-176.6	0	112.4	A310 G317 E318 L324 K325	A310-K321 HydrophobicContact CB-CB 4.22Å; G317-K321 WeakPolarHBondContact O-CB 3.31Å; G317-K321 PolarHBondContact O-N 2.84Å; E318-K321 WeakPolarHBondContact O-CB 3.48Å; E318-K321 PolarHBondContact O-N 3.02Å; E318-K321 IonicContact OE2-NZ 3.99Å; K321-L324 PolarHBondContact O-N 2.81Å; K321-K325 WeakPolarHBondContact O-CB 3.27Å; K321-K325 PolarHBondContact O-N 2.91Å
322	C	98.1	Very high	97.9	Very high	79 Å²	79	48.3 Å²	48.3	53%	0.534	28%	0.28	S	S	.	.	H	α-helix	trans	-62.9	-41.2	174.3	-73	0	0	0	0	112.7	E318 K319 V320 K325 T326	E318-C322 PolarHBondContact O-N 3.43Å; E318-C322 PolarHBondContact O-SG 3.1Å; E318-C322 VanDerWaalsContact O-SG 3.4Å; K319-C322 PolarHBondContact O-N 3.46Å; V320-C322 PolarHBondContact O-N 3.41Å; C322-K325 PolarHBondContact O-N 2.87Å; C322-T326 PolarHBondContact O-N 3.01Å; C322-T326 VanDerWaalsContact O-N 3.15Å; C322-T326 PolarHBondContact O-OG1 2.84Å; C322-T326 VanDerWaalsContact O-OG1 3.06Å
323	A	98.4	Very high	97.9	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-63.9	-48.2	176.3	0	0	0	0	0	111.3	K319 V320 K325 T326 I327 L355 P456 L457 W460	K319-A323 PolarHBondContact O-N 3.3Å; V320-A323 PolarHBondContact O-N 3.43Å; A323-K325 VanDerWaalsContact C-N 3.32Å; A323-K325 PolarHBondContact O-N 3.25Å; A323-T326 WeakPolarHBondContact O-CB 3.16Å; A323-T326 PolarHBondContact O-N 3.2Å; A323-T326 VanDerWaalsContact O-N 3.11Å; A323-I327 WeakPolarHBondContact O-CG1 3.13Å; A323-I327 PolarHBondContact O-N 3.4Å; A323-L355 HydrophobicContact CB-CD1 3.94Å; A323-P456 WeakPolarHBondContact CA-O 3.19Å; A323-P456 HydrophobicContact CB-CB 3.99Å; A323-P456 VanDerWaalsContact CB-O 3.26Å; A323-P456 WeakPolarHBondContact CB-O 3.22Å; A323-L457 HydrophobicContact CB-CD2 4.45Å; A323-W460 HydrophobicContact CB-CZ2 4.16Å
324	L	98.4	Very high	97.9	Very high	5 Å²	5	50.2 Å²	50.2	3%	0.026	27%	0.265	C	S	.	.	H	α-helix	trans	-57.2	-44.6	176	-69.2	171.2	0	0	0	111.6	V306 Y307 A310 V320 K321 T326 I327 E328 L355 T359	V306-L324 HydrophobicContact CG1-CD1 4Å; V306-L324 HydrophobicContact CG1-CD2 3.92Å; V306-L324 HydrophobicContact CG1-CG 4.39Å; Y307-L324 HydrophobicContact CD1-CD1 4.09Å; Y307-L324 HydrophobicContact CE1-CD1 3.96Å; Y307-L324 HydrophobicContact CE2-CD1 4.41Å; Y307-L324 HydrophobicContact CE2-CD2 4.24Å; Y307-L324 HydrophobicContact CG-CD1 4.38Å; A310-L324 HydrophobicContact CB-CD1 3.72Å; V320-L324 HydrophobicContact CG1-CD1 3.96Å; V320-L324 HydrophobicContact CG1-CG 4.31Å; V320-L324 VanDerWaalsContact O-CG 3.3Å; V320-L324 WeakPolarHBondContact O-CG 3.37Å; V320-L324 PolarHBondContact O-N 3.4Å; K321-L324 PolarHBondContact O-N 2.81Å; L324-T326 VanDerWaalsContact C-N 3.28Å; L324-T326 PolarHBondContact O-N 3.33Å; L324-I327 WeakPolarHBondContact O-CB 3.07Å; L324-I327 PolarHBondContact O-N 3.21Å; L324-I327 VanDerWaalsContact O-N 3.13Å; L324-E328 WeakPolarHBondContact O-CB 3.36Å; L324-E328 VanDerWaalsContact O-CG 3.31Å; L324-E328 WeakPolarHBondContact O-CG 3.36Å; L324-E328 PolarHBondContact O-N 3.32Å; L324-L355 HydrophobicContact CD2-CD2 4.1Å; L324-L355 HydrophobicContact CG-CD2 4.39Å; L324-T359 VanDerWaalsContact CD2-OG1 3.24Å; L324-T359 WeakPolarHBondContact CD2-OG1 3.45Å
325	K	98.2	Very high	97.7	Very high	145 Å²	145	49.4 Å²	49.4	63%	0.63	26%	0.262	S	S	*	.	H	α-helix	trans	-58.1	-40	176.6	-175.8	178.7	180	-178.6	0	112.4	K321 C322 A323 T329	K321-K325 WeakPolarHBondContact O-CB 3.27Å; K321-K325 PolarHBondContact O-N 2.91Å; C322-K325 PolarHBondContact O-N 2.87Å; A323-K325 VanDerWaalsContact C-N 3.32Å; A323-K325 PolarHBondContact O-N 3.25Å; K325-T329 WeakPolarHBondContact O-CB 3.36Å; K325-T329 PolarHBondContact O-N 3.01Å; K325-T329 PolarHBondContact O-OG1 2.89Å
326	T	98.4	Very high	97.5	Very high	22 Å²	22	46.4 Å²	46.4	14%	0.135	24%	0.237	C	C	.	.	H	α-helix	trans	-65.4	-43.2	177.1	-56.9	0	0	0	0	111.1	C322 A323 L324 T329 A330 P440 M441 V454 P456	C322-T326 PolarHBondContact O-N 3.01Å; C322-T326 VanDerWaalsContact O-N 3.15Å; C322-T326 PolarHBondContact O-OG1 2.84Å; C322-T326 VanDerWaalsContact O-OG1 3.06Å; A323-T326 WeakPolarHBondContact O-CB 3.16Å; A323-T326 PolarHBondContact O-N 3.2Å; A323-T326 VanDerWaalsContact O-N 3.11Å; L324-T326 VanDerWaalsContact C-N 3.28Å; L324-T326 PolarHBondContact O-N 3.33Å; T326-T329 PolarHBondContact O-N 2.88Å; T326-A330 PolarHBondContact O-N 3.34Å; T326-P440 HydrophobicContact CG2-CB 3.79Å; T326-M441 HydrophobicContact CG2-CG 4.45Å; T326-V454 HydrophobicContact CG2-CG1 4Å; T326-P456 HydrophobicContact CG2-CB 4.45Å; T326-P456 HydrophobicContact CG2-CG 4.27Å
327	I	98.3	Very high	97.2	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-63.9	-45.9	176.7	-63.8	170.3	0	0	0	111	A323 L324 T329 A330 L331 L352 L355 Y356 T359 L425 P456	A323-I327 WeakPolarHBondContact O-CG1 3.13Å; A323-I327 PolarHBondContact O-N 3.4Å; L324-I327 WeakPolarHBondContact O-CB 3.07Å; L324-I327 PolarHBondContact O-N 3.21Å; L324-I327 VanDerWaalsContact O-N 3.13Å; I327-T329 VanDerWaalsContact C-N 3.34Å; I327-T329 PolarHBondContact O-N 3.36Å; I327-A330 WeakPolarHBondContact O-CB 3.48Å; I327-A330 PolarHBondContact O-N 3.08Å; I327-L331 HydrophobicContact CG2-CD1 4.13Å; I327-L331 PolarHBondContact O-N 3.09Å; I327-L352 HydrophobicContact CD1-CD1 4.42Å; I327-L355 HydrophobicContact CD1-CB 3.73Å; I327-Y356 HydrophobicContact CG2-CD2 3.7Å; I327-Y356 HydrophobicContact CG2-CE2 4.37Å; I327-T359 HydrophobicContact CG2-CG2 3.91Å; I327-L425 HydrophobicContact CD1-CD2 4.42Å; I327-L425 HydrophobicContact CG1-CD2 3.92Å; I327-L425 HydrophobicContact CG2-CD2 4.29Å; I327-P456 HydrophobicContact CD1-CB 4.14Å; I327-P456 HydrophobicContact CD1-CG 4.06Å; I327-P456 HydrophobicContact CG1-CB 3.85Å; I327-P456 HydrophobicContact CG1-CG 3.45Å; I327-P456 VanDerWaalsContact CG1-CG 3.45Å
328	E	97.6	Very high	97.1	Very high	65 Å²	65	53.7 Å²	53.7	30%	0.304	27%	0.27	S	S	.	.	H	α-helix	trans	-61.4	-42.9	178.2	-72.8	169.5	177.3	0	0	111.1	Y307 L324 A330 L331 D332 T359	Y307-E328 PolarHBondContact OH-OE1 3.17Å; L324-E328 WeakPolarHBondContact O-CB 3.36Å; L324-E328 VanDerWaalsContact O-CG 3.31Å; L324-E328 WeakPolarHBondContact O-CG 3.36Å; L324-E328 PolarHBondContact O-N 3.32Å; E328-A330 VanDerWaalsContact C-N 3.31Å; E328-A330 PolarHBondContact O-N 3.4Å; E328-L331 CarbonylContact O-C 3.59Å; E328-L331 PolarHBondContact O-N 3.04Å; E328-L331 VanDerWaalsContact O-N 3.12Å; E328-D332 VanDerWaalsContact O-CG 3.27Å; E328-D332 PolarHBondContact O-N 3.14Å; E328-T359 HydrophobicContact CG-CG2 3.63Å
329	T	98.1	Very high	97.1	Very high	50 Å²	50	49.6 Å²	49.6	31%	0.307	25%	0.251	S	S	.	.	H	α-helix	trans	-60.3	-39.7	174.7	-56.6	0	0	0	0	111.8	K325 T326 I327 D332 Q333 M441	K325-T329 WeakPolarHBondContact O-CB 3.36Å; K325-T329 PolarHBondContact O-N 3.01Å; K325-T329 PolarHBondContact O-OG1 2.89Å; T326-T329 PolarHBondContact O-N 2.88Å; I327-T329 VanDerWaalsContact C-N 3.34Å; I327-T329 PolarHBondContact O-N 3.36Å; T329-D332 PolarHBondContact O-N 3.36Å; T329-Q333 PolarHBondContact O-N 3.38Å; T329-M441 HydrophobicContact CG2-SD 3.92Å
330	A	97.8	Very high	97	Very high	2 Å²	2	46.6 Å²	46.6	2%	0.017	24%	0.238	C	C	.	.	H	α-helix	trans	-65.9	-41.4	174.9	0	0	0	0	0	111.8	T326 I327 E328 D332 Q333 Y334 M441 V454	T326-A330 PolarHBondContact O-N 3.34Å; I327-A330 WeakPolarHBondContact O-CB 3.48Å; I327-A330 PolarHBondContact O-N 3.08Å; E328-A330 VanDerWaalsContact C-N 3.31Å; E328-A330 PolarHBondContact O-N 3.4Å; A330-D332 VanDerWaalsContact C-N 3.25Å; A330-D332 PolarHBondContact O-N 3.43Å; A330-Q333 PolarHBondContact O-N 2.93Å; A330-Q333 VanDerWaalsContact O-N 3.13Å; A330-Y334 WeakPolarHBondContact O-CD2 3.31Å; A330-Y334 PolarHBondContact O-N 2.73Å; A330-M441 HydrophobicContact CB-CE 4.05Å; A330-M441 HydrophobicContact CB-SD 4.41Å; A330-V454 HydrophobicContact CB-CG1 3.88Å; A330-V454 HydrophobicContact CB-CG2 3.88Å
331	L	96.6	Very high	97	Very high	6 Å²	6	46.6 Å²	46.6	3%	0.031	24%	0.238	C	C	.	.	H	α-helix	trans	-70.6	-18	176.8	-72	171.9	0	0	0	114	I327 E328 Y334 V339 Y356 T359 L360	I327-L331 HydrophobicContact CG2-CD1 4.13Å; I327-L331 PolarHBondContact O-N 3.09Å; E328-L331 CarbonylContact O-C 3.59Å; E328-L331 PolarHBondContact O-N 3.04Å; E328-L331 VanDerWaalsContact O-N 3.12Å; L331-Y334 CarbonylContact C-O 3.52Å; L331-Y334 WeakPolarHBondContact CA-O 3.39Å; L331-V339 HydrophobicContact CD2-CG2 4.42Å; L331-Y356 HydrophobicContact CD1-CE2 4.28Å; L331-Y356 HydrophobicContact CD2-CE2 4.11Å; L331-Y356 HydrophobicContact CG-CE2 4.41Å; L331-T359 HydrophobicContact CD1-CG2 3.73Å; L331-L360 HydrophobicContact CD1-CD2 3.99Å; L331-L360 HydrophobicContact CD2-CD2 3.91Å
332	D	96.9	Very high	96.9	Very high	109 Å²	109	43 Å²	43	58%	0.583	23%	0.229	S	C	*	.	H	α-helix	trans	-77.4	-27.6	169.9	-68.1	-22.9	0	0	0	112.2	E328 T329 A330 R363	E328-D332 VanDerWaalsContact O-CG 3.27Å; E328-D332 PolarHBondContact O-N 3.14Å; T329-D332 PolarHBondContact O-N 3.36Å; A330-D332 VanDerWaalsContact C-N 3.25Å; A330-D332 PolarHBondContact O-N 3.43Å; D332-R363 IonicContact OD1-CZ 3.14Å; D332-R363 IonicContact OD1-NH1 3.5Å; D332-R363 PolarHBondContact OD1-NH1 3.49Å; D332-R363 IonicContact OD1-NH2 2.66Å; D332-R363 PolarHBondContact OD1-NH2 3.22Å
333	Q	97.6	Very high	96.8	Very high	109 Å²	109	39.3 Å²	39.3	51%	0.509	20%	0.204	S	C	.	.	H	α-helix	trans	-94.9	-29.2	-179.3	-66.6	178.2	29.2	0	0	113.3	T329 A330	T329-Q333 PolarHBondContact O-N 3.38Å; A330-Q333 PolarHBondContact O-N 2.93Å; A330-Q333 VanDerWaalsContact O-N 3.13Å
334	Y	96.6	Very high	96.4	Very high	47 Å²	47	43.1 Å²	43.1	18%	0.184	22%	0.224	C	C	.	.	S	Bend	trans	-132.2	133.4	-175.8	-57.4	-81.2	0	0	0	109.3	A330 L331 K422 A423 M441 M452	A330-Y334 WeakPolarHBondContact O-CD2 3.31Å; A330-Y334 PolarHBondContact O-N 2.73Å; L331-Y334 CarbonylContact C-O 3.52Å; L331-Y334 WeakPolarHBondContact CA-O 3.39Å; Y334-K422 HydrophobicContact CD1-CB 3.7Å; Y334-K422 HydrophobicContact CE1-CB 3.76Å; Y334-A423 HydrophobicContact CD1-CB 4.39Å; Y334-A423 HydrophobicContact CD2-CB 3.85Å; Y334-A423 HydrophobicContact CE2-CB 4.18Å; Y334-A423 HydrophobicContact CG-CB 3.97Å; Y334-M441 HydrophobicContact CE2-CE 4.23Å; Y334-M452 HydrophobicContact CE2-CB 3.9Å; Y334-M452 HydrophobicContact CE2-CG 3.91Å; Y334-M452 WeakPolarHBondContact OH-CB 3.43Å
335	S	93.6	Very high	96.2	Very high	48 Å²	48	42.9 Å²	42.9	34%	0.336	22%	0.223	S	C	.	.			trans	-65.5	160	176.2	79.1	0	0	0	0	110.9	E337 Q338 V339	S335-E337 PolarHBondContact O-N 2.94Å; S335-E337 PolarHBondContact OG-N 2.68Å; S335-Q338 PolarHBondContact O-N 3Å; S335-Q338 WeakPolarHBondContact OG-CG 3.32Å; S335-V339 VanDerWaalsContact O-CG2 3.28Å; S335-V339 WeakPolarHBondContact O-CG2 3.31Å; S335-V339 PolarHBondContact O-N 3.44Å
336	A	92.3	Very high	96	Very high	20 Å²	20	36.3 Å²	36.3	17%	0.165	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-22	176.2	0	0	0	0	0	113.4	L360 Y364	A336-L360 HydrophobicContact CB-CD2 3.81Å; A336-Y364 HydrophobicContact CB-CE2 4.41Å
337	E	93.5	Very high	96	Very high	109 Å²	109	35.3 Å²	35.3	51%	0.509	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-28.9	173.9	-67	-177.3	164.8	0	0	113.4	S335 V339 K372 L421	S335-E337 PolarHBondContact O-N 2.94Å; S335-E337 PolarHBondContact OG-N 2.68Å; E337-V339 VanDerWaalsContact C-N 3.33Å; E337-K372 WeakPolarHBondContact O-CE 3.4Å; E337-L421 WeakPolarHBondContact O-CD2 3.25Å
338	Q	96.1	Very high	95.9	Very high	63 Å²	63	36.3 Å²	36.3	29%	0.294	20%	0.195	S	C	.	.	S	Bend	trans	-89.3	-0.8	-177.3	-61.3	176.4	-54.8	0	0	113.2	S335 E420 K422 A423	S335-Q338 PolarHBondContact O-N 3Å; S335-Q338 WeakPolarHBondContact OG-CG 3.32Å; Q338-E420 WeakPolarHBondContact CA-O 3.44Å; Q338-E420 WeakPolarHBondContact CG-O 3.39Å; Q338-K422 HydrophobicContact CB-CB 4.37Å; Q338-K422 HydrophobicContact CB-CG 4.37Å; Q338-K422 PolarHBondContact O-N 3.34Å; Q338-A423 PolarHBondContact O-N 2.79Å
339	V	96.9	Very high	95.8	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.006	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	133.1	-170.8	179.5	0	0	0	0	109.6	L331 S335 E337 Y356 A423 L425	L331-V339 HydrophobicContact CD2-CG2 4.42Å; S335-V339 VanDerWaalsContact O-CG2 3.28Å; S335-V339 WeakPolarHBondContact O-CG2 3.31Å; S335-V339 PolarHBondContact O-N 3.44Å; E337-V339 VanDerWaalsContact C-N 3.33Å; V339-Y356 HydrophobicContact CG1-CE2 4.02Å; V339-Y356 VanDerWaalsContact CG1-OH 3.28Å; V339-Y356 WeakPolarHBondContact CG1-OH 3.47Å; V339-A423 WeakPolarHBondContact CA-O 3.5Å; V339-A423 HydrophobicContact CG2-CB 4.21Å; V339-L425 HydrophobicContact CG1-CD1 3.06Å
340	C	97	Very high	95.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	159.7	169.1	71.6	0	0	0	0	111.6	K372 L421 A423 V424 L425	C340-K372 CarbonylContact C-O 3.58Å; C340-K372 VanDerWaalsContact CA-O 3.3Å; C340-K372 WeakPolarHBondContact CA-O 3.43Å; C340-K372 HydrophobicContact CB-CB 3.74Å; C340-K372 WeakPolarHBondContact CB-O 3.09Å; C340-L421 HydrophobicContact CB-CD1 4.24Å; C340-L421 HydrophobicContact CB-CD2 3.98Å; C340-A423 PolarHBondContact N-O 2.87Å; C340-V424 CarbonylContact O-C 3.58Å; C340-V424 WeakPolarHBondContact O-CA 3.36Å; C340-L425 WeakPolarHBondContact O-CD1 3.47Å; C340-L425 PolarHBondContact O-N 3.39Å
341	V	97.6	Very high	95.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	129.5	174.3	61.2	0	0	0	0	110.6	Y343 L352 L353 Y356 V371 K372 A373 L374 L425	V341-Y343 PolarHBondContact O-N 2.72Å; V341-L352 HydrophobicContact CG2-CD2 3.89Å; V341-L352 HydrophobicContact CG2-CG 3.99Å; V341-L353 HydrophobicContact CG1-CD1 3.91Å; V341-Y356 HydrophobicContact CB-CD1 4.35Å; V341-V371 HydrophobicContact CG1-CG1 4.37Å; V341-K372 PolarHBondContact N-O 3.39Å; V341-A373 HydrophobicContact CG1-CB 4.03Å; V341-A373 CarbonylContact O-C 3.6Å; V341-A373 VanDerWaalsContact O-CA 3.3Å; V341-A373 WeakPolarHBondContact O-CA 3.34Å; V341-L374 PolarHBondContact O-N 3.49Å; V341-L425 HydrophobicContact CB-CB 4.42Å; V341-L425 HydrophobicContact CG2-CB 4.31Å
342	G	96.4	Very high	96	Very high	22 Å²	22	30.9 Å²	30.9	23%	0.227	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	112.7	167.6	0	0	0	0	0	109.8	C349 L425	G342-C349 WeakPolarHBondContact O-CB 3.22Å; G342-L425 PolarHBondContact N-O 3.36Å
343	Y	95.8	Very high	96	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.008	14%	0.139	C	C	.	.			trans	-133.3	113.1	-170.9	-171.8	-116.1	0	0	0	111.7	V341 C349 L353 L374 Y375 F388 L389 A392 L398	V341-Y343 PolarHBondContact O-N 2.72Å; Y343-C349 HydrophobicContact CD2-CB 3.98Å; Y343-C349 VanDerWaalsContact CD2-SG 3.53Å; Y343-L353 HydrophobicContact CD2-CB 4.24Å; Y343-L353 HydrophobicContact CD2-CD2 4.05Å; Y343-L353 HydrophobicContact CE1-CD2 4.2Å; Y343-L353 HydrophobicContact CE2-CB 4.28Å; Y343-L353 HydrophobicContact CE2-CD2 3.72Å; Y343-L353 HydrophobicContact CG-CD2 4.46Å; Y343-L374 PolarHBondContact N-O 2.81Å; Y343-Y375 WeakPolarHBondContact O-CD2 3.5Å; Y343-F388 WeakPolarHBondContact OH-CE1 3.41Å; Y343-L389 HydrophobicContact CD1-CD2 3.59Å; Y343-L389 HydrophobicContact CE1-CD2 3.36Å; Y343-A392 HydrophobicContact CE1-CB 4Å; Y343-A392 WeakPolarHBondContact OH-CB 3.38Å; Y343-L398 HydrophobicContact CD1-CD1 4.21Å; Y343-L398 HydrophobicContact CE1-CD1 4.24Å
344	N	91.9	Very high	96.1	Very high	80 Å²	80	20.6 Å²	20.6	43%	0.428	12%	0.115	S	C	.	.			trans	-117.4	10.2	177.3	68.3	7.2	0	0	0	113	G346 C349 Y375	N344-G346 PolarHBondContact O-N 2.85Å; N344-G346 PolarHBondContact OD1-N 3.42Å; N344-C349 PolarHBondContact N-SG 2.96Å; N344-C349 VanDerWaalsContact N-SG 3.44Å; N344-C349 PolarHBondContact OD1-SG 2.9Å; N344-Y375 HydrophobicContact CB-CD2 4.37Å; N344-Y375 HydrophobicContact CB-CE2 4.34Å
345	G	93.1	Very high	96.1	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.106	C	C	.	.	S	Bend	trans	77.9	-3.1	-177.8	0	0	0	0	0	114.9	C349 M385 F388	G345-C349 PolarHBondContact N-SG 2.77Å; G345-C349 VanDerWaalsContact N-SG 3.45Å; G345-M385 VanDerWaalsContact O-CE 3.3Å; G345-M385 WeakPolarHBondContact O-CE 3.3Å; G345-F388 WeakPolarHBondContact O-CE1 3.3Å
346	G	94.9	Very high	96.4	Very high	6 Å²	6	16.1 Å²	16.1	6%	0.062	9%	0.09	C	C	.	.			trans	-59.1	160.6	171.8	0	0	0	0	0	113.2	N344 D348 C349 T350	N344-G346 PolarHBondContact O-N 2.85Å; N344-G346 PolarHBondContact OD1-N 3.42Å; G346-D348 VanDerWaalsContact C-N 3.29Å; G346-D348 PolarHBondContact O-N 2.82Å; G346-C349 PolarHBondContact N-SG 3.08Å; G346-C349 PolarHBondContact O-SG 2.92Å; G346-T350 VanDerWaalsContact O-CB 3.25Å; G346-T350 WeakPolarHBondContact O-CB 3.49Å; G346-T350 PolarHBondContact O-N 3.29Å; G346-T350 PolarHBondContact O-OG1 2.86Å
347	K	96.6	Very high	96.6	Very high	2 Å²	2	16.6 Å²	16.6	1%	0.009	9%	0.088	C	C	.	.	H	α-helix	trans	-58.3	-40.7	-179.1	65.8	-176.8	-167.8	-52.5	0	112.2	T350 A351 Y462 I465 W466 L469 Y480 E522	K347-T350 PolarHBondContact O-N 3.45Å; K347-A351 PolarHBondContact O-N 2.81Å; K347-Y462 HydrophobicContact CD-CE2 4.39Å; K347-I465 HydrophobicContact CB-CG2 4.11Å; K347-I465 HydrophobicContact CD-CG2 4.21Å; K347-I465 HydrophobicContact CG-CG2 3.93Å; K347-W466 HydrophobicContact CB-CH2 4.07Å; K347-W466 HydrophobicContact CB-CZ2 4.19Å; K347-W466 HydrophobicContact CD-CH2 4.16Å; K347-W466 HydrophobicContact CD-CZ2 3.4Å; K347-W466 VanDerWaalsContact CD-CZ2 3.4Å; K347-W466 HydrophobicContact CG-CZ2 4.38Å; K347-L469 HydrophobicContact CB-CD1 3.93Å; K347-Y480 HydrophobicContact CB-CE1 4.36Å; K347-Y480 HydrophobicContact CB-CE2 4.05Å; K347-Y480 HydrophobicContact CD-CD1 4.49Å; K347-Y480 HydrophobicContact CD-CE1 3.98Å; K347-Y480 HydrophobicContact CG-CE1 4.25Å; K347-Y480 PolarHBondContact N-OH 2.7Å; K347-E522 IonicContact NZ-OE1 3.87Å; K347-E522 PolarHBondContact NZ-OE1 3.45Å
348	D	97.1	Very high	96.7	Very high	22 Å²	22	11.4 Å²	11.4	12%	0.118	6%	0.064	C	C	.	.	H	α-helix	trans	-69.5	-50.5	-175.3	-50.3	-100.8	0	0	0	111.5	G346 T350 A351 L352 G427 R429 L457	G346-D348 VanDerWaalsContact C-N 3.29Å; G346-D348 PolarHBondContact O-N 2.82Å; D348-T350 PolarHBondContact O-N 3.21Å; D348-A351 PolarHBondContact O-N 3.21Å; D348-L352 PolarHBondContact O-N 3.04Å; D348-G427 WeakPolarHBondContact CB-O 3.38Å; D348-R429 IonicContact OD1-CZ 3.93Å; D348-R429 VanDerWaalsContact OD1-CZ 3.25Å; D348-R429 IonicContact OD1-NE 3.07Å; D348-R429 PolarHBondContact OD1-NE 3.38Å; D348-R429 IonicContact OD1-NH2 2.9Å; D348-R429 PolarHBondContact OD1-NH2 3.36Å; D348-R429 VanDerWaalsContact OD1-NH2 3.15Å; D348-L457 VanDerWaalsContact O-CD1 3.27Å; D348-L457 WeakPolarHBondContact O-CD1 3.3Å
349	C	96.5	Very high	96.7	Very high	8 Å²	8	8.4 Å²	8.4	5%	0.054	5%	0.05	C	C	.	.	H	α-helix	trans	-68.7	-24.4	176.4	67.4	0	0	0	0	112.5	G342 Y343 N344 G345 G346 L353	G342-C349 WeakPolarHBondContact O-CB 3.22Å; Y343-C349 HydrophobicContact CD2-CB 3.98Å; Y343-C349 VanDerWaalsContact CD2-SG 3.53Å; N344-C349 PolarHBondContact N-SG 2.96Å; N344-C349 VanDerWaalsContact N-SG 3.44Å; N344-C349 PolarHBondContact OD1-SG 2.9Å; G345-C349 PolarHBondContact N-SG 2.77Å; G345-C349 VanDerWaalsContact N-SG 3.45Å; G346-C349 PolarHBondContact N-SG 3.08Å; G346-C349 PolarHBondContact O-SG 2.92Å; C349-L353 VanDerWaalsContact O-CB 3.23Å; C349-L353 WeakPolarHBondContact O-CB 3.22Å; C349-L353 PolarHBondContact O-N 3.5Å
350	T	97.8	Very high	96.6	Very high	1 Å²	1	9.3 Å²	9.3	1%	0.006	6%	0.055	C	C	.	.	H	α-helix	trans	-69.6	-43.9	172.3	-61.3	0	0	0	0	111.4	G346 K347 D348 L352 L353 H354 F388 L469 V474 P475	G346-T350 VanDerWaalsContact O-CB 3.25Å; G346-T350 WeakPolarHBondContact O-CB 3.49Å; G346-T350 PolarHBondContact O-N 3.29Å; G346-T350 PolarHBondContact O-OG1 2.86Å; K347-T350 PolarHBondContact O-N 3.45Å; D348-T350 PolarHBondContact O-N 3.21Å; T350-L352 VanDerWaalsContact C-N 3.33Å; T350-L352 PolarHBondContact O-N 3.44Å; T350-L353 PolarHBondContact O-N 2.71Å; T350-H354 PolarHBondContact O-N 3.26Å; T350-F388 HydrophobicContact CG2-CZ 4.06Å; T350-L469 HydrophobicContact CG2-CD2 4.15Å; T350-V474 HydrophobicContact CG2-CG1 3.91Å; T350-P475 WeakPolarHBondContact CG2-O 3.41Å
351	A	98.4	Very high	96.5	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-60.4	-45.4	172.5	0	0	0	0	0	111.1	K347 D348 H354 L355 L457 I465 F468 L469	K347-A351 PolarHBondContact O-N 2.81Å; D348-A351 PolarHBondContact O-N 3.21Å; A351-H354 PolarHBondContact O-N 3.17Å; A351-L355 WeakPolarHBondContact O-CG 3.3Å; A351-L355 PolarHBondContact O-N 2.79Å; A351-L457 HydrophobicContact CB-CD1 4.36Å; A351-I465 HydrophobicContact CB-CD1 4.3Å; A351-I465 HydrophobicContact CB-CG2 4.48Å; A351-F468 HydrophobicContact CB-CD1 3.75Å; A351-F468 HydrophobicContact CB-CE1 3.97Å; A351-L469 HydrophobicContact CB-CD2 4.04Å; A351-L469 HydrophobicContact CB-CG 4.43Å
352	L	98.6	Very high	96.2	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-60.7	-46.3	176.5	177.2	60.5	0	0	0	112.8	I327 V341 D348 T350 H354 L355 Y356 L425 M426 G427 P456 L457	I327-L352 HydrophobicContact CD1-CD1 4.42Å; V341-L352 HydrophobicContact CG2-CD2 3.89Å; V341-L352 HydrophobicContact CG2-CG 3.99Å; D348-L352 PolarHBondContact O-N 3.04Å; T350-L352 VanDerWaalsContact C-N 3.33Å; T350-L352 PolarHBondContact O-N 3.44Å; L352-H354 VanDerWaalsContact C-N 3.27Å; L352-H354 PolarHBondContact O-N 2.57Å; L352-L355 PolarHBondContact O-N 2.91Å; L352-Y356 WeakPolarHBondContact O-CB 3.29Å; L352-Y356 PolarHBondContact O-N 2.92Å; L352-L425 HydrophobicContact CD1-CB 4.33Å; L352-L425 HydrophobicContact CD1-CD2 4.07Å; L352-L425 HydrophobicContact CD2-CB 3.96Å; L352-L425 HydrophobicContact CG-CB 4.39Å; L352-M426 WeakPolarHBondContact CD2-O 3.23Å; L352-G427 VanDerWaalsContact CD2-N 3.28Å; L352-P456 HydrophobicContact CD1-CB 4.09Å; L352-P456 HydrophobicContact CD1-CG 3.64Å; L352-L457 HydrophobicContact CB-CD1 3.86Å; L352-L457 HydrophobicContact CB-CG 4.43Å
353	L	98.3	Very high	96	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-58.4	-43.5	177.5	172	63.3	0	0	0	110.5	V341 Y343 C349 T350 Y356 Y357 V371 Y396 L398	V341-L353 HydrophobicContact CG1-CD1 3.91Å; Y343-L353 HydrophobicContact CD2-CB 4.24Å; Y343-L353 HydrophobicContact CD2-CD2 4.05Å; Y343-L353 HydrophobicContact CE1-CD2 4.2Å; Y343-L353 HydrophobicContact CE2-CB 4.28Å; Y343-L353 HydrophobicContact CE2-CD2 3.72Å; Y343-L353 HydrophobicContact CG-CD2 4.46Å; C349-L353 VanDerWaalsContact O-CB 3.23Å; C349-L353 WeakPolarHBondContact O-CB 3.22Å; C349-L353 PolarHBondContact O-N 3.5Å; T350-L353 PolarHBondContact O-N 2.71Å; L353-Y356 PolarHBondContact O-N 3.48Å; L353-Y357 WeakPolarHBondContact O-CB 3.4Å; L353-Y357 PolarHBondContact O-N 3.34Å; L353-V371 HydrophobicContact CD1-CG1 3.95Å; L353-Y396 HydrophobicContact CD2-CD1 4.41Å; L353-Y396 HydrophobicContact CD2-CD2 3.9Å; L353-Y396 HydrophobicContact CD2-CE2 4.07Å; L353-Y396 HydrophobicContact CD2-CG 4.07Å; L353-Y396 HydrophobicContact CG-CD1 4.24Å; L353-Y396 HydrophobicContact CG-CE1 4.3Å; L353-Y396 HydrophobicContact CG-CG 4.38Å; L353-L398 HydrophobicContact CD1-CD2 3.8Å; L353-L398 HydrophobicContact CD2-CD1 3.93Å; L353-L398 HydrophobicContact CD2-CD2 4.4Å
354	H	98.3	Very high	95.8	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-63.9	-42.4	179.5	-163.5	74.6	0	0	0	112	A302 T350 A351 L352 S358 Y396 F468 V474	A302-H354 WeakPolarHBondContact CB-CE1 3.49Å; A302-H354 WeakPolarHBondContact CB-NE2 3.47Å; T350-H354 PolarHBondContact O-N 3.26Å; A351-H354 PolarHBondContact O-N 3.17Å; L352-H354 VanDerWaalsContact C-N 3.27Å; L352-H354 PolarHBondContact O-N 2.57Å; H354-S358 WeakPolarHBondContact O-CB 3.38Å; H354-S358 PolarHBondContact O-N 2.97Å; H354-S358 VanDerWaalsContact O-N 3.07Å; H354-S358 PolarHBondContact O-OG 3.34Å; H354-Y396 AromaticContact ND1-CE1 3.83Å; H354-Y396 AromaticContact ND1-CZ 3.75Å; H354-Y396 PolarHBondContact ND1-OH 3.26Å; H354-F468 HydrophobicContact CB-CE1 4.25Å; H354-F468 AromaticContact CD2-CZ 3.88Å; H354-V474 HydrophobicContact CB-CG1 4.3Å; H354-V474 HydrophobicContact CB-CG2 4.48Å
355	L	98.4	Very high	95.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-62.3	-49.6	173.8	-69.5	169.1	0	0	0	111.5	V306 V320 A323 L324 I327 A351 L352 S358 T359 L457 W460 F468	V306-L355 HydrophobicContact CG1-CD2 3.74Å; V320-L355 HydrophobicContact CG1-CD2 3.93Å; A323-L355 HydrophobicContact CB-CD1 3.94Å; L324-L355 HydrophobicContact CD2-CD2 4.1Å; L324-L355 HydrophobicContact CG-CD2 4.39Å; I327-L355 HydrophobicContact CD1-CB 3.73Å; A351-L355 WeakPolarHBondContact O-CG 3.3Å; A351-L355 PolarHBondContact O-N 2.79Å; L352-L355 PolarHBondContact O-N 2.91Å; L355-S358 WeakPolarHBondContact O-CB 3.08Å; L355-S358 PolarHBondContact O-N 2.91Å; L355-T359 PolarHBondContact O-N 3.47Å; L355-T359 PolarHBondContact O-OG1 2.71Å; L355-L457 HydrophobicContact CD1-CD2 3.66Å; L355-W460 HydrophobicContact CD1-CH2 4.17Å; L355-W460 HydrophobicContact CD1-CZ2 4.13Å; L355-F468 HydrophobicContact CD2-CE2 3.66Å; L355-F468 HydrophobicContact CD2-CZ 3.57Å; L355-F468 HydrophobicContact CG-CE1 4.34Å; L355-F468 HydrophobicContact CG-CE2 4.23Å; L355-F468 HydrophobicContact CG-CZ 3.7Å
356	Y	97.9	Very high	95.2	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.008	17%	0.165	C	C	.	.	H	α-helix	trans	-62.5	-46.4	-178.2	179.8	-127.1	0	0	0	112.3	I327 L331 V339 V341 L352 L353 S358 T359 L360 V371 L425	I327-Y356 HydrophobicContact CG2-CD2 3.7Å; I327-Y356 HydrophobicContact CG2-CE2 4.37Å; L331-Y356 HydrophobicContact CD1-CE2 4.28Å; L331-Y356 HydrophobicContact CD2-CE2 4.11Å; L331-Y356 HydrophobicContact CG-CE2 4.41Å; V339-Y356 HydrophobicContact CG1-CE2 4.02Å; V339-Y356 VanDerWaalsContact CG1-OH 3.28Å; V339-Y356 WeakPolarHBondContact CG1-OH 3.47Å; V341-Y356 HydrophobicContact CB-CD1 4.35Å; L352-Y356 WeakPolarHBondContact O-CB 3.29Å; L352-Y356 PolarHBondContact O-N 2.92Å; L353-Y356 PolarHBondContact O-N 3.48Å; Y356-S358 VanDerWaalsContact C-N 3.27Å; Y356-S358 PolarHBondContact O-N 3.25Å; Y356-T359 PolarHBondContact O-N 2.98Å; Y356-L360 HydrophobicContact CD1-CD1 4.07Å; Y356-L360 HydrophobicContact CD2-CD1 4.39Å; Y356-L360 HydrophobicContact CD2-CG 4.2Å; Y356-L360 HydrophobicContact CE1-CD1 3.5Å; Y356-L360 HydrophobicContact CE1-CG 4.29Å; Y356-L360 HydrophobicContact CE2-CD1 3.87Å; Y356-L360 HydrophobicContact CE2-CD2 4.11Å; Y356-L360 HydrophobicContact CE2-CG 3.75Å; Y356-L360 HydrophobicContact CG-CD1 4.49Å; Y356-L360 PolarHBondContact O-N 3.3Å; Y356-V371 HydrophobicContact CD1-CG1 3.76Å; Y356-V371 HydrophobicContact CE1-CG1 3.74Å; Y356-L425 HydrophobicContact CD2-CD1 4.32Å; Y356-L425 HydrophobicContact CD2-CD2 3.73Å; Y356-L425 HydrophobicContact CE2-CD1 4.16Å; Y356-L425 HydrophobicContact CE2-CD2 4.33Å; Y356-L425 HydrophobicContact CG-CD2 3.96Å
357	Y	97	Very high	94.5	Very high	29 Å²	29	36 Å²	36	11%	0.114	18%	0.175	C	C	.	.	H	α-helix	trans	-55.9	-44.6	173.9	176.5	-92	0	0	0	111.3	V299 A302 L353 L360 K361 V371 Y396	V299-Y357 HydrophobicContact CG1-CD1 4.14Å; V299-Y357 HydrophobicContact CG1-CE1 3.64Å; V299-Y357 HydrophobicContact CG1-CE2 4.33Å; V299-Y357 WeakPolarHBondContact O-CE1 3.41Å; A302-Y357 HydrophobicContact CB-CD1 4.29Å; L353-Y357 WeakPolarHBondContact O-CB 3.4Å; L353-Y357 PolarHBondContact O-N 3.34Å; Y357-L360 PolarHBondContact O-N 3.04Å; Y357-K361 HydrophobicContact CD1-CG 4.34Å; Y357-K361 HydrophobicContact CD2-CG 4.41Å; Y357-K361 HydrophobicContact CE1-CG 3.87Å; Y357-K361 HydrophobicContact CE2-CG 3.96Å; Y357-K361 PolarHBondContact O-N 3.5Å; Y357-V371 HydrophobicContact CD2-CG2 3.96Å; Y357-Y396 HydrophobicContact CD1-CD1 4.16Å; Y357-Y396 HydrophobicContact CD1-CE1 4.28Å; Y357-Y396 AromaticContact CD2-CD1 3.74Å; Y357-Y396 HydrophobicContact CD2-CD1 3.74Å; Y357-Y396 HydrophobicContact CE2-CD1 4.32Å; Y357-Y396 AromaticContact CG-CD1 3.66Å; Y357-Y396 HydrophobicContact CG-CD1 3.66Å; Y357-Y396 HydrophobicContact CG-CE1 4.07Å
358	S	96.6	Very high	93.6	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-63.2	-43.5	179.7	-61.2	0	0	0	0	112.1	A302 V306 H354 L355 Y356 R362	A302-S358 WeakPolarHBondContact CB-OG 3.31Å; A302-S358 PolarHBondContact O-OG 2.73Å; V306-S358 WeakPolarHBondContact CG2-OG 3.29Å; H354-S358 WeakPolarHBondContact O-CB 3.38Å; H354-S358 PolarHBondContact O-N 2.97Å; H354-S358 VanDerWaalsContact O-N 3.07Å; H354-S358 PolarHBondContact O-OG 3.34Å; L355-S358 WeakPolarHBondContact O-CB 3.08Å; L355-S358 PolarHBondContact O-N 2.91Å; Y356-S358 VanDerWaalsContact C-N 3.27Å; Y356-S358 PolarHBondContact O-N 3.25Å; S358-R362 WeakPolarHBondContact O-CB 3.44Å; S358-R362 PolarHBondContact O-N 3.11Å
359	T	96.6	Very high	92.8	Very high	1 Å²	1	49 Å²	49	1%	0.006	24%	0.235	C	C	.	.	H	α-helix	trans	-64.6	-45.7	175.5	-57.3	0	0	0	0	111.7	Y307 L324 I327 E328 L331 L355 Y356 R362 R363	Y307-T359 PolarHBondContact OH-OG1 3Å; L324-T359 VanDerWaalsContact CD2-OG1 3.24Å; L324-T359 WeakPolarHBondContact CD2-OG1 3.45Å; I327-T359 HydrophobicContact CG2-CG2 3.91Å; E328-T359 HydrophobicContact CG-CG2 3.63Å; L331-T359 HydrophobicContact CD1-CG2 3.73Å; L355-T359 PolarHBondContact O-N 3.47Å; L355-T359 PolarHBondContact O-OG1 2.71Å; Y356-T359 PolarHBondContact O-N 2.98Å; T359-R362 PolarHBondContact O-N 3.28Å; T359-R363 WeakPolarHBondContact O-CB 3.25Å; T359-R363 PolarHBondContact O-N 2.62Å
360	L	94.3	Very high	92.4	Very high	20 Å²	20	53.3 Å²	53.3	11%	0.105	25%	0.252	C	S	.	.	H	α-helix	trans	-60.7	-49.6	178.8	-80.7	-179.6	0	0	0	112.1	L331 A336 Y356 Y357 R362 R363 Y364 V371	L331-L360 HydrophobicContact CD1-CD2 3.99Å; L331-L360 HydrophobicContact CD2-CD2 3.91Å; A336-L360 HydrophobicContact CB-CD2 3.81Å; Y356-L360 HydrophobicContact CD1-CD1 4.07Å; Y356-L360 HydrophobicContact CD2-CD1 4.39Å; Y356-L360 HydrophobicContact CD2-CG 4.2Å; Y356-L360 HydrophobicContact CE1-CD1 3.5Å; Y356-L360 HydrophobicContact CE1-CG 4.29Å; Y356-L360 HydrophobicContact CE2-CD1 3.87Å; Y356-L360 HydrophobicContact CE2-CD2 4.11Å; Y356-L360 HydrophobicContact CE2-CG 3.75Å; Y356-L360 HydrophobicContact CG-CD1 4.49Å; Y356-L360 PolarHBondContact O-N 3.3Å; Y357-L360 PolarHBondContact O-N 3.04Å; L360-R362 VanDerWaalsContact C-N 3.28Å; L360-R362 PolarHBondContact O-N 3.01Å; L360-R363 PolarHBondContact O-N 3.18Å; L360-Y364 HydrophobicContact CD2-CD2 4.21Å; L360-Y364 HydrophobicContact CD2-CE2 4.31Å; L360-Y364 PolarHBondContact O-N 3Å; L360-V371 HydrophobicContact CD1-CG2 3.81Å
361	K	93.6	Very high	92.2	Very high	69 Å²	69	53.6 Å²	53.6	30%	0.3	25%	0.254	S	S	.	.	H	α-helix	trans	-67	-28.9	179.6	-71.9	-61.9	-177.5	-173.2	0	113	P303 Y357 Y364 P365 G367	P303-K361 HydrophobicContact CG-CB 3.72Å; Y357-K361 HydrophobicContact CD1-CG 4.34Å; Y357-K361 HydrophobicContact CD2-CG 4.41Å; Y357-K361 HydrophobicContact CE1-CG 3.87Å; Y357-K361 HydrophobicContact CE2-CG 3.96Å; Y357-K361 PolarHBondContact O-N 3.5Å; K361-Y364 CarbonylContact O-C 3.6Å; K361-P365 VanDerWaalsContact O-CA 3.26Å; K361-P365 WeakPolarHBondContact O-CA 3.28Å; K361-G367 PolarHBondContact NZ-O 3.15Å
362	R	92.6	Very high	92.1	Very high	139 Å²	139	54.4 Å²	54.4	53%	0.525	26%	0.258	S	S	.	.	H	α-helix	trans	-70.9	-41.6	172.3	-173.9	-178.3	179.4	113.8	-1.3	112.2	Y307 S358 T359 L360	Y307-R362 VanDerWaalsContact CE1-CD 3.49Å; Y307-R362 HydrophobicContact CE2-CB 4.1Å; Y307-R362 HydrophobicContact CE2-CG 4.35Å; S358-R362 WeakPolarHBondContact O-CB 3.44Å; S358-R362 PolarHBondContact O-N 3.11Å; T359-R362 PolarHBondContact O-N 3.28Å; L360-R362 VanDerWaalsContact C-N 3.28Å; L360-R362 PolarHBondContact O-N 3.01Å
363	R	91.9	Very high	92	Very high	96 Å²	96	54.4 Å²	54.4	36%	0.362	26%	0.258	S	S	.	.	H	α-helix	trans	-76.3	-34.7	-178	-169.4	172.9	179	140.7	2.9	112.4	D332 T359 L360	D332-R363 IonicContact OD1-CZ 3.14Å; D332-R363 IonicContact OD1-NH1 3.5Å; D332-R363 PolarHBondContact OD1-NH1 3.49Å; D332-R363 IonicContact OD1-NH2 2.66Å; D332-R363 PolarHBondContact OD1-NH2 3.22Å; T359-R363 WeakPolarHBondContact O-CB 3.25Å; T359-R363 PolarHBondContact O-N 2.62Å; L360-R363 PolarHBondContact O-N 3.18Å
364	Y	91.3	Very high	91.9	Very high	95 Å²	95	54.8 Å²	54.8	37%	0.373	26%	0.26	S	S	.	.			trans	-130.9	73.8	-178.7	-50	-72.5	0	0	0	110.6	A336 L360 K361 D366 G367	A336-Y364 HydrophobicContact CB-CE2 4.41Å; L360-Y364 HydrophobicContact CD2-CD2 4.21Å; L360-Y364 HydrophobicContact CD2-CE2 4.31Å; L360-Y364 PolarHBondContact O-N 3Å; K361-Y364 CarbonylContact O-C 3.6Å; Y364-D366 VanDerWaalsContact C-N 3.29Å; Y364-D366 PolarHBondContact O-N 3.43Å; Y364-G367 PolarHBondContact O-N 2.81Å
365	P	86.7	Confident	91.8	Very high	92 Å²	92	55.3 Å²	55.3	60%	0.597	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-40.1	-177.5	-25.1	35.2	0	0	0	113.4	K361 G367	K361-P365 VanDerWaalsContact O-CA 3.26Å; K361-P365 WeakPolarHBondContact O-CA 3.28Å; P365-G367 VanDerWaalsContact C-N 3.31Å
366	D	86.4	Confident	91.5	Very high	155 Å²	155	57 Å²	57	83%	0.829	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	7.2	178.7	-55.6	-51.2	0	0	0	113	Y364 K368	Y364-D366 VanDerWaalsContact C-N 3.29Å; Y364-D366 PolarHBondContact O-N 3.43Å; D366-K368 PolarHBondContact O-N 3.34Å
367	G	80	Confident	90.9	Very high	25 Å²	25	62.2 Å²	62.2	26%	0.258	29%	0.29	S	S	.	.			trans	-63.5	120.5	179.1	0	0	0	0	0	111.2	K361 Y364 P365	K361-G367 PolarHBondContact NZ-O 3.15Å; Y364-G367 PolarHBondContact O-N 2.81Å; P365-G367 VanDerWaalsContact C-N 3.31Å
368	K	77.3	Confident	90.1	Very high	196 Å²	196	64.3 Å²	64.3	85%	0.852	30%	0.303	S	S	*	.			trans	-88.8	-8.4	176.7	-64.5	-173.8	-179.7	-179.9	0	113.2	D366	D366-K368 PolarHBondContact O-N 3.34Å
369	D	79.9	Confident	89.3	Confident	100 Å²	100	70.2 Å²	70.2	54%	0.535	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-69	135.8	-178	-58.6	-36.5	0	0	0	111
370	K	88.5	Confident	88.9	Confident	98 Å²	98	72.1 Å²	72.1	43%	0.426	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-73.1	147.1	175.3	-64.1	-164	-179.2	-147.8	0	110.6	K372 D397 E399	K370-K372 PolarHBondContact O-N 3.13Å; K370-D397 WeakPolarHBondContact CB-O 3.27Å; K370-D397 VanDerWaalsContact CE-OD1 3.27Å; K370-D397 WeakPolarHBondContact CE-OD1 3.43Å; K370-D397 WeakPolarHBondContact CG-O 3.03Å; K370-D397 IonicContact NZ-OD1 2.73Å; K370-D397 PolarHBondContact NZ-OD1 3.33Å; K370-D397 IonicContact NZ-OD2 2.72Å; K370-E399 HydrophobicContact CB-CB 3.9Å; K370-E399 HydrophobicContact CD-CB 4.46Å
371	V	93.6	Very high	88.7	Confident	8 Å²	8	72.5 Å²	72.5	5%	0.048	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	118.7	171.3	178.5	0	0	0	0	108.4	V341 L353 Y356 Y357 L360 L398 E399	V341-V371 HydrophobicContact CG1-CG1 4.37Å; L353-V371 HydrophobicContact CD1-CG1 3.95Å; Y356-V371 HydrophobicContact CD1-CG1 3.76Å; Y356-V371 HydrophobicContact CE1-CG1 3.74Å; Y357-V371 HydrophobicContact CD2-CG2 3.96Å; L360-V371 HydrophobicContact CD1-CG2 3.81Å; V371-L398 HydrophobicContact CB-CD2 3.67Å; V371-L398 HydrophobicContact CG1-CD2 3.88Å; V371-L398 CarbonylContact O-C 3.57Å; V371-L398 WeakPolarHBondContact O-CA 3.3Å; V371-E399 PolarHBondContact O-N 3.03Å
372	K	96.4	Very high	88.7	Confident	17 Å²	17	70 Å²	70	7%	0.074	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	126	180	-61.7	176.3	-173.4	63	0	110	E337 C340 V341 K370 E399 L421	E337-K372 WeakPolarHBondContact O-CE 3.4Å; C340-K372 CarbonylContact C-O 3.58Å; C340-K372 VanDerWaalsContact CA-O 3.3Å; C340-K372 WeakPolarHBondContact CA-O 3.43Å; C340-K372 HydrophobicContact CB-CB 3.74Å; C340-K372 WeakPolarHBondContact CB-O 3.09Å; V341-K372 PolarHBondContact N-O 3.39Å; K370-K372 PolarHBondContact O-N 3.13Å; K372-E399 HydrophobicContact CG-CB 4.45Å; K372-L421 HydrophobicContact CD-CD2 3.8Å
373	A	96.9	Very high	88.7	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	122.8	-179.1	0	0	0	0	0	110.6	V341 L398 E399 L400 I401	V341-A373 HydrophobicContact CG1-CB 4.03Å; V341-A373 CarbonylContact O-C 3.6Å; V341-A373 VanDerWaalsContact O-CA 3.3Å; V341-A373 WeakPolarHBondContact O-CA 3.34Å; A373-L398 HydrophobicContact CB-CB 4.43Å; A373-L398 HydrophobicContact CB-CD1 4.11Å; A373-E399 PolarHBondContact N-O 3.01Å; A373-L400 HydrophobicContact CB-CD1 3.85Å; A373-I401 PolarHBondContact O-N 3.5Å
374	L	96.2	Very high	88.8	Confident	8 Å²	8	65.6 Å²	65.6	4%	0.042	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	116.2	173.6	177.1	66.4	0	0	0	109.6	V341 Y343 I376 I401 V403 L411 L414	V341-L374 PolarHBondContact O-N 3.49Å; Y343-L374 PolarHBondContact N-O 2.81Å; L374-I376 HydrophobicContact CD2-CD1 4.48Å; L374-I376 HydrophobicContact CD2-CG1 4.41Å; L374-I376 HydrophobicContact CG-CG1 4.27Å; L374-I401 HydrophobicContact CD1-CG2 4.43Å; L374-V403 HydrophobicContact CD1-CG2 3.75Å; L374-L411 HydrophobicContact CD2-CD2 4.1Å; L374-L414 HydrophobicContact CD1-CD1 3.97Å; L374-L414 HydrophobicContact CD1-CD2 4.01Å; L374-L414 HydrophobicContact CD1-CG 4.46Å; L374-L414 HydrophobicContact CD2-CD2 3.86Å; L374-L414 HydrophobicContact CG-CD2 4.44Å
375	Y	94.9	Very high	88.8	Confident	11 Å²	11	61.8 Å²	61.8	4%	0.043	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	110.6	173	178	-135.2	0	0	0	110.5	Y343 N344 R377 E386 L389 I401 S402 V403	Y343-Y375 WeakPolarHBondContact O-CD2 3.5Å; N344-Y375 HydrophobicContact CB-CD2 4.37Å; N344-Y375 HydrophobicContact CB-CE2 4.34Å; Y375-R377 HydrophobicContact CE1-CB 4.13Å; Y375-R377 HydrophobicContact CE1-CG 3.99Å; Y375-E386 PolarHBondContact OH-OE1 2.98Å; Y375-L389 HydrophobicContact CD1-CD1 4.3Å; Y375-L389 HydrophobicContact CD2-CD1 4.11Å; Y375-L389 HydrophobicContact CE1-CD1 3.79Å; Y375-L389 HydrophobicContact CE2-CD1 3.62Å; Y375-L389 HydrophobicContact CG-CD1 4.44Å; Y375-L389 VanDerWaalsContact CZ-CD1 3.43Å; Y375-I401 PolarHBondContact N-O 3.31Å; Y375-S402 WeakPolarHBondContact O-CA 3.29Å; Y375-V403 PolarHBondContact O-N 2.83Å
376	I	92.3	Very high	89.1	Confident	37 Å²	37	59.1 Å²	59.1	19%	0.19	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	109.8	171.3	-51.8	179.6	0	0	0	107.2	L374 V403 I407 A410	L374-I376 HydrophobicContact CD2-CD1 4.48Å; L374-I376 HydrophobicContact CD2-CG1 4.41Å; L374-I376 HydrophobicContact CG-CG1 4.27Å; I376-V403 WeakPolarHBondContact CA-O 3.22Å; I376-V403 HydrophobicContact CB-CG2 4.43Å; I376-V403 HydrophobicContact CG1-CG2 3.91Å; I376-I407 HydrophobicContact CD1-CB 4.38Å; I376-I407 HydrophobicContact CD1-CG1 4.3Å; I376-I407 HydrophobicContact CD1-CG2 4.11Å; I376-A410 HydrophobicContact CD1-CB 3.74Å; I376-A410 HydrophobicContact CG1-CB 3.88Å; I376-A410 HydrophobicContact CG2-CB 3.98Å
377	R	86	Confident	89.5	Confident	111 Å²	111	57.9 Å²	57.9	42%	0.419	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	128.5	-172.5	-164.6	178.1	-166.8	-175.9	4.6	111.1	Y375 E386 V403 E404	Y375-R377 HydrophobicContact CE1-CB 4.13Å; Y375-R377 HydrophobicContact CE1-CG 3.99Å; R377-E386 IonicContact NH2-OE2 2.66Å; R377-V403 PolarHBondContact N-O 3.31Å; R377-E404 HydrophobicContact CB-CG 4.29Å
378	N	81.2	Confident	90.2	Very high	72 Å²	72	57.8 Å²	57.8	39%	0.385	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-78.3	153.6	174.1	-71.5	-22.7	0	0	0	111.4	S380	N378-S380 PolarHBondContact O-N 3.02Å
379	V	79.5	Confident	91	Very high	125 Å²	125	48.7 Å²	48.7	76%	0.758	24%	0.244	S	C	*	.	S	Bend	trans	-67.6	127.9	163.8	-173.9	0	0	0	0	107.8	S489	V379-S489 WeakPolarHBondContact O-CB 3.47Å
380	S	88.3	Confident	91.7	Very high	40 Å²	40	49.5 Å²	49.5	28%	0.28	25%	0.245	S	C	.	.	S	Bend	trans	59.8	61.7	178.5	-157.7	0	0	0	0	114.3	N378 M490 D491	N378-S380 PolarHBondContact O-N 3.02Å; S380-M490 PolarHBondContact O-N 3.06Å; S380-M490 WeakPolarHBondContact OG-CE 3.43Å; S380-D491 WeakPolarHBondContact CB-OD2 3.13Å
381	P	89.6	Confident	91.9	Very high	28 Å²	28	48.6 Å²	48.6	18%	0.182	25%	0.245	C	C	.	.			trans	-72.3	153	177.1	33	-34.6	0	0	0	110.9	E386 M490	P381-E386 HydrophobicContact CB-CG 4.02Å; P381-E386 WeakPolarHBondContact CB-OE1 3.36Å; P381-E386 HydrophobicContact CG-CG 3.87Å; P381-E386 WeakPolarHBondContact CG-OE1 3.41Å; P381-M490 WeakPolarHBondContact O-CE 3.37Å
382	F	92.3	Very high	92	Very high	16 Å²	16	48.5 Å²	48.5	7%	0.07	25%	0.245	C	C	.	.			trans	-65.5	134.1	172.4	-72.7	-93.8	0	0	0	110.8	E384 M385 E386 L479 Y484 M490	F382-E384 VanDerWaalsContact C-N 3.27Å; F382-E384 PolarHBondContact O-N 3.05Å; F382-M385 HydrophobicContact CB-CB 3.89Å; F382-M385 WeakPolarHBondContact O-CA 3.27Å; F382-M385 WeakPolarHBondContact O-CB 3.48Å; F382-M385 PolarHBondContact O-N 2.96Å; F382-E386 PolarHBondContact O-N 2.59Å; F382-L479 HydrophobicContact CB-CD1 3.61Å; F382-L479 HydrophobicContact CD1-CD1 3.61Å; F382-L479 HydrophobicContact CD1-CD2 4.27Å; F382-L479 HydrophobicContact CD2-CD1 4Å; F382-L479 HydrophobicContact CE1-CD1 4.25Å; F382-L479 HydrophobicContact CG-CD1 3.46Å; F382-L479 VanDerWaalsContact CG-CD1 3.46Å; F382-Y484 HydrophobicContact CE1-CE1 4.17Å; F382-Y484 AromaticContact CZ-CE1 3.92Å; F382-Y484 HydrophobicContact CZ-CE1 3.92Å; F382-M490 HydrophobicContact CB-CG 4.38Å; F382-M490 HydrophobicContact CD1-CG 3.67Å; F382-M490 HydrophobicContact CD1-SD 4.28Å; F382-M490 HydrophobicContact CD2-CG 3.9Å; F382-M490 HydrophobicContact CE1-CB 4.49Å; F382-M490 HydrophobicContact CE1-CG 3.81Å; F382-M490 HydrophobicContact CE2-CG 4.03Å; F382-M490 HydrophobicContact CG-CG 3.71Å; F382-M490 HydrophobicContact CZ-CB 4.35Å; F382-M490 HydrophobicContact CZ-CG 3.98Å
383	P	93.3	Very high	92	Very high	85 Å²	85	49.2 Å²	49.2	55%	0.552	25%	0.25	S	S	*	.	H	α-helix	trans	-57.6	-37.9	174.3	-26.2	35	0	0	0	113.2	M385 E386 R387	P383-M385 PolarHBondContact O-N 2.69Å; P383-E386 PolarHBondContact O-N 3.06Å; P383-R387 WeakPolarHBondContact O-CB 3.33Å; P383-R387 PolarHBondContact O-N 3.47Å
384	E	93.8	Very high	91.8	Very high	59 Å²	59	57.3 Å²	57.3	28%	0.276	29%	0.286	S	S	.	.	H	α-helix	trans	-64.6	-29.3	174.3	-64.1	101.1	135.2	0	0	112.8	F382 F388 I478 L479 K482	F382-E384 VanDerWaalsContact C-N 3.27Å; F382-E384 PolarHBondContact O-N 3.05Å; E384-F388 WeakPolarHBondContact O-CB 3.3Å; E384-F388 PolarHBondContact O-N 3.1Å; E384-F388 VanDerWaalsContact O-N 3.07Å; E384-I478 HydrophobicContact CB-CG2 4.01Å; E384-I478 HydrophobicContact CG-CG2 3.98Å; E384-L479 HydrophobicContact CB-CD1 4.39Å; E384-L479 HydrophobicContact CB-CD2 4.24Å; E384-L479 HydrophobicContact CB-CG 4.03Å; E384-L479 HydrophobicContact CG-CD2 4.32Å; E384-K482 IonicContact OE1-NZ 3.47Å; E384-K482 PolarHBondContact OE1-NZ 2.83Å
385	M	92.6	Very high	91.7	Very high	14 Å²	14	60.7 Å²	60.7	7%	0.069	30%	0.3	C	S	.	.	H	α-helix	trans	-74.1	-45.9	177.3	-171.2	74.1	-79.3	0	0	111.3	G345 F382 P383 R387 F388 L389 C477 L487	G345-M385 VanDerWaalsContact O-CE 3.3Å; G345-M385 WeakPolarHBondContact O-CE 3.3Å; F382-M385 HydrophobicContact CB-CB 3.89Å; F382-M385 WeakPolarHBondContact O-CA 3.27Å; F382-M385 WeakPolarHBondContact O-CB 3.48Å; F382-M385 PolarHBondContact O-N 2.96Å; P383-M385 PolarHBondContact O-N 2.69Å; M385-R387 VanDerWaalsContact C-N 3.31Å; M385-R387 PolarHBondContact O-N 2.59Å; M385-F388 HydrophobicContact CE-CB 3.67Å; M385-F388 HydrophobicContact CE-CD1 3.24Å; M385-F388 HydrophobicContact CE-CE1 4.17Å; M385-F388 HydrophobicContact CE-CG 3.8Å; M385-F388 PolarHBondContact O-N 3.37Å; M385-L389 WeakPolarHBondContact O-CG 3.49Å; M385-L389 PolarHBondContact O-N 3.24Å; M385-C477 HydrophobicContact CE-CB 3.51Å; M385-C477 HydrophobicContact SD-CB 4.09Å; M385-L487 HydrophobicContact SD-CD1 3.9Å
386	E	92.7	Very high	91.7	Very high	36 Å²	36	60.7 Å²	60.7	17%	0.168	30%	0.3	C	S	.	.	H	α-helix	trans	-59.8	-41.8	174.8	-68.5	-71	136.9	0	0	111.6	Y375 R377 P381 F382 P383 L389 Q390	Y375-E386 PolarHBondContact OH-OE1 2.98Å; R377-E386 IonicContact NH2-OE2 2.66Å; P381-E386 HydrophobicContact CB-CG 4.02Å; P381-E386 WeakPolarHBondContact CB-OE1 3.36Å; P381-E386 HydrophobicContact CG-CG 3.87Å; P381-E386 WeakPolarHBondContact CG-OE1 3.41Å; F382-E386 PolarHBondContact O-N 2.59Å; P383-E386 PolarHBondContact O-N 3.06Å; E386-L389 WeakPolarHBondContact O-CB 3.3Å; E386-L389 PolarHBondContact O-N 3.01Å; E386-Q390 WeakPolarHBondContact O-CG 3.44Å; E386-Q390 PolarHBondContact O-N 3.04Å
387	R	93.8	Very high	91.7	Very high	130 Å²	130	62.9 Å²	62.9	49%	0.491	31%	0.312	S	S	.	.	H	α-helix	trans	-61.6	-47.2	174.7	-176.7	176.6	-178.7	164	3.7	111.8	L257 P383 M385 L389 Q390 D391	L257-R387 VanDerWaalsContact CD1-NH1 3.34Å; P383-R387 WeakPolarHBondContact O-CB 3.33Å; P383-R387 PolarHBondContact O-N 3.47Å; M385-R387 VanDerWaalsContact C-N 3.31Å; M385-R387 PolarHBondContact O-N 2.59Å; R387-L389 VanDerWaalsContact C-N 3.3Å; R387-L389 PolarHBondContact O-N 3.01Å; R387-Q390 WeakPolarHBondContact O-CB 3.5Å; R387-Q390 PolarHBondContact O-N 2.96Å; R387-D391 PolarHBondContact O-N 3.01Å
388	F	95.1	Very high	92.2	Very high	23 Å²	23	58 Å²	58	10%	0.101	30%	0.295	C	S	.	.	H	α-helix	trans	-61.8	-39	178.1	175.8	-99	0	0	0	112.2	Y343 G345 T350 E384 M385 D391 A392 P475 Y476 C477	Y343-F388 WeakPolarHBondContact OH-CE1 3.41Å; G345-F388 WeakPolarHBondContact O-CE1 3.3Å; T350-F388 HydrophobicContact CG2-CZ 4.06Å; E384-F388 WeakPolarHBondContact O-CB 3.3Å; E384-F388 PolarHBondContact O-N 3.1Å; E384-F388 VanDerWaalsContact O-N 3.07Å; M385-F388 HydrophobicContact CE-CB 3.67Å; M385-F388 HydrophobicContact CE-CD1 3.24Å; M385-F388 HydrophobicContact CE-CE1 4.17Å; M385-F388 HydrophobicContact CE-CG 3.8Å; M385-F388 PolarHBondContact O-N 3.37Å; F388-D391 PolarHBondContact O-N 3.05Å; F388-A392 WeakPolarHBondContact O-CB 3.37Å; F388-A392 PolarHBondContact O-N 3.08Å; F388-P475 HydrophobicContact CE2-CB 4.29Å; F388-P475 WeakPolarHBondContact CE2-O 3.17Å; F388-P475 WeakPolarHBondContact CZ-O 3.47Å; F388-Y476 VanDerWaalsContact CE2-C 3.41Å; F388-Y476 VanDerWaalsContact CE2-CA 3.44Å; F388-C477 HydrophobicContact CB-CB 4.44Å; F388-C477 HydrophobicContact CD1-CB 4.31Å; F388-C477 HydrophobicContact CG-CB 4.23Å
389	L	94.4	Very high	92.9	Very high	4 Å²	4	57.2 Å²	57.2	2%	0.021	29%	0.288	C	S	.	.	H	α-helix	trans	-58.6	-47.3	173.4	-78.1	171.3	0	0	0	111.3	Y343 Y375 M385 E386 R387 D391 A392 T393	Y343-L389 HydrophobicContact CD1-CD2 3.59Å; Y343-L389 HydrophobicContact CE1-CD2 3.36Å; Y375-L389 HydrophobicContact CD1-CD1 4.3Å; Y375-L389 HydrophobicContact CD2-CD1 4.11Å; Y375-L389 HydrophobicContact CE1-CD1 3.79Å; Y375-L389 HydrophobicContact CE2-CD1 3.62Å; Y375-L389 HydrophobicContact CG-CD1 4.44Å; Y375-L389 VanDerWaalsContact CZ-CD1 3.43Å; M385-L389 WeakPolarHBondContact O-CG 3.49Å; M385-L389 PolarHBondContact O-N 3.24Å; E386-L389 WeakPolarHBondContact O-CB 3.3Å; E386-L389 PolarHBondContact O-N 3.01Å; R387-L389 VanDerWaalsContact C-N 3.3Å; R387-L389 PolarHBondContact O-N 3.01Å; L389-D391 PolarHBondContact O-N 2.67Å; L389-A392 PolarHBondContact O-N 3.47Å; L389-T393 WeakPolarHBondContact O-CB 3.28Å; L389-T393 PolarHBondContact O-N 2.66Å; L389-T393 PolarHBondContact O-OG1 2.86Å
390	Q	94.3	Very high	93.6	Very high	117 Å²	117	54.1 Å²	54.1	55%	0.547	27%	0.267	S	S	.	.	H	α-helix	trans	-61.2	-42.9	177.5	-69	171.8	3.3	0	0	112.4	E386 R387 T393 K394	E386-Q390 WeakPolarHBondContact O-CG 3.44Å; E386-Q390 PolarHBondContact O-N 3.04Å; R387-Q390 WeakPolarHBondContact O-CB 3.5Å; R387-Q390 PolarHBondContact O-N 2.96Å; Q390-T393 PolarHBondContact O-N 2.77Å; Q390-K394 PolarHBondContact O-N 3.2Å; Q390-K394 VanDerWaalsContact O-N 3.11Å
391	D	93.6	Very high	93.9	Very high	80 Å²	80	53 Å²	53	43%	0.428	26%	0.258	S	S	.	.	H	α-helix	trans	-65.2	-43.7	178.3	-69.6	-23.4	0	0	0	110.9	R387 F388 L389 K394 K395	R387-D391 PolarHBondContact O-N 3.01Å; F388-D391 PolarHBondContact O-N 3.05Å; L389-D391 PolarHBondContact O-N 2.67Å; D391-K394 PolarHBondContact O-N 2.84Å; D391-K395 VanDerWaalsContact O-CB 3.31Å; D391-K395 WeakPolarHBondContact O-CB 3.47Å; D391-K395 PolarHBondContact O-N 3.34Å
392	A	94.8	Very high	94.1	Very high	6 Å²	6	55 Å²	55	5%	0.05	27%	0.273	C	S	.	.	H	α-helix	trans	-65.7	-41.8	175.8	0	0	0	0	0	112.3	Y343 F388 L389 K394 K395 Y396	Y343-A392 HydrophobicContact CE1-CB 4Å; Y343-A392 WeakPolarHBondContact OH-CB 3.38Å; F388-A392 WeakPolarHBondContact O-CB 3.37Å; F388-A392 PolarHBondContact O-N 3.08Å; L389-A392 PolarHBondContact O-N 3.47Å; A392-K394 VanDerWaalsContact C-N 3.3Å; A392-K394 PolarHBondContact O-N 3.29Å; A392-K395 PolarHBondContact O-N 3.37Å; A392-Y396 HydrophobicContact CB-CD2 4.43Å; A392-Y396 WeakPolarHBondContact O-CD2 3.45Å; A392-Y396 PolarHBondContact O-N 2.98Å
393	T	95.6	Very high	94.1	Very high	31 Å²	31	54.4 Å²	54.4	19%	0.19	27%	0.27	C	S	.	.	H	α-helix	trans	-56.3	-44.6	175	-67.8	0	0	0	0	111.4	L389 Q390 D397 L398 L400	L389-T393 WeakPolarHBondContact O-CB 3.28Å; L389-T393 PolarHBondContact O-N 2.66Å; L389-T393 PolarHBondContact O-OG1 2.86Å; Q390-T393 PolarHBondContact O-N 2.77Å; T393-D397 CarbonylContact O-C 3.42Å; T393-D397 WeakPolarHBondContact O-CA 3.25Å; T393-D397 PolarHBondContact O-N 2.85Å; T393-D397 VanDerWaalsContact O-N 3.17Å; T393-L398 HydrophobicContact CG2-CB 4.21Å; T393-L398 PolarHBondContact O-N 3.25Å; T393-L400 HydrophobicContact CG2-CB 4.46Å
394	K	94.3	Very high	93.8	Very high	171 Å²	171	56.3 Å²	56.3	74%	0.743	27%	0.272	S	S	*	.	H	α-helix	trans	-67.6	-46.5	175.4	-73.1	176.9	179.2	175.4	0	111.9	Q390 D391 A392 Y396 D397	Q390-K394 PolarHBondContact O-N 3.2Å; Q390-K394 VanDerWaalsContact O-N 3.11Å; D391-K394 PolarHBondContact O-N 2.84Å; A392-K394 VanDerWaalsContact C-N 3.3Å; A392-K394 PolarHBondContact O-N 3.29Å; K394-Y396 PolarHBondContact O-N 2.97Å; K394-D397 PolarHBondContact O-N 3.47Å
395	K	93.2	Very high	93.5	Very high	79 Å²	79	55.8 Å²	55.8	34%	0.343	28%	0.282	S	S	.	.	H	α-helix	trans	-67.8	-36.9	-172.3	-163.4	173.7	-169.6	160.9	0	113.4	D297 V299 D391 A392	D297-K395 WeakPolarHBondContact OD1-CE 3.39Å; V299-K395 HydrophobicContact CB-CD 4.44Å; V299-K395 HydrophobicContact CB-CG 4.11Å; V299-K395 HydrophobicContact CG2-CD 3.68Å; V299-K395 HydrophobicContact CG2-CG 3.72Å; D391-K395 VanDerWaalsContact O-CB 3.31Å; D391-K395 WeakPolarHBondContact O-CB 3.47Å; D391-K395 PolarHBondContact O-N 3.34Å; A392-K395 PolarHBondContact O-N 3.37Å
396	Y	94.6	Very high	93.3	Very high	10 Å²	10	57.9 Å²	57.9	4%	0.039	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	2.2	177.7	-71.1	-91.6	0	0	0	113.3	V299 L353 H354 Y357 A392 K394 L398	V299-Y396 HydrophobicContact CB-CE1 4.29Å; V299-Y396 HydrophobicContact CG1-CD1 3.55Å; V299-Y396 HydrophobicContact CG1-CE1 3.68Å; V299-Y396 HydrophobicContact CG1-CG 4.04Å; V299-Y396 HydrophobicContact CG2-CD1 4.17Å; V299-Y396 HydrophobicContact CG2-CD2 4.11Å; V299-Y396 HydrophobicContact CG2-CE1 3.67Å; V299-Y396 HydrophobicContact CG2-CE2 3.62Å; V299-Y396 HydrophobicContact CG2-CG 4.38Å; L353-Y396 HydrophobicContact CD2-CD1 4.41Å; L353-Y396 HydrophobicContact CD2-CD2 3.9Å; L353-Y396 HydrophobicContact CD2-CE2 4.07Å; L353-Y396 HydrophobicContact CD2-CG 4.07Å; L353-Y396 HydrophobicContact CG-CD1 4.24Å; L353-Y396 HydrophobicContact CG-CE1 4.3Å; L353-Y396 HydrophobicContact CG-CG 4.38Å; H354-Y396 AromaticContact ND1-CE1 3.83Å; H354-Y396 AromaticContact ND1-CZ 3.75Å; H354-Y396 PolarHBondContact ND1-OH 3.26Å; Y357-Y396 HydrophobicContact CD1-CD1 4.16Å; Y357-Y396 HydrophobicContact CD1-CE1 4.28Å; Y357-Y396 AromaticContact CD2-CD1 3.74Å; Y357-Y396 HydrophobicContact CD2-CD1 3.74Å; Y357-Y396 HydrophobicContact CE2-CD1 4.32Å; Y357-Y396 AromaticContact CG-CD1 3.66Å; Y357-Y396 HydrophobicContact CG-CD1 3.66Å; Y357-Y396 HydrophobicContact CG-CE1 4.07Å; A392-Y396 HydrophobicContact CB-CD2 4.43Å; A392-Y396 WeakPolarHBondContact O-CD2 3.45Å; A392-Y396 PolarHBondContact O-N 2.98Å; K394-Y396 PolarHBondContact O-N 2.97Å; Y396-L398 HydrophobicContact CG-CD2 4.42Å; Y396-L398 PolarHBondContact O-N 2.97Å
397	D	93.9	Very high	93.1	Very high	84 Å²	84	61.1 Å²	61.1	45%	0.449	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.8	54.8	-172	-167.8	30.9	0	0	0	112.9	K370 T393 K394	K370-D397 WeakPolarHBondContact CB-O 3.27Å; K370-D397 VanDerWaalsContact CE-OD1 3.27Å; K370-D397 WeakPolarHBondContact CE-OD1 3.43Å; K370-D397 WeakPolarHBondContact CG-O 3.03Å; K370-D397 IonicContact NZ-OD1 2.73Å; K370-D397 PolarHBondContact NZ-OD1 3.33Å; K370-D397 IonicContact NZ-OD2 2.72Å; T393-D397 CarbonylContact O-C 3.42Å; T393-D397 WeakPolarHBondContact O-CA 3.25Å; T393-D397 PolarHBondContact O-N 2.85Å; T393-D397 VanDerWaalsContact O-N 3.17Å; K394-D397 PolarHBondContact O-N 3.47Å
398	L	95.6	Very high	93	Very high	9 Å²	9	60.8 Å²	60.8	5%	0.047	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	142.9	-175.2	-51.7	-178.1	0	0	0	112.2	Y343 L353 V371 A373 T393 Y396 L400	Y343-L398 HydrophobicContact CD1-CD1 4.21Å; Y343-L398 HydrophobicContact CE1-CD1 4.24Å; L353-L398 HydrophobicContact CD1-CD2 3.8Å; L353-L398 HydrophobicContact CD2-CD1 3.93Å; L353-L398 HydrophobicContact CD2-CD2 4.4Å; V371-L398 HydrophobicContact CB-CD2 3.67Å; V371-L398 HydrophobicContact CG1-CD2 3.88Å; V371-L398 CarbonylContact O-C 3.57Å; V371-L398 WeakPolarHBondContact O-CA 3.3Å; A373-L398 HydrophobicContact CB-CB 4.43Å; A373-L398 HydrophobicContact CB-CD1 4.11Å; T393-L398 HydrophobicContact CG2-CB 4.21Å; T393-L398 PolarHBondContact O-N 3.25Å; Y396-L398 HydrophobicContact CG-CD2 4.42Å; Y396-L398 PolarHBondContact O-N 2.97Å; L398-L400 PolarHBondContact O-N 3.4Å
399	E	95.9	Very high	92.8	Very high	54 Å²	54	65.3 Å²	65.3	25%	0.252	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	96.1	158.5	-176.9	-177.8	-179.8	0	0	108.4	K370 V371 K372 A373 I401 R418	K370-E399 HydrophobicContact CB-CB 3.9Å; K370-E399 HydrophobicContact CD-CB 4.46Å; V371-E399 PolarHBondContact O-N 3.03Å; K372-E399 HydrophobicContact CG-CB 4.45Å; A373-E399 PolarHBondContact N-O 3.01Å; E399-I401 PolarHBondContact O-N 3.19Å; E399-R418 IonicContact OE1-CZ 2.85Å; E399-R418 IonicContact OE1-NH1 3.88Å; E399-R418 PolarHBondContact OE1-NH1 3.05Å; E399-R418 IonicContact OE1-NH2 3.19Å; E399-R418 PolarHBondContact OE1-NH2 3.29Å
400	L	95	Very high	92.6	Very high	60 Å²	60	65.1 Å²	65.1	31%	0.314	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	114.1	-176.2	-165.1	68.6	0	0	0	111.3	A373 T393 L398	A373-L400 HydrophobicContact CB-CD1 3.85Å; T393-L400 HydrophobicContact CG2-CB 4.46Å; L398-L400 PolarHBondContact O-N 3.4Å
401	I	94.4	Very high	92.5	Very high	17 Å²	17	60.3 Å²	60.3	9%	0.087	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	105.3	175.9	-55.8	162.1	0	0	0	107.6	A373 L374 Y375 E399 L414 R418 L421	A373-I401 PolarHBondContact O-N 3.5Å; L374-I401 HydrophobicContact CD1-CG2 4.43Å; Y375-I401 PolarHBondContact N-O 3.31Å; E399-I401 PolarHBondContact O-N 3.19Å; I401-L414 HydrophobicContact CD1-CD1 4.28Å; I401-L414 HydrophobicContact CG2-CD1 3.75Å; I401-R418 HydrophobicContact CD1-CG 4.33Å; I401-L421 HydrophobicContact CD1-CD1 3.87Å
402	S	92.9	Very high	92.5	Very high	70 Å²	70	59.9 Å²	59.9	49%	0.49	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	130.4	-178.6	-60.1	0	0	0	0	111.3	Y375	Y375-S402 WeakPolarHBondContact O-CA 3.29Å
403	V	91.6	Very high	92.4	Very high	3 Å²	3	62.6 Å²	62.6	2%	0.018	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	157.7	177.9	-66.8	0	0	0	0	109.9	L374 Y375 I376 R377 A410 E413	L374-V403 HydrophobicContact CD1-CG2 3.75Å; Y375-V403 PolarHBondContact O-N 2.83Å; I376-V403 WeakPolarHBondContact CA-O 3.22Å; I376-V403 HydrophobicContact CB-CG2 4.43Å; I376-V403 HydrophobicContact CG1-CG2 3.91Å; R377-V403 PolarHBondContact N-O 3.31Å; V403-A410 HydrophobicContact CB-CB 4.2Å; V403-A410 HydrophobicContact CG2-CB 3.48Å; V403-A410 VanDerWaalsContact CG2-CB 3.48Å; V403-E413 HydrophobicContact CG1-CG 4.22Å
404	E	88.2	Confident	92.2	Very high	126 Å²	126	61.1 Å²	61.1	59%	0.589	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.3	163.4	-177.3	-60.9	-169.1	167	0	0	111.6	R377	R377-E404 HydrophobicContact CB-CG 4.29Å
405	G	86.8	Confident	92.1	Very high	48 Å²	48	56.3 Å²	56.3	50%	0.495	29%	0.293	S	S	.	.	S	Bend	trans	93.7	-162.9	176.9	0	0	0	0	0	114.2
406	S	88.8	Confident	92.1	Very high	58 Å²	58	58.7 Å²	58.7	41%	0.406	31%	0.31	S	S	.	.			trans	-67.6	157.2	179.6	66.1	0	0	0	0	111.6	R408 Q409 A410	S406-R408 PolarHBondContact O-N 3.4Å; S406-R408 VanDerWaalsContact O-N 3.13Å; S406-Q409 PolarHBondContact O-N 3.37Å; S406-Q409 VanDerWaalsContact OG-CD 3.29Å; S406-Q409 VanDerWaalsContact OG-CG 3.31Å; S406-Q409 WeakPolarHBondContact OG-CG 3.46Å; S406-Q409 PolarHBondContact OG-N 2.82Å; S406-Q409 PolarHBondContact OG-OE1 2.82Å; S406-A410 WeakPolarHBondContact O-CB 3.35Å; S406-A410 PolarHBondContact O-N 2.84Å
407	I	88.8	Confident	92	Very high	103 Å²	103	64.3 Å²	64.3	53%	0.528	33%	0.334	S	S	.	.	H	α-helix	trans	-53.3	-40.4	178.9	-55.8	174.2	0	0	0	111.3	I376 L411 W448	I376-I407 HydrophobicContact CD1-CB 4.38Å; I376-I407 HydrophobicContact CD1-CG1 4.3Å; I376-I407 HydrophobicContact CD1-CG2 4.11Å; I407-L411 HydrophobicContact CG2-CD1 4.15Å; I407-L411 HydrophobicContact CG2-CG 4.47Å; I407-L411 WeakPolarHBondContact O-CB 3.5Å; I407-L411 VanDerWaalsContact O-CG 3.3Å; I407-L411 WeakPolarHBondContact O-CG 3.24Å; I407-L411 PolarHBondContact O-N 3.28Å; I407-W448 HydrophobicContact CB-CH2 4.31Å; I407-W448 HydrophobicContact CB-CZ3 4.15Å; I407-W448 HydrophobicContact CG2-CH2 4.4Å; I407-W448 HydrophobicContact CG2-CZ3 3.88Å
408	R	90.6	Very high	92	Very high	124 Å²	124	64 Å²	64	47%	0.468	33%	0.327	S	S	.	.	H	α-helix	trans	-66.6	-42.8	178.2	-169.8	175.8	178	-160.3	-1.4	112.2	S406 L411 N412 G447 W448	S406-R408 PolarHBondContact O-N 3.4Å; S406-R408 VanDerWaalsContact O-N 3.13Å; R408-L411 PolarHBondContact O-N 2.85Å; R408-N412 PolarHBondContact O-N 3.3Å; R408-N412 VanDerWaalsContact O-N 3.1Å; R408-N412 PolarHBondContact O-ND2 3.13Å; R408-G447 VanDerWaalsContact CZ-O 3.32Å; R408-G447 PolarHBondContact NE-O 3.28Å; R408-G447 PolarHBondContact NH2-O 3.04Å; R408-W448 HydrophobicContact CB-CD2 4.31Å; R408-W448 HydrophobicContact CB-CE3 3.88Å; R408-W448 HydrophobicContact CB-CH2 3.84Å; R408-W448 HydrophobicContact CB-CZ2 4.25Å; R408-W448 HydrophobicContact CB-CZ3 3.64Å; R408-W448 HydrophobicContact CG-CD2 4.05Å; R408-W448 HydrophobicContact CG-CE3 3.95Å; R408-W448 HydrophobicContact CG-CZ3 4.24Å
409	Q	90.9	Very high	91.9	Very high	117 Å²	117	67 Å²	67	55%	0.547	35%	0.347	S	S	.	.	H	α-helix	trans	-64.5	-46.8	176.8	-73.8	164.4	-43.3	0	0	111	S406 L411 N412 E413	S406-Q409 PolarHBondContact O-N 3.37Å; S406-Q409 VanDerWaalsContact OG-CD 3.29Å; S406-Q409 VanDerWaalsContact OG-CG 3.31Å; S406-Q409 WeakPolarHBondContact OG-CG 3.46Å; S406-Q409 PolarHBondContact OG-N 2.82Å; S406-Q409 PolarHBondContact OG-OE1 2.82Å; Q409-L411 VanDerWaalsContact C-N 3.3Å; Q409-L411 PolarHBondContact O-N 3.34Å; Q409-N412 WeakPolarHBondContact O-CB 3.48Å; Q409-N412 PolarHBondContact O-N 2.64Å; Q409-N412 VanDerWaalsContact O-N 3.08Å; Q409-E413 PolarHBondContact O-N 3.16Å
410	A	91.4	Very high	91.9	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-55.7	-42.3	175.9	0	0	0	0	0	112.6	I376 V403 S406 E413 L414	I376-A410 HydrophobicContact CD1-CB 3.74Å; I376-A410 HydrophobicContact CG1-CB 3.88Å; I376-A410 HydrophobicContact CG2-CB 3.98Å; V403-A410 HydrophobicContact CB-CB 4.2Å; V403-A410 HydrophobicContact CG2-CB 3.48Å; V403-A410 VanDerWaalsContact CG2-CB 3.48Å; S406-A410 WeakPolarHBondContact O-CB 3.35Å; S406-A410 PolarHBondContact O-N 2.84Å; A410-E413 PolarHBondContact O-N 3.23Å; A410-L414 WeakPolarHBondContact O-CB 3.49Å; A410-L414 PolarHBondContact O-N 3.06Å
411	L	92.1	Very high	91.9	Very high	16 Å²	16	64.8 Å²	64.8	8%	0.084	34%	0.335	C	S	.	.	H	α-helix	trans	-71	-31.9	176.4	-71.3	176	0	0	0	113.3	L374 I407 R408 Q409 L414 H415 W448 P449 Y451	L374-L411 HydrophobicContact CD2-CD2 4.1Å; I407-L411 HydrophobicContact CG2-CD1 4.15Å; I407-L411 HydrophobicContact CG2-CG 4.47Å; I407-L411 WeakPolarHBondContact O-CB 3.5Å; I407-L411 VanDerWaalsContact O-CG 3.3Å; I407-L411 WeakPolarHBondContact O-CG 3.24Å; I407-L411 PolarHBondContact O-N 3.28Å; R408-L411 PolarHBondContact O-N 2.85Å; Q409-L411 VanDerWaalsContact C-N 3.3Å; Q409-L411 PolarHBondContact O-N 3.34Å; L411-L414 HydrophobicContact CD2-CD2 4.24Å; L411-H415 WeakPolarHBondContact O-CB 3.49Å; L411-H415 PolarHBondContact O-N 3Å; L411-W448 HydrophobicContact CD1-CE3 3.96Å; L411-W448 HydrophobicContact CD1-CZ3 4.13Å; L411-P449 HydrophobicContact CB-CB 4.35Å; L411-P449 HydrophobicContact CB-CG 3.99Å; L411-Y451 HydrophobicContact CB-CE2 4.3Å; L411-Y451 HydrophobicContact CD2-CD2 4.24Å; L411-Y451 HydrophobicContact CD2-CE2 4.19Å
412	N	92.7	Very high	92.1	Very high	72 Å²	72	67.7 Å²	67.7	39%	0.385	35%	0.347	S	S	.	.	H	α-helix	trans	-66.7	-47.3	172.6	-76.8	-70.7	0	0	0	110.1	R408 Q409 L414 H415 D416 P449	R408-N412 PolarHBondContact O-N 3.3Å; R408-N412 VanDerWaalsContact O-N 3.1Å; R408-N412 PolarHBondContact O-ND2 3.13Å; Q409-N412 WeakPolarHBondContact O-CB 3.48Å; Q409-N412 PolarHBondContact O-N 2.64Å; Q409-N412 VanDerWaalsContact O-N 3.08Å; N412-L414 VanDerWaalsContact C-N 3.27Å; N412-L414 PolarHBondContact O-N 3.32Å; N412-H415 WeakPolarHBondContact O-CB 3.37Å; N412-H415 PolarHBondContact O-N 3.07Å; N412-H415 VanDerWaalsContact O-N 3.07Å; N412-D416 PolarHBondContact O-N 2.8Å; N412-P449 HydrophobicContact CB-CG 4.28Å; N412-P449 VanDerWaalsContact OD1-CG 3.31Å; N412-P449 WeakPolarHBondContact OD1-CG 3.32Å
413	E	92.7	Very high	92.3	Very high	62 Å²	62	64.3 Å²	64.3	29%	0.29	32%	0.323	S	S	.	.	H	α-helix	trans	-60.9	-38.4	177.1	-174.1	-179.1	166.3	0	0	111.9	V403 Q409 A410 D416 K417	V403-E413 HydrophobicContact CG1-CG 4.22Å; Q409-E413 PolarHBondContact O-N 3.16Å; A410-E413 PolarHBondContact O-N 3.23Å; E413-D416 PolarHBondContact O-N 3.47Å; E413-K417 HydrophobicContact CG-CD 3.99Å; E413-K417 HydrophobicContact CG-CG 4.49Å; E413-K417 WeakPolarHBondContact O-CB 3.4Å; E413-K417 WeakPolarHBondContact O-CG 3.49Å; E413-K417 PolarHBondContact O-N 3.06Å; E413-K417 WeakPolarHBondContact OE1-CE 3.42Å; E413-K417 IonicContact OE1-NZ 3.87Å; E413-K417 PolarHBondContact OE1-NZ 2.88Å
414	L	92.4	Very high	92.6	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-62.9	-43	173.2	-172.9	66.8	0	0	0	111.6	L374 I401 A410 L411 N412 D416 K417 R418 L421 Y451	L374-L414 HydrophobicContact CD1-CD1 3.97Å; L374-L414 HydrophobicContact CD1-CD2 4.01Å; L374-L414 HydrophobicContact CD1-CG 4.46Å; L374-L414 HydrophobicContact CD2-CD2 3.86Å; L374-L414 HydrophobicContact CG-CD2 4.44Å; I401-L414 HydrophobicContact CD1-CD1 4.28Å; I401-L414 HydrophobicContact CG2-CD1 3.75Å; A410-L414 WeakPolarHBondContact O-CB 3.49Å; A410-L414 PolarHBondContact O-N 3.06Å; L411-L414 HydrophobicContact CD2-CD2 4.24Å; N412-L414 VanDerWaalsContact C-N 3.27Å; N412-L414 PolarHBondContact O-N 3.32Å; L414-D416 VanDerWaalsContact C-N 3.3Å; L414-D416 PolarHBondContact O-N 2.91Å; L414-K417 PolarHBondContact O-N 3.4Å; L414-R418 HydrophobicContact CD1-CB 4.12Å; L414-R418 HydrophobicContact CD1-CG 4.32Å; L414-R418 CarbonylContact O-C 3.44Å; L414-R418 WeakPolarHBondContact O-CA 3.47Å; L414-R418 WeakPolarHBondContact O-CB 3.5Å; L414-R418 PolarHBondContact O-N 3.28Å; L414-L421 HydrophobicContact CD1-CD1 3.71Å; L414-L421 HydrophobicContact CD2-CD1 4.15Å; L414-L421 HydrophobicContact CG-CD1 4.06Å; L414-Y451 HydrophobicContact CD2-CE1 4.33Å
415	H	92.3	Very high	93	Very high	71 Å²	71	58.8 Å²	58.8	33%	0.329	30%	0.298	S	S	.	.	H	α-helix	trans	-61.6	-41.4	178.6	-172.2	83.9	0	0	0	111.5	L411 N412 P419 Y451	L411-H415 WeakPolarHBondContact O-CB 3.49Å; L411-H415 PolarHBondContact O-N 3Å; N412-H415 WeakPolarHBondContact O-CB 3.37Å; N412-H415 PolarHBondContact O-N 3.07Å; N412-H415 VanDerWaalsContact O-N 3.07Å; H415-P419 WeakPolarHBondContact O-CA 3.23Å; H415-Y451 WeakPolarHBondContact CA-OH 3.39Å; H415-Y451 HydrophobicContact CB-CE2 4.37Å; H415-Y451 PolarHBondContact N-OH 3.43Å; H415-Y451 VanDerWaalsContact N-OH 3.08Å
416	D	91.7	Very high	93.5	Very high	128 Å²	128	58.8 Å²	58.8	68%	0.684	29%	0.286	S	S	*	.	H	α-helix	trans	-70.7	-42.2	179.3	-66	-20.3	0	0	0	112.3	N412 E413 L414	N412-D416 PolarHBondContact O-N 2.8Å; E413-D416 PolarHBondContact O-N 3.47Å; L414-D416 VanDerWaalsContact C-N 3.3Å; L414-D416 PolarHBondContact O-N 2.91Å
417	K	92.6	Very high	93.8	Very high	129 Å²	129	56.6 Å²	56.6	56%	0.561	27%	0.273	S	S	*	.	H	α-helix	trans	-82.4	-29.9	-176.3	-72.1	-177.8	175.9	177.4	0	113.8	E413 L414	E413-K417 HydrophobicContact CG-CD 3.99Å; E413-K417 HydrophobicContact CG-CG 4.49Å; E413-K417 WeakPolarHBondContact O-CB 3.4Å; E413-K417 WeakPolarHBondContact O-CG 3.49Å; E413-K417 PolarHBondContact O-N 3.06Å; E413-K417 WeakPolarHBondContact OE1-CE 3.42Å; E413-K417 IonicContact OE1-NZ 3.87Å; E413-K417 PolarHBondContact OE1-NZ 2.88Å; L414-K417 PolarHBondContact O-N 3.4Å
418	R	94.2	Very high	94	Very high	77 Å²	77	53 Å²	53	29%	0.291	26%	0.255	S	S	.	.			trans	-139.2	62.3	-170.9	-64.3	-68.5	-176.2	133.6	8.6	110.6	E399 I401 L414 E420 L421	E399-R418 IonicContact OE1-CZ 2.85Å; E399-R418 IonicContact OE1-NH1 3.88Å; E399-R418 PolarHBondContact OE1-NH1 3.05Å; E399-R418 IonicContact OE1-NH2 3.19Å; E399-R418 PolarHBondContact OE1-NH2 3.29Å; I401-R418 HydrophobicContact CD1-CG 4.33Å; L414-R418 HydrophobicContact CD1-CB 4.12Å; L414-R418 HydrophobicContact CD1-CG 4.32Å; L414-R418 CarbonylContact O-C 3.44Å; L414-R418 WeakPolarHBondContact O-CA 3.47Å; L414-R418 WeakPolarHBondContact O-CB 3.5Å; L414-R418 PolarHBondContact O-N 3.28Å; R418-E420 WeakPolarHBondContact CA-OE2 3.31Å; R418-E420 WeakPolarHBondContact CD-OE1 3.36Å; R418-E420 IonicContact NH1-OE1 2.62Å; R418-E420 PolarHBondContact O-N 3.43Å; R418-E420 VanDerWaalsContact O-N 3.11Å; R418-L421 HydrophobicContact CB-CD1 3.75Å; R418-L421 HydrophobicContact CB-CG 4.08Å; R418-L421 HydrophobicContact CG-CD1 4.4Å; R418-L421 WeakPolarHBondContact O-CB 3.27Å; R418-L421 PolarHBondContact O-N 3.19Å
419	P	93.8	Very high	94.2	Very high	71 Å²	71	47.1 Å²	47.1	46%	0.461	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-16.3	-175.6	28.2	-36.7	0	0	0	113.5	H415 L421 K422	H415-P419 WeakPolarHBondContact O-CA 3.23Å; P419-L421 VanDerWaalsContact C-N 3.27Å; P419-L421 PolarHBondContact O-N 3.19Å; P419-K422 VanDerWaalsContact O-CE 3.28Å; P419-K422 WeakPolarHBondContact O-CE 3.42Å; P419-K422 PolarHBondContact O-NZ 3.15Å
420	E	95.3	Very high	94.4	Very high	68 Å²	68	46.1 Å²	46.1	32%	0.318	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-27.2	173.2	74.3	-79.2	-169.3	0	0	112.8	Q338 R418 K422	Q338-E420 WeakPolarHBondContact CA-O 3.44Å; Q338-E420 WeakPolarHBondContact CG-O 3.39Å; R418-E420 WeakPolarHBondContact CA-OE2 3.31Å; R418-E420 WeakPolarHBondContact CD-OE1 3.36Å; R418-E420 IonicContact NH1-OE1 2.62Å; R418-E420 PolarHBondContact O-N 3.43Å; R418-E420 VanDerWaalsContact O-N 3.11Å; E420-K422 PolarHBondContact O-N 3.01Å
421	L	96.3	Very high	94.2	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.252	C	S	.	.			trans	-71.9	126	178.3	-66.4	176.6	0	0	0	110.3	E337 C340 K372 I401 L414 R418 P419 Y451	E337-L421 WeakPolarHBondContact O-CD2 3.25Å; C340-L421 HydrophobicContact CB-CD1 4.24Å; C340-L421 HydrophobicContact CB-CD2 3.98Å; K372-L421 HydrophobicContact CD-CD2 3.8Å; I401-L421 HydrophobicContact CD1-CD1 3.87Å; L414-L421 HydrophobicContact CD1-CD1 3.71Å; L414-L421 HydrophobicContact CD2-CD1 4.15Å; L414-L421 HydrophobicContact CG-CD1 4.06Å; R418-L421 HydrophobicContact CB-CD1 3.75Å; R418-L421 HydrophobicContact CB-CG 4.08Å; R418-L421 HydrophobicContact CG-CD1 4.4Å; R418-L421 WeakPolarHBondContact O-CB 3.27Å; R418-L421 PolarHBondContact O-N 3.19Å; P419-L421 VanDerWaalsContact C-N 3.27Å; P419-L421 PolarHBondContact O-N 3.19Å; L421-Y451 HydrophobicContact CB-CE1 4.14Å; L421-Y451 WeakPolarHBondContact O-CE1 3.39Å
422	K	97.4	Very high	94.1	Very high	78 Å²	78	50.3 Å²	50.3	34%	0.339	25%	0.253	S	S	.	.			trans	-124.1	-21.3	-178.1	-58.1	-56	179.7	-162.5	0	113.5	Y334 Q338 P419 E420 Y451 M452	Y334-K422 HydrophobicContact CD1-CB 3.7Å; Y334-K422 HydrophobicContact CE1-CB 3.76Å; Q338-K422 HydrophobicContact CB-CB 4.37Å; Q338-K422 HydrophobicContact CB-CG 4.37Å; Q338-K422 PolarHBondContact O-N 3.34Å; P419-K422 VanDerWaalsContact O-CE 3.28Å; P419-K422 WeakPolarHBondContact O-CE 3.42Å; P419-K422 PolarHBondContact O-NZ 3.15Å; E420-K422 PolarHBondContact O-N 3.01Å; K422-Y451 WeakPolarHBondContact O-CA 3.28Å; K422-M452 PolarHBondContact O-N 3.07Å
423	A	97.8	Very high	93.8	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	139.2	-179.6	0	0	0	0	0	111.9	Y334 Q338 V339 C340 M452 V454	Y334-A423 HydrophobicContact CD1-CB 4.39Å; Y334-A423 HydrophobicContact CD2-CB 3.85Å; Y334-A423 HydrophobicContact CE2-CB 4.18Å; Y334-A423 HydrophobicContact CG-CB 3.97Å; Q338-A423 PolarHBondContact O-N 2.79Å; V339-A423 WeakPolarHBondContact CA-O 3.5Å; V339-A423 HydrophobicContact CG2-CB 4.21Å; C340-A423 PolarHBondContact N-O 2.87Å; A423-M452 CarbonylContact C-O 3.49Å; A423-M452 WeakPolarHBondContact CA-O 3.21Å; A423-M452 HydrophobicContact CB-CB 3.99Å; A423-V454 HydrophobicContact CB-CG2 4.32Å
424	V	97.4	Very high	93.5	Very high	11 Å²	11	57.4 Å²	57.4	7%	0.067	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	118.1	178.7	-172.5	0	0	0	0	109	C340 M426 Y451 M452 V454	C340-V424 CarbonylContact O-C 3.58Å; C340-V424 WeakPolarHBondContact O-CA 3.36Å; V424-M426 HydrophobicContact CG1-CG 4.3Å; V424-Y451 HydrophobicContact CG2-CD1 3.88Å; V424-Y451 HydrophobicContact CG2-CE1 4.43Å; V424-Y451 HydrophobicContact CG2-CG 4.21Å; V424-M452 PolarHBondContact N-O 3.34Å; V424-V454 PolarHBondContact O-N 3.08Å
425	L	98.2	Very high	93.3	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.005	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	128.4	170.4	-68.4	85.6	0	0	0	109.3	I327 V339 C340 V341 G342 L352 Y356 V454 P456	I327-L425 HydrophobicContact CD1-CD2 4.42Å; I327-L425 HydrophobicContact CG1-CD2 3.92Å; I327-L425 HydrophobicContact CG2-CD2 4.29Å; V339-L425 HydrophobicContact CG1-CD1 3.06Å; C340-L425 WeakPolarHBondContact O-CD1 3.47Å; C340-L425 PolarHBondContact O-N 3.39Å; V341-L425 HydrophobicContact CB-CB 4.42Å; V341-L425 HydrophobicContact CG2-CB 4.31Å; G342-L425 PolarHBondContact N-O 3.36Å; L352-L425 HydrophobicContact CD1-CB 4.33Å; L352-L425 HydrophobicContact CD1-CD2 4.07Å; L352-L425 HydrophobicContact CD2-CB 3.96Å; L352-L425 HydrophobicContact CG-CB 4.39Å; Y356-L425 HydrophobicContact CD2-CD1 4.32Å; Y356-L425 HydrophobicContact CD2-CD2 3.73Å; Y356-L425 HydrophobicContact CE2-CD1 4.16Å; Y356-L425 HydrophobicContact CE2-CD2 4.33Å; Y356-L425 HydrophobicContact CG-CD2 3.96Å; L425-V454 CarbonylContact C-O 3.59Å; L425-V454 WeakPolarHBondContact CA-O 3.49Å; L425-V454 HydrophobicContact CG-CB 4.13Å; L425-V454 HydrophobicContact CG-CG1 4.23Å; L425-P456 HydrophobicContact CD2-CG 4.3Å
426	M	95.9	Very high	93.2	Very high	48 Å²	48	60.6 Å²	60.6	24%	0.236	30%	0.298	C	S	.	.			trans	-121	136	-178.4	-52.3	-164.4	-48.8	0	0	111	L352 V424 T428 R453 V454 N455	L352-M426 WeakPolarHBondContact CD2-O 3.23Å; V424-M426 HydrophobicContact CG1-CG 4.3Å; M426-T428 PolarHBondContact O-N 2.83Å; M426-R453 HydrophobicContact CE-CB 3.92Å; M426-R453 HydrophobicContact CE-CG 3.99Å; M426-R453 HydrophobicContact SD-CG 4.26Å; M426-V454 PolarHBondContact N-O 3Å; M426-N455 WeakPolarHBondContact CE-OD1 3.29Å
427	G	94.5	Very high	93.1	Very high	13 Å²	13	59.5 Å²	59.5	13%	0.134	30%	0.296	C	S	.	.			trans	-78.1	29.5	177.5	0	0	0	0	0	113.4	D348 L352	D348-G427 WeakPolarHBondContact CB-O 3.38Å; L352-G427 VanDerWaalsContact CD2-N 3.28Å
428	T	94.3	Very high	93.1	Very high	26 Å²	26	54.5 Å²	54.5	16%	0.16	28%	0.275	C	S	.	.			trans	-76.7	133.9	-174.4	-55.4	0	0	0	0	110.9	M426 D432 S435 L438 L458	M426-T428 PolarHBondContact O-N 2.83Å; T428-D432 HydrophobicContact CG2-CB 4.29Å; T428-S435 WeakPolarHBondContact CG2-OG 3.18Å; T428-L438 HydrophobicContact CG2-CD1 4.08Å; T428-L458 WeakPolarHBondContact O-CA 3.36Å
429	R	95	Very high	93.1	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.008	28%	0.283	C	S	.	.			trans	-104	156.7	170.9	-72	-178.1	-76.2	139.1	9.8	111.1	D348 S431 D432 S435 W460 Y462 E522	D348-R429 IonicContact OD1-CZ 3.93Å; D348-R429 VanDerWaalsContact OD1-CZ 3.25Å; D348-R429 IonicContact OD1-NE 3.07Å; D348-R429 PolarHBondContact OD1-NE 3.38Å; D348-R429 IonicContact OD1-NH2 2.9Å; D348-R429 PolarHBondContact OD1-NH2 3.36Å; D348-R429 VanDerWaalsContact OD1-NH2 3.15Å; R429-S431 PolarHBondContact O-N 3.46Å; R429-D432 PolarHBondContact N-OD2 3.39Å; R429-D432 VanDerWaalsContact O-CB 3.26Å; R429-D432 WeakPolarHBondContact O-CB 3.35Å; R429-D432 PolarHBondContact O-N 3.15Å; R429-S435 WeakPolarHBondContact O-CB 3.46Å; R429-W460 WeakPolarHBondContact CD-O 3.21Å; R429-W460 WeakPolarHBondContact CG-O 3.43Å; R429-Y462 VanDerWaalsContact NH1-CA 3.34Å; R429-E522 IonicContact CZ-OE1 3Å; R429-E522 IonicContact CZ-OE2 2.82Å; R429-E522 VanDerWaalsContact CZ-OE2 3.28Å; R429-E522 IonicContact NH1-OE2 3.72Å; R429-E522 PolarHBondContact NH1-OE2 2.98Å; R429-E522 IonicContact NH2-OE1 3.56Å; R429-E522 PolarHBondContact NH2-OE1 3.46Å; R429-E522 IonicContact NH2-OE2 3.4Å; R429-E522 PolarHBondContact NH2-OE2 3.21Å
430	R	93.9	Very high	93.2	Very high	95 Å²	95	53.6 Å²	53.6	36%	0.358	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-29.3	179.5	-169	176.3	-59.8	-72.9	-1.6	112.6	D432 H436 L438 L458 D459	R430-D432 PolarHBondContact O-N 2.73Å; R430-H436 PolarHBondContact NH1-O 2.89Å; R430-L438 PolarHBondContact NH1-O 2.96Å; R430-L458 HydrophobicContact CB-CD1 4.28Å; R430-L458 HydrophobicContact CB-CG 4.39Å; R430-L458 VanDerWaalsContact CB-O 3.28Å; R430-L458 WeakPolarHBondContact CB-O 3.17Å; R430-L458 PolarHBondContact N-O 2.85Å; R430-D459 IonicContact CZ-OD1 2.76Å; R430-D459 VanDerWaalsContact CZ-OD1 3.31Å; R430-D459 IonicContact NE-OD1 3.79Å; R430-D459 PolarHBondContact NE-OD1 3.04Å; R430-D459 IonicContact NH2-OD1 2.96Å; R430-D459 PolarHBondContact NH2-OD1 2.79Å; R430-D459 IonicContact NH2-OD2 2.84Å
431	S	88.9	Confident	93.3	Very high	84 Å²	84	52.3 Å²	52.3	59%	0.587	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-8.5	174.9	54.2	0	0	0	0	113.8	R429	R429-S431 PolarHBondContact O-N 3.46Å
432	D	88.9	Confident	93.3	Very high	20 Å²	20	53 Å²	53	11%	0.107	28%	0.278	C	S	.	.	S	Bend	trans	-72.4	149.5	174.8	-68	-36.3	0	0	0	111.4	T428 R429 R430 Y434 S435 R523	T428-D432 HydrophobicContact CG2-CB 4.29Å; R429-D432 PolarHBondContact N-OD2 3.39Å; R429-D432 VanDerWaalsContact O-CB 3.26Å; R429-D432 WeakPolarHBondContact O-CB 3.35Å; R429-D432 PolarHBondContact O-N 3.15Å; R430-D432 PolarHBondContact O-N 2.73Å; D432-Y434 PolarHBondContact O-N 3Å; D432-S435 VanDerWaalsContact O-CB 3.31Å; D432-S435 WeakPolarHBondContact O-CB 3.36Å; D432-S435 PolarHBondContact O-N 3.39Å; D432-S435 VanDerWaalsContact O-N 3.16Å; D432-S435 PolarHBondContact O-OG 3.07Å; D432-R523 IonicContact OD1-CZ 2.83Å; D432-R523 IonicContact OD1-NE 2.78Å; D432-R523 IonicContact OD1-NH2 3.8Å; D432-R523 PolarHBondContact OD1-NH2 2.8Å
433	P	85.6	Confident	93.2	Very high	65 Å²	65	53.5 Å²	53.5	42%	0.422	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.8	137.3	176.8	-28.1	35.1	0	0	0	112.1	S435	P433-S435 PolarHBondContact O-N 3.28Å; P433-S435 VanDerWaalsContact O-N 3.16Å; P433-S435 PolarHBondContact O-OG 3.36Å
434	Y	86.4	Confident	93	Very high	218 Å²	218	54.4 Å²	54.4	86%	0.855	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	12.1	177.3	-43	-74.5	0	0	0	115.9	D432	D432-Y434 PolarHBondContact O-N 3Å
435	S	89.9	Confident	92.7	Very high	10 Å²	10	57.5 Å²	57.5	7%	0.07	31%	0.31	C	S	.	.			trans	-105.2	-4.4	-171.6	-58	0	0	0	0	115.5	T428 R429 D432 P433 T437 L438	T428-S435 WeakPolarHBondContact CG2-OG 3.18Å; R429-S435 WeakPolarHBondContact O-CB 3.46Å; D432-S435 VanDerWaalsContact O-CB 3.31Å; D432-S435 WeakPolarHBondContact O-CB 3.36Å; D432-S435 PolarHBondContact O-N 3.39Å; D432-S435 VanDerWaalsContact O-N 3.16Å; D432-S435 PolarHBondContact O-OG 3.07Å; P433-S435 PolarHBondContact O-N 3.28Å; P433-S435 VanDerWaalsContact O-N 3.16Å; P433-S435 PolarHBondContact O-OG 3.36Å; S435-T437 VanDerWaalsContact C-N 3.31Å; S435-T437 PolarHBondContact O-N 3.04Å; S435-L438 WeakPolarHBondContact O-CB 3.31Å; S435-L438 WeakPolarHBondContact O-CG 3.42Å; S435-L438 PolarHBondContact O-N 3.43Å; S435-L438 VanDerWaalsContact O-N 3.09Å
436	H	88.6	Confident	92.4	Very high	129 Å²	129	63.9 Å²	63.9	60%	0.597	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-36.6	-171.9	63.4	-72.1	0	0	0	114.9	R430	R430-H436 PolarHBondContact NH1-O 2.89Å
437	T	90	Very high	92	Very high	104 Å²	104	64.2 Å²	64.2	64%	0.638	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-0.8	-178.9	48.3	0	0	0	0	114.2	S435	S435-T437 VanDerWaalsContact C-N 3.31Å; S435-T437 PolarHBondContact O-N 3.04Å
438	L	92.5	Very high	92	Very high	25 Å²	25	67.8 Å²	67.8	13%	0.131	38%	0.377	C	S	.	.			trans	-65.7	150.2	-177.9	-64.7	179.3	0	0	0	111.3	T428 R430 S435 L458	T428-L438 HydrophobicContact CG2-CD1 4.08Å; R430-L438 PolarHBondContact NH1-O 2.96Å; S435-L438 WeakPolarHBondContact O-CB 3.31Å; S435-L438 WeakPolarHBondContact O-CG 3.42Å; S435-L438 PolarHBondContact O-N 3.43Å; S435-L438 VanDerWaalsContact O-N 3.09Å; L438-L458 HydrophobicContact CB-CD1 4.09Å; L438-L458 HydrophobicContact CB-CD2 4.21Å; L438-L458 VanDerWaalsContact O-CD2 3.25Å; L438-L458 WeakPolarHBondContact O-CD2 3.34Å
439	T	94.8	Very high	91.9	Very high	73 Å²	73	67.2 Å²	67.2	45%	0.448	37%	0.374	S	S	.	.			trans	-106.3	162.6	168.8	53.2	0	0	0	0	109.8	M441 N455	T439-M441 PolarHBondContact O-N 3.36Å; T439-M441 VanDerWaalsContact O-N 3.14Å; T439-M441 PolarHBondContact OG1-O 3.25Å; T439-N455 PolarHBondContact O-ND2 3.4Å
440	P	96.1	Very high	91.8	Very high	56 Å²	56	75 Å²	75	36%	0.364	41%	0.411	S	S	.	.	S	Bend	trans	-55.7	-31.2	179.3	-28.4	36.2	0	0	0	114.1	T326 V454 N455	T326-P440 HydrophobicContact CG2-CB 3.79Å; P440-V454 CarbonylContact O-C 3.54Å; P440-V454 WeakPolarHBondContact O-CA 3.41Å; P440-N455 PolarHBondContact O-N 2.82Å
441	M	97.3	Very high	91.9	Very high	40 Å²	40	70.9 Å²	70.9	20%	0.197	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	127.1	170.5	-66.1	-180	71.4	0	0	109	T326 T329 A330 Y334 T439 M452 R453 V454	T326-M441 HydrophobicContact CG2-CG 4.45Å; T329-M441 HydrophobicContact CG2-SD 3.92Å; A330-M441 HydrophobicContact CB-CE 4.05Å; A330-M441 HydrophobicContact CB-SD 4.41Å; Y334-M441 HydrophobicContact CE2-CE 4.23Å; T439-M441 PolarHBondContact O-N 3.36Å; T439-M441 VanDerWaalsContact O-N 3.14Å; T439-M441 PolarHBondContact OG1-O 3.25Å; M441-M452 HydrophobicContact CB-SD 3.92Å; M441-M452 HydrophobicContact CE-CG 3.83Å; M441-M452 HydrophobicContact CE-SD 4.29Å; M441-R453 WeakPolarHBondContact CA-O 3.47Å; M441-V454 HydrophobicContact CE-CG2 4.3Å; M441-V454 HydrophobicContact CG-CG1 4.32Å; M441-V454 HydrophobicContact CG-CG2 4.42Å
442	C	95.5	Very high	92.3	Very high	16 Å²	16	68.5 Å²	68.5	11%	0.108	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	147.5	174.1	55.8	0	0	0	0	111	M452 R453	C442-M452 PolarHBondContact N-SD 3.18Å; C442-R453 PolarHBondContact N-O 3.27Å; C442-R453 WeakPolarHBondContact O-CA 3.48Å; C442-R453 VanDerWaalsContact O-CB 3.26Å; C442-R453 WeakPolarHBondContact O-CB 3.49Å; C442-R453 PolarHBondContact O-N 2.88Å
443	P	95.9	Very high	92.7	Very high	88 Å²	88	69.4 Å²	69.4	57%	0.571	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.4	161.4	171.5	28.8	-34.3	0	0	0	111	Y451 R453	P443-Y451 CarbonylContact C-O 3.5Å; P443-Y451 WeakPolarHBondContact CA-O 3.45Å; P443-R453 PolarHBondContact O-NE 3.22Å; P443-R453 PolarHBondContact O-NH2 3.11Å
444	T	93.9	Very high	93.3	Very high	19 Å²	19	66.3 Å²	66.3	12%	0.117	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-60	159	165.9	44.6	0	0	0	0	111.6	P449 Y451 R453	T444-P449 WeakPolarHBondContact CB-O 3.34Å; T444-P449 PolarHBondContact OG1-O 2.69Å; T444-Y451 PolarHBondContact N-O 3.47Å; T444-Y451 PolarHBondContact OG1-N 3.16Å; T444-R453 HydrophobicContact CG2-CG 4.04Å
445	D	91.1	Very high	93.9	Very high	75 Å²	75	56 Å²	56	40%	0.401	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-72.1	153	-176.2	-53.3	-45.2	0	0	0	111.2	G447 W448 R453	D445-G447 PolarHBondContact O-N 3.02Å; D445-W448 VanDerWaalsContact O-CB 3.31Å; D445-W448 WeakPolarHBondContact O-CB 3.46Å; D445-W448 PolarHBondContact O-N 2.86Å; D445-R453 IonicContact OD1-CZ 3.13Å; D445-R453 IonicContact OD1-NH1 2.7Å; D445-R453 PolarHBondContact OD1-NH1 3.16Å; D445-R453 IonicContact OD1-NH2 2.71Å; D445-R453 PolarHBondContact OD1-NH2 3.37Å; D445-R453 IonicContact OD2-CZ 2.65Å; D445-R453 IonicContact OD2-NH1 2.66Å; D445-R453 PolarHBondContact OD2-NH1 2.84Å; D445-R453 IonicContact OD2-NH2 3.72Å
446	P	91.4	Very high	94.3	Very high	135 Å²	135	55.9 Å²	55.9	88%	0.877	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	131.8	178.8	-28.2	35.6	0	0	0	112.9
447	G	88.6	Confident	94.7	Very high	56 Å²	56	49.7 Å²	49.7	58%	0.577	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.8	-2.7	-176.8	0	0	0	0	0	115	R408 D445	R408-G447 VanDerWaalsContact CZ-O 3.32Å; R408-G447 PolarHBondContact NE-O 3.28Å; R408-G447 PolarHBondContact NH2-O 3.04Å; D445-G447 PolarHBondContact O-N 3.02Å
448	W	93.2	Very high	95	Very high	88 Å²	88	44.9 Å²	44.9	33%	0.333	26%	0.257	S	S	.	.	S	Bend	trans	-90.6	158.2	165.2	-69.2	67.1	0	0	0	110.9	I407 R408 L411 D445	I407-W448 HydrophobicContact CB-CH2 4.31Å; I407-W448 HydrophobicContact CB-CZ3 4.15Å; I407-W448 HydrophobicContact CG2-CH2 4.4Å; I407-W448 HydrophobicContact CG2-CZ3 3.88Å; R408-W448 HydrophobicContact CB-CD2 4.31Å; R408-W448 HydrophobicContact CB-CE3 3.88Å; R408-W448 HydrophobicContact CB-CH2 3.84Å; R408-W448 HydrophobicContact CB-CZ2 4.25Å; R408-W448 HydrophobicContact CB-CZ3 3.64Å; R408-W448 HydrophobicContact CG-CD2 4.05Å; R408-W448 HydrophobicContact CG-CE3 3.95Å; R408-W448 HydrophobicContact CG-CZ3 4.24Å; L411-W448 HydrophobicContact CD1-CE3 3.96Å; L411-W448 HydrophobicContact CD1-CZ3 4.13Å; D445-W448 VanDerWaalsContact O-CB 3.31Å; D445-W448 WeakPolarHBondContact O-CB 3.46Å; D445-W448 PolarHBondContact O-N 2.86Å
449	P	92.1	Very high	95.1	Very high	13 Å²	13	48.2 Å²	48.2	8%	0.084	28%	0.275	C	S	.	.			trans	-51.8	139.2	168	-28	36.9	0	0	0	111.6	L411 N412 T444 Y451	L411-P449 HydrophobicContact CB-CB 4.35Å; L411-P449 HydrophobicContact CB-CG 3.99Å; N412-P449 HydrophobicContact CB-CG 4.28Å; N412-P449 VanDerWaalsContact OD1-CG 3.31Å; N412-P449 WeakPolarHBondContact OD1-CG 3.32Å; T444-P449 WeakPolarHBondContact CB-O 3.34Å; T444-P449 PolarHBondContact OG1-O 2.69Å; P449-Y451 HydrophobicContact CB-CD2 3.89Å; P449-Y451 HydrophobicContact CB-CE2 3.7Å; P449-Y451 PolarHBondContact O-N 3.48Å; P449-Y451 VanDerWaalsContact O-N 3.13Å
450	E	93.9	Very high	95.3	Very high	167 Å²	167	45.2 Å²	45.2	78%	0.78	26%	0.255	S	S	*	.			trans	-72.8	105.3	-176.3	-67.2	-171.7	164.2	0	0	111.3
451	Y	96.2	Very high	95.3	Very high	8 Å²	8	44.5 Å²	44.5	3%	0.031	25%	0.25	C	S	.	.			trans	-136.1	147.8	173.1	-73	-82.5	0	0	0	110.2	L411 L414 H415 L421 K422 V424 P443 T444 P449	L411-Y451 HydrophobicContact CB-CE2 4.3Å; L411-Y451 HydrophobicContact CD2-CD2 4.24Å; L411-Y451 HydrophobicContact CD2-CE2 4.19Å; L414-Y451 HydrophobicContact CD2-CE1 4.33Å; H415-Y451 WeakPolarHBondContact CA-OH 3.39Å; H415-Y451 HydrophobicContact CB-CE2 4.37Å; H415-Y451 PolarHBondContact N-OH 3.43Å; H415-Y451 VanDerWaalsContact N-OH 3.08Å; L421-Y451 HydrophobicContact CB-CE1 4.14Å; L421-Y451 WeakPolarHBondContact O-CE1 3.39Å; K422-Y451 WeakPolarHBondContact O-CA 3.28Å; V424-Y451 HydrophobicContact CG2-CD1 3.88Å; V424-Y451 HydrophobicContact CG2-CE1 4.43Å; V424-Y451 HydrophobicContact CG2-CG 4.21Å; P443-Y451 CarbonylContact C-O 3.5Å; P443-Y451 WeakPolarHBondContact CA-O 3.45Å; T444-Y451 PolarHBondContact N-O 3.47Å; T444-Y451 PolarHBondContact OG1-N 3.16Å; P449-Y451 HydrophobicContact CB-CD2 3.89Å; P449-Y451 HydrophobicContact CB-CE2 3.7Å; P449-Y451 PolarHBondContact O-N 3.48Å; P449-Y451 VanDerWaalsContact O-N 3.13Å
452	M	97.6	Very high	95.3	Very high	33 Å²	33	42.6 Å²	42.6	16%	0.163	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	116.5	164.1	-177.1	58.7	66.8	0	0	109.6	Y334 K422 A423 V424 M441 C442 V454	Y334-M452 HydrophobicContact CE2-CB 3.9Å; Y334-M452 HydrophobicContact CE2-CG 3.91Å; Y334-M452 WeakPolarHBondContact OH-CB 3.43Å; K422-M452 PolarHBondContact O-N 3.07Å; A423-M452 CarbonylContact C-O 3.49Å; A423-M452 WeakPolarHBondContact CA-O 3.21Å; A423-M452 HydrophobicContact CB-CB 3.99Å; V424-M452 PolarHBondContact N-O 3.34Å; M441-M452 HydrophobicContact CB-SD 3.92Å; M441-M452 HydrophobicContact CE-CG 3.83Å; M441-M452 HydrophobicContact CE-SD 4.29Å; C442-M452 PolarHBondContact N-SD 3.18Å; M452-V454 HydrophobicContact CG-CG2 4.01Å
453	R	96.8	Very high	95.4	Very high	40 Å²	40	45.2 Å²	45.2	15%	0.151	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	117.9	169.5	-62.3	-175.8	-71.1	-153.9	-4.9	108.6	M426 M441 C442 P443 T444 D445	M426-R453 HydrophobicContact CE-CB 3.92Å; M426-R453 HydrophobicContact CE-CG 3.99Å; M426-R453 HydrophobicContact SD-CG 4.26Å; M441-R453 WeakPolarHBondContact CA-O 3.47Å; C442-R453 PolarHBondContact N-O 3.27Å; C442-R453 WeakPolarHBondContact O-CA 3.48Å; C442-R453 VanDerWaalsContact O-CB 3.26Å; C442-R453 WeakPolarHBondContact O-CB 3.49Å; C442-R453 PolarHBondContact O-N 2.88Å; P443-R453 PolarHBondContact O-NE 3.22Å; P443-R453 PolarHBondContact O-NH2 3.11Å; T444-R453 HydrophobicContact CG2-CG 4.04Å; D445-R453 IonicContact OD1-CZ 3.13Å; D445-R453 IonicContact OD1-NH1 2.7Å; D445-R453 PolarHBondContact OD1-NH1 3.16Å; D445-R453 IonicContact OD1-NH2 2.71Å; D445-R453 PolarHBondContact OD1-NH2 3.37Å; D445-R453 IonicContact OD2-CZ 2.65Å; D445-R453 IonicContact OD2-NH1 2.66Å; D445-R453 PolarHBondContact OD2-NH1 2.84Å; D445-R453 IonicContact OD2-NH2 3.72Å
454	V	98.2	Very high	95.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	118.6	177.2	-174.5	0	0	0	0	108	T326 A330 A423 V424 L425 M426 P440 M441 M452 P456	T326-V454 HydrophobicContact CG2-CG1 4Å; A330-V454 HydrophobicContact CB-CG1 3.88Å; A330-V454 HydrophobicContact CB-CG2 3.88Å; A423-V454 HydrophobicContact CB-CG2 4.32Å; V424-V454 PolarHBondContact O-N 3.08Å; L425-V454 CarbonylContact C-O 3.59Å; L425-V454 WeakPolarHBondContact CA-O 3.49Å; L425-V454 HydrophobicContact CG-CB 4.13Å; L425-V454 HydrophobicContact CG-CG1 4.23Å; M426-V454 PolarHBondContact N-O 3Å; P440-V454 CarbonylContact O-C 3.54Å; P440-V454 WeakPolarHBondContact O-CA 3.41Å; M441-V454 HydrophobicContact CE-CG2 4.3Å; M441-V454 HydrophobicContact CG-CG1 4.32Å; M441-V454 HydrophobicContact CG-CG2 4.42Å; M452-V454 HydrophobicContact CG-CG2 4.01Å; V454-P456 HydrophobicContact CG1-CG 4.13Å; V454-P456 VanDerWaalsContact O-CD 3.3Å; V454-P456 WeakPolarHBondContact O-CD 3.09Å
455	N	97.7	Very high	95.7	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	22%	0.224	C	C	.	.			trans	-119.4	74.7	-173.3	-54.9	-66.9	0	0	0	111.7	M426 T439 P440 L457 L458	M426-N455 WeakPolarHBondContact CE-OD1 3.29Å; T439-N455 PolarHBondContact O-ND2 3.4Å; P440-N455 PolarHBondContact O-N 2.82Å; N455-L457 PolarHBondContact O-N 2.82Å; N455-L458 HydrophobicContact CB-CB 4.27Å; N455-L458 PolarHBondContact O-N 3.25Å
456	P	98.3	Very high	96.1	Very high	7 Å²	7	37.9 Å²	37.9	5%	0.045	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-21.8	-176	-23.9	37.2	0	0	0	114.7	A323 T326 I327 L352 L425 V454	A323-P456 WeakPolarHBondContact CA-O 3.19Å; A323-P456 HydrophobicContact CB-CB 3.99Å; A323-P456 VanDerWaalsContact CB-O 3.26Å; A323-P456 WeakPolarHBondContact CB-O 3.22Å; T326-P456 HydrophobicContact CG2-CB 4.45Å; T326-P456 HydrophobicContact CG2-CG 4.27Å; I327-P456 HydrophobicContact CD1-CB 4.14Å; I327-P456 HydrophobicContact CD1-CG 4.06Å; I327-P456 HydrophobicContact CG1-CB 3.85Å; I327-P456 HydrophobicContact CG1-CG 3.45Å; I327-P456 VanDerWaalsContact CG1-CG 3.45Å; L352-P456 HydrophobicContact CD1-CB 4.09Å; L352-P456 HydrophobicContact CD1-CG 3.64Å; L425-P456 HydrophobicContact CD2-CG 4.3Å; V454-P456 HydrophobicContact CG1-CG 4.13Å; V454-P456 VanDerWaalsContact O-CD 3.3Å; V454-P456 WeakPolarHBondContact O-CD 3.09Å
457	L	98	Very high	96.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	9.2	-175.3	-56.8	-174.2	0	0	0	113.3	A323 D348 A351 L352 L355 N455 D459 W460 I465	A323-L457 HydrophobicContact CB-CD2 4.45Å; D348-L457 VanDerWaalsContact O-CD1 3.27Å; D348-L457 WeakPolarHBondContact O-CD1 3.3Å; A351-L457 HydrophobicContact CB-CD1 4.36Å; L352-L457 HydrophobicContact CB-CD1 3.86Å; L352-L457 HydrophobicContact CB-CG 4.43Å; L355-L457 HydrophobicContact CD1-CD2 3.66Å; N455-L457 PolarHBondContact O-N 2.82Å; L457-D459 VanDerWaalsContact C-N 3.27Å; L457-D459 PolarHBondContact O-N 3.29Å; L457-D459 VanDerWaalsContact O-N 3.11Å; L457-W460 HydrophobicContact CB-CB 4.49Å; L457-W460 HydrophobicContact CB-CG 4.34Å; L457-W460 HydrophobicContact CD2-CD2 3.79Å; L457-W460 HydrophobicContact CD2-CE3 4.13Å; L457-W460 HydrophobicContact CD2-CG 4.22Å; L457-W460 HydrophobicContact CD2-CH2 4.17Å; L457-W460 HydrophobicContact CD2-CZ2 3.87Å; L457-W460 HydrophobicContact CD2-CZ3 4.29Å; L457-W460 VanDerWaalsContact O-CB 3.3Å; L457-W460 WeakPolarHBondContact O-CB 3.46Å; L457-W460 PolarHBondContact O-N 2.8Å; L457-I465 HydrophobicContact CD1-CD1 3.86Å
458	L	96.1	Very high	96.8	Very high	3 Å²	3	31.4 Å²	31.4	2%	0.016	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-39.5	-166.7	-170.5	64.5	0	0	0	113.6	T428 R430 L438 N455	T428-L458 WeakPolarHBondContact O-CA 3.36Å; R430-L458 HydrophobicContact CB-CD1 4.28Å; R430-L458 HydrophobicContact CB-CG 4.39Å; R430-L458 VanDerWaalsContact CB-O 3.28Å; R430-L458 WeakPolarHBondContact CB-O 3.17Å; R430-L458 PolarHBondContact N-O 2.85Å; L438-L458 HydrophobicContact CB-CD1 4.09Å; L438-L458 HydrophobicContact CB-CD2 4.21Å; L438-L458 VanDerWaalsContact O-CD2 3.25Å; L438-L458 WeakPolarHBondContact O-CD2 3.34Å; N455-L458 HydrophobicContact CB-CB 4.27Å; N455-L458 PolarHBondContact O-N 3.25Å
459	D	95.6	Very high	97	Very high	94 Å²	94	27.2 Å²	27.2	50%	0.503	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	18.2	-178.7	-56.6	-50.4	0	0	0	113.5	K319 R430 L457	K319-D459 PolarHBondContact NZ-O 2.86Å; R430-D459 IonicContact CZ-OD1 2.76Å; R430-D459 VanDerWaalsContact CZ-OD1 3.31Å; R430-D459 IonicContact NE-OD1 3.79Å; R430-D459 PolarHBondContact NE-OD1 3.04Å; R430-D459 IonicContact NH2-OD1 2.96Å; R430-D459 PolarHBondContact NH2-OD1 2.79Å; R430-D459 IonicContact NH2-OD2 2.84Å; L457-D459 VanDerWaalsContact C-N 3.27Å; L457-D459 PolarHBondContact O-N 3.29Å; L457-D459 VanDerWaalsContact O-N 3.11Å
460	W	97.9	Very high	97.2	Very high	10 Å²	10	29.9 Å²	29.9	4%	0.038	15%	0.148	C	C	.	.			trans	-85.1	140.5	171.6	-70.9	43	0	0	0	110.3	K319 V320 A323 L355 R429 L457 D464 I465 F468	K319-W460 PolarHBondContact O-NE1 2.95Å; V320-W460 HydrophobicContact CG2-CH2 3.84Å; V320-W460 HydrophobicContact CG2-CZ2 3.88Å; A323-W460 HydrophobicContact CB-CZ2 4.16Å; L355-W460 HydrophobicContact CD1-CH2 4.17Å; L355-W460 HydrophobicContact CD1-CZ2 4.13Å; R429-W460 WeakPolarHBondContact CD-O 3.21Å; R429-W460 WeakPolarHBondContact CG-O 3.43Å; L457-W460 HydrophobicContact CB-CB 4.49Å; L457-W460 HydrophobicContact CB-CG 4.34Å; L457-W460 HydrophobicContact CD2-CD2 3.79Å; L457-W460 HydrophobicContact CD2-CE3 4.13Å; L457-W460 HydrophobicContact CD2-CG 4.22Å; L457-W460 HydrophobicContact CD2-CH2 4.17Å; L457-W460 HydrophobicContact CD2-CZ2 3.87Å; L457-W460 HydrophobicContact CD2-CZ3 4.29Å; L457-W460 VanDerWaalsContact O-CB 3.3Å; L457-W460 WeakPolarHBondContact O-CB 3.46Å; L457-W460 PolarHBondContact O-N 2.8Å; W460-D464 HydrophobicContact CB-CB 4.15Å; W460-D464 HydrophobicContact CD2-CB 4.19Å; W460-D464 HydrophobicContact CE3-CB 3.85Å; W460-D464 HydrophobicContact CG-CB 4.35Å; W460-I465 HydrophobicContact CB-CD1 4.3Å; W460-I465 HydrophobicContact CD2-CD1 4.36Å; W460-I465 HydrophobicContact CE3-CD1 3.59Å; W460-I465 HydrophobicContact CE3-CG1 4.23Å; W460-I465 HydrophobicContact CZ3-CD1 4.22Å; W460-F468 HydrophobicContact CH2-CB 3.88Å; W460-F468 HydrophobicContact CH2-CD1 4.31Å; W460-F468 AromaticContact CH2-CD2 3.66Å; W460-F468 HydrophobicContact CH2-CD2 3.66Å; W460-F468 HydrophobicContact CH2-CE2 4.22Å; W460-F468 AromaticContact CH2-CG 3.69Å; W460-F468 HydrophobicContact CH2-CG 3.69Å; W460-F468 HydrophobicContact CZ3-CB 3.48Å; W460-F468 VanDerWaalsContact CZ3-CB 3.48Å; W460-F468 HydrophobicContact CZ3-CD1 4.25Å; W460-F468 HydrophobicContact CZ3-CD2 4.16Å; W460-F468 AromaticContact CZ3-CG 3.72Å; W460-F468 HydrophobicContact CZ3-CG 3.72Å
461	T	96.8	Very high	97.2	Very high	42 Å²	42	25.6 Å²	25.6	26%	0.258	13%	0.133	S	C	.	.			trans	-88	174.3	173.1	66.4	0	0	0	0	110.6	H463 D464 I465 E519	T461-H463 PolarHBondContact O-N 3.19Å; T461-H463 PolarHBondContact OG1-N 2.96Å; T461-D464 VanDerWaalsContact CB-OD2 3.3Å; T461-D464 WeakPolarHBondContact CB-OD2 3.12Å; T461-D464 WeakPolarHBondContact CG2-OD2 3.31Å; T461-D464 PolarHBondContact N-OD2 2.91Å; T461-D464 PolarHBondContact O-N 2.94Å; T461-D464 PolarHBondContact OG1-N 3.36Å; T461-D464 VanDerWaalsContact OG1-N 3.1Å; T461-D464 PolarHBondContact OG1-OD2 2.78Å; T461-I465 WeakPolarHBondContact O-CG1 3.42Å; T461-I465 PolarHBondContact O-N 2.89Å; T461-E519 VanDerWaalsContact CB-OE2 3.32Å; T461-E519 WeakPolarHBondContact CB-OE2 3.47Å
462	Y	96.8	Very high	97.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-58.6	-42.9	172.4	176.8	-98.9	0	0	0	111.5	K347 R429 I465 W466 A513 L516 E519 E522	K347-Y462 HydrophobicContact CD-CE2 4.39Å; R429-Y462 VanDerWaalsContact NH1-CA 3.34Å; Y462-I465 PolarHBondContact O-N 3.26Å; Y462-W466 AromaticContact CD1-CD1 3.76Å; Y462-W466 AromaticContact CE1-CD1 3.32Å; Y462-W466 AromaticContact CE1-NE1 3.4Å; Y462-W466 AromaticContact CE2-CD1 3.93Å; Y462-W466 AromaticContact CE2-NE1 3.33Å; Y462-W466 VanDerWaalsContact CE2-NE1 3.33Å; Y462-W466 AromaticContact CZ-CD1 3.47Å; Y462-W466 VanDerWaalsContact CZ-CD1 3.47Å; Y462-W466 AromaticContact CZ-NE1 2.98Å; Y462-W466 PolarHBondContact O-N 3.37Å; Y462-W466 PolarHBondContact OH-NE1 3.33Å; Y462-A513 WeakPolarHBondContact OH-CB 3.48Å; Y462-A513 PolarHBondContact OH-O 3.17Å; Y462-L516 HydrophobicContact CE1-CB 3.77Å; Y462-L516 HydrophobicContact CE1-CD2 3.97Å; Y462-L516 HydrophobicContact CE1-CG 4.41Å; Y462-L516 HydrophobicContact CE2-CD2 4.43Å; Y462-E519 HydrophobicContact CD1-CB 4.38Å; Y462-E519 HydrophobicContact CG-CB 4.22Å; Y462-E519 PolarHBondContact N-OE2 2.9Å; Y462-E519 VanDerWaalsContact N-OE2 3.17Å; Y462-E522 HydrophobicContact CD2-CB 4.09Å; Y462-E522 VanDerWaalsContact CD2-CD 3.42Å; Y462-E522 HydrophobicContact CD2-CG 3.71Å; Y462-E522 VanDerWaalsContact CD2-OE2 3.29Å; Y462-E522 WeakPolarHBondContact CD2-OE2 3.13Å; Y462-E522 HydrophobicContact CE2-CB 4.23Å; Y462-E522 HydrophobicContact CE2-CG 3.7Å
463	H	97.4	Very high	97	Very high	71 Å²	71	26.9 Å²	26.9	33%	0.329	14%	0.139	S	C	.	.	H	α-helix	trans	-68.8	-33.4	-178.6	-70.1	-65.6	0	0	0	112.9	T461 W466 S467 L516 E517 E519	T461-H463 PolarHBondContact O-N 3.19Å; T461-H463 PolarHBondContact OG1-N 2.96Å; H463-W466 PolarHBondContact O-N 3.18Å; H463-S467 WeakPolarHBondContact O-CB 3.33Å; H463-S467 PolarHBondContact O-N 3.32Å; H463-S467 PolarHBondContact O-OG 3.06Å; H463-L516 PolarHBondContact CE1-O 2.86Å; H463-E517 PolarHBondContact NE2-O 2.65Å; H463-E517 VanDerWaalsContact NE2-O 3.09Å; H463-E519 IonicContact CD2-OE2 3.2Å
464	D	98.2	Very high	97	Very high	22 Å²	22	25 Å²	25	12%	0.118	13%	0.132	C	C	.	.	H	α-helix	trans	-65.2	-40.9	175.8	-64	-55	0	0	0	111.9	L316 K319 W460 T461 S467 F468	L316-D464 HydrophobicContact CD1-CB 4.29Å; K319-D464 HydrophobicContact CD-CB 4.33Å; K319-D464 WeakPolarHBondContact CD-OD2 3.26Å; K319-D464 WeakPolarHBondContact CE-OD2 3.45Å; K319-D464 IonicContact NZ-OD1 3.31Å; K319-D464 IonicContact NZ-OD2 2.75Å; K319-D464 PolarHBondContact NZ-OD2 2.97Å; W460-D464 HydrophobicContact CB-CB 4.15Å; W460-D464 HydrophobicContact CD2-CB 4.19Å; W460-D464 HydrophobicContact CE3-CB 3.85Å; W460-D464 HydrophobicContact CG-CB 4.35Å; T461-D464 VanDerWaalsContact CB-OD2 3.3Å; T461-D464 WeakPolarHBondContact CB-OD2 3.12Å; T461-D464 WeakPolarHBondContact CG2-OD2 3.31Å; T461-D464 PolarHBondContact N-OD2 2.91Å; T461-D464 PolarHBondContact O-N 2.94Å; T461-D464 PolarHBondContact OG1-N 3.36Å; T461-D464 VanDerWaalsContact OG1-N 3.1Å; T461-D464 PolarHBondContact OG1-OD2 2.78Å; D464-S467 PolarHBondContact O-N 3.02Å; D464-F468 WeakPolarHBondContact O-CB 3.3Å; D464-F468 PolarHBondContact O-N 2.86Å
465	I	98.3	Very high	96.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-59.9	-49.7	177.6	-62.3	-71.3	0	0	0	109.9	K347 A351 L457 W460 T461 Y462 F468 L469	K347-I465 HydrophobicContact CB-CG2 4.11Å; K347-I465 HydrophobicContact CD-CG2 4.21Å; K347-I465 HydrophobicContact CG-CG2 3.93Å; A351-I465 HydrophobicContact CB-CD1 4.3Å; A351-I465 HydrophobicContact CB-CG2 4.48Å; L457-I465 HydrophobicContact CD1-CD1 3.86Å; W460-I465 HydrophobicContact CB-CD1 4.3Å; W460-I465 HydrophobicContact CD2-CD1 4.36Å; W460-I465 HydrophobicContact CE3-CD1 3.59Å; W460-I465 HydrophobicContact CE3-CG1 4.23Å; W460-I465 HydrophobicContact CZ3-CD1 4.22Å; T461-I465 WeakPolarHBondContact O-CG1 3.42Å; T461-I465 PolarHBondContact O-N 2.89Å; Y462-I465 PolarHBondContact O-N 3.26Å; I465-F468 PolarHBondContact O-N 2.8Å; I465-L469 HydrophobicContact CG2-CD1 4.02Å; I465-L469 VanDerWaalsContact O-CG 3.31Å; I465-L469 WeakPolarHBondContact O-CG 3.49Å; I465-L469 PolarHBondContact O-N 3.09Å
466	W	98.1	Very high	96.7	Very high	6 Å²	6	26.6 Å²	26.6	2%	0.023	14%	0.142	C	C	.	.	H	α-helix	trans	-66.2	-41.8	178.1	-74.1	119.5	0	0	0	112.7	K347 Y462 H463 F468 L469 R470 Y476 Y480 A513	K347-W466 HydrophobicContact CB-CH2 4.07Å; K347-W466 HydrophobicContact CB-CZ2 4.19Å; K347-W466 HydrophobicContact CD-CH2 4.16Å; K347-W466 HydrophobicContact CD-CZ2 3.4Å; K347-W466 VanDerWaalsContact CD-CZ2 3.4Å; K347-W466 HydrophobicContact CG-CZ2 4.38Å; Y462-W466 AromaticContact CD1-CD1 3.76Å; Y462-W466 AromaticContact CE1-CD1 3.32Å; Y462-W466 AromaticContact CE1-NE1 3.4Å; Y462-W466 AromaticContact CE2-CD1 3.93Å; Y462-W466 AromaticContact CE2-NE1 3.33Å; Y462-W466 VanDerWaalsContact CE2-NE1 3.33Å; Y462-W466 AromaticContact CZ-CD1 3.47Å; Y462-W466 VanDerWaalsContact CZ-CD1 3.47Å; Y462-W466 AromaticContact CZ-NE1 2.98Å; Y462-W466 PolarHBondContact O-N 3.37Å; Y462-W466 PolarHBondContact OH-NE1 3.33Å; H463-W466 PolarHBondContact O-N 3.18Å; W466-F468 VanDerWaalsContact C-N 3.28Å; W466-F468 PolarHBondContact O-N 3.22Å; W466-L469 HydrophobicContact CE3-CD1 4.05Å; W466-L469 HydrophobicContact CZ3-CD1 3.98Å; W466-L469 PolarHBondContact O-N 3.38Å; W466-R470 VanDerWaalsContact O-CB 3.22Å; W466-R470 WeakPolarHBondContact O-CB 3.49Å; W466-R470 WeakPolarHBondContact O-CG 3.1Å; W466-R470 PolarHBondContact O-N 2.94Å; W466-Y476 AromaticContact CH2-CD2 3.98Å; W466-Y476 HydrophobicContact CH2-CD2 3.98Å; W466-Y476 HydrophobicContact CH2-CE2 4.13Å; W466-Y476 HydrophobicContact CH2-CG 4.32Å; W466-Y476 AromaticContact CZ3-CD1 3.88Å; W466-Y476 HydrophobicContact CZ3-CD1 3.88Å; W466-Y476 AromaticContact CZ3-CD2 3.8Å; W466-Y476 HydrophobicContact CZ3-CD2 3.8Å; W466-Y476 AromaticContact CZ3-CE1 3.9Å; W466-Y476 HydrophobicContact CZ3-CE1 3.9Å; W466-Y476 AromaticContact CZ3-CE2 3.82Å; W466-Y476 HydrophobicContact CZ3-CE2 3.82Å; W466-Y476 AromaticContact CZ3-CG 3.83Å; W466-Y476 HydrophobicContact CZ3-CG 3.83Å; W466-Y476 AromaticContact CZ3-CZ 3.88Å; W466-Y480 VanDerWaalsContact CH2-CB 3.47Å; W466-Y480 AromaticContact CH2-CD1 3.76Å; W466-Y480 HydrophobicContact CH2-CD1 3.76Å; W466-Y480 AromaticContact CH2-CD2 3.96Å; W466-Y480 HydrophobicContact CH2-CD2 3.96Å; W466-Y480 AromaticContact CH2-CG 3.47Å; W466-Y480 HydrophobicContact CH2-CG 3.47Å; W466-Y480 VanDerWaalsContact CH2-CG 3.47Å; W466-Y480 AromaticContact CZ2-CD1 3.56Å; W466-Y480 HydrophobicContact CZ2-CD1 3.56Å; W466-Y480 HydrophobicContact CZ2-CE1 4.22Å; W466-Y480 AromaticContact CZ2-CG 3.8Å; W466-Y480 HydrophobicContact CZ2-CG 3.8Å; W466-A513 HydrophobicContact CH2-CB 4.22Å; W466-A513 HydrophobicContact CZ2-CB 3.49Å; W466-A513 VanDerWaalsContact CZ2-CB 3.49Å
467	S	97.9	Very high	96.6	Very high	55 Å²	55	26.2 Å²	26.2	39%	0.385	14%	0.14	S	C	.	.	H	α-helix	trans	-59.5	-42.4	177.4	-61.8	0	0	0	0	110.9	H463 D464 T471	H463-S467 WeakPolarHBondContact O-CB 3.33Å; H463-S467 PolarHBondContact O-N 3.32Å; H463-S467 PolarHBondContact O-OG 3.06Å; D464-S467 PolarHBondContact O-N 3.02Å; S467-T471 WeakPolarHBondContact O-CB 3.43Å; S467-T471 PolarHBondContact O-N 2.72Å; S467-T471 PolarHBondContact O-OG1 3.42Å
468	F	98.5	Very high	96.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-63	-54.9	174.9	177.5	-98.8	0	0	0	112.7	V306 L309 L316 V320 A351 H354 L355 W460 D464 I465 W466 R470 T471 L472	V306-F468 HydrophobicContact CG2-CE2 4.45Å; V306-F468 HydrophobicContact CG2-CZ 4.25Å; L309-F468 HydrophobicContact CD2-CD2 3.99Å; L309-F468 HydrophobicContact CD2-CE2 4.37Å; L316-F468 HydrophobicContact CD1-CB 4.35Å; V320-F468 HydrophobicContact CG1-CE2 4.49Å; V320-F468 HydrophobicContact CG2-CD2 3.67Å; V320-F468 HydrophobicContact CG2-CE2 3.9Å; A351-F468 HydrophobicContact CB-CD1 3.75Å; A351-F468 HydrophobicContact CB-CE1 3.97Å; H354-F468 HydrophobicContact CB-CE1 4.25Å; H354-F468 AromaticContact CD2-CZ 3.88Å; L355-F468 HydrophobicContact CD2-CE2 3.66Å; L355-F468 HydrophobicContact CD2-CZ 3.57Å; L355-F468 HydrophobicContact CG-CE1 4.34Å; L355-F468 HydrophobicContact CG-CE2 4.23Å; L355-F468 HydrophobicContact CG-CZ 3.7Å; W460-F468 HydrophobicContact CH2-CB 3.88Å; W460-F468 HydrophobicContact CH2-CD1 4.31Å; W460-F468 AromaticContact CH2-CD2 3.66Å; W460-F468 HydrophobicContact CH2-CD2 3.66Å; W460-F468 HydrophobicContact CH2-CE2 4.22Å; W460-F468 AromaticContact CH2-CG 3.69Å; W460-F468 HydrophobicContact CH2-CG 3.69Å; W460-F468 HydrophobicContact CZ3-CB 3.48Å; W460-F468 VanDerWaalsContact CZ3-CB 3.48Å; W460-F468 HydrophobicContact CZ3-CD1 4.25Å; W460-F468 HydrophobicContact CZ3-CD2 4.16Å; W460-F468 AromaticContact CZ3-CG 3.72Å; W460-F468 HydrophobicContact CZ3-CG 3.72Å; D464-F468 WeakPolarHBondContact O-CB 3.3Å; D464-F468 PolarHBondContact O-N 2.86Å; I465-F468 PolarHBondContact O-N 2.8Å; W466-F468 VanDerWaalsContact C-N 3.28Å; W466-F468 PolarHBondContact O-N 3.22Å; F468-R470 VanDerWaalsContact C-N 3.31Å; F468-R470 PolarHBondContact O-N 3.17Å; F468-T471 PolarHBondContact O-N 3.45Å; F468-L472 HydrophobicContact CD2-CD1 3.9Å; F468-L472 HydrophobicContact CE1-CD1 4.31Å; F468-L472 HydrophobicContact CE2-CD1 3.35Å; F468-L472 HydrophobicContact CE2-CG 4.46Å; F468-L472 HydrophobicContact CZ-CD1 3.6Å; F468-L472 PolarHBondContact O-N 3.24Å
469	L	97.7	Very high	96.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-58.7	-44.2	-178.6	-67.2	174.3	0	0	0	111.1	Y260 K347 T350 A351 I465 W466 H473 V474	Y260-L469 PolarHBondContact OH-O 3.49Å; K347-L469 HydrophobicContact CB-CD1 3.93Å; T350-L469 HydrophobicContact CG2-CD2 4.15Å; A351-L469 HydrophobicContact CB-CD2 4.04Å; A351-L469 HydrophobicContact CB-CG 4.43Å; I465-L469 HydrophobicContact CG2-CD1 4.02Å; I465-L469 VanDerWaalsContact O-CG 3.31Å; I465-L469 WeakPolarHBondContact O-CG 3.49Å; I465-L469 PolarHBondContact O-N 3.09Å; W466-L469 HydrophobicContact CE3-CD1 4.05Å; W466-L469 HydrophobicContact CZ3-CD1 3.98Å; W466-L469 PolarHBondContact O-N 3.38Å; L469-H473 CarbonylContact O-C 3.58Å; L469-H473 WeakPolarHBondContact O-CA 3.4Å; L469-H473 PolarHBondContact O-N 2.61Å; L469-V474 HydrophobicContact CB-CB 4.45Å; L469-V474 HydrophobicContact CD2-CB 3.66Å; L469-V474 HydrophobicContact CD2-CG1 3.72Å; L469-V474 HydrophobicContact CD2-CG2 4.3Å; L469-V474 PolarHBondContact O-N 2.87Å
470	R	95.1	Very high	96.5	Very high	69 Å²	69	23 Å²	23	26%	0.26	12%	0.122	S	C	.	.	H	α-helix	trans	-71.6	-41.7	-179.2	-65.8	-71	-59.3	175	1.1	112.3	N259 Y260 W466 F468 L472 H473	N259-R470 PolarHBondContact O-NH1 3.46Å; Y260-R470 VanDerWaalsContact CE1-NH1 3.29Å; W466-R470 VanDerWaalsContact O-CB 3.22Å; W466-R470 WeakPolarHBondContact O-CB 3.49Å; W466-R470 WeakPolarHBondContact O-CG 3.1Å; W466-R470 PolarHBondContact O-N 2.94Å; F468-R470 VanDerWaalsContact C-N 3.31Å; F468-R470 PolarHBondContact O-N 3.17Å; R470-L472 VanDerWaalsContact C-N 3.32Å; R470-L472 PolarHBondContact O-N 2.79Å; R470-H473 PolarHBondContact O-N 2.65Å
471	T	95.1	Very high	96.3	Very high	77 Å²	77	24 Å²	24	47%	0.472	13%	0.129	S	C	.	.	H	α-helix	trans	-61.1	-42.9	178.4	-62.6	0	0	0	0	111.2	L309 S467 F468 H473	L309-T471 HydrophobicContact CD1-CG2 4.46Å; L309-T471 HydrophobicContact CD2-CG2 4.43Å; S467-T471 WeakPolarHBondContact O-CB 3.43Å; S467-T471 PolarHBondContact O-N 2.72Å; S467-T471 PolarHBondContact O-OG1 3.42Å; F468-T471 PolarHBondContact O-N 3.45Å; T471-H473 PolarHBondContact O-ND1 3.1Å
472	L	95.3	Very high	96.2	Very high	12 Å²	12	25.9 Å²	25.9	6%	0.063	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	5.4	-177.7	-61.8	-174.2	0	0	0	113.8	E305 V306 L309 F468 R470 V474	E305-L472 HydrophobicContact CB-CD2 3.92Å; V306-L472 HydrophobicContact CG2-CD1 3.56Å; L309-L472 HydrophobicContact CD2-CD1 4.16Å; L309-L472 HydrophobicContact CD2-CD2 4.18Å; L309-L472 HydrophobicContact CD2-CG 4.11Å; F468-L472 HydrophobicContact CD2-CD1 3.9Å; F468-L472 HydrophobicContact CE1-CD1 4.31Å; F468-L472 HydrophobicContact CE2-CD1 3.35Å; F468-L472 HydrophobicContact CE2-CG 4.46Å; F468-L472 HydrophobicContact CZ-CD1 3.6Å; F468-L472 PolarHBondContact O-N 3.24Å; R470-L472 VanDerWaalsContact C-N 3.32Å; R470-L472 PolarHBondContact O-N 2.79Å; L472-V474 HydrophobicContact CB-CG2 3.75Å; L472-V474 PolarHBondContact O-N 2.63Å
473	H	93.9	Very high	96.1	Very high	55 Å²	55	25.9 Å²	25.9	26%	0.255	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	35.9	-178	-57.8	68.9	0	0	0	113.4	Y260 I295 P298 L469 R470 T471 P475	Y260-H473 AromaticContact CD1-CD2 3.89Å; Y260-H473 HydrophobicContact CE1-CB 4.36Å; Y260-H473 HydrophobicContact CE2-CB 4.35Å; Y260-H473 WeakPolarHBondContact CE2-O 3.38Å; Y260-H473 VanDerWaalsContact CZ-CA 3.48Å; I295-H473 HydrophobicContact CB-CB 4.12Å; I295-H473 HydrophobicContact CD1-CB 3.95Å; I295-H473 WeakPolarHBondContact CD1-ND1 3.32Å; I295-H473 HydrophobicContact CG1-CB 4.19Å; P298-H473 WeakPolarHBondContact CG-O 3.41Å; L469-H473 CarbonylContact O-C 3.58Å; L469-H473 WeakPolarHBondContact O-CA 3.4Å; L469-H473 PolarHBondContact O-N 2.61Å; R470-H473 PolarHBondContact O-N 2.65Å; T471-H473 PolarHBondContact O-ND1 3.1Å; H473-P475 WeakPolarHBondContact O-CD 3.34Å
474	V	95.5	Very high	96.1	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.123	C	C	.	.			trans	-72.6	120.3	-179.4	-174.7	0	0	0	0	109.3	Y260 T350 H354 L469 L472 Y476	Y260-V474 PolarHBondContact OH-N 3.39Å; Y260-V474 PolarHBondContact OH-O 2.93Å; T350-V474 HydrophobicContact CG2-CG1 3.91Å; H354-V474 HydrophobicContact CB-CG1 4.3Å; H354-V474 HydrophobicContact CB-CG2 4.48Å; L469-V474 HydrophobicContact CB-CB 4.45Å; L469-V474 HydrophobicContact CD2-CB 3.66Å; L469-V474 HydrophobicContact CD2-CG1 3.72Å; L469-V474 HydrophobicContact CD2-CG2 4.3Å; L469-V474 PolarHBondContact O-N 2.87Å; L472-V474 HydrophobicContact CB-CG2 3.75Å; L472-V474 PolarHBondContact O-N 2.63Å; V474-Y476 WeakPolarHBondContact O-CD1 3.36Å; V474-Y476 PolarHBondContact O-N 3.21Å
475	P	94.3	Very high	96	Very high	33 Å²	33	23 Å²	23	21%	0.214	12%	0.118	C	C	.	.			trans	-58.9	141.8	178.3	-22.4	34	0	0	0	111.3	P298 T350 F388 H473	P298-P475 HydrophobicContact CG-CG 4.1Å; T350-P475 WeakPolarHBondContact CG2-O 3.41Å; F388-P475 HydrophobicContact CE2-CB 4.29Å; F388-P475 WeakPolarHBondContact CE2-O 3.17Å; F388-P475 WeakPolarHBondContact CZ-O 3.47Å; H473-P475 WeakPolarHBondContact O-CD 3.34Å
476	Y	95.9	Very high	95.7	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.008	12%	0.119	C	C	.	.			trans	-138.2	162.6	178.2	57.3	-98.9	0	0	0	110.8	N259 Y260 F388 W466 V474 I478 Y480 D481 Y514	N259-Y476 HydrophobicContact CB-CD1 4.28Å; N259-Y476 HydrophobicContact CB-CE1 3.73Å; N259-Y476 HydrophobicContact CB-CE2 4.11Å; N259-Y476 WeakPolarHBondContact ND2-CD2 3.28Å; N259-Y476 VanDerWaalsContact ND2-CE2 3.28Å; N259-Y476 WeakPolarHBondContact ND2-CE2 3.35Å; N259-Y476 PolarHBondContact ND2-O 3.49Å; N259-Y476 PolarHBondContact OD1-N 3.09Å; N259-Y476 PolarHBondContact OD1-O 2.78Å; N259-Y476 VanDerWaalsContact OD1-O 3.04Å; Y260-Y476 HydrophobicContact CE2-CE1 4.47Å; F388-Y476 VanDerWaalsContact CE2-C 3.41Å; F388-Y476 VanDerWaalsContact CE2-CA 3.44Å; W466-Y476 AromaticContact CH2-CD2 3.98Å; W466-Y476 HydrophobicContact CH2-CD2 3.98Å; W466-Y476 HydrophobicContact CH2-CE2 4.13Å; W466-Y476 HydrophobicContact CH2-CG 4.32Å; W466-Y476 AromaticContact CZ3-CD1 3.88Å; W466-Y476 HydrophobicContact CZ3-CD1 3.88Å; W466-Y476 AromaticContact CZ3-CD2 3.8Å; W466-Y476 HydrophobicContact CZ3-CD2 3.8Å; W466-Y476 AromaticContact CZ3-CE1 3.9Å; W466-Y476 HydrophobicContact CZ3-CE1 3.9Å; W466-Y476 AromaticContact CZ3-CE2 3.82Å; W466-Y476 HydrophobicContact CZ3-CE2 3.82Å; W466-Y476 AromaticContact CZ3-CG 3.83Å; W466-Y476 HydrophobicContact CZ3-CG 3.83Å; W466-Y476 AromaticContact CZ3-CZ 3.88Å; V474-Y476 WeakPolarHBondContact O-CD1 3.36Å; V474-Y476 PolarHBondContact O-N 3.21Å; Y476-I478 PolarHBondContact O-N 2.95Å; Y476-Y480 HydrophobicContact CD2-CD2 4.2Å; Y476-D481 VanDerWaalsContact CE2-OD1 3.29Å; Y476-D481 WeakPolarHBondContact CE2-OD1 3.5Å; Y476-D481 PolarHBondContact OH-OD1 3.42Å; Y476-Y514 WeakPolarHBondContact OH-CE1 3.41Å
477	C	95.8	Very high	95.4	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.122	C	C	.	.			trans	-56.3	128.5	-177.4	-174.5	0	0	0	0	112.2	M385 F388 L479 Y480 L487	M385-C477 HydrophobicContact CE-CB 3.51Å; M385-C477 HydrophobicContact SD-CB 4.09Å; F388-C477 HydrophobicContact CB-CB 4.44Å; F388-C477 HydrophobicContact CD1-CB 4.31Å; F388-C477 HydrophobicContact CG-CB 4.23Å; C477-L479 PolarHBondContact O-N 2.66Å; C477-Y480 HydrophobicContact CB-CD2 3.92Å; C477-Y480 HydrophobicContact CB-CE2 3.98Å; C477-Y480 VanDerWaalsContact O-CD2 3.25Å; C477-Y480 WeakPolarHBondContact O-CD2 3.26Å; C477-Y480 PolarHBondContact O-N 3.2Å; C477-L487 HydrophobicContact CB-CD1 4.28Å
478	I	95.1	Very high	94.8	Very high	21 Å²	21	21.7 Å²	21.7	11%	0.108	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-18.6	-176.8	-162.2	64.4	0	0	0	113.8	E384 Y476 Y480 D481 K482	E384-I478 HydrophobicContact CB-CG2 4.01Å; E384-I478 HydrophobicContact CG-CG2 3.98Å; Y476-I478 PolarHBondContact O-N 2.95Å; I478-Y480 PolarHBondContact O-N 3.11Å; I478-D481 HydrophobicContact CD1-CB 4.2Å; I478-D481 PolarHBondContact O-N 3.35Å; I478-K482 PolarHBondContact O-N 3.47Å
479	L	95.4	Very high	94.3	Very high	3 Å²	3	22.4 Å²	22.4	2%	0.016	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-31.3	175	-66.8	176.1	0	0	0	112.2	F382 E384 C477 D481 K482 G483 Y484 L487	F382-L479 HydrophobicContact CB-CD1 3.61Å; F382-L479 HydrophobicContact CD1-CD1 3.61Å; F382-L479 HydrophobicContact CD1-CD2 4.27Å; F382-L479 HydrophobicContact CD2-CD1 4Å; F382-L479 HydrophobicContact CE1-CD1 4.25Å; F382-L479 HydrophobicContact CG-CD1 3.46Å; F382-L479 VanDerWaalsContact CG-CD1 3.46Å; E384-L479 HydrophobicContact CB-CD1 4.39Å; E384-L479 HydrophobicContact CB-CD2 4.24Å; E384-L479 HydrophobicContact CB-CG 4.03Å; E384-L479 HydrophobicContact CG-CD2 4.32Å; C477-L479 PolarHBondContact O-N 2.66Å; L479-D481 VanDerWaalsContact C-N 3.29Å; L479-D481 PolarHBondContact O-N 2.88Å; L479-K482 HydrophobicContact CD2-CD 4.27Å; L479-K482 CarbonylContact O-C 3.57Å; L479-K482 WeakPolarHBondContact O-CA 3.32Å; L479-K482 WeakPolarHBondContact O-CB 3.45Å; L479-K482 PolarHBondContact O-N 2.89Å; L479-G483 PolarHBondContact O-N 2.98Å; L479-Y484 HydrophobicContact CB-CD2 4.05Å; L479-Y484 HydrophobicContact CB-CG 4.34Å; L479-Y484 HydrophobicContact CD2-CD2 4.35Å; L479-Y484 HydrophobicContact CD2-CE2 4.2Å; L479-Y484 WeakPolarHBondContact O-CD2 3.26Å; L479-Y484 PolarHBondContact O-N 2.83Å; L479-L487 HydrophobicContact CB-CD1 4.27Å; L479-L487 HydrophobicContact CB-CD2 4.03Å; L479-L487 HydrophobicContact CD1-CD1 4.2Å; L479-L487 HydrophobicContact CD1-CD2 3.85Å
480	Y	97	Very high	93.9	Very high	4 Å²	4	26.2 Å²	26.2	2%	0.016	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-35.9	175.6	-67.7	-72.5	0	0	0	111.9	K347 W466 Y476 C477 I478 K482 G483 Y484 L487 P512 A513	K347-Y480 HydrophobicContact CB-CE1 4.36Å; K347-Y480 HydrophobicContact CB-CE2 4.05Å; K347-Y480 HydrophobicContact CD-CD1 4.49Å; K347-Y480 HydrophobicContact CD-CE1 3.98Å; K347-Y480 HydrophobicContact CG-CE1 4.25Å; K347-Y480 PolarHBondContact N-OH 2.7Å; W466-Y480 VanDerWaalsContact CH2-CB 3.47Å; W466-Y480 AromaticContact CH2-CD1 3.76Å; W466-Y480 HydrophobicContact CH2-CD1 3.76Å; W466-Y480 AromaticContact CH2-CD2 3.96Å; W466-Y480 HydrophobicContact CH2-CD2 3.96Å; W466-Y480 AromaticContact CH2-CG 3.47Å; W466-Y480 HydrophobicContact CH2-CG 3.47Å; W466-Y480 VanDerWaalsContact CH2-CG 3.47Å; W466-Y480 AromaticContact CZ2-CD1 3.56Å; W466-Y480 HydrophobicContact CZ2-CD1 3.56Å; W466-Y480 HydrophobicContact CZ2-CE1 4.22Å; W466-Y480 AromaticContact CZ2-CG 3.8Å; W466-Y480 HydrophobicContact CZ2-CG 3.8Å; Y476-Y480 HydrophobicContact CD2-CD2 4.2Å; C477-Y480 HydrophobicContact CB-CD2 3.92Å; C477-Y480 HydrophobicContact CB-CE2 3.98Å; C477-Y480 VanDerWaalsContact O-CD2 3.25Å; C477-Y480 WeakPolarHBondContact O-CD2 3.26Å; C477-Y480 PolarHBondContact O-N 3.2Å; I478-Y480 PolarHBondContact O-N 3.11Å; Y480-K482 PolarHBondContact O-N 3.45Å; Y480-G483 PolarHBondContact O-N 3.45Å; Y480-Y484 WeakPolarHBondContact CA-O 3.48Å; Y480-Y484 WeakPolarHBondContact CD1-O 3.28Å; Y480-L487 HydrophobicContact CD2-CD1 4.24Å; Y480-L487 HydrophobicContact CE1-CD1 4.26Å; Y480-L487 HydrophobicContact CE1-CG 4.14Å; Y480-L487 HydrophobicContact CE2-CD1 3.53Å; Y480-L487 HydrophobicContact CE2-CG 4.29Å; Y480-P512 CarbonylContact O-C 3.4Å; Y480-P512 WeakPolarHBondContact O-CA 3.43Å; Y480-A513 HydrophobicContact CD1-CB 3.9Å; Y480-A513 HydrophobicContact CG-CB 4.37Å; Y480-A513 WeakPolarHBondContact O-CB 3.33Å; Y480-A513 PolarHBondContact O-N 2.71Å
481	D	94.6	Very high	93.6	Very high	33 Å²	33	28 Å²	28	18%	0.176	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-17	173.9	-63.1	-33.8	0	0	0	112.5	N259 Y476 I478 L479 G483	N259-D481 PolarHBondContact ND2-OD2 3.25Å; Y476-D481 VanDerWaalsContact CE2-OD1 3.29Å; Y476-D481 WeakPolarHBondContact CE2-OD1 3.5Å; Y476-D481 PolarHBondContact OH-OD1 3.42Å; I478-D481 HydrophobicContact CD1-CB 4.2Å; I478-D481 PolarHBondContact O-N 3.35Å; L479-D481 VanDerWaalsContact C-N 3.29Å; L479-D481 PolarHBondContact O-N 2.88Å; D481-G483 VanDerWaalsContact C-N 3.33Å
482	K	93.5	Very high	93.3	Very high	80 Å²	80	26.9 Å²	26.9	35%	0.348	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	8.9	173.6	-57.6	-179	-169.4	176.9	0	113.4	E384 I478 L479 Y480 Y484 R495	E384-K482 IonicContact OE1-NZ 3.47Å; E384-K482 PolarHBondContact OE1-NZ 2.83Å; I478-K482 PolarHBondContact O-N 3.47Å; L479-K482 HydrophobicContact CD2-CD 4.27Å; L479-K482 CarbonylContact O-C 3.57Å; L479-K482 WeakPolarHBondContact O-CA 3.32Å; L479-K482 WeakPolarHBondContact O-CB 3.45Å; L479-K482 PolarHBondContact O-N 2.89Å; Y480-K482 PolarHBondContact O-N 3.45Å; K482-Y484 HydrophobicContact CB-CD2 4.36Å; K482-R495 VanDerWaalsContact O-CD 3.25Å; K482-R495 WeakPolarHBondContact O-CD 3.41Å
483	G	95.5	Very high	93.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.8	12.4	174	0	0	0	0	0	116	L479 Y480 D481 N496 K511	L479-G483 PolarHBondContact O-N 2.98Å; Y480-G483 PolarHBondContact O-N 3.45Å; D481-G483 VanDerWaalsContact C-N 3.33Å; G483-N496 PolarHBondContact O-N 3.35Å; G483-K511 VanDerWaalsContact CA-O 3.29Å; G483-K511 WeakPolarHBondContact CA-O 3.3Å
484	Y	96.4	Very high	93.1	Very high	33 Å²	33	29.7 Å²	29.7	13%	0.129	15%	0.148	C	C	.	.			trans	-79.4	130.3	167.5	-69.2	-99.1	0	0	0	109.2	F382 L479 Y480 K482 L487 Y494 R495 A513	F382-Y484 HydrophobicContact CE1-CE1 4.17Å; F382-Y484 AromaticContact CZ-CE1 3.92Å; F382-Y484 HydrophobicContact CZ-CE1 3.92Å; L479-Y484 HydrophobicContact CB-CD2 4.05Å; L479-Y484 HydrophobicContact CB-CG 4.34Å; L479-Y484 HydrophobicContact CD2-CD2 4.35Å; L479-Y484 HydrophobicContact CD2-CE2 4.2Å; L479-Y484 WeakPolarHBondContact O-CD2 3.26Å; L479-Y484 PolarHBondContact O-N 2.83Å; Y480-Y484 WeakPolarHBondContact CA-O 3.48Å; Y480-Y484 WeakPolarHBondContact CD1-O 3.28Å; K482-Y484 HydrophobicContact CB-CD2 4.36Å; Y484-L487 HydrophobicContact CD1-CD2 3.96Å; Y484-L487 HydrophobicContact CG-CD2 3.96Å; Y484-Y494 WeakPolarHBondContact CD1-O 3.3Å; Y484-Y494 VanDerWaalsContact CE1-C 3.49Å; Y484-R495 HydrophobicContact CD2-CG 3.84Å; Y484-R495 HydrophobicContact CE1-CG 4.37Å; Y484-R495 HydrophobicContact CE2-CG 3.49Å; Y484-R495 VanDerWaalsContact CE2-CG 3.49Å; Y484-R495 HydrophobicContact CG-CG 4.42Å; Y484-A513 VanDerWaalsContact O-CB 3.31Å; Y484-A513 WeakPolarHBondContact O-CB 3.39Å
485	T	96.1	Very high	93.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	-105.2	-19.9	179.2	50.8	0	0	0	0	112.5	N496 L499 A513 L516 E522 S525	T485-N496 HydrophobicContact CG2-CB 3.69Å; T485-N496 PolarHBondContact OG1-ND2 2.9Å; T485-L499 HydrophobicContact CG2-CD1 3.48Å; T485-L499 VanDerWaalsContact CG2-CD1 3.48Å; T485-A513 HydrophobicContact CG2-CB 4.15Å; T485-L516 HydrophobicContact CG2-CB 4.41Å; T485-L516 HydrophobicContact CG2-CD2 4.01Å; T485-E522 PolarHBondContact OG1-O 3.14Å; T485-S525 PolarHBondContact OG1-OG 3.05Å
486	S	93.1	Very high	93.2	Very high	4 Å²	4	33.3 Å²	33.3	3%	0.028	16%	0.158	C	C	.	.	S	Bend	trans	-143.7	128.6	176.4	-160.4	0	0	0	0	110.5	R526	S486-R526 VanDerWaalsContact OG-CZ 3.26Å; S486-R526 PolarHBondContact OG-NE 3.02Å; S486-R526 PolarHBondContact OG-NH2 3.27Å
487	L	91.1	Very high	93.1	Very high	18 Å²	18	41.3 Å²	41.3	9%	0.094	19%	0.193	C	C	.	.			trans	-108.2	120.3	-176.3	-62.7	177.8	0	0	0	111.7	M385 C477 L479 Y480 Y484 R526	M385-L487 HydrophobicContact SD-CD1 3.9Å; C477-L487 HydrophobicContact CB-CD1 4.28Å; L479-L487 HydrophobicContact CB-CD1 4.27Å; L479-L487 HydrophobicContact CB-CD2 4.03Å; L479-L487 HydrophobicContact CD1-CD1 4.2Å; L479-L487 HydrophobicContact CD1-CD2 3.85Å; Y480-L487 HydrophobicContact CD2-CD1 4.24Å; Y480-L487 HydrophobicContact CE1-CD1 4.26Å; Y480-L487 HydrophobicContact CE1-CG 4.14Å; Y480-L487 HydrophobicContact CE2-CD1 3.53Å; Y480-L487 HydrophobicContact CE2-CG 4.29Å; Y484-L487 HydrophobicContact CD1-CD2 3.96Å; Y484-L487 HydrophobicContact CG-CD2 3.96Å; L487-R526 VanDerWaalsContact C-NH2 3.3Å; L487-R526 PolarHBondContact O-NH2 3.38Å
488	G	86	Confident	93.1	Very high	11 Å²	11	43.8 Å²	43.8	11%	0.113	21%	0.213	C	C	.	.			trans	-113.2	-124.5	167.7	0	0	0	0	0	110.7	S493	G488-S493 VanDerWaalsContact CA-OG 3.31Å; G488-S493 WeakPolarHBondContact CA-OG 3.42Å; G488-S493 PolarHBondContact N-OG 2.7Å
489	S	87.1	Confident	93.2	Very high	15 Å²	15	43 Å²	43	11%	0.105	21%	0.209	C	C	.	.			trans	-94.6	168.8	168.7	65.5	0	0	0	0	111	V379 D491 N492 S493	V379-S489 WeakPolarHBondContact O-CB 3.47Å; S489-D491 PolarHBondContact O-N 3.44Å; S489-D491 PolarHBondContact OG-N 3.11Å; S489-N492 PolarHBondContact N-OD1 3.48Å; S489-N492 PolarHBondContact O-N 3.38Å; S489-N492 PolarHBondContact O-OD1 3.31Å; S489-N492 VanDerWaalsContact O-OD1 3.07Å; S489-N492 PolarHBondContact OG-OD1 3.13Å; S489-S493 VanDerWaalsContact O-CB 3.25Å; S489-S493 WeakPolarHBondContact O-CB 3.22Å; S489-S493 PolarHBondContact O-N 2.81Å; S489-S493 VanDerWaalsContact O-N 3.17Å; S489-S493 PolarHBondContact O-OG 3.12Å
490	M	90.4	Very high	93.2	Very high	80 Å²	80	46.8 Å²	46.8	39%	0.394	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-26.8	173.9	-68.7	-167.5	-66.5	0	0	112.9	S380 P381 F382	S380-M490 PolarHBondContact O-N 3.06Å; S380-M490 WeakPolarHBondContact OG-CE 3.43Å; P381-M490 WeakPolarHBondContact O-CE 3.37Å; F382-M490 HydrophobicContact CB-CG 4.38Å; F382-M490 HydrophobicContact CD1-CG 3.67Å; F382-M490 HydrophobicContact CD1-SD 4.28Å; F382-M490 HydrophobicContact CD2-CG 3.9Å; F382-M490 HydrophobicContact CE1-CB 4.49Å; F382-M490 HydrophobicContact CE1-CG 3.81Å; F382-M490 HydrophobicContact CE2-CG 4.03Å; F382-M490 HydrophobicContact CG-CG 3.71Å; F382-M490 HydrophobicContact CZ-CB 4.35Å; F382-M490 HydrophobicContact CZ-CG 3.98Å
491	D	88.5	Confident	93	Very high	106 Å²	106	49.1 Å²	49.1	57%	0.567	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-20.6	-175.9	-53.5	-47.4	0	0	0	113.3	S380 S489 Y494	S380-D491 WeakPolarHBondContact CB-OD2 3.13Å; S489-D491 PolarHBondContact O-N 3.44Å; S489-D491 PolarHBondContact OG-N 3.11Å; D491-Y494 PolarHBondContact O-OH 3.19Å
492	N	88.9	Confident	92.9	Very high	55 Å²	55	52 Å²	52	29%	0.294	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.2	3.9	-173.7	69.7	14.1	0	0	0	114.5	S489 R526 A527	S489-N492 PolarHBondContact N-OD1 3.48Å; S489-N492 PolarHBondContact O-N 3.38Å; S489-N492 PolarHBondContact O-OD1 3.31Å; S489-N492 VanDerWaalsContact O-OD1 3.07Å; S489-N492 PolarHBondContact OG-OD1 3.13Å; N492-R526 VanDerWaalsContact O-CA 3.26Å; N492-R526 WeakPolarHBondContact O-CA 3.32Å; N492-A527 PolarHBondContact O-N 3.41Å
493	S	92.2	Very high	92.4	Very high	4 Å²	4	50 Å²	50	3%	0.028	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-117	127.7	-177.1	-56.4	0	0	0	0	111.6	G488 S489	G488-S493 VanDerWaalsContact CA-OG 3.31Å; G488-S493 WeakPolarHBondContact CA-OG 3.42Å; G488-S493 PolarHBondContact N-OG 2.7Å; S489-S493 VanDerWaalsContact O-CB 3.25Å; S489-S493 WeakPolarHBondContact O-CB 3.22Å; S489-S493 PolarHBondContact O-N 2.81Å; S489-S493 VanDerWaalsContact O-N 3.17Å; S489-S493 PolarHBondContact O-OG 3.12Å
494	Y	93.3	Very high	91.8	Very high	122 Å²	122	59.8 Å²	59.8	48%	0.478	30%	0.299	S	S	.	.			trans	-123.9	167.8	180	-52.9	-87.9	0	0	0	110.2	Y484 D491 S525 A527	Y484-Y494 WeakPolarHBondContact CD1-O 3.3Å; Y484-Y494 VanDerWaalsContact CE1-C 3.49Å; D491-Y494 PolarHBondContact O-OH 3.19Å; Y494-S525 PolarHBondContact N-O 2.96Å; Y494-S525 WeakPolarHBondContact O-CB 3.42Å; Y494-S525 PolarHBondContact O-OG 3.39Å; Y494-A527 HydrophobicContact CE2-CB 3.66Å
495	R	95.4	Very high	91.1	Very high	105 Å²	105	68.8 Å²	68.8	40%	0.396	33%	0.332	S	S	.	.			trans	-72.9	142.9	169.2	-62.6	176.3	-167.9	179	1.6	109.5	K482 Y484 K497 Y510	K482-R495 VanDerWaalsContact O-CD 3.25Å; K482-R495 WeakPolarHBondContact O-CD 3.41Å; Y484-R495 HydrophobicContact CD2-CG 3.84Å; Y484-R495 HydrophobicContact CE1-CG 4.37Å; Y484-R495 HydrophobicContact CE2-CG 3.49Å; Y484-R495 VanDerWaalsContact CE2-CG 3.49Å; Y484-R495 HydrophobicContact CG-CG 4.42Å; R495-K497 PolarHBondContact O-N 3.13Å; R495-Y510 HydrophobicContact CB-CD1 3.69Å; R495-Y510 HydrophobicContact CB-CD2 4.32Å; R495-Y510 HydrophobicContact CB-CE1 3.53Å; R495-Y510 HydrophobicContact CB-CE2 4.18Å; R495-Y510 HydrophobicContact CB-CG 4.08Å; R495-Y510 VanDerWaalsContact CD-CD2 3.43Å; R495-Y510 HydrophobicContact CG-CD2 4.49Å; R495-Y510 HydrophobicContact CG-CG 4.49Å
496	N	95.8	Very high	90.7	Very high	4 Å²	4	71.3 Å²	71.3	2%	0.021	36%	0.358	C	S	.	.			trans	-73.6	123.6	-179.5	-165.6	-34.1	0	0	0	110.6	G483 T485 A498 L499 Y510 E521	G483-N496 PolarHBondContact O-N 3.35Å; T485-N496 HydrophobicContact CG2-CB 3.69Å; T485-N496 PolarHBondContact OG1-ND2 2.9Å; N496-A498 PolarHBondContact O-N 3.37Å; N496-A498 VanDerWaalsContact OD1-CB 3.27Å; N496-A498 WeakPolarHBondContact OD1-CB 3.4Å; N496-A498 PolarHBondContact OD1-N 3.38Å; N496-L499 HydrophobicContact CB-CD1 4.14Å; N496-L499 HydrophobicContact CB-CG 4.38Å; N496-L499 PolarHBondContact O-N 3.48Å; N496-L499 VanDerWaalsContact O-N 3.1Å; N496-Y510 VanDerWaalsContact O-CD1 3.32Å; N496-Y510 WeakPolarHBondContact O-CD1 3.46Å; N496-Y510 VanDerWaalsContact O-CE1 3.31Å; N496-Y510 WeakPolarHBondContact O-CE1 3.24Å; N496-E521 PolarHBondContact ND2-O 3.14Å
497	K	94.8	Very high	90.5	Very high	170 Å²	170	74.7 Å²	74.7	74%	0.739	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-62.7	-27.9	-179.7	-69.4	-175.7	-179.6	176.3	0	112.9	R495 L499 Q500	R495-K497 PolarHBondContact O-N 3.13Å; K497-L499 PolarHBondContact O-N 2.75Å; K497-Q500 WeakPolarHBondContact O-CB 3.46Å; K497-Q500 PolarHBondContact O-N 2.72Å
498	A	95.8	Very high	90.5	Very high	52 Å²	52	77 Å²	77	43%	0.43	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-62.6	-24.2	176.3	0	0	0	0	0	113.2	N496 L516 E521	N496-A498 PolarHBondContact O-N 3.37Å; N496-A498 VanDerWaalsContact OD1-CB 3.27Å; N496-A498 WeakPolarHBondContact OD1-CB 3.4Å; N496-A498 PolarHBondContact OD1-N 3.38Å; A498-L516 HydrophobicContact CB-CD1 3.59Å; A498-E521 WeakPolarHBondContact CB-OE2 3.42Å
499	L	96.3	Very high	90.7	Very high	3 Å²	3	82.2 Å²	82.2	2%	0.016	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-92.6	-1.4	177.6	-63.7	173.3	0	0	0	112.7	T485 N496 K497 V501 Y510 K511 L515 L516	T485-L499 HydrophobicContact CG2-CD1 3.48Å; T485-L499 VanDerWaalsContact CG2-CD1 3.48Å; N496-L499 HydrophobicContact CB-CD1 4.14Å; N496-L499 HydrophobicContact CB-CG 4.38Å; N496-L499 PolarHBondContact O-N 3.48Å; N496-L499 VanDerWaalsContact O-N 3.1Å; K497-L499 PolarHBondContact O-N 2.75Å; L499-V501 PolarHBondContact O-N 2.96Å; L499-Y510 HydrophobicContact CB-CD1 4.37Å; L499-Y510 CarbonylContact O-C 3.53Å; L499-Y510 VanDerWaalsContact O-CA 3.31Å; L499-Y510 WeakPolarHBondContact O-CA 3.26Å; L499-K511 HydrophobicContact CB-CB 4.23Å; L499-K511 HydrophobicContact CD2-CB 4.03Å; L499-K511 PolarHBondContact O-N 2.9Å; L499-L515 HydrophobicContact CD2-CB 4.46Å; L499-L516 HydrophobicContact CD2-CB 4.04Å; L499-L516 HydrophobicContact CD2-CD1 4.29Å; L499-L516 HydrophobicContact CG-CD1 4.17Å
500	Q	95.4	Very high	91.1	Very high	84 Å²	84	84.2 Å²	84.2	39%	0.393	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	132.5	-177.5	-167.1	179.1	6	0	0	110.6	K497 T508 R509 Y510	K497-Q500 WeakPolarHBondContact O-CB 3.46Å; K497-Q500 PolarHBondContact O-N 2.72Å; Q500-T508 HydrophobicContact CG-CG2 3.66Å; Q500-R509 WeakPolarHBondContact CA-O 3.11Å; Q500-Y510 HydrophobicContact CB-CD1 4.2Å; Q500-Y510 HydrophobicContact CB-CE1 3.83Å; Q500-Y510 HydrophobicContact CG-CE1 4.13Å
501	V	93.4	Very high	91.3	Very high	52 Å²	52	84.8 Å²	84.8	32%	0.315	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	148.6	172.3	-65.6	0	0	0	0	109.7	L499 T508 R509 K511	L499-V501 PolarHBondContact O-N 2.96Å; V501-T508 CarbonylContact O-C 3.49Å; V501-T508 WeakPolarHBondContact O-CA 3.25Å; V501-R509 HydrophobicContact CG2-CB 3.89Å; V501-R509 PolarHBondContact N-O 3.28Å; V501-R509 PolarHBondContact O-N 3.42Å; V501-R509 VanDerWaalsContact O-O 3.07Å; V501-K511 HydrophobicContact CG1-CD 4.11Å; V501-K511 HydrophobicContact CG1-CG 3.92Å
502	V	91.2	Very high	91.6	Very high	95 Å²	95	81 Å²	81	58%	0.576	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.2	121	173.3	-177.8	0	0	0	0	106.8	V507	V502-V507 WeakPolarHBondContact CA-O 3.35Å
503	D	83.5	Confident	92	Very high	36 Å²	36	78.4 Å²	78.4	19%	0.193	38%	0.384	C	S	.	.			trans	-73.5	171.2	177.1	71.9	18.1	0	0	0	111.7	R505 G506 V507 R509	D503-R505 PolarHBondContact O-N 3.47Å; D503-R505 WeakPolarHBondContact OD1-CA 3.39Å; D503-R505 WeakPolarHBondContact OD1-CB 3.28Å; D503-R505 PolarHBondContact OD1-N 2.81Å; D503-G506 PolarHBondContact O-N 3.01Å; D503-G506 PolarHBondContact OD1-N 2.76Å; D503-V507 PolarHBondContact N-O 3.31Å; D503-V507 WeakPolarHBondContact OD1-CB 3.3Å; D503-V507 PolarHBondContact OD1-N 2.96Å; D503-R509 IonicContact OD2-CZ 2.77Å; D503-R509 VanDerWaalsContact OD2-CZ 3.23Å; D503-R509 IonicContact OD2-NE 3.28Å; D503-R509 PolarHBondContact OD2-NE 3.34Å; D503-R509 IonicContact OD2-NH2 2.79Å; D503-R509 PolarHBondContact OD2-NH2 3.29Å
504	E	83.1	Confident	92.2	Very high	206 Å²	206	81 Å²	81	96%	0.963	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-17.7	-179	-61.8	179	173.4	0	0	113.7
505	R	82.7	Confident	92.4	Very high	222 Å²	222	79.1 Å²	79.1	84%	0.838	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	4.4	179.1	-56.3	179.5	-176.2	179.9	2.2	112.6	D503 V507	D503-R505 PolarHBondContact O-N 3.47Å; D503-R505 WeakPolarHBondContact OD1-CA 3.39Å; D503-R505 WeakPolarHBondContact OD1-CB 3.28Å; D503-R505 PolarHBondContact OD1-N 2.81Å; R505-V507 VanDerWaalsContact C-N 3.3Å; R505-V507 HydrophobicContact CB-CG2 4.29Å
506	G	86.7	Confident	92.4	Very high	53 Å²	53	74.2 Å²	74.2	55%	0.546	37%	0.373	S	S	.	.	S	Bend	trans	78.3	11	-176.9	0	0	0	0	0	113.9	D503	D503-G506 PolarHBondContact O-N 3.01Å; D503-G506 PolarHBondContact OD1-N 2.76Å
507	V	88.6	Confident	92.3	Very high	75 Å²	75	82.2 Å²	82.2	46%	0.455	41%	0.41	S	S	.	.			trans	-85.6	126.5	-179.3	-176.8	0	0	0	0	109.5	V502 D503 R505 R509	V502-V507 WeakPolarHBondContact CA-O 3.35Å; D503-V507 PolarHBondContact N-O 3.31Å; D503-V507 WeakPolarHBondContact OD1-CB 3.3Å; D503-V507 PolarHBondContact OD1-N 2.96Å; R505-V507 VanDerWaalsContact C-N 3.3Å; R505-V507 HydrophobicContact CB-CG2 4.29Å; V507-R509 PolarHBondContact O-N 3.01Å
508	T	90.8	Very high	92.2	Very high	68 Å²	68	77.1 Å²	77.1	42%	0.417	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	123.6	173	-67.3	0	0	0	0	110.5	Q500 V501 Y510	Q500-T508 HydrophobicContact CG-CG2 3.66Å; V501-T508 CarbonylContact O-C 3.49Å; V501-T508 WeakPolarHBondContact O-CA 3.25Å; T508-Y510 HydrophobicContact CG2-CE2 3.86Å
509	R	91.4	Very high	92	Very high	120 Å²	120	78.2 Å²	78.2	45%	0.453	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	173.7	170.8	-56.2	-174.1	-172.2	-159.6	3.9	109.7	Q500 V501 D503 V507	Q500-R509 WeakPolarHBondContact CA-O 3.11Å; V501-R509 HydrophobicContact CG2-CB 3.89Å; V501-R509 PolarHBondContact N-O 3.28Å; V501-R509 PolarHBondContact O-N 3.42Å; V501-R509 VanDerWaalsContact O-O 3.07Å; D503-R509 IonicContact OD2-CZ 2.77Å; D503-R509 VanDerWaalsContact OD2-CZ 3.23Å; D503-R509 IonicContact OD2-NE 3.28Å; D503-R509 PolarHBondContact OD2-NE 3.34Å; D503-R509 IonicContact OD2-NH2 2.79Å; D503-R509 PolarHBondContact OD2-NH2 3.29Å; V507-R509 PolarHBondContact O-N 3.01Å
510	Y	94.6	Very high	91.7	Very high	56 Å²	56	86 Å²	86	22%	0.22	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	137.5	176.7	-69.4	-99.5	0	0	0	109.7	R495 N496 L499 Q500 T508	R495-Y510 HydrophobicContact CB-CD1 3.69Å; R495-Y510 HydrophobicContact CB-CD2 4.32Å; R495-Y510 HydrophobicContact CB-CE1 3.53Å; R495-Y510 HydrophobicContact CB-CE2 4.18Å; R495-Y510 HydrophobicContact CB-CG 4.08Å; R495-Y510 VanDerWaalsContact CD-CD2 3.43Å; R495-Y510 HydrophobicContact CG-CD2 4.49Å; R495-Y510 HydrophobicContact CG-CG 4.49Å; N496-Y510 VanDerWaalsContact O-CD1 3.32Å; N496-Y510 WeakPolarHBondContact O-CD1 3.46Å; N496-Y510 VanDerWaalsContact O-CE1 3.31Å; N496-Y510 WeakPolarHBondContact O-CE1 3.24Å; L499-Y510 HydrophobicContact CB-CD1 4.37Å; L499-Y510 CarbonylContact O-C 3.53Å; L499-Y510 VanDerWaalsContact O-CA 3.31Å; L499-Y510 WeakPolarHBondContact O-CA 3.26Å; Q500-Y510 HydrophobicContact CB-CD1 4.2Å; Q500-Y510 HydrophobicContact CB-CE1 3.83Å; Q500-Y510 HydrophobicContact CG-CE1 4.13Å; T508-Y510 HydrophobicContact CG2-CE2 3.86Å
511	K	94.8	Very high	91.5	Very high	92 Å²	92	84.8 Å²	84.8	40%	0.4	42%	0.418	S	S	.	.			trans	-69.7	153.6	169.3	-71.1	-179.4	-178	178.5	0	110.2	G483 L499 V501 L515	G483-K511 VanDerWaalsContact CA-O 3.29Å; G483-K511 WeakPolarHBondContact CA-O 3.3Å; L499-K511 HydrophobicContact CB-CB 4.23Å; L499-K511 HydrophobicContact CD2-CB 4.03Å; L499-K511 PolarHBondContact O-N 2.9Å; V501-K511 HydrophobicContact CG1-CD 4.11Å; V501-K511 HydrophobicContact CG1-CG 3.92Å; K511-L515 HydrophobicContact CB-CB 4.35Å; K511-L515 HydrophobicContact CB-CD1 4.16Å; K511-L515 HydrophobicContact CD-CD1 4.23Å; K511-L515 HydrophobicContact CG-CD1 4.38Å
512	P	95.4	Very high	91.4	Very high	28 Å²	28	82.8 Å²	82.8	18%	0.182	41%	0.405	C	S	.	.			trans	-56.9	151.2	170.2	-28.7	36.9	0	0	0	113.5	Y480 Y514 L515	Y480-P512 CarbonylContact O-C 3.4Å; Y480-P512 WeakPolarHBondContact O-CA 3.43Å; P512-Y514 VanDerWaalsContact C-N 3.28Å; P512-Y514 HydrophobicContact CB-CD1 3.65Å; P512-Y514 HydrophobicContact CB-CE1 3.21Å; P512-Y514 HydrophobicContact CB-CE2 4.25Å; P512-Y514 HydrophobicContact CB-CG 4.33Å; P512-Y514 HydrophobicContact CG-CE1 3.89Å; P512-Y514 PolarHBondContact O-N 2.93Å; P512-L515 WeakPolarHBondContact O-CB 3.5Å; P512-L515 PolarHBondContact O-N 3.48Å
513	A	97.1	Very high	91.2	Very high	0 Å²	0	82.4 Å²	82.4	0%	0	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-56.9	-37.4	-177	0	0	0	0	0	113.6	Y462 W466 Y480 Y484 T485 L515 L516	Y462-A513 WeakPolarHBondContact OH-CB 3.48Å; Y462-A513 PolarHBondContact OH-O 3.17Å; W466-A513 HydrophobicContact CH2-CB 4.22Å; W466-A513 HydrophobicContact CZ2-CB 3.49Å; W466-A513 VanDerWaalsContact CZ2-CB 3.49Å; Y480-A513 HydrophobicContact CD1-CB 3.9Å; Y480-A513 HydrophobicContact CG-CB 4.37Å; Y480-A513 WeakPolarHBondContact O-CB 3.33Å; Y480-A513 PolarHBondContact O-N 2.71Å; Y484-A513 VanDerWaalsContact O-CB 3.31Å; Y484-A513 WeakPolarHBondContact O-CB 3.39Å; T485-A513 HydrophobicContact CG2-CB 4.15Å; A513-L515 PolarHBondContact O-N 3.28Å; A513-L516 VanDerWaalsContact O-CB 3.32Å; A513-L516 WeakPolarHBondContact O-CB 3.21Å; A513-L516 PolarHBondContact O-N 3.4Å
514	Y	96.3	Very high	91.4	Very high	59 Å²	59	86.1 Å²	86.1	23%	0.231	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-65.6	-7.4	178.8	62.6	-102.1	0	0	0	113.9	Y476 P512	Y476-Y514 WeakPolarHBondContact OH-CE1 3.41Å; P512-Y514 VanDerWaalsContact C-N 3.28Å; P512-Y514 HydrophobicContact CB-CD1 3.65Å; P512-Y514 HydrophobicContact CB-CE1 3.21Å; P512-Y514 HydrophobicContact CB-CE2 4.25Å; P512-Y514 HydrophobicContact CB-CG 4.33Å; P512-Y514 HydrophobicContact CG-CE1 3.89Å; P512-Y514 PolarHBondContact O-N 2.93Å
515	L	96.5	Very high	91.4	Very high	81 Å²	81	76.5 Å²	76.5	42%	0.424	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-96.7	7.8	173.1	-60.7	-176.8	0	0	0	113.4	L499 K511 P512 A513 E517	L499-L515 HydrophobicContact CD2-CB 4.46Å; K511-L515 HydrophobicContact CB-CB 4.35Å; K511-L515 HydrophobicContact CB-CD1 4.16Å; K511-L515 HydrophobicContact CD-CD1 4.23Å; K511-L515 HydrophobicContact CG-CD1 4.38Å; P512-L515 WeakPolarHBondContact O-CB 3.5Å; P512-L515 PolarHBondContact O-N 3.48Å; A513-L515 PolarHBondContact O-N 3.28Å; L515-E517 PolarHBondContact O-N 3.43Å
516	L	96.6	Very high	91.4	Very high	3 Å²	3	70.4 Å²	70.4	2%	0.016	35%	0.345	C	S	.	.			trans	-70.3	115.6	174.9	-178.5	75.9	0	0	0	109.1	Y462 H463 T485 A498 L499 A513 N518 E521 E522	Y462-L516 HydrophobicContact CE1-CB 3.77Å; Y462-L516 HydrophobicContact CE1-CD2 3.97Å; Y462-L516 HydrophobicContact CE1-CG 4.41Å; Y462-L516 HydrophobicContact CE2-CD2 4.43Å; H463-L516 PolarHBondContact CE1-O 2.86Å; T485-L516 HydrophobicContact CG2-CB 4.41Å; T485-L516 HydrophobicContact CG2-CD2 4.01Å; A498-L516 HydrophobicContact CB-CD1 3.59Å; L499-L516 HydrophobicContact CD2-CB 4.04Å; L499-L516 HydrophobicContact CD2-CD1 4.29Å; L499-L516 HydrophobicContact CG-CD1 4.17Å; A513-L516 VanDerWaalsContact O-CB 3.32Å; A513-L516 WeakPolarHBondContact O-CB 3.21Å; A513-L516 PolarHBondContact O-N 3.4Å; L516-N518 WeakPolarHBondContact CD2-O 3.31Å; L516-N518 WeakPolarHBondContact CG-O 3.41Å; L516-E521 HydrophobicContact CD1-CB 4.44Å; L516-E522 HydrophobicContact CD2-CB 4.39Å
517	E	93.7	Very high	90.6	Very high	172 Å²	172	73.7 Å²	73.7	80%	0.804	37%	0.367	S	S	*	.	S	Bend	trans	-74.8	-50.5	-175.8	-64.2	176.4	-175.7	0	0	112.2	H463 L515	H463-E517 PolarHBondContact NE2-O 2.65Å; H463-E517 VanDerWaalsContact NE2-O 3.09Å; L515-E517 PolarHBondContact O-N 3.43Å
518	N	93.1	Very high	90.7	Very high	63 Å²	63	73.6 Å²	73.6	34%	0.337	36%	0.363	S	S	.	.			trans	-89.9	107.9	179.1	-175.3	7.3	0	0	0	111.1	L516 E520 E521	L516-N518 WeakPolarHBondContact CD2-O 3.31Å; L516-N518 WeakPolarHBondContact CG-O 3.41Å; N518-E520 VanDerWaalsContact C-N 3.27Å; N518-E520 PolarHBondContact O-N 3.48Å; N518-E520 WeakPolarHBondContact OD1-CB 3.47Å; N518-E520 PolarHBondContact OD1-N 3.07Å; N518-E521 HydrophobicContact CB-CG 4.05Å; N518-E521 WeakPolarHBondContact ND2-CG 3.43Å; N518-E521 PolarHBondContact ND2-OE1 3.22Å; N518-E521 WeakPolarHBondContact O-CB 3.37Å; N518-E521 PolarHBondContact O-N 3.19Å
519	E	90.6	Very high	90.7	Very high	75 Å²	75	73.9 Å²	73.9	35%	0.35	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-68.9	-22.4	-178.3	62.5	174.7	-161.3	0	0	114.4	T461 Y462 H463 E521 E522	T461-E519 VanDerWaalsContact CB-OE2 3.32Å; T461-E519 WeakPolarHBondContact CB-OE2 3.47Å; Y462-E519 HydrophobicContact CD1-CB 4.38Å; Y462-E519 HydrophobicContact CG-CB 4.22Å; Y462-E519 PolarHBondContact N-OE2 2.9Å; Y462-E519 VanDerWaalsContact N-OE2 3.17Å; H463-E519 IonicContact CD2-OE2 3.2Å; E519-E521 PolarHBondContact O-N 3.31Å; E519-E521 VanDerWaalsContact O-N 3.15Å; E519-E522 VanDerWaalsContact O-CB 3.23Å; E519-E522 WeakPolarHBondContact O-CB 3.5Å; E519-E522 PolarHBondContact O-N 3.06Å
520	E	89.9	Confident	90.6	Very high	165 Å²	165	71.3 Å²	71.3	77%	0.771	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-62	-23	175	-61.2	-174.4	165.9	0	0	111.6	N518 E522	N518-E520 VanDerWaalsContact C-N 3.27Å; N518-E520 PolarHBondContact O-N 3.48Å; N518-E520 WeakPolarHBondContact OD1-CB 3.47Å; N518-E520 PolarHBondContact OD1-N 3.07Å; E520-E522 VanDerWaalsContact C-N 3.3Å; E520-E522 PolarHBondContact O-N 3.15Å
521	E	91.7	Very high	90.4	Very high	60 Å²	60	72.2 Å²	72.2	28%	0.28	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-84.6	-1.4	179.6	-57	-178.3	-166.6	0	0	113.3	N496 A498 L516 N518 E519 R523 N524	N496-E521 PolarHBondContact ND2-O 3.14Å; A498-E521 WeakPolarHBondContact CB-OE2 3.42Å; L516-E521 HydrophobicContact CD1-CB 4.44Å; N518-E521 HydrophobicContact CB-CG 4.05Å; N518-E521 WeakPolarHBondContact ND2-CG 3.43Å; N518-E521 PolarHBondContact ND2-OE1 3.22Å; N518-E521 WeakPolarHBondContact O-CB 3.37Å; N518-E521 PolarHBondContact O-N 3.19Å; E519-E521 PolarHBondContact O-N 3.31Å; E519-E521 VanDerWaalsContact O-N 3.15Å; E521-R523 PolarHBondContact O-N 3.14Å; E521-R523 VanDerWaalsContact O-N 3.1Å; E521-N524 WeakPolarHBondContact CA-ND2 3.38Å; E521-N524 WeakPolarHBondContact CB-ND2 3.46Å; E521-N524 WeakPolarHBondContact CG-ND2 3.38Å; E521-N524 WeakPolarHBondContact O-CB 3.27Å; E521-N524 PolarHBondContact O-N 2.73Å
522	E	90.5	Very high	90.1	Very high	10 Å²	10	71 Å²	71	5%	0.047	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-50.2	-41.5	-178.5	177.4	-173.6	168.1	0	0	112	K347 R429 Y462 T485 L516 E519 E520	K347-E522 IonicContact NZ-OE1 3.87Å; K347-E522 PolarHBondContact NZ-OE1 3.45Å; R429-E522 IonicContact CZ-OE1 3Å; R429-E522 IonicContact CZ-OE2 2.82Å; R429-E522 VanDerWaalsContact CZ-OE2 3.28Å; R429-E522 IonicContact NH1-OE2 3.72Å; R429-E522 PolarHBondContact NH1-OE2 2.98Å; R429-E522 IonicContact NH2-OE1 3.56Å; R429-E522 PolarHBondContact NH2-OE1 3.46Å; R429-E522 IonicContact NH2-OE2 3.4Å; R429-E522 PolarHBondContact NH2-OE2 3.21Å; Y462-E522 HydrophobicContact CD2-CB 4.09Å; Y462-E522 VanDerWaalsContact CD2-CD 3.42Å; Y462-E522 HydrophobicContact CD2-CG 3.71Å; Y462-E522 VanDerWaalsContact CD2-OE2 3.29Å; Y462-E522 WeakPolarHBondContact CD2-OE2 3.13Å; Y462-E522 HydrophobicContact CE2-CB 4.23Å; Y462-E522 HydrophobicContact CE2-CG 3.7Å; T485-E522 PolarHBondContact OG1-O 3.14Å; L516-E522 HydrophobicContact CD2-CB 4.39Å; E519-E522 VanDerWaalsContact O-CB 3.23Å; E519-E522 WeakPolarHBondContact O-CB 3.5Å; E519-E522 PolarHBondContact O-N 3.06Å; E520-E522 VanDerWaalsContact C-N 3.3Å; E520-E522 PolarHBondContact O-N 3.15Å
523	R	87.3	Confident	89.8	Confident	86 Å²	86	73.9 Å²	73.9	33%	0.325	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-96.8	-0.3	-175	-68.4	-179.1	172.6	-106.6	-0.1	114	D432 E521 S525 R526	D432-R523 IonicContact OD1-CZ 2.83Å; D432-R523 IonicContact OD1-NE 2.78Å; D432-R523 IonicContact OD1-NH2 3.8Å; D432-R523 PolarHBondContact OD1-NH2 2.8Å; E521-R523 PolarHBondContact O-N 3.14Å; E521-R523 VanDerWaalsContact O-N 3.1Å; R523-S525 PolarHBondContact O-N 2.94Å; R523-R526 PolarHBondContact O-N 2.98Å; R523-R526 VanDerWaalsContact O-N 3.09Å
524	N	87.3	Confident	89.3	Confident	115 Å²	115	79.1 Å²	79.1	62%	0.615	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-9.7	174.5	-70.3	-5.8	0	0	0	112.9	E521	E521-N524 WeakPolarHBondContact CA-ND2 3.38Å; E521-N524 WeakPolarHBondContact CB-ND2 3.46Å; E521-N524 WeakPolarHBondContact CG-ND2 3.38Å; E521-N524 WeakPolarHBondContact O-CB 3.27Å; E521-N524 PolarHBondContact O-N 2.73Å
525	S	83.9	Confident	88.7	Confident	3 Å²	3	80.7 Å²	80.7	2%	0.021	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95	13.6	177.7	85.2	0	0	0	0	113.5	T485 Y494 R523	T485-S525 PolarHBondContact OG1-OG 3.05Å; Y494-S525 PolarHBondContact N-O 2.96Å; Y494-S525 WeakPolarHBondContact O-CB 3.42Å; Y494-S525 PolarHBondContact O-OG 3.39Å; R523-S525 PolarHBondContact O-N 2.94Å
526	R	82.1	Confident	88.1	Confident	94 Å²	94	80.7 Å²	80.7	36%	0.355	41%	0.411	S	S	.	.	B	Isolated β-bridge	trans	-112.7	140.3	172.4	-66.2	-165.7	-176.4	-146.6	-3.3	111.5	S486 L487 N492 R523	S486-R526 VanDerWaalsContact OG-CZ 3.26Å; S486-R526 PolarHBondContact OG-NE 3.02Å; S486-R526 PolarHBondContact OG-NH2 3.27Å; L487-R526 VanDerWaalsContact C-NH2 3.3Å; L487-R526 PolarHBondContact O-NH2 3.38Å; N492-R526 VanDerWaalsContact O-CA 3.26Å; N492-R526 WeakPolarHBondContact O-CA 3.32Å; R523-R526 PolarHBondContact O-N 2.98Å; R523-R526 VanDerWaalsContact O-N 3.09Å
527	A	70.2	Confident	87.3	Confident	122 Å²	122	87.7 Å²	87.7	100%	1.008	45%	0.447	S	S	*	.			trans	-82.1	0	169.8	0	0	0	0	0	112.7	N492 Y494	N492-A527 PolarHBondContact O-N 3.41Å; Y494-A527 HydrophobicContact CE2-CB 3.66Å

Retrieved 527 of 527 residues in 146.5 ms (Link to these results)

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