A0A087X7F2_POEFO Loading...

Protein O-linked-mannose beta-1,2-N-acetylglucosaminyltransferase

Participates in O-mannosyl glycosylation by catalyzing the addition of N-acetylglucosamine to O-linked mannose on glycoproteins. Catalyzes the synthesis of the GlcNAc(beta1-2)Man(alpha1-)O-Ser/Thr moiety on alpha-dystroglycan and other O-mannosylated proteins, providing the necessary basis for the addition of further carbohydrate moieties. Is specific for alpha linked terminal mannose.

AlphaFold DB , UniProt , Accession A0A087X7F2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 653 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.8	Very low	48.4	Very low	250 Å²	250	161.1 Å²	161.1	100%	1.232	82%	0.824	S	S	*	*				0	80.9	0	-99.7	179.9	-117.4	0	0	107.5
2	E	40.3	Very low	48.3	Very low	184 Å²	184	157.1 Å²	157.1	86%	0.86	82%	0.817	S	S	*	*			trans	-114.2	106.7	178.1	-69.8	-179.9	158.8	0	0	106.2
3	T	41.8	Very low	48.1	Very low	150 Å²	150	159.2 Å²	159.2	92%	0.92	82%	0.816	S	S	*	*			trans	158.7	93.7	154.5	39.9	0	0	0	0	109.6
4	W	43.3	Very low	48	Very low	213 Å²	213	157.7 Å²	157.7	81%	0.807	81%	0.808	S	S	*	*			trans	-137.4	122.2	156.6	-174.3	81.1	0	0	0	108.7	P6	W4-P6 HydrophobicContact CE3-CG 4.18Å; W4-P6 HydrophobicContact CH2-CB 3.64Å; W4-P6 HydrophobicContact CH2-CG 4.05Å; W4-P6 HydrophobicContact CZ2-CB 4.44Å; W4-P6 HydrophobicContact CZ3-CB 3.73Å; W4-P6 HydrophobicContact CZ3-CG 3.57Å
5	T	48.5	Very low	47.5	Very low	130 Å²	130	153.4 Å²	153.4	80%	0.798	80%	0.795	S	S	*	*			trans	-109.9	130.1	174.5	39.2	0	0	0	0	109.8
6	P	49.5	Very low	46.8	Very low	92 Å²	92	158.5 Å²	158.5	60%	0.597	80%	0.801	S	S	*	*			trans	-76.5	145.2	-178.2	-3.8	17.3	0	0	0	113.2	W4	W4-P6 HydrophobicContact CE3-CG 4.18Å; W4-P6 HydrophobicContact CH2-CB 3.64Å; W4-P6 HydrophobicContact CH2-CG 4.05Å; W4-P6 HydrophobicContact CZ2-CB 4.44Å; W4-P6 HydrophobicContact CZ3-CB 3.73Å; W4-P6 HydrophobicContact CZ3-CG 3.57Å
7	N	55.9	Low	46.6	Very low	115 Å²	115	159.2 Å²	159.2	62%	0.615	80%	0.8	S	S	*	*			trans	-64.8	124.1	178.2	-179.6	-11.5	0	0	0	112.5	R9 A10	N7-R9 PolarHBondContact O-N 2.83Å; N7-R9 VanDerWaalsContact O-N 3.08Å; N7-R9 PolarHBondContact OD1-N 3.28Å; N7-R9 VanDerWaalsContact OD1-N 3.07Å; N7-A10 PolarHBondContact O-N 2.75Å
8	P	55.9	Low	46.2	Very low	129 Å²	129	160.4 Å²	160.4	84%	0.838	80%	0.803	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	7.9	-176.2	29.2	-34.1	0	0	0	115.4
9	R	52.3	Low	45.9	Very low	229 Å²	229	163.4 Å²	163.4	86%	0.864	80%	0.804	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.8	14.4	175.8	-69.1	-174.3	177.2	170	0.3	115	N7	N7-R9 PolarHBondContact O-N 2.83Å; N7-R9 VanDerWaalsContact O-N 3.08Å; N7-R9 PolarHBondContact OD1-N 3.28Å; N7-R9 VanDerWaalsContact OD1-N 3.07Å
10	A	51.6	Low	45.9	Very low	81 Å²	81	158.6 Å²	158.6	67%	0.669	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-74.2	127.4	171.7	0	0	0	0	0	111.3	N7	N7-A10 PolarHBondContact O-N 2.75Å
11	K	52.5	Low	45.9	Very low	199 Å²	199	162.3 Å²	162.3	87%	0.865	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-63.8	143.9	175.4	-73.3	-179.4	178.1	178.1	0	110.7	F13	K11-F13 PolarHBondContact O-N 3.26Å
12	P	47.5	Very low	46.2	Very low	113 Å²	113	157.9 Å²	157.9	73%	0.734	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-61.6	126.8	-178.7	22.9	-31.2	0	0	0	111.1	I14	P12-I14 PolarHBondContact O-N 3.21Å; P12-I14 VanDerWaalsContact O-N 3.14Å
13	F	45.2	Very low	46.5	Very low	185 Å²	185	155.3 Å²	155.3	81%	0.811	75%	0.754	S	S	*	*			trans	-69	106.5	171.6	-179.5	-101.2	0	0	0	108.7	K11 P15	K11-F13 PolarHBondContact O-N 3.26Å; F13-P15 HydrophobicContact CD1-CG 4.26Å; F13-P15 HydrophobicContact CE1-CB 4.33Å; F13-P15 HydrophobicContact CE1-CG 4.16Å; F13-P15 WeakPolarHBondContact O-CD 3.33Å
14	I	47.1	Very low	46.8	Very low	138 Å²	138	152.7 Å²	152.7	71%	0.708	74%	0.738	S	S	*	*			trans	-88.8	112.2	171.6	-61.6	170.9	0	0	0	106.6	P12 R16	P12-I14 PolarHBondContact O-N 3.21Å; P12-I14 VanDerWaalsContact O-N 3.14Å; I14-R16 PolarHBondContact O-N 2.89Å; I14-R16 VanDerWaalsContact O-N 3.1Å
15	P	40.2	Very low	46.9	Very low	93 Å²	93	150.9 Å²	150.9	60%	0.604	73%	0.732	S	S	*	*			trans	-64.9	114.6	174.8	-15.7	29.5	0	0	0	109.1	F13 Q17	F13-P15 HydrophobicContact CD1-CG 4.26Å; F13-P15 HydrophobicContact CE1-CB 4.33Å; F13-P15 HydrophobicContact CE1-CG 4.16Å; F13-P15 WeakPolarHBondContact O-CD 3.33Å; P15-Q17 PolarHBondContact O-N 2.76Å; P15-Q17 VanDerWaalsContact O-N 3.07Å
16	R	37.1	Very low	46.6	Very low	235 Å²	235	151.8 Å²	151.8	89%	0.887	72%	0.724	S	S	*	*			trans	-61.1	109.7	166.9	-100.2	179.8	164.4	177	-4.1	108.3	I14 Q18	I14-R16 PolarHBondContact O-N 2.89Å; I14-R16 VanDerWaalsContact O-N 3.1Å; R16-Q18 VanDerWaalsContact C-N 3.34Å; R16-Q18 PolarHBondContact O-N 2.9Å
17	Q	43.6	Very low	46.3	Very low	171 Å²	171	157.1 Å²	157.1	80%	0.799	73%	0.734	S	S	*	*			trans	-63.8	92.9	164.3	-79.4	-175.9	-8.3	0	0	109.4	P15	P15-Q17 PolarHBondContact O-N 2.76Å; P15-Q17 VanDerWaalsContact O-N 3.07Å
18	Q	39.5	Very low	45.6	Very low	180 Å²	180	162 Å²	162	84%	0.841	74%	0.744	S	S	*	*			trans	-96.7	90.7	153.1	-86.3	-173.2	-23.8	0	0	107.9	R16 S20	R16-Q18 VanDerWaalsContact C-N 3.34Å; R16-Q18 PolarHBondContact O-N 2.9Å; Q18-S20 PolarHBondContact O-N 3.19Å
19	R	39.9	Very low	45.2	Very low	217 Å²	217	159.9 Å²	159.9	82%	0.819	73%	0.725	S	S	*	*			trans	-60.2	104.8	165.5	-86.2	177.8	169.4	174.7	-3.9	108	W21	R19-W21 PolarHBondContact O-N 3.27Å
20	S	45.5	Very low	44.9	Very low	68 Å²	68	154.4 Å²	154.4	48%	0.476	72%	0.717	S	S	.	*			trans	-58.7	117.3	176.7	178.3	0	0	0	0	110.7	Q18 Y22 L23	Q18-S20 PolarHBondContact O-N 3.19Å; S20-Y22 PolarHBondContact O-N 3.01Å; S20-Y22 WeakPolarHBondContact OG-CB 3.42Å; S20-Y22 PolarHBondContact OG-N 3.24Å; S20-L23 PolarHBondContact O-N 2.89Å
21	W	45.2	Very low	44.8	Very low	237 Å²	237	159.2 Å²	159.2	90%	0.898	73%	0.726	S	S	*	*	H	α-helix	trans	-54.6	-15.2	169.9	-90.1	38.9	0	0	0	113.4	R19 W25	R19-W21 PolarHBondContact O-N 3.27Å; W21-W25 WeakPolarHBondContact O-CB 3.2Å; W21-W25 PolarHBondContact O-N 2.95Å
22	Y	47.9	Very low	44.9	Very low	156 Å²	156	159.4 Å²	159.4	61%	0.612	72%	0.721	S	S	*	*	H	α-helix	trans	-69.8	-36.8	-178.5	-162.3	-102.2	0	0	0	113.2	S20 W25 K26	S20-Y22 PolarHBondContact O-N 3.01Å; S20-Y22 WeakPolarHBondContact OG-CB 3.42Å; S20-Y22 PolarHBondContact OG-N 3.24Å; Y22-W25 PolarHBondContact O-N 2.68Å; Y22-K26 WeakPolarHBondContact O-CB 3.23Å; Y22-K26 PolarHBondContact O-N 2.86Å; Y22-K26 VanDerWaalsContact O-N 3.07Å
23	L	47.7	Very low	45.4	Very low	130 Å²	130	165 Å²	165	68%	0.681	73%	0.727	S	S	*	*	H	α-helix	trans	-76.8	-31.4	180	-92.2	119.7	0	0	0	112.8	S20 W25 Y27	S20-L23 PolarHBondContact O-N 2.89Å; L23-W25 VanDerWaalsContact C-N 3.34Å; L23-Y27 PolarHBondContact O-N 2.81Å
24	T	46.1	Very low	45.9	Very low	95 Å²	95	159.7 Å²	159.7	58%	0.583	71%	0.713	S	S	*	*	H	α-helix	trans	-73.5	-28.5	173.9	-19.1	0	0	0	0	111.9
25	W	46	Very low	46.4	Very low	176 Å²	176	157.3 Å²	157.3	67%	0.667	70%	0.702	S	S	*	*	H	α-helix	trans	-74.4	-40.3	174	-156.3	66.9	0	0	0	111.9	W21 Y22 L23 Y27 R28 L29	W21-W25 WeakPolarHBondContact O-CB 3.2Å; W21-W25 PolarHBondContact O-N 2.95Å; Y22-W25 PolarHBondContact O-N 2.68Å; L23-W25 VanDerWaalsContact C-N 3.34Å; W25-Y27 VanDerWaalsContact C-N 3.27Å; W25-Y27 PolarHBondContact O-N 3.32Å; W25-R28 PolarHBondContact O-N 3.15Å; W25-L29 HydrophobicContact CD2-CD1 3.78Å; W25-L29 HydrophobicContact CE3-CD1 3.92Å; W25-L29 HydrophobicContact CG-CD1 4.46Å; W25-L29 HydrophobicContact CH2-CD1 3.9Å; W25-L29 HydrophobicContact CZ2-CD1 3.74Å; W25-L29 HydrophobicContact CZ3-CD1 3.98Å
26	K	43.6	Very low	47.4	Very low	148 Å²	148	162.3 Å²	162.3	64%	0.643	71%	0.708	S	S	*	*	H	α-helix	trans	-66.1	-27	179.4	-152.1	175.2	-175.1	-179.8	0	113.3	Y22	Y22-K26 WeakPolarHBondContact O-CB 3.23Å; Y22-K26 PolarHBondContact O-N 2.86Å; Y22-K26 VanDerWaalsContact O-N 3.07Å
27	Y	41.2	Very low	48.7	Very low	205 Å²	205	160.3 Å²	160.3	80%	0.804	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-11.9	178.9	-133.8	-93	0	0	0	114.4	L23 W25 T30	L23-Y27 PolarHBondContact O-N 2.81Å; W25-Y27 VanDerWaalsContact C-N 3.27Å; W25-Y27 PolarHBondContact O-N 3.32Å; Y27-T30 PolarHBondContact O-OG1 3.03Å
28	R	41.7	Very low	49.8	Very low	218 Å²	218	159.5 Å²	159.5	82%	0.823	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	-12.2	177.1	-94.2	-173	-179.4	-178.9	1.5	114.8	W25	W25-R28 PolarHBondContact O-N 3.15Å
29	L	47.7	Very low	51.4	Low	83 Å²	83	154.8 Å²	154.8	44%	0.435	68%	0.681	S	S	.	*	S	Bend	trans	-91.6	-7.9	-179.6	-91.7	154.6	0	0	0	114.4	W25 Q31 L35	W25-L29 HydrophobicContact CD2-CD1 3.78Å; W25-L29 HydrophobicContact CE3-CD1 3.92Å; W25-L29 HydrophobicContact CG-CD1 4.46Å; W25-L29 HydrophobicContact CH2-CD1 3.9Å; W25-L29 HydrophobicContact CZ2-CD1 3.74Å; W25-L29 HydrophobicContact CZ3-CD1 3.98Å; L29-Q31 VanDerWaalsContact C-N 3.29Å; L29-Q31 PolarHBondContact O-N 3.34Å; L29-L35 HydrophobicContact CD2-CD2 3.65Å
30	T	45.7	Very low	52.9	Low	114 Å²	114	150.6 Å²	150.6	70%	0.699	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	8.2	-178.1	24.7	0	0	0	0	115	Y27	Y27-T30 PolarHBondContact O-OG1 3.03Å
31	Q	50.8	Low	54.4	Low	183 Å²	183	150.1 Å²	150.1	86%	0.855	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.9	36.6	-175.4	-126.7	-168.1	18.1	0	0	116.3	L29	L29-Q31 VanDerWaalsContact C-N 3.29Å; L29-Q31 PolarHBondContact O-N 3.34Å
32	R	54.7	Low	56.1	Low	203 Å²	203	140.6 Å²	140.6	77%	0.766	65%	0.647	S	S	*	*			trans	-133.5	97.3	162.4	-76.9	-173.6	174.2	177.9	-2.4	111.4	S34 L35	R32-S34 PolarHBondContact O-N 3.18Å; R32-L35 HydrophobicContact CB-CB 4.48Å; R32-L35 PolarHBondContact O-N 3.15Å
33	R	56.6	Low	57.6	Low	230 Å²	230	135.8 Å²	135.8	87%	0.868	64%	0.639	S	S	*	*	H	α-helix	trans	-48.9	-25.5	168.2	-87.6	178.6	172.1	172.1	-3.2	113.1	R37	R33-R37 PolarHBondContact O-N 2.84Å
34	S	56.3	Low	59.4	Low	73 Å²	73	134.3 Å²	134.3	51%	0.51	64%	0.635	S	S	.	*	H	α-helix	trans	-65.6	-41.4	174.5	177.3	0	0	0	0	113.1	R32 R36 R37 F38	R32-S34 PolarHBondContact O-N 3.18Å; S34-R36 PolarHBondContact O-N 2.04Å; S34-R37 PolarHBondContact O-N 2.8Å; S34-F38 WeakPolarHBondContact O-CD2 3.38Å; S34-F38 PolarHBondContact O-N 3.39Å
35	L	58.5	Low	61.3	Low	89 Å²	89	135.2 Å²	135.2	47%	0.466	64%	0.636	S	S	.	*	H	α-helix	trans	-69.4	-37.1	-177.3	-147.5	89.8	0	0	0	111.8	L29 R32 R37 F38 C39	L29-L35 HydrophobicContact CD2-CD2 3.65Å; R32-L35 HydrophobicContact CB-CB 4.48Å; R32-L35 PolarHBondContact O-N 3.15Å; L35-R37 VanDerWaalsContact C-N 3.35Å; L35-F38 PolarHBondContact O-N 3.43Å; L35-C39 PolarHBondContact O-N 3.24Å; L35-C39 PolarHBondContact O-SG 3.11Å
36	R	60.6	Low	63.2	Low	197 Å²	197	134 Å²	134	74%	0.743	64%	0.636	S	S	*	*	H	α-helix	trans	-67.7	-35	177.2	-148.1	177.3	-173.8	-173.1	0.7	112	S34 Q40	S34-R36 PolarHBondContact O-N 2.04Å; R36-Q40 WeakPolarHBondContact O-CB 3.1Å; R36-Q40 PolarHBondContact O-N 2.92Å
37	R	64.1	Low	65	Low	193 Å²	193	132.5 Å²	132.5	73%	0.728	63%	0.634	S	S	*	*	H	α-helix	trans	-69.4	-39.3	172.1	-75.1	-174.2	177.8	-177.7	-1.1	112	R33 S34 L35 Q40 A41	R33-R37 PolarHBondContact O-N 2.84Å; S34-R37 PolarHBondContact O-N 2.8Å; L35-R37 VanDerWaalsContact C-N 3.35Å; R37-Q40 PolarHBondContact O-N 3.5Å; R37-A41 VanDerWaalsContact O-CB 3.23Å; R37-A41 WeakPolarHBondContact O-CB 3.22Å; R37-A41 PolarHBondContact O-N 3.02Å
38	F	67.4	Low	67.3	Low	154 Å²	154	129.2 Å²	129.2	68%	0.675	62%	0.624	S	S	*	*	H	α-helix	trans	-66	-40.5	173.6	-96.5	-80.1	0	0	0	112.6	S34 L35 A41 G42	S34-F38 WeakPolarHBondContact O-CD2 3.38Å; S34-F38 PolarHBondContact O-N 3.39Å; L35-F38 PolarHBondContact O-N 3.43Å; F38-A41 PolarHBondContact O-N 3.49Å; F38-G42 PolarHBondContact O-N 3.23Å
39	C	71.9	Confident	69.5	Low	82 Å²	82	122.4 Å²	122.4	55%	0.554	61%	0.606	S	S	*	*	H	α-helix	trans	-69.4	-38.6	175.4	-67.7	0	0	0	0	112.5	L35 G42 A43	L35-C39 PolarHBondContact O-N 3.24Å; L35-C39 PolarHBondContact O-SG 3.11Å; C39-G42 PolarHBondContact O-N 3.38Å; C39-A43 WeakPolarHBondContact O-CB 3.11Å; C39-A43 PolarHBondContact O-N 3.25Å
40	Q	71.4	Confident	71.2	Confident	128 Å²	128	120.9 Å²	120.9	60%	0.598	60%	0.601	S	S	*	*	H	α-helix	trans	-66.1	-42.7	172.7	-85.1	180	-45.8	0	0	111.8	R36 R37 G42 A43 V44	R36-Q40 WeakPolarHBondContact O-CB 3.1Å; R36-Q40 PolarHBondContact O-N 2.92Å; R37-Q40 PolarHBondContact O-N 3.5Å; Q40-G42 VanDerWaalsContact C-N 3.31Å; Q40-G42 PolarHBondContact O-N 2.81Å; Q40-A43 PolarHBondContact O-N 3.45Å; Q40-V44 VanDerWaalsContact O-CG2 3.28Å; Q40-V44 WeakPolarHBondContact O-CG2 3.2Å; Q40-V44 PolarHBondContact O-N 3.48Å
41	A	77	Confident	73.1	Confident	59 Å²	59	119 Å²	119	49%	0.488	59%	0.589	S	S	.	*	H	α-helix	trans	-62.2	-39.6	174	0	0	0	0	0	111.5	R37 F38 V44 L45	R37-A41 VanDerWaalsContact O-CB 3.23Å; R37-A41 WeakPolarHBondContact O-CB 3.22Å; R37-A41 PolarHBondContact O-N 3.02Å; F38-A41 PolarHBondContact O-N 3.49Å; A41-V44 PolarHBondContact O-N 2.97Å; A41-L45 VanDerWaalsContact O-CB 3.27Å; A41-L45 WeakPolarHBondContact O-CB 3.27Å; A41-L45 PolarHBondContact O-N 3.19Å
42	G	82.4	Confident	74.9	Confident	37 Å²	37	113.6 Å²	113.6	38%	0.381	57%	0.568	S	S	.	*	H	α-helix	trans	-64.9	-39.7	173.8	0	0	0	0	0	113.3	F38 C39 Q40 L45 F46	F38-G42 PolarHBondContact O-N 3.23Å; C39-G42 PolarHBondContact O-N 3.38Å; Q40-G42 VanDerWaalsContact C-N 3.31Å; Q40-G42 PolarHBondContact O-N 2.81Å; G42-L45 PolarHBondContact O-N 2.81Å; G42-F46 WeakPolarHBondContact O-CB 3.31Å; G42-F46 PolarHBondContact O-N 2.85Å
43	A	79.1	Confident	76.4	Confident	55 Å²	55	107.7 Å²	107.7	46%	0.455	55%	0.554	S	S	.	*	H	α-helix	trans	-68.9	-38.6	176.1	0	0	0	0	0	112.2	C39 Q40 F46 L47	C39-A43 WeakPolarHBondContact O-CB 3.11Å; C39-A43 PolarHBondContact O-N 3.25Å; Q40-A43 PolarHBondContact O-N 3.45Å; A43-F46 PolarHBondContact O-N 3.36Å; A43-L47 WeakPolarHBondContact O-CB 3.39Å; A43-L47 PolarHBondContact O-N 3.47Å
44	V	84.4	Confident	77.4	Confident	99 Å²	99	100.7 Å²	100.7	60%	0.6	53%	0.534	S	S	*	.	H	α-helix	trans	-67.4	-41.2	174	172.6	0	0	0	0	110.7	Q40 A41 F46 L47 F48	Q40-V44 VanDerWaalsContact O-CG2 3.28Å; Q40-V44 WeakPolarHBondContact O-CG2 3.2Å; Q40-V44 PolarHBondContact O-N 3.48Å; A41-V44 PolarHBondContact O-N 2.97Å; V44-F46 VanDerWaalsContact C-N 3.34Å; V44-L47 PolarHBondContact O-N 3.01Å; V44-F48 VanDerWaalsContact O-CB 3.31Å; V44-F48 WeakPolarHBondContact O-CB 3.47Å; V44-F48 PolarHBondContact O-N 2.7Å
45	L	85.4	Confident	78.7	Confident	114 Å²	114	101.5 Å²	101.5	60%	0.597	53%	0.532	S	S	*	.	H	α-helix	trans	-62.5	-42.3	173.9	-169.9	78.7	0	0	0	111	A41 G42 F48 V49	A41-L45 VanDerWaalsContact O-CB 3.27Å; A41-L45 WeakPolarHBondContact O-CB 3.27Å; A41-L45 PolarHBondContact O-N 3.19Å; G42-L45 PolarHBondContact O-N 2.81Å; L45-F48 PolarHBondContact O-N 3.36Å; L45-V49 WeakPolarHBondContact O-CB 3.22Å; L45-V49 VanDerWaalsContact O-CG2 3.28Å; L45-V49 WeakPolarHBondContact O-CG2 3.37Å; L45-V49 PolarHBondContact O-N 3.34Å
46	F	85.9	Confident	79.7	Confident	151 Å²	151	103.3 Å²	103.3	66%	0.662	54%	0.536	S	S	*	.	H	α-helix	trans	-62.7	-47.6	176.5	-174.8	-95	0	0	0	111.3	G42 A43 V44 F48 V49 T50	G42-F46 WeakPolarHBondContact O-CB 3.31Å; G42-F46 PolarHBondContact O-N 2.85Å; A43-F46 PolarHBondContact O-N 3.36Å; V44-F46 VanDerWaalsContact C-N 3.34Å; F46-F48 VanDerWaalsContact C-N 3.32Å; F46-F48 PolarHBondContact O-N 2.87Å; F46-V49 PolarHBondContact O-N 3.29Å; F46-T50 WeakPolarHBondContact O-CB 3.36Å; F46-T50 PolarHBondContact O-N 3.2Å; F46-T50 PolarHBondContact O-OG1 3.11Å
47	L	83.1	Confident	80.5	Confident	115 Å²	115	99 Å²	99	60%	0.602	53%	0.527	S	S	*	.	H	α-helix	trans	-59	-43	174	-94.2	160.8	0	0	0	111.9	A43 V44 T50 V51	A43-L47 WeakPolarHBondContact O-CB 3.39Å; A43-L47 PolarHBondContact O-N 3.47Å; V44-L47 PolarHBondContact O-N 3.01Å; L47-T50 PolarHBondContact O-N 3.43Å; L47-V51 WeakPolarHBondContact O-CG2 3.25Å; L47-V51 PolarHBondContact O-N 3.5Å
48	F	88.3	Confident	81	Confident	137 Å²	137	94.5 Å²	94.5	60%	0.601	52%	0.516	S	S	*	.	H	α-helix	trans	-63.1	-45.3	177.3	-172.3	-96.7	0	0	0	111.7	V44 L45 F46 T50 V51 V52	V44-F48 VanDerWaalsContact O-CB 3.31Å; V44-F48 WeakPolarHBondContact O-CB 3.47Å; V44-F48 PolarHBondContact O-N 2.7Å; L45-F48 PolarHBondContact O-N 3.36Å; F46-F48 VanDerWaalsContact C-N 3.32Å; F46-F48 PolarHBondContact O-N 2.87Å; F48-T50 VanDerWaalsContact C-N 3.3Å; F48-T50 PolarHBondContact O-N 3.27Å; F48-V51 PolarHBondContact O-N 3.24Å; F48-V52 HydrophobicContact CD1-CG2 4.07Å; F48-V52 HydrophobicContact CE1-CG2 3.76Å; F48-V52 HydrophobicContact CZ-CG2 4.09Å; F48-V52 WeakPolarHBondContact O-CB 3.41Å; F48-V52 VanDerWaalsContact O-CG2 3.29Å; F48-V52 WeakPolarHBondContact O-CG2 3.5Å; F48-V52 PolarHBondContact O-N 2.87Å
49	V	88.4	Confident	81.3	Confident	74 Å²	74	91.9 Å²	91.9	45%	0.448	51%	0.509	S	S	.	.	H	α-helix	trans	-61.3	-40.6	174	170.5	0	0	0	0	110.7	L45 F46 V52 V53	L45-V49 WeakPolarHBondContact O-CB 3.22Å; L45-V49 VanDerWaalsContact O-CG2 3.28Å; L45-V49 WeakPolarHBondContact O-CG2 3.37Å; L45-V49 PolarHBondContact O-N 3.34Å; F46-V49 PolarHBondContact O-N 3.29Å; V49-V52 PolarHBondContact O-N 2.99Å; V49-V53 HydrophobicContact CG1-CG2 4.25Å; V49-V53 WeakPolarHBondContact O-CB 3.34Å; V49-V53 VanDerWaalsContact O-CG2 3.23Å; V49-V53 WeakPolarHBondContact O-CG2 3.38Å; V49-V53 PolarHBondContact O-N 2.93Å
50	T	82.4	Confident	81.4	Confident	51 Å²	51	91.5 Å²	91.5	31%	0.313	50%	0.501	S	S	.	.	H	α-helix	trans	-66.2	-40	178.9	-39.1	0	0	0	0	111.4	F46 L47 F48 V53 N54	F46-T50 WeakPolarHBondContact O-CB 3.36Å; F46-T50 PolarHBondContact O-N 3.2Å; F46-T50 PolarHBondContact O-OG1 3.11Å; L47-T50 PolarHBondContact O-N 3.43Å; F48-T50 VanDerWaalsContact C-N 3.3Å; F48-T50 PolarHBondContact O-N 3.27Å; T50-V53 PolarHBondContact O-N 3.42Å; T50-N54 WeakPolarHBondContact O-CB 3.36Å; T50-N54 PolarHBondContact O-N 2.82Å; T50-N54 PolarHBondContact O-ND2 3.2Å
51	V	86.9	Confident	81.2	Confident	74 Å²	74	89.6 Å²	89.6	45%	0.448	50%	0.499	S	S	.	.	H	α-helix	trans	-66.1	-43.5	174.4	170.3	0	0	0	0	110.8	L47 F48 V53 N54 I55	L47-V51 WeakPolarHBondContact O-CG2 3.25Å; L47-V51 PolarHBondContact O-N 3.5Å; F48-V51 PolarHBondContact O-N 3.24Å; V51-V53 VanDerWaalsContact C-N 3.34Å; V51-V53 PolarHBondContact O-N 2.81Å; V51-N54 PolarHBondContact O-N 3.41Å; V51-I55 HydrophobicContact CG1-CD1 3.68Å; V51-I55 HydrophobicContact CG1-CG1 4.3Å; V51-I55 WeakPolarHBondContact O-CB 3.35Å; V51-I55 VanDerWaalsContact O-CG1 3.24Å; V51-I55 WeakPolarHBondContact O-CG1 3.24Å; V51-I55 PolarHBondContact O-N 3.49Å
52	V	87.8	Confident	80.8	Confident	71 Å²	71	94.8 Å²	94.8	43%	0.43	51%	0.506	S	S	.	.	H	α-helix	trans	-63.9	-40.4	176.2	170.9	0	0	0	0	111.2	F48 V49 I55 K56	F48-V52 HydrophobicContact CD1-CG2 4.07Å; F48-V52 HydrophobicContact CE1-CG2 3.76Å; F48-V52 HydrophobicContact CZ-CG2 4.09Å; F48-V52 WeakPolarHBondContact O-CB 3.41Å; F48-V52 VanDerWaalsContact O-CG2 3.29Å; F48-V52 WeakPolarHBondContact O-CG2 3.5Å; F48-V52 PolarHBondContact O-N 2.87Å; V49-V52 PolarHBondContact O-N 2.99Å; V52-I55 PolarHBondContact O-N 2.9Å; V52-K56 WeakPolarHBondContact O-CB 3.46Å; V52-K56 PolarHBondContact O-N 3.08Å
53	V	86.2	Confident	80.1	Confident	78 Å²	78	100.5 Å²	100.5	47%	0.473	52%	0.516	S	S	.	.	H	α-helix	trans	-66.4	-42.5	175.2	170	0	0	0	0	110.8	V49 T50 V51 K56 L57	V49-V53 HydrophobicContact CG1-CG2 4.25Å; V49-V53 WeakPolarHBondContact O-CB 3.34Å; V49-V53 VanDerWaalsContact O-CG2 3.23Å; V49-V53 WeakPolarHBondContact O-CG2 3.38Å; V49-V53 PolarHBondContact O-N 2.93Å; T50-V53 PolarHBondContact O-N 3.42Å; V51-V53 VanDerWaalsContact C-N 3.34Å; V51-V53 PolarHBondContact O-N 2.81Å; V53-K56 CarbonylContact O-C 3.6Å; V53-K56 PolarHBondContact O-N 3.28Å; V53-L57 VanDerWaalsContact O-CB 3.31Å; V53-L57 WeakPolarHBondContact O-CB 3.12Å; V53-L57 PolarHBondContact O-N 3.05Å
54	N	76.8	Confident	79.5	Confident	84 Å²	84	101.5 Å²	101.5	45%	0.449	52%	0.516	S	S	.	.	H	α-helix	trans	-67	-39.2	175.9	-80.3	-27.8	0	0	0	112.2	T50 V51 L57 I58	T50-N54 WeakPolarHBondContact O-CB 3.36Å; T50-N54 PolarHBondContact O-N 2.82Å; T50-N54 PolarHBondContact O-ND2 3.2Å; V51-N54 PolarHBondContact O-N 3.41Å; N54-L57 PolarHBondContact O-N 3.07Å; N54-I58 WeakPolarHBondContact O-CB 3.31Å; N54-I58 WeakPolarHBondContact O-CD1 3.5Å; N54-I58 WeakPolarHBondContact O-CG1 3.29Å; N54-I58 PolarHBondContact O-N 3Å
55	I	83.9	Confident	78.2	Confident	89 Å²	89	99.3 Å²	99.3	46%	0.456	51%	0.509	S	S	.	.	H	α-helix	trans	-65	-42.7	173.6	-71.2	170.4	0	0	0	109.9	V51 V52 L57 I58 L59	V51-I55 HydrophobicContact CG1-CD1 3.68Å; V51-I55 HydrophobicContact CG1-CG1 4.3Å; V51-I55 WeakPolarHBondContact O-CB 3.35Å; V51-I55 VanDerWaalsContact O-CG1 3.24Å; V51-I55 WeakPolarHBondContact O-CG1 3.24Å; V51-I55 PolarHBondContact O-N 3.49Å; V52-I55 PolarHBondContact O-N 2.9Å; I55-L57 VanDerWaalsContact C-N 3.34Å; I55-I58 PolarHBondContact O-N 3.06Å; I55-L59 HydrophobicContact CG2-CD1 3.8Å; I55-L59 HydrophobicContact CG2-CG 4.31Å; I55-L59 WeakPolarHBondContact O-CB 3.41Å; I55-L59 VanDerWaalsContact O-CG 3.27Å; I55-L59 WeakPolarHBondContact O-CG 3.5Å; I55-L59 PolarHBondContact O-N 3.48Å
56	K	80.3	Confident	76.8	Confident	128 Å²	128	99.3 Å²	99.3	56%	0.557	51%	0.509	S	S	*	.	H	α-helix	trans	-63.9	-40.6	175.1	-172.3	179.9	176.9	-176.1	0	111.2	V52 V53 L59 D60	V52-K56 WeakPolarHBondContact O-CB 3.46Å; V52-K56 PolarHBondContact O-N 3.08Å; V53-K56 CarbonylContact O-C 3.6Å; V53-K56 PolarHBondContact O-N 3.28Å; K56-L59 PolarHBondContact O-N 3.07Å; K56-D60 VanDerWaalsContact O-CB 3.29Å; K56-D60 WeakPolarHBondContact O-CB 3.48Å; K56-D60 PolarHBondContact O-N 3.29Å
57	L	77.1	Confident	75.4	Confident	106 Å²	106	97.1 Å²	97.1	56%	0.555	50%	0.501	S	S	*	.	H	α-helix	trans	-63.2	-45.8	175.7	-155.5	94.1	0	0	0	110	V53 N54 I55 L59 D60 T61	V53-L57 VanDerWaalsContact O-CB 3.31Å; V53-L57 WeakPolarHBondContact O-CB 3.12Å; V53-L57 PolarHBondContact O-N 3.05Å; N54-L57 PolarHBondContact O-N 3.07Å; I55-L57 VanDerWaalsContact C-N 3.34Å; L57-L59 VanDerWaalsContact C-N 3.35Å; L57-L59 PolarHBondContact O-N 2.04Å; L57-D60 PolarHBondContact O-N 2.86Å; L57-T61 WeakPolarHBondContact O-CB 3.44Å; L57-T61 PolarHBondContact O-N 3.38Å; L57-T61 PolarHBondContact O-OG1 2.83Å
58	I	75.4	Confident	74.1	Confident	98 Å²	98	96.2 Å²	96.2	50%	0.503	50%	0.497	S	S	.	.	H	α-helix	trans	-63.6	-39.9	176.5	-69.3	163.7	0	0	0	111.2	N54 I55 R62	N54-I58 WeakPolarHBondContact O-CB 3.31Å; N54-I58 WeakPolarHBondContact O-CD1 3.5Å; N54-I58 WeakPolarHBondContact O-CG1 3.29Å; N54-I58 PolarHBondContact O-N 3Å; I55-I58 PolarHBondContact O-N 3.06Å; I58-R62 WeakPolarHBondContact O-CB 3.34Å; I58-R62 WeakPolarHBondContact O-CG 3.03Å; I58-R62 PolarHBondContact O-N 3.38Å
59	L	74.1	Confident	72.3	Confident	100 Å²	100	91.8 Å²	91.8	52%	0.524	49%	0.485	S	S	.	.	H	α-helix	trans	-70.1	-40.1	176.6	-74.8	171.3	0	0	0	112.1	I55 K56 L57 R62 R63	I55-L59 HydrophobicContact CG2-CD1 3.8Å; I55-L59 HydrophobicContact CG2-CG 4.31Å; I55-L59 WeakPolarHBondContact O-CB 3.41Å; I55-L59 VanDerWaalsContact O-CG 3.27Å; I55-L59 WeakPolarHBondContact O-CG 3.5Å; I55-L59 PolarHBondContact O-N 3.48Å; K56-L59 PolarHBondContact O-N 3.07Å; L57-L59 VanDerWaalsContact C-N 3.35Å; L57-L59 PolarHBondContact O-N 2.04Å; L59-R62 PolarHBondContact O-N 2.86Å; L59-R63 VanDerWaalsContact O-CB 3.24Å; L59-R63 WeakPolarHBondContact O-CB 3.4Å; L59-R63 PolarHBondContact O-N 3.19Å
60	D	72.8	Confident	70.3	Confident	73 Å²	73	89.9 Å²	89.9	39%	0.39	48%	0.477	S	S	.	.	H	α-helix	trans	-69.4	-35.5	174.6	-76.3	-17.2	0	0	0	110.3	K56 L57 R63 V64	K56-D60 VanDerWaalsContact O-CB 3.29Å; K56-D60 WeakPolarHBondContact O-CB 3.48Å; K56-D60 PolarHBondContact O-N 3.29Å; L57-D60 PolarHBondContact O-N 2.86Å; D60-R63 PolarHBondContact O-N 3.3Å; D60-V64 WeakPolarHBondContact O-CB 3.24Å; D60-V64 VanDerWaalsContact O-CG2 3.24Å; D60-V64 WeakPolarHBondContact O-CG2 3.45Å; D60-V64 PolarHBondContact O-N 3.48Å
61	T	68.4	Low	68.6	Low	88 Å²	88	92.9 Å²	92.9	54%	0.54	49%	0.492	S	S	.	.	H	α-helix	trans	-69.1	-36.6	173.8	-39.9	0	0	0	0	111	L57 A65	L57-T61 WeakPolarHBondContact O-CB 3.44Å; L57-T61 PolarHBondContact O-N 3.38Å; L57-T61 PolarHBondContact O-OG1 2.83Å; T61-A65 VanDerWaalsContact O-CB 3.28Å; T61-A65 WeakPolarHBondContact O-CB 3.47Å; T61-A65 PolarHBondContact O-N 3.3Å
62	R	67.9	Low	66.5	Low	168 Å²	168	96.6 Å²	96.6	63%	0.634	50%	0.504	S	S	*	.	H	α-helix	trans	-68.8	-35.7	171.2	-83.5	-173.9	173.2	-174.8	-3	112.3	I58 L59 A65 D66	I58-R62 WeakPolarHBondContact O-CB 3.34Å; I58-R62 WeakPolarHBondContact O-CG 3.03Å; I58-R62 PolarHBondContact O-N 3.38Å; L59-R62 PolarHBondContact O-N 2.86Å; R62-A65 CarbonylContact O-C 3.57Å; R62-A65 PolarHBondContact O-N 2.9Å; R62-D66 VanDerWaalsContact O-CB 3.31Å; R62-D66 WeakPolarHBondContact O-CB 3.33Å; R62-D66 VanDerWaalsContact O-CG 3.28Å; R62-D66 PolarHBondContact O-N 2.93Å
63	R	67.7	Low	64.1	Low	158 Å²	158	100.4 Å²	100.4	60%	0.596	52%	0.517	S	S	*	.	H	α-helix	trans	-72.3	-36	178	-162.7	177.4	-175.3	165.5	4.3	111.8	L59 D60 D66 E67	L59-R63 VanDerWaalsContact O-CB 3.24Å; L59-R63 WeakPolarHBondContact O-CB 3.4Å; L59-R63 PolarHBondContact O-N 3.19Å; D60-R63 PolarHBondContact O-N 3.3Å; R63-D66 PolarHBondContact O-N 3.23Å; R63-E67 VanDerWaalsContact O-CB 3.25Å; R63-E67 WeakPolarHBondContact O-CB 3.01Å; R63-E67 VanDerWaalsContact O-CG 3.28Å; R63-E67 WeakPolarHBondContact O-CG 3.38Å; R63-E67 PolarHBondContact O-N 3.21Å
64	V	65.9	Low	61.7	Low	75 Å²	75	106.5 Å²	106.5	46%	0.455	53%	0.533	S	S	.	.	H	α-helix	trans	-68.4	-38.2	169	172.5	0	0	0	0	110.5	D60 E67 D68	D60-V64 WeakPolarHBondContact O-CB 3.24Å; D60-V64 VanDerWaalsContact O-CG2 3.24Å; D60-V64 WeakPolarHBondContact O-CG2 3.45Å; D60-V64 PolarHBondContact O-N 3.48Å; V64-E67 PolarHBondContact O-N 3.15Å; V64-D68 VanDerWaalsContact O-CB 3.27Å; V64-D68 WeakPolarHBondContact O-CB 3.32Å; V64-D68 VanDerWaalsContact O-CG 3.24Å; V64-D68 PolarHBondContact O-N 2.88Å
65	A	57	Low	59.7	Low	54 Å²	54	111.3 Å²	111.3	45%	0.446	55%	0.553	S	S	.	*	H	α-helix	trans	-68.5	-32.7	172.9	0	0	0	0	0	113.1	T61 R62 A69	T61-A65 VanDerWaalsContact O-CB 3.28Å; T61-A65 WeakPolarHBondContact O-CB 3.47Å; T61-A65 PolarHBondContact O-N 3.3Å; R62-A65 CarbonylContact O-C 3.57Å; R62-A65 PolarHBondContact O-N 2.9Å; A65-A69 WeakPolarHBondContact O-CB 3.49Å; A65-A69 PolarHBondContact O-N 3.4Å
66	D	57.6	Low	57.5	Low	114 Å²	114	113.8 Å²	113.8	61%	0.61	57%	0.567	S	S	*	*	H	α-helix	trans	-78.2	-29.8	174	-76.3	-18.5	0	0	0	111.5	R62 R63 A70	R62-D66 VanDerWaalsContact O-CB 3.31Å; R62-D66 WeakPolarHBondContact O-CB 3.33Å; R62-D66 VanDerWaalsContact O-CG 3.28Å; R62-D66 PolarHBondContact O-N 2.93Å; R63-D66 PolarHBondContact O-N 3.23Å; D66-A70 WeakPolarHBondContact O-CB 3.3Å; D66-A70 PolarHBondContact O-N 3.09Å
67	E	56.1	Low	55.1	Low	104 Å²	104	113.4 Å²	113.4	49%	0.486	58%	0.575	S	S	.	*	H	α-helix	trans	-75	-37.6	171.3	-79.1	172.7	-177.8	0	0	111	R63 V64 A69 A70 D71	R63-E67 VanDerWaalsContact O-CB 3.25Å; R63-E67 WeakPolarHBondContact O-CB 3.01Å; R63-E67 VanDerWaalsContact O-CG 3.28Å; R63-E67 WeakPolarHBondContact O-CG 3.38Å; R63-E67 PolarHBondContact O-N 3.21Å; V64-E67 PolarHBondContact O-N 3.15Å; E67-A69 VanDerWaalsContact C-N 3.34Å; E67-A70 PolarHBondContact O-N 2.87Å; E67-D71 VanDerWaalsContact O-CB 3.28Å; E67-D71 WeakPolarHBondContact O-CB 3.24Å; E67-D71 PolarHBondContact O-N 3.46Å
68	D	54.3	Low	53.1	Low	97 Å²	97	114.6 Å²	114.6	52%	0.519	59%	0.586	S	S	.	*	H	α-helix	trans	-68.2	-32.7	169.8	-74.7	-26.9	0	0	0	111.4	V64 Q72	V64-D68 VanDerWaalsContact O-CB 3.27Å; V64-D68 WeakPolarHBondContact O-CB 3.32Å; V64-D68 VanDerWaalsContact O-CG 3.24Å; V64-D68 PolarHBondContact O-N 2.88Å; D68-Q72 WeakPolarHBondContact O-CB 3.27Å; D68-Q72 VanDerWaalsContact O-CG 3.28Å; D68-Q72 WeakPolarHBondContact O-CG 3.17Å; D68-Q72 PolarHBondContact O-N 2.87Å; D68-Q72 VanDerWaalsContact O-N 3.12Å
69	A	51	Low	51.4	Low	43 Å²	43	115.2 Å²	115.2	36%	0.355	60%	0.597	S	S	.	*	H	α-helix	trans	-75.8	-32.9	172.5	0	0	0	0	0	112.5	A65 E67 Q72 E73	A65-A69 WeakPolarHBondContact O-CB 3.49Å; A65-A69 PolarHBondContact O-N 3.4Å; E67-A69 VanDerWaalsContact C-N 3.34Å; A69-Q72 PolarHBondContact O-N 3.13Å; A69-E73 PolarHBondContact O-N 2.86Å
70	A	46.4	Very low	49.7	Very low	34 Å²	34	118.2 Å²	118.2	28%	0.281	61%	0.613	S	S	.	*	H	α-helix	trans	-77.5	-34.3	175.5	0	0	0	0	0	112.3	D66 E67 Q72 E73 Y74	D66-A70 WeakPolarHBondContact O-CB 3.3Å; D66-A70 PolarHBondContact O-N 3.09Å; E67-A70 PolarHBondContact O-N 2.87Å; A70-Q72 VanDerWaalsContact C-N 3.28Å; A70-E73 CarbonylContact O-C 3.59Å; A70-E73 WeakPolarHBondContact O-CA 3.41Å; A70-E73 PolarHBondContact O-N 2.63Å; A70-E73 VanDerWaalsContact O-N 3.08Å; A70-Y74 WeakPolarHBondContact O-CD2 3.44Å; A70-Y74 PolarHBondContact O-N 2.85Å
71	D	46.2	Very low	47.8	Very low	115 Å²	115	123.2 Å²	123.2	62%	0.615	64%	0.636	S	S	*	*	H	α-helix	trans	-70.4	-26.6	170.3	-80.7	-15.4	0	0	0	111	E67	E67-D71 VanDerWaalsContact O-CB 3.28Å; E67-D71 WeakPolarHBondContact O-CB 3.24Å; E67-D71 PolarHBondContact O-N 3.46Å
72	Q	44.1	Very low	46.2	Very low	151 Å²	151	128.1 Å²	128.1	71%	0.706	65%	0.653	S	S	*	*	H	α-helix	trans	-73.3	-27	164.5	-79.7	179.7	-4.1	0	0	113.4	D68 A69 A70	D68-Q72 WeakPolarHBondContact O-CB 3.27Å; D68-Q72 VanDerWaalsContact O-CG 3.28Å; D68-Q72 WeakPolarHBondContact O-CG 3.17Å; D68-Q72 PolarHBondContact O-N 2.87Å; D68-Q72 VanDerWaalsContact O-N 3.12Å; A69-Q72 PolarHBondContact O-N 3.13Å; A70-Q72 VanDerWaalsContact C-N 3.28Å
73	E	37.1	Very low	44.4	Very low	152 Å²	152	126.1 Å²	126.1	71%	0.71	66%	0.66	S	S	*	*	H	α-helix	trans	-83.8	-20.8	176.5	-113	179.3	173.3	0	0	113.3	A69 A70	A69-E73 PolarHBondContact O-N 2.86Å; A70-E73 CarbonylContact O-C 3.59Å; A70-E73 WeakPolarHBondContact O-CA 3.41Å; A70-E73 PolarHBondContact O-N 2.63Å; A70-E73 VanDerWaalsContact O-N 3.08Å
74	Y	35	Very low	42.7	Very low	206 Å²	206	123.9 Å²	123.9	81%	0.808	67%	0.666	S	S	*	*	H	α-helix	trans	-88.6	-14	179.4	-97.4	-83	0	0	0	114.9	A70 D76	A70-Y74 WeakPolarHBondContact O-CD2 3.44Å; A70-Y74 PolarHBondContact O-N 2.85Å; Y74-D76 VanDerWaalsContact C-N 3.3Å
75	E	36.1	Very low	41.4	Very low	184 Å²	184	132 Å²	132	86%	0.86	69%	0.688	S	S	*	*	S	Bend	trans	-82.3	-5.9	167.8	-82.7	-156.5	151.7	0	0	113.5
76	D	36.7	Very low	40.4	Very low	141 Å²	141	137.3 Å²	137.3	75%	0.754	70%	0.697	S	S	*	*			trans	-115.2	47.3	-167.1	-121.5	-1.7	0	0	0	114.4	Y74	Y74-D76 VanDerWaalsContact C-N 3.3Å
77	V	31.1	Very low	39.1	Very low	121 Å²	121	136.3 Å²	136.3	73%	0.733	70%	0.696	S	S	*	*			trans	-144.5	87.8	163.9	-166	0	0	0	0	115.4
78	V	34.8	Very low	38.3	Very low	130 Å²	130	137.3 Å²	137.3	79%	0.788	72%	0.723	S	S	*	*			trans	81.4	144.1	130.7	179.7	0	0	0	0	120.1
79	P	39	Very low	38.1	Very low	111 Å²	111	137.3 Å²	137.3	72%	0.721	73%	0.73	S	S	*	*			cis	-130.8	148.8	18.5	21.9	3.1	0	0	0	119.3
80	N	37.9	Very low	38	Very low	163 Å²	163	138.4 Å²	138.4	87%	0.872	75%	0.746	S	S	*	*			trans	41	80.9	146.2	-96.4	4.8	0	0	0	117.9
81	M	33.3	Very low	38.4	Very low	178 Å²	178	142.9 Å²	142.9	88%	0.877	76%	0.756	S	S	*	*			trans	-134.6	112.1	137.5	-155.4	162.9	145.3	0	0	106.2	T83	M81-T83 PolarHBondContact O-N 2.76Å
82	E	34.8	Very low	40	Very low	192 Å²	192	144.6 Å²	144.6	90%	0.897	76%	0.758	S	S	*	*			trans	-53.6	102.9	179.6	-70.5	176.8	147.8	0	0	110.1
83	T	30	Very low	42.3	Very low	126 Å²	126	139.3 Å²	139.3	77%	0.773	74%	0.736	S	S	*	*			trans	-93.1	131.1	156	38.6	0	0	0	0	107.7	M81 R85	M81-T83 PolarHBondContact O-N 2.76Å; T83-R85 PolarHBondContact O-N 2.78Å
84	P	32.6	Very low	45	Very low	111 Å²	111	132.4 Å²	132.4	72%	0.721	70%	0.704	S	S	*	*			trans	-73.5	122.7	-158.2	-9.4	25.4	0	0	0	110.1	R86	P84-R86 PolarHBondContact O-N 2.71Å
85	R	37.3	Very low	47.9	Very low	245 Å²	245	126.3 Å²	126.3	93%	0.925	69%	0.685	S	S	*	*			trans	-55.8	100.7	142.9	-80.6	-177.9	174.6	168	-0.7	106	T83 P87	T83-R85 PolarHBondContact O-N 2.78Å; R85-P87 WeakPolarHBondContact O-CD 3.31Å
86	R	36.1	Very low	50.9	Low	165 Å²	165	117.6 Å²	117.6	62%	0.623	64%	0.644	S	S	*	*			trans	-63.4	122.3	170.1	-92.1	-174.5	174.4	153.5	-2.3	107.1	P84	P84-R86 PolarHBondContact O-N 2.71Å
87	P	32.1	Very low	53.9	Low	93 Å²	93	113.7 Å²	113.7	60%	0.604	62%	0.621	S	S	*	*			trans	-60.4	158.7	168	-5.8	19.7	0	0	0	108.7	R85 S89	R85-P87 WeakPolarHBondContact O-CD 3.31Å; P87-S89 PolarHBondContact O-N 3.06Å
88	A	39.1	Very low	57.1	Low	125 Å²	125	108 Å²	108	100%	1.033	59%	0.587	S	S	*	*	S	Bend	trans	-67.8	42.8	160.3	0	0	0	0	0	111.8
89	S	50.4	Low	60.1	Low	97 Å²	97	104.3 Å²	104.3	68%	0.678	56%	0.559	S	S	*	*	S	Bend	trans	-151	105.6	177.9	171.7	0	0	0	0	106.1	P87	P87-S89 PolarHBondContact O-N 3.06Å
90	G	47.3	Very low	63	Low	67 Å²	67	99 Å²	99	69%	0.691	53%	0.525	S	S	*	.			trans	146	-16.1	160.2	0	0	0	0	0	120.2	K92	G90-K92 PolarHBondContact O-N 3.46Å; G90-K92 VanDerWaalsContact O-N 3.15Å
91	R	55.7	Low	65.8	Low	128 Å²	128	91.4 Å²	91.4	48%	0.483	48%	0.484	S	S	.	.			trans	-83.2	98.2	174	-105.5	-171.3	172.2	161.7	4.1	109.9	D110	R91-D110 IonicContact CZ-OD2 3.29Å; R91-D110 VanDerWaalsContact CZ-OD2 3.29Å; R91-D110 IonicContact NE-OD2 3.73Å; R91-D110 IonicContact NH1-OD2 2.85Å; R91-D110 PolarHBondContact NH1-OD2 2.98Å
92	K	79.5	Confident	68.9	Low	151 Å²	151	89.7 Å²	89.7	66%	0.657	47%	0.468	S	S	*	.			trans	-90.2	-2.9	172.3	-68.2	-172.1	178.1	-176.1	0	113	G90 Q240 L241	G90-K92 PolarHBondContact O-N 3.46Å; G90-K92 VanDerWaalsContact O-N 3.15Å; K92-Q240 CarbonylContact O-C 3.47Å; K92-Q240 WeakPolarHBondContact O-CA 3.35Å; K92-L241 PolarHBondContact O-N 2.87Å
93	V	91.8	Very high	71.9	Confident	40 Å²	40	84.3 Å²	84.3	24%	0.242	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	139.4	-168.1	-171.4	0	0	0	0	110.1	E238 V239 Q240	V93-E238 HydrophobicContact CG1-CB 3.48Å; V93-E238 VanDerWaalsContact CG1-CB 3.48Å; V93-E238 HydrophobicContact CG1-CG 3.73Å; V93-V239 CarbonylContact C-O 3.58Å; V93-V239 VanDerWaalsContact CA-O 3.29Å; V93-V239 WeakPolarHBondContact CA-O 3.44Å; V93-Q240 HydrophobicContact CG2-CG 4.25Å
94	L	94.3	Very high	75.1	Confident	7 Å²	7	81.3 Å²	81.3	4%	0.037	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	137.2	170.7	-63.4	171.1	0	0	0	110.2	I96 V109 D110 G136 E238 V239 L241	L94-I96 HydrophobicContact CB-CG1 4.44Å; L94-V109 HydrophobicContact CD1-CG1 4.47Å; L94-V109 HydrophobicContact CD2-CG1 4.39Å; L94-D110 WeakPolarHBondContact CA-OD1 3.28Å; L94-G136 VanDerWaalsContact CD1-CA 3.47Å; L94-E238 CarbonylContact O-C 3.53Å; L94-E238 WeakPolarHBondContact O-CA 3.47Å; L94-V239 HydrophobicContact CB-CB 4.35Å; L94-V239 PolarHBondContact N-O 2.8Å; L94-V239 PolarHBondContact O-N 2.9Å; L94-L241 HydrophobicContact CD1-CD2 3.47Å; L94-L241 VanDerWaalsContact CD1-CD2 3.47Å; L94-L241 HydrophobicContact CD1-CG 4.33Å; L94-L241 HydrophobicContact CD2-CD1 4.18Å; L94-L241 HydrophobicContact CD2-CD2 4.14Å; L94-L241 HydrophobicContact CD2-CG 4.38Å; L94-L241 HydrophobicContact CG-CD1 4.25Å; L94-L241 HydrophobicContact CG-CD2 3.59Å; L94-L241 HydrophobicContact CG-CG 3.91Å
95	D	96.9	Very high	78.2	Confident	77 Å²	77	76 Å²	76	41%	0.412	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	120.9	171.8	-63.8	-36.6	0	0	0	109.4	V109 D110	D95-V109 CarbonylContact O-C 3.49Å; D95-V109 WeakPolarHBondContact O-CA 3.34Å; D95-D110 PolarHBondContact N-OD1 3.25Å; D95-D110 PolarHBondContact O-N 2.97Å
96	I	98.3	Very high	81.1	Confident	2 Å²	2	66.6 Å²	66.6	1%	0.01	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	125.8	-178.9	-56.4	-170.5	0	0	0	110.4	L94 V98 A108 L131 I169 V208 K236 T237 V239	L94-I96 HydrophobicContact CB-CG1 4.44Å; I96-V98 HydrophobicContact CG2-CG2 3.76Å; I96-A108 WeakPolarHBondContact CA-O 3.22Å; I96-L131 HydrophobicContact CD1-CD1 3.94Å; I96-I169 HydrophobicContact CD1-CD1 4.12Å; I96-I169 HydrophobicContact CG2-CD1 3.91Å; I96-V208 HydrophobicContact CD1-CG1 4.17Å; I96-V208 HydrophobicContact CG2-CG2 4.12Å; I96-K236 WeakPolarHBondContact O-CA 3.42Å; I96-T237 HydrophobicContact CB-CG2 4.43Å; I96-T237 PolarHBondContact N-O 2.89Å; I96-T237 PolarHBondContact O-N 3.33Å; I96-V239 HydrophobicContact CD1-CB 4.1Å; I96-V239 HydrophobicContact CD1-CG2 3.45Å; I96-V239 VanDerWaalsContact CD1-CG2 3.45Å; I96-V239 HydrophobicContact CG1-CG2 4.12Å
97	E	98.6	Very high	84.1	Confident	59 Å²	59	58.8 Å²	58.8	28%	0.276	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	130	170.8	-51.5	-162.6	179.2	0	0	110	Y106 V107 A108 L234 L235 K236	E97-Y106 HydrophobicContact CB-CE2 4.37Å; E97-V107 CarbonylContact O-C 3.48Å; E97-V107 VanDerWaalsContact O-CA 3.28Å; E97-V107 WeakPolarHBondContact O-CA 3.32Å; E97-A108 HydrophobicContact CB-CB 4.32Å; E97-A108 PolarHBondContact N-O 2.83Å; E97-A108 PolarHBondContact O-N 2.9Å; E97-L234 HydrophobicContact CB-CD1 4.49Å; E97-L235 CarbonylContact C-O 3.48Å; E97-L235 WeakPolarHBondContact CA-O 3.48Å; E97-K236 VanDerWaalsContact CD-CE 3.44Å; E97-K236 HydrophobicContact CG-CD 4.26Å; E97-K236 HydrophobicContact CG-CG 4.07Å; E97-K236 WeakPolarHBondContact OE1-CE 3.32Å; E97-K236 IonicContact OE1-NZ 2.78Å; E97-K236 PolarHBondContact OE1-NZ 2.75Å; E97-K236 VanDerWaalsContact OE2-CE 3.26Å; E97-K236 WeakPolarHBondContact OE2-CE 3.44Å; E97-K236 IonicContact OE2-NZ 3.78Å; E97-K236 PolarHBondContact OE2-NZ 2.76Å; E97-K236 VanDerWaalsContact OE2-NZ 3.1Å
98	V	98.8	Very high	87.2	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	125.8	-178.7	-170.5	0	0	0	0	108.8	I96 V107 I169 T171 T206 V208 L234 L235	I96-V98 HydrophobicContact CG2-CG2 3.76Å; V98-V107 HydrophobicContact CG1-CG2 4.09Å; V98-I169 HydrophobicContact CB-CG2 4.39Å; V98-I169 HydrophobicContact CG1-CG2 3.89Å; V98-I169 HydrophobicContact CG2-CG2 3.53Å; V98-T171 HydrophobicContact CG1-CG2 4.45Å; V98-T206 HydrophobicContact CB-CG2 4.15Å; V98-T206 HydrophobicContact CG1-CG2 3.59Å; V98-V208 HydrophobicContact CG2-CG2 3.6Å; V98-L234 WeakPolarHBondContact O-CA 3.15Å; V98-L235 HydrophobicContact CB-CB 4.34Å; V98-L235 PolarHBondContact N-O 3.39Å; V98-L235 PolarHBondContact O-N 2.79Å
99	Y	98.8	Very high	90	Very high	53 Å²	53	49.3 Å²	49.3	21%	0.208	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	132.4	-179.3	-177.5	-106.1	0	0	0	111.3	S101 K104 V105 Y106 T171 P232 V233 L234	Y99-S101 WeakPolarHBondContact CE1-OG 3.15Å; Y99-K104 HydrophobicContact CD1-CG 4.33Å; Y99-K104 WeakPolarHBondContact CD1-O 3.31Å; Y99-K104 HydrophobicContact CE1-CB 4.14Å; Y99-K104 HydrophobicContact CE1-CG 4.23Å; Y99-K104 WeakPolarHBondContact CE1-O 3.47Å; Y99-V105 WeakPolarHBondContact O-CA 3.39Å; Y99-Y106 AromaticContact CD1-CD1 3.7Å; Y99-Y106 HydrophobicContact CD1-CD1 3.7Å; Y99-Y106 AromaticContact CD1-CE1 3.85Å; Y99-Y106 HydrophobicContact CD1-CE1 3.85Å; Y99-Y106 HydrophobicContact CD2-CE1 4.12Å; Y99-Y106 AromaticContact CG-CD1 3.7Å; Y99-Y106 HydrophobicContact CG-CD1 3.7Å; Y99-Y106 AromaticContact CG-CE1 3.46Å; Y99-Y106 HydrophobicContact CG-CE1 3.46Å; Y99-Y106 VanDerWaalsContact CG-CE1 3.46Å; Y99-Y106 PolarHBondContact N-O 3.5Å; Y99-Y106 PolarHBondContact O-N 3.28Å; Y99-T171 PolarHBondContact O-OG1 3.43Å; Y99-P232 HydrophobicContact CE2-CB 3.83Å; Y99-P232 WeakPolarHBondContact OH-CB 3.28Å; Y99-V233 WeakPolarHBondContact CA-O 3.44Å; Y99-V233 WeakPolarHBondContact CD2-O 3.1Å; Y99-L234 HydrophobicContact CD2-CB 4.19Å; Y99-L234 HydrophobicContact CD2-CD1 4.39Å
100	S	98.8	Very high	92.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	130.2	174.3	174.7	0	0	0	0	109.6	T171 V172 W205 P232 V233	S100-T171 WeakPolarHBondContact CA-OG1 3.43Å; S100-T171 VanDerWaalsContact CB-OG1 3.27Å; S100-T171 WeakPolarHBondContact CB-OG1 3.13Å; S100-V172 WeakPolarHBondContact CB-O 3.28Å; S100-V172 PolarHBondContact OG-N 2.94Å; S100-V172 PolarHBondContact OG-O 2.76Å; S100-W205 VanDerWaalsContact CB-O 3.3Å; S100-W205 WeakPolarHBondContact CB-O 3.47Å; S100-W205 PolarHBondContact OG-N 2.76Å; S100-W205 VanDerWaalsContact OG-N 3.09Å; S100-W205 PolarHBondContact OG-O 3.12Å; S100-P232 WeakPolarHBondContact O-CA 3.44Å; S100-V233 PolarHBondContact N-O 3.34Å; S100-V233 PolarHBondContact O-N 2.92Å
101	S	98.5	Very high	94.3	Very high	4 Å²	4	47.2 Å²	47.2	3%	0.028	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-156.5	170.6	175.8	78.9	0	0	0	0	111.6	Y99 S103 K104 D174 M204	Y99-S101 WeakPolarHBondContact CE1-OG 3.15Å; S101-S103 VanDerWaalsContact C-N 3.28Å; S101-S103 PolarHBondContact O-N 2.96Å; S101-S103 PolarHBondContact OG-N 3.34Å; S101-K104 WeakPolarHBondContact CB-O 3.48Å; S101-K104 PolarHBondContact N-O 3.12Å; S101-K104 PolarHBondContact OG-N 3.16Å; S101-K104 PolarHBondContact OG-O 3.15Å; S101-D174 PolarHBondContact O-N 3.33Å; S101-M204 WeakPolarHBondContact CA-SD 3.41Å
102	R	97.5	Very high	96.2	Very high	141 Å²	141	45.5 Å²	45.5	53%	0.532	24%	0.243	S	C	.	.	S	Bend	trans	-51.1	-44.6	174.7	174.1	-179.8	178.8	-170.8	-2.3	113.1	D174 M204 W229	R102-D174 VanDerWaalsContact O-CA 3.31Å; R102-D174 WeakPolarHBondContact O-CA 3.48Å; R102-D174 WeakPolarHBondContact O-CB 3.43Å; R102-D174 PolarHBondContact O-N 2.68Å; R102-M204 PolarHBondContact N-SD 3.28Å; R102-W229 HydrophobicContact CB-CB 4.23Å; R102-W229 HydrophobicContact CB-CD2 4.32Å; R102-W229 HydrophobicContact CB-CG 3.86Å; R102-W229 VanDerWaalsContact CD-CD2 3.48Å; R102-W229 HydrophobicContact CG-CD2 3.78Å; R102-W229 HydrophobicContact CG-CE3 4.44Å; R102-W229 HydrophobicContact CG-CG 3.86Å; R102-W229 HydrophobicContact CG-CZ2 4.24Å; R102-W229 VanDerWaalsContact CZ-CH2 3.5Å
103	S	96.7	Very high	97.1	Very high	80 Å²	80	41.9 Å²	41.9	56%	0.559	23%	0.233	S	C	*	.	S	Bend	trans	-117.6	-11.3	-166.9	59.6	0	0	0	0	114.4	S101 K173	S101-S103 VanDerWaalsContact C-N 3.28Å; S101-S103 PolarHBondContact O-N 2.96Å; S101-S103 PolarHBondContact OG-N 3.34Å; S103-K173 WeakPolarHBondContact O-CE 3.46Å
104	K	97.6	Very high	97.3	Very high	62 Å²	62	41.2 Å²	41.2	27%	0.27	23%	0.229	S	C	.	.			trans	-145.7	138.8	-175.8	178.6	172.6	-175.6	165.4	0	111.8	Y99 S101 E116 D117 D118	Y99-K104 HydrophobicContact CD1-CG 4.33Å; Y99-K104 WeakPolarHBondContact CD1-O 3.31Å; Y99-K104 HydrophobicContact CE1-CB 4.14Å; Y99-K104 HydrophobicContact CE1-CG 4.23Å; Y99-K104 WeakPolarHBondContact CE1-O 3.47Å; S101-K104 WeakPolarHBondContact CB-O 3.48Å; S101-K104 PolarHBondContact N-O 3.12Å; S101-K104 PolarHBondContact OG-N 3.16Å; S101-K104 PolarHBondContact OG-O 3.15Å; K104-E116 VanDerWaalsContact CE-OE1 3.29Å; K104-E116 WeakPolarHBondContact CE-OE1 3.49Å; K104-E116 IonicContact NZ-OE1 2.72Å; K104-E116 PolarHBondContact NZ-OE1 3.47Å; K104-D117 WeakPolarHBondContact CA-O 3.4Å; K104-D118 HydrophobicContact CB-CB 4.3Å; K104-D118 HydrophobicContact CD-CB 4.31Å; K104-D118 HydrophobicContact CG-CB 4.19Å
105	V	98.3	Very high	97.4	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	149.2	162.1	-66.4	0	0	0	0	109.5	Y99 L115 D117 T171 V172 K173	Y99-V105 WeakPolarHBondContact O-CA 3.39Å; V105-L115 HydrophobicContact CG2-CD2 4.34Å; V105-D117 HydrophobicContact CG2-CB 3.96Å; V105-D117 PolarHBondContact N-O 3.24Å; V105-D117 PolarHBondContact O-N 2.93Å; V105-T171 HydrophobicContact CB-CG2 3.82Å; V105-T171 HydrophobicContact CG1-CG2 3.96Å; V105-T171 HydrophobicContact CG2-CG2 4.38Å; V105-V172 VanDerWaalsContact CG1-O 3.24Å; V105-V172 WeakPolarHBondContact CG1-O 3.11Å; V105-K173 HydrophobicContact CG1-CB 3.61Å; V105-K173 HydrophobicContact CG1-CG 4.21Å; V105-K173 HydrophobicContact CG2-CB 4.33Å; V105-K173 HydrophobicContact CG2-CD 4.37Å
106	Y	98.1	Very high	97.4	Very high	48 Å²	48	43.7 Å²	43.7	19%	0.188	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	156.8	165.5	76.4	-94.4	0	0	0	110.9	E97 Y99 L115 L234	E97-Y106 HydrophobicContact CB-CE2 4.37Å; Y99-Y106 AromaticContact CD1-CD1 3.7Å; Y99-Y106 HydrophobicContact CD1-CD1 3.7Å; Y99-Y106 AromaticContact CD1-CE1 3.85Å; Y99-Y106 HydrophobicContact CD1-CE1 3.85Å; Y99-Y106 HydrophobicContact CD2-CE1 4.12Å; Y99-Y106 AromaticContact CG-CD1 3.7Å; Y99-Y106 HydrophobicContact CG-CD1 3.7Å; Y99-Y106 AromaticContact CG-CE1 3.46Å; Y99-Y106 HydrophobicContact CG-CE1 3.46Å; Y99-Y106 VanDerWaalsContact CG-CE1 3.46Å; Y99-Y106 PolarHBondContact N-O 3.5Å; Y99-Y106 PolarHBondContact O-N 3.28Å; Y106-L115 CarbonylContact C-O 3.57Å; Y106-L115 WeakPolarHBondContact CA-O 3.4Å; Y106-L115 VanDerWaalsContact CB-O 3.26Å; Y106-L115 WeakPolarHBondContact CB-O 3.33Å; Y106-L234 VanDerWaalsContact OH-CD1 3.3Å; Y106-L234 WeakPolarHBondContact OH-CD1 3.44Å
107	V	98.6	Very high	97.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	129.5	170.7	-179.7	0	0	0	0	108.7	E97 V98 V109 T113 V114 L115 I129 I169 T171	E97-V107 CarbonylContact O-C 3.48Å; E97-V107 VanDerWaalsContact O-CA 3.28Å; E97-V107 WeakPolarHBondContact O-CA 3.32Å; V98-V107 HydrophobicContact CG1-CG2 4.09Å; V107-V109 HydrophobicContact CG1-CG2 4.49Å; V107-T113 CarbonylContact O-C 3.47Å; V107-V114 HydrophobicContact CB-CG2 3.97Å; V107-V114 HydrophobicContact CG1-CG2 3.78Å; V107-V114 WeakPolarHBondContact O-CG2 3.32Å; V107-V114 PolarHBondContact O-N 3.46Å; V107-L115 HydrophobicContact CB-CB 4.18Å; V107-L115 HydrophobicContact CG2-CB 4.41Å; V107-L115 HydrophobicContact CG2-CD2 4.19Å; V107-L115 PolarHBondContact N-O 3.46Å; V107-L115 PolarHBondContact O-N 2.96Å; V107-I129 HydrophobicContact CB-CD1 3.55Å; V107-I129 HydrophobicContact CG1-CD1 3.92Å; V107-I129 HydrophobicContact CG2-CD1 3.53Å; V107-I169 HydrophobicContact CG1-CD1 3.83Å; V107-I169 HydrophobicContact CG1-CG2 4.22Å; V107-I169 HydrophobicContact CG2-CG2 3.98Å; V107-T171 HydrophobicContact CG2-CG2 4.45Å
108	A	98.2	Very high	97	Very high	7 Å²	7	46.3 Å²	46.3	6%	0.058	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	138.5	172.4	0	0	0	0	0	110.6	I96 E97 T112	I96-A108 WeakPolarHBondContact CA-O 3.22Å; E97-A108 HydrophobicContact CB-CB 4.32Å; E97-A108 PolarHBondContact N-O 2.83Å; E97-A108 PolarHBondContact O-N 2.9Å; A108-T112 CarbonylContact C-O 3.57Å; A108-T112 VanDerWaalsContact CA-O 3.25Å; A108-T112 WeakPolarHBondContact CA-O 3.39Å
109	V	97.1	Very high	96.5	Very high	12 Å²	12	49.5 Å²	49.5	7%	0.073	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	119.8	176.4	-177.1	0	0	0	0	107.6	L94 D95 V107 G111 T112 V114 L131	L94-V109 HydrophobicContact CD1-CG1 4.47Å; L94-V109 HydrophobicContact CD2-CG1 4.39Å; D95-V109 CarbonylContact O-C 3.49Å; D95-V109 WeakPolarHBondContact O-CA 3.34Å; V107-V109 HydrophobicContact CG1-CG2 4.49Å; V109-G111 PolarHBondContact O-N 3.39Å; V109-T112 PolarHBondContact N-O 2.81Å; V109-T112 WeakPolarHBondContact O-CB 3.43Å; V109-T112 PolarHBondContact O-N 3.01Å; V109-V114 HydrophobicContact CB-CG1 4.49Å; V109-V114 HydrophobicContact CG2-CG1 4.34Å; V109-V114 HydrophobicContact CG2-CG2 3.98Å; V109-L131 HydrophobicContact CG1-CD1 4.34Å; V109-L131 HydrophobicContact CG2-CD1 3.77Å; V109-L131 HydrophobicContact CG2-CD2 4.41Å
110	D	94.9	Very high	95.8	Very high	51 Å²	51	57.8 Å²	57.8	27%	0.273	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	39.3	-173	-82.5	10.9	0	0	0	112.5	R91 L94 D95 T112	R91-D110 IonicContact CZ-OD2 3.29Å; R91-D110 VanDerWaalsContact CZ-OD2 3.29Å; R91-D110 IonicContact NE-OD2 3.73Å; R91-D110 IonicContact NH1-OD2 2.85Å; R91-D110 PolarHBondContact NH1-OD2 2.98Å; L94-D110 WeakPolarHBondContact CA-OD1 3.28Å; D95-D110 PolarHBondContact N-OD1 3.25Å; D95-D110 PolarHBondContact O-N 2.97Å; D110-T112 PolarHBondContact O-N 2.78Å
111	G	93.1	Very high	94.8	Very high	69 Å²	69	67.6 Å²	67.6	71%	0.711	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.5	-5.2	-177.9	0	0	0	0	0	115.2	V109	V109-G111 PolarHBondContact O-N 3.39Å
112	T	96.6	Very high	94.3	Very high	93 Å²	93	73.6 Å²	73.6	57%	0.571	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.9	117.6	175.3	-56.5	0	0	0	0	110.1	A108 V109 D110 V114	A108-T112 CarbonylContact C-O 3.57Å; A108-T112 VanDerWaalsContact CA-O 3.25Å; A108-T112 WeakPolarHBondContact CA-O 3.39Å; V109-T112 PolarHBondContact N-O 2.81Å; V109-T112 WeakPolarHBondContact O-CB 3.43Å; V109-T112 PolarHBondContact O-N 3.01Å; D110-T112 PolarHBondContact O-N 2.78Å; T112-V114 PolarHBondContact O-N 3.28Å
113	T	97	Very high	94	Very high	74 Å²	74	67.8 Å²	67.8	45%	0.454	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	111.2	175.2	-56.2	0	0	0	0	110.4	V107 L115 E116	V107-T113 CarbonylContact O-C 3.47Å; T113-L115 WeakPolarHBondContact CG2-O 3.43Å; T113-E116 HydrophobicContact CG2-CB 3.86Å
114	V	96.5	Very high	94	Very high	26 Å²	26	67.8 Å²	67.8	16%	0.158	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	-19.9	179.8	-66	0	0	0	0	113	V107 V109 T112 I129 V138 K141	V107-V114 HydrophobicContact CB-CG2 3.97Å; V107-V114 HydrophobicContact CG1-CG2 3.78Å; V107-V114 WeakPolarHBondContact O-CG2 3.32Å; V107-V114 PolarHBondContact O-N 3.46Å; V109-V114 HydrophobicContact CB-CG1 4.49Å; V109-V114 HydrophobicContact CG2-CG1 4.34Å; V109-V114 HydrophobicContact CG2-CG2 3.98Å; T112-V114 PolarHBondContact O-N 3.28Å; V114-I129 HydrophobicContact CG2-CD1 4.09Å; V114-V138 HydrophobicContact CB-CG2 3.72Å; V114-V138 HydrophobicContact CG1-CG2 3.69Å; V114-V138 HydrophobicContact CG2-CG2 4.16Å; V114-K141 WeakPolarHBondContact O-CE 3.35Å; V114-K141 PolarHBondContact O-NZ 3.2Å
115	L	96.6	Very high	94	Very high	24 Å²	24	64.9 Å²	64.9	13%	0.126	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	133.5	171.8	171.1	69.1	0	0	0	107.8	V105 Y106 V107 T113 H127 I129 T171	V105-L115 HydrophobicContact CG2-CD2 4.34Å; Y106-L115 CarbonylContact C-O 3.57Å; Y106-L115 WeakPolarHBondContact CA-O 3.4Å; Y106-L115 VanDerWaalsContact CB-O 3.26Å; Y106-L115 WeakPolarHBondContact CB-O 3.33Å; V107-L115 HydrophobicContact CB-CB 4.18Å; V107-L115 HydrophobicContact CG2-CB 4.41Å; V107-L115 HydrophobicContact CG2-CD2 4.19Å; V107-L115 PolarHBondContact N-O 3.46Å; V107-L115 PolarHBondContact O-N 2.96Å; T113-L115 WeakPolarHBondContact CG2-O 3.43Å; L115-H127 HydrophobicContact CD2-CB 3.98Å; L115-I129 HydrophobicContact CB-CD1 3.5Å; L115-I129 VanDerWaalsContact CB-CD1 3.5Å; L115-I129 HydrophobicContact CD2-CD1 3.81Å; L115-I129 HydrophobicContact CD2-CG1 4.27Å; L115-I129 HydrophobicContact CG-CD1 4.27Å; L115-T171 HydrophobicContact CD2-CG2 4.34Å
116	E	96.6	Very high	94	Very high	113 Å²	113	65 Å²	65	53%	0.528	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	125.9	166.7	-177.7	163.4	-145.7	0	0	107.8	K104 T113	K104-E116 VanDerWaalsContact CE-OE1 3.29Å; K104-E116 WeakPolarHBondContact CE-OE1 3.49Å; K104-E116 IonicContact NZ-OE1 2.72Å; K104-E116 PolarHBondContact NZ-OE1 3.47Å; T113-E116 HydrophobicContact CG2-CB 3.86Å
117	D	95.3	Very high	94	Very high	17 Å²	17	62.8 Å²	62.8	9%	0.091	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	107.2	177.2	176.3	15.2	0	0	0	110.2	K104 V105 V119 G123 H127 K173	K104-D117 WeakPolarHBondContact CA-O 3.4Å; V105-D117 HydrophobicContact CG2-CB 3.96Å; V105-D117 PolarHBondContact N-O 3.24Å; V105-D117 PolarHBondContact O-N 2.93Å; D117-V119 PolarHBondContact OD1-N 3.44Å; D117-V119 VanDerWaalsContact OD1-N 3.14Å; D117-G123 WeakPolarHBondContact OD2-CA 3.42Å; D117-H127 IonicContact OD2-CE1 3.36Å; D117-H127 PolarHBondContact OD2-CE1 2.82Å; D117-H127 IonicContact OD2-NE2 2.93Å; D117-K173 IonicContact OD1-NZ 2.71Å; D117-K173 PolarHBondContact OD1-NZ 3.11Å; D117-K173 WeakPolarHBondContact OD2-CD 3.39Å; D117-K173 IonicContact OD2-NZ 3.26Å; D117-K173 PolarHBondContact OD2-NZ 2.93Å
118	D	92.8	Very high	94	Very high	98 Å²	98	62.8 Å²	62.8	52%	0.524	33%	0.329	S	S	.	.			trans	-120.2	9.4	175.6	67.1	-16.3	0	0	0	112.5	K104 R120	K104-D118 HydrophobicContact CB-CB 4.3Å; K104-D118 HydrophobicContact CD-CB 4.31Å; K104-D118 HydrophobicContact CG-CB 4.19Å; D118-R120 PolarHBondContact O-N 2.72Å
119	V	89.8	Confident	94	Very high	67 Å²	67	62.6 Å²	62.6	41%	0.406	33%	0.327	S	S	.	.			trans	-69.6	129.8	-176.1	-175.5	0	0	0	0	109.5	D117 Q122 K173	D117-V119 PolarHBondContact OD1-N 3.44Å; D117-V119 VanDerWaalsContact OD1-N 3.14Å; V119-Q122 HydrophobicContact CB-CB 4.37Å; V119-Q122 HydrophobicContact CG1-CB 4.1Å; V119-Q122 HydrophobicContact CG1-CG 4.26Å; V119-K173 PolarHBondContact O-NZ 3.27Å
120	R	82.6	Confident	94.1	Very high	228 Å²	228	62 Å²	62	86%	0.86	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	142.7	176.5	-66.4	-175.9	-178.5	-177.3	0.9	110.3	D118 Q122	D118-R120 PolarHBondContact O-N 2.72Å; R120-Q122 PolarHBondContact O-N 3.22Å; R120-Q122 VanDerWaalsContact O-N 3.11Å
121	E	79.5	Confident	94.2	Very high	205 Å²	205	59.6 Å²	59.6	96%	0.958	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	10	176.5	-54.3	178.3	176.2	0	0	115.5
122	Q	86.7	Confident	94.3	Very high	131 Å²	131	57.1 Å²	57.1	61%	0.612	28%	0.281	S	S	*	.	S	Bend	trans	-129.6	156.9	174.1	-64.2	-176.5	18.9	0	0	110.7	V119 R120 R124 K173	V119-Q122 HydrophobicContact CB-CB 4.37Å; V119-Q122 HydrophobicContact CG1-CB 4.1Å; V119-Q122 HydrophobicContact CG1-CG 4.26Å; R120-Q122 PolarHBondContact O-N 3.22Å; R120-Q122 VanDerWaalsContact O-N 3.11Å; Q122-R124 VanDerWaalsContact C-N 3.27Å; Q122-R124 PolarHBondContact O-N 3.33Å; Q122-K173 PolarHBondContact O-NZ 3.23Å
123	G	90.9	Very high	94.2	Very high	18 Å²	18	53.2 Å²	53.2	19%	0.186	26%	0.257	C	S	.	.			trans	67.8	19.7	172.2	0	0	0	0	0	115.5	D117 H127 K173	D117-G123 WeakPolarHBondContact OD2-CA 3.42Å; G123-H127 PolarHBondContact O-NE2 3.14Å; G123-K173 WeakPolarHBondContact O-CB 3.33Å; G123-K173 WeakPolarHBondContact O-CD 3.36Å
124	R	96.5	Very high	94	Very high	81 Å²	81	50.7 Å²	50.7	31%	0.306	24%	0.243	S	C	.	.			trans	-58.4	147.1	167.5	177.1	178.1	66.3	-146.8	-5.2	110.2	Q122 D145 Y147 D174 E175	Q122-R124 VanDerWaalsContact C-N 3.27Å; Q122-R124 PolarHBondContact O-N 3.33Å; R124-D145 WeakPolarHBondContact CG-OD1 3.46Å; R124-D145 IonicContact CZ-OD1 3.69Å; R124-D145 IonicContact CZ-OD2 3.39Å; R124-D145 IonicContact NE-OD1 3.35Å; R124-D145 PolarHBondContact NE-OD1 2.65Å; R124-D145 IonicContact NE-OD2 2.67Å; R124-D145 IonicContact NH2-OD1 3.63Å; R124-D145 IonicContact NH2-OD2 3.56Å; R124-D145 PolarHBondContact NH2-OD2 3.39Å; R124-Y147 VanDerWaalsContact NH2-CD1 3.29Å; R124-D174 HydrophobicContact CB-CB 4.48Å; R124-D174 WeakPolarHBondContact CD-OD2 3Å; R124-D174 HydrophobicContact CG-CB 4.07Å; R124-E175 VanDerWaalsContact CG-O 3.27Å; R124-E175 WeakPolarHBondContact CG-O 3.36Å
125	G	97.7	Very high	93.8	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	114.2	-154.1	172.3	0	0	0	0	0	113.6	F144 V172 K173 E175	G125-F144 CarbonylContact C-O 3.59Å; G125-F144 WeakPolarHBondContact CA-O 3.47Å; G125-V172 WeakPolarHBondContact O-CA 3.46Å; G125-K173 PolarHBondContact N-O 3.48Å; G125-K173 PolarHBondContact O-N 3.33Å; G125-E175 VanDerWaalsContact CA-O 3.3Å; G125-E175 WeakPolarHBondContact CA-O 3.48Å; G125-E175 PolarHBondContact N-O 2.82Å
126	V	98.5	Very high	93.7	Very high	2 Å²	2	52 Å²	52	1%	0.012	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	115.5	-178.6	-177.1	0	0	0	0	109.4	V128 F144 T146 M155 F170 V172	V126-V128 HydrophobicContact CG1-CG2 4.11Å; V126-F144 PolarHBondContact N-O 2.81Å; V126-F144 PolarHBondContact O-N 2.85Å; V126-T146 HydrophobicContact CG2-CG2 4.46Å; V126-T146 WeakPolarHBondContact CG2-OG1 3.34Å; V126-M155 HydrophobicContact CB-SD 4.14Å; V126-M155 HydrophobicContact CG1-SD 3.91Å; V126-F170 HydrophobicContact CG1-CD1 4.07Å; V126-V172 HydrophobicContact CG2-CG2 4.25Å
127	H	98.6	Very high	93.6	Very high	2 Å²	2	53 Å²	53	1%	0.009	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	134.5	170.4	-69.1	-122	0	0	0	109.3	L115 D117 G123 R142 I143 F170 T171	L115-H127 HydrophobicContact CD2-CB 3.98Å; D117-H127 IonicContact OD2-CE1 3.36Å; D117-H127 PolarHBondContact OD2-CE1 2.82Å; D117-H127 IonicContact OD2-NE2 2.93Å; G123-H127 PolarHBondContact O-NE2 3.14Å; H127-R142 WeakPolarHBondContact CA-O 3.46Å; H127-I143 WeakPolarHBondContact CE1-CD1 3.49Å; H127-F170 WeakPolarHBondContact O-CA 3.48Å; H127-T171 HydrophobicContact CB-CG2 3.72Å; H127-T171 PolarHBondContact N-O 2.9Å; H127-T171 PolarHBondContact O-N 3.18Å
128	V	98.5	Very high	93.7	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	122.9	178.4	-170.8	0	0	0	0	109.6	V126 R142 F144 M155 F158 L159 I169 F170	V126-V128 HydrophobicContact CG1-CG2 4.11Å; V128-R142 PolarHBondContact N-O 2.65Å; V128-R142 PolarHBondContact O-N 3.29Å; V128-F144 HydrophobicContact CB-CE2 4.31Å; V128-F144 HydrophobicContact CG2-CD2 3.96Å; V128-F144 HydrophobicContact CG2-CE2 3.89Å; V128-M155 HydrophobicContact CG2-SD 4.48Å; V128-F158 HydrophobicContact CB-CE1 4.3Å; V128-F158 HydrophobicContact CG1-CE1 3.89Å; V128-L159 HydrophobicContact CG1-CD2 4.06Å; V128-I169 CarbonylContact C-O 3.45Å; V128-I169 VanDerWaalsContact CA-O 3.32Å; V128-I169 WeakPolarHBondContact CA-O 3.27Å; V128-F170 HydrophobicContact CG1-CD1 4.33Å; V128-F170 HydrophobicContact CG1-CE1 3.98Å; V128-F170 HydrophobicContact CG1-CZ 4.31Å; V128-F170 HydrophobicContact CG2-CD1 3.72Å; V128-F170 HydrophobicContact CG2-CE1 3.76Å
129	I	98.4	Very high	93.8	Very high	3 Å²	3	50.1 Å²	50.1	2%	0.015	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	138.9	172.5	-53	179.6	0	0	0	108.9	V107 V114 L115 L131 V138 A140 I169	V107-I129 HydrophobicContact CB-CD1 3.55Å; V107-I129 HydrophobicContact CG1-CD1 3.92Å; V107-I129 HydrophobicContact CG2-CD1 3.53Å; V114-I129 HydrophobicContact CG2-CD1 4.09Å; L115-I129 HydrophobicContact CB-CD1 3.5Å; L115-I129 VanDerWaalsContact CB-CD1 3.5Å; L115-I129 HydrophobicContact CD2-CD1 3.81Å; L115-I129 HydrophobicContact CD2-CG1 4.27Å; L115-I129 HydrophobicContact CG-CD1 4.27Å; I129-L131 HydrophobicContact CG2-CD2 3.8Å; I129-V138 HydrophobicContact CG2-CG1 3.9Å; I129-V138 HydrophobicContact CG2-CG2 4.33Å; I129-A140 WeakPolarHBondContact CA-O 3.36Å; I129-I169 HydrophobicContact CB-CB 4.21Å; I129-I169 PolarHBondContact N-O 3.21Å; I129-I169 PolarHBondContact O-N 2.94Å
130	V	98.4	Very high	94.2	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	125.9	174.9	-169.6	0	0	0	0	109.2	M139 A140 F158 V162 R166 I167 L168 E268	V130-M139 PolarHBondContact O-N 3.01Å; V130-A140 HydrophobicContact CB-CB 4.11Å; V130-A140 HydrophobicContact CG2-CB 4.01Å; V130-A140 PolarHBondContact N-O 3.33Å; V130-A140 PolarHBondContact O-N 3.07Å; V130-F158 HydrophobicContact CG2-CE1 4.05Å; V130-F158 HydrophobicContact CG2-CZ 3.72Å; V130-V162 HydrophobicContact CG1-CG1 3.93Å; V130-V162 HydrophobicContact CG2-CG2 4.04Å; V130-R166 HydrophobicContact CG1-CB 3.73Å; V130-R166 HydrophobicContact CG1-CG 4.17Å; V130-I167 CarbonylContact C-O 3.55Å; V130-I167 WeakPolarHBondContact CA-O 3.45Å; V130-L168 HydrophobicContact CB-CD2 4.46Å; V130-L168 HydrophobicContact CG1-CD2 4.19Å; V130-L168 HydrophobicContact CG2-CD2 3.76Å; V130-E268 HydrophobicContact CG1-CB 4.34Å; V130-E268 HydrophobicContact CG1-CG 3.88Å
131	L	97.6	Very high	94.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	147.2	174.4	-46.4	-179.8	0	0	0	111.5	I96 V109 I129 Q133 H137 V138 I167 I169	I96-L131 HydrophobicContact CD1-CD1 3.94Å; V109-L131 HydrophobicContact CG1-CD1 4.34Å; V109-L131 HydrophobicContact CG2-CD1 3.77Å; V109-L131 HydrophobicContact CG2-CD2 4.41Å; I129-L131 HydrophobicContact CG2-CD2 3.8Å; L131-Q133 PolarHBondContact O-N 2.97Å; L131-H137 CarbonylContact C-O 3.5Å; L131-H137 VanDerWaalsContact CA-O 3.3Å; L131-H137 WeakPolarHBondContact CA-O 3.4Å; L131-V138 HydrophobicContact CD2-CB 4.21Å; L131-V138 HydrophobicContact CD2-CG2 3.63Å; L131-I167 HydrophobicContact CB-CB 4.13Å; L131-I167 PolarHBondContact N-O 3.2Å; L131-I167 PolarHBondContact O-N 2.89Å; L131-I167 VanDerWaalsContact O-N 3.13Å; L131-I169 HydrophobicContact CD1-CD1 3.77Å; L131-I169 HydrophobicContact CG-CD1 4.07Å
132	N	95.8	Very high	95.6	Very high	17 Å²	17	33.6 Å²	33.6	9%	0.091	17%	0.169	C	C	.	.			trans	-65.6	125.6	165.4	-173.4	-58.2	0	0	0	109.3	A134 T135 G136 H137 M139	N132-A134 VanDerWaalsContact C-N 3.25Å; N132-A134 PolarHBondContact O-N 2.84Å; N132-A134 WeakPolarHBondContact OD1-CB 3.31Å; N132-A134 PolarHBondContact OD1-N 2.87Å; N132-T135 WeakPolarHBondContact CB-OG1 3.36Å; N132-T135 PolarHBondContact OD1-N 2.86Å; N132-G136 WeakPolarHBondContact O-CA 3.25Å; N132-G136 PolarHBondContact O-N 3.29Å; N132-H137 PolarHBondContact N-O 3.15Å; N132-M139 HydrophobicContact CB-CG 4.04Å; N132-M139 HydrophobicContact CB-SD 3.66Å
133	Q	93.9	Very high	96	Very high	12 Å²	12	31 Å²	31	6%	0.056	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-12.6	-175.7	73.9	-80.7	15.8	0	0	114.7	L131 G165 R166 I167 L241 T242 A247	L131-Q133 PolarHBondContact O-N 2.97Å; Q133-G165 WeakPolarHBondContact CB-O 3.4Å; Q133-G165 WeakPolarHBondContact CG-O 3.43Å; Q133-R166 VanDerWaalsContact OE1-CD 3.29Å; Q133-I167 HydrophobicContact CB-CD1 4.28Å; Q133-I167 HydrophobicContact CB-CG1 4.17Å; Q133-L241 WeakPolarHBondContact O-CA 3.21Å; Q133-L241 WeakPolarHBondContact O-CD2 3.4Å; Q133-T242 HydrophobicContact CG-CG2 4.48Å; Q133-T242 PolarHBondContact O-N 2.86Å; Q133-A247 HydrophobicContact CG-CB 4.26Å; Q133-A247 VanDerWaalsContact NE2-CB 3.34Å
134	A	92.8	Very high	96.2	Very high	20 Å²	20	30.9 Å²	30.9	17%	0.165	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-32.9	177.2	0	0	0	0	0	112.6	N132 T242 A247	N132-A134 VanDerWaalsContact C-N 3.25Å; N132-A134 PolarHBondContact O-N 2.84Å; N132-A134 WeakPolarHBondContact OD1-CB 3.31Å; N132-A134 PolarHBondContact OD1-N 2.87Å; A134-T242 WeakPolarHBondContact CA-O 3.33Å; A134-T242 WeakPolarHBondContact CB-O 3.34Å; A134-A247 HydrophobicContact CB-CB 3.66Å
135	T	92.8	Very high	96.2	Very high	70 Å²	70	28.7 Å²	28.7	43%	0.429	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-20.2	-175	65.4	0	0	0	0	114.6	N132 H137	N132-T135 WeakPolarHBondContact CB-OG1 3.36Å; N132-T135 PolarHBondContact OD1-N 2.86Å; T135-H137 PolarHBondContact O-N 2.96Å; T135-H137 WeakPolarHBondContact OG1-CB 3.35Å; T135-H137 PolarHBondContact OG1-N 2.73Å
136	G	93.8	Very high	96.1	Very high	8 Å²	8	28.7 Å²	28.7	8%	0.082	15%	0.148	C	C	.	.			trans	75.9	1.3	-171.3	0	0	0	0	0	114.8	L94 N132	L94-G136 VanDerWaalsContact CD1-CA 3.47Å; N132-G136 WeakPolarHBondContact O-CA 3.25Å; N132-G136 PolarHBondContact O-N 3.29Å
137	H	94.7	Very high	96	Very high	133 Å²	133	32.2 Å²	32.2	62%	0.616	16%	0.161	S	C	*	.			trans	-66.3	143	177.8	-69.2	-177.7	0	0	0	111.6	L131 N132 T135 M139	L131-H137 CarbonylContact C-O 3.5Å; L131-H137 VanDerWaalsContact CA-O 3.3Å; L131-H137 WeakPolarHBondContact CA-O 3.4Å; N132-H137 PolarHBondContact N-O 3.15Å; T135-H137 PolarHBondContact O-N 2.96Å; T135-H137 WeakPolarHBondContact OG1-CB 3.35Å; T135-H137 PolarHBondContact OG1-N 2.73Å; H137-M139 PolarHBondContact O-N 3.39Å
138	V	96.8	Very high	95.6	Very high	45 Å²	45	33.9 Å²	33.9	27%	0.273	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	127.1	174.8	-177.3	0	0	0	0	109.9	V114 I129 L131 K141	V114-V138 HydrophobicContact CB-CG2 3.72Å; V114-V138 HydrophobicContact CG1-CG2 3.69Å; V114-V138 HydrophobicContact CG2-CG2 4.16Å; I129-V138 HydrophobicContact CG2-CG1 3.9Å; I129-V138 HydrophobicContact CG2-CG2 4.33Å; L131-V138 HydrophobicContact CD2-CB 4.21Å; L131-V138 HydrophobicContact CD2-CG2 3.63Å; V138-K141 HydrophobicContact CG1-CD 4.34Å; V138-K141 HydrophobicContact CG1-CG 3.72Å
139	M	96.4	Very high	95.1	Very high	10 Å²	10	37.2 Å²	37.2	5%	0.049	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	-23.1	178.9	-58.4	-178	73.9	0	0	113.2	V130 N132 H137 C264 K266 E268	V130-M139 PolarHBondContact O-N 3.01Å; N132-M139 HydrophobicContact CB-CG 4.04Å; N132-M139 HydrophobicContact CB-SD 3.66Å; H137-M139 PolarHBondContact O-N 3.39Å; M139-C264 WeakPolarHBondContact CE-O 3.13Å; M139-K266 WeakPolarHBondContact CA-O 3.47Å; M139-E268 HydrophobicContact CB-CB 3.71Å; M139-E268 HydrophobicContact CE-CB 4.11Å; M139-E268 PolarHBondContact O-N 2.73Å; M139-E268 HydrophobicContact SD-CB 4.43Å
140	A	96.6	Very high	94.6	Very high	3 Å²	3	42.2 Å²	42.2	3%	0.025	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	146.7	175.1	0	0	0	0	0	111	I129 V130 F158 E268	I129-A140 WeakPolarHBondContact CA-O 3.36Å; V130-A140 HydrophobicContact CB-CB 4.11Å; V130-A140 HydrophobicContact CG2-CB 4.01Å; V130-A140 PolarHBondContact N-O 3.33Å; V130-A140 PolarHBondContact O-N 3.07Å; A140-F158 HydrophobicContact CB-CE2 4.15Å; A140-F158 HydrophobicContact CB-CZ 3.85Å; A140-E268 HydrophobicContact CB-CB 4.5Å
141	K	95.9	Very high	94.3	Very high	106 Å²	106	44.9 Å²	44.9	46%	0.461	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	127.3	168.4	-56.9	179.9	-167.4	176.3	0	107.8	V114 V138	V114-K141 WeakPolarHBondContact O-CE 3.35Å; V114-K141 PolarHBondContact O-NZ 3.2Å; V138-K141 HydrophobicContact CG1-CD 4.34Å; V138-K141 HydrophobicContact CG1-CG 3.72Å
142	R	95.3	Very high	94.2	Very high	44 Å²	44	45 Å²	45	17%	0.166	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	150.8	178.7	-60.4	-64.6	179.2	-106	6.6	109.9	H127 V128 F144 F158 N308 E338	H127-R142 WeakPolarHBondContact CA-O 3.46Å; V128-R142 PolarHBondContact N-O 2.65Å; V128-R142 PolarHBondContact O-N 3.29Å; R142-F144 HydrophobicContact CB-CD2 4.43Å; R142-F144 HydrophobicContact CB-CE2 3.57Å; R142-F144 HydrophobicContact CB-CZ 3.68Å; R142-F144 HydrophobicContact CG-CE2 4.47Å; R142-F144 HydrophobicContact CG-CZ 4.19Å; R142-F158 HydrophobicContact CB-CE1 4.36Å; R142-F158 HydrophobicContact CG-CD1 4.24Å; R142-F158 HydrophobicContact CG-CD2 4.01Å; R142-F158 HydrophobicContact CG-CE1 3.95Å; R142-F158 HydrophobicContact CG-CE2 3.7Å; R142-F158 HydrophobicContact CG-CG 4.26Å; R142-F158 HydrophobicContact CG-CZ 3.66Å; R142-N308 PolarHBondContact NH2-ND2 2.92Å; R142-N308 PolarHBondContact NH2-OD1 3.4Å; R142-E338 IonicContact CZ-OE1 3.56Å; R142-E338 IonicContact NH1-OE2 3.62Å; R142-E338 IonicContact NH2-OE1 2.81Å; R142-E338 PolarHBondContact NH2-OE1 3.05Å; R142-E338 IonicContact NH2-OE2 3.56Å
143	I	95.7	Very high	94.1	Very high	78 Å²	78	48.7 Å²	48.7	40%	0.4	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	130.5	173.5	-51.9	174.6	0	0	0	105.6	H127	H127-I143 WeakPolarHBondContact CE1-CD1 3.49Å
144	F	96	Very high	94	Very high	15 Å²	15	49.9 Å²	49.9	7%	0.066	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	113.6	176	-57.7	-79.3	0	0	0	107.7	G125 V126 V128 R142 T146 A154 M155 F158	G125-F144 CarbonylContact C-O 3.59Å; G125-F144 WeakPolarHBondContact CA-O 3.47Å; V126-F144 PolarHBondContact N-O 2.81Å; V126-F144 PolarHBondContact O-N 2.85Å; V128-F144 HydrophobicContact CB-CE2 4.31Å; V128-F144 HydrophobicContact CG2-CD2 3.96Å; V128-F144 HydrophobicContact CG2-CE2 3.89Å; R142-F144 HydrophobicContact CB-CD2 4.43Å; R142-F144 HydrophobicContact CB-CE2 3.57Å; R142-F144 HydrophobicContact CB-CZ 3.68Å; R142-F144 HydrophobicContact CG-CE2 4.47Å; R142-F144 HydrophobicContact CG-CZ 4.19Å; F144-T146 HydrophobicContact CB-CG2 3.99Å; F144-T146 PolarHBondContact O-N 3.28Å; F144-A154 HydrophobicContact CD1-CB 4.09Å; F144-A154 HydrophobicContact CE1-CB 4.11Å; F144-M155 HydrophobicContact CB-CB 4.09Å; F144-M155 HydrophobicContact CD1-CB 3.85Å; F144-M155 HydrophobicContact CD2-CB 3.72Å; F144-M155 HydrophobicContact CD2-CG 3.59Å; F144-M155 HydrophobicContact CD2-SD 4.17Å; F144-M155 HydrophobicContact CE1-CB 4.2Å; F144-M155 HydrophobicContact CE2-CB 4.08Å; F144-M155 HydrophobicContact CE2-CG 3.85Å; F144-M155 HydrophobicContact CG-CB 3.59Å; F144-M155 HydrophobicContact CG-CG 4Å; F144-M155 HydrophobicContact CZ-CB 4.31Å; F144-M155 HydrophobicContact CZ-CG 4.47Å; F144-F158 HydrophobicContact CE1-CB 4.32Å; F144-F158 AromaticContact CE2-CD1 3.93Å; F144-F158 HydrophobicContact CE2-CD1 3.93Å; F144-F158 HydrophobicContact CE2-CG 4.45Å; F144-F158 HydrophobicContact CZ-CB 3.63Å; F144-F158 AromaticContact CZ-CD1 3.78Å; F144-F158 HydrophobicContact CZ-CD1 3.78Å; F144-F158 AromaticContact CZ-CG 3.83Å; F144-F158 HydrophobicContact CZ-CG 3.83Å
145	D	95.6	Very high	94.2	Very high	35 Å²	35	49 Å²	49	19%	0.187	25%	0.252	C	S	.	.			trans	-76.9	69.7	177.4	-176.4	29	0	0	0	109.5	R124 Y147 S148 E151	R124-D145 WeakPolarHBondContact CG-OD1 3.46Å; R124-D145 IonicContact CZ-OD1 3.69Å; R124-D145 IonicContact CZ-OD2 3.39Å; R124-D145 IonicContact NE-OD1 3.35Å; R124-D145 PolarHBondContact NE-OD1 2.65Å; R124-D145 IonicContact NE-OD2 2.67Å; R124-D145 IonicContact NH2-OD1 3.63Å; R124-D145 IonicContact NH2-OD2 3.56Å; R124-D145 PolarHBondContact NH2-OD2 3.39Å; D145-Y147 PolarHBondContact O-N 2.9Å; D145-Y147 WeakPolarHBondContact OD1-CB 3.35Å; D145-S148 WeakPolarHBondContact O-CA 3.33Å; D145-S148 VanDerWaalsContact O-CB 3.31Å; D145-S148 WeakPolarHBondContact O-CB 3.42Å; D145-S148 PolarHBondContact O-N 3.31Å; D145-S148 PolarHBondContact OD2-OG 2.9Å; D145-E151 HydrophobicContact CB-CG 4.35Å; D145-E151 PolarHBondContact N-OE2 3.24Å; D145-E151 WeakPolarHBondContact O-CB 3.45Å; D145-E151 WeakPolarHBondContact O-CG 3.47Å
146	T	97	Very high	94.4	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	2.8	-178	52.1	0	0	0	0	113.6	V126 F144 S148 E151 D152 G176 H179 L180	V126-T146 HydrophobicContact CG2-CG2 4.46Å; V126-T146 WeakPolarHBondContact CG2-OG1 3.34Å; F144-T146 HydrophobicContact CB-CG2 3.99Å; F144-T146 PolarHBondContact O-N 3.28Å; T146-S148 VanDerWaalsContact C-N 3.33Å; T146-E151 HydrophobicContact CG2-CB 4.41Å; T146-D152 HydrophobicContact CG2-CB 4.29Å; T146-G176 VanDerWaalsContact OG1-CA 3.28Å; T146-G176 WeakPolarHBondContact OG1-CA 3.26Å; T146-G176 PolarHBondContact OG1-O 3.18Å; T146-H179 CarbonylContact O-C 3.57Å; T146-H179 WeakPolarHBondContact O-CA 3.45Å; T146-H179 PolarHBondContact O-N 3.03Å; T146-L180 HydrophobicContact CG2-CD1 4.08Å
147	Y	94.9	Very high	94.5	Very high	75 Å²	75	52 Å²	52	29%	0.294	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-31.4	158.8	170.4	-89.4	0	0	0	111.5	R124 D145 E175 F178 H179 W201	R124-Y147 VanDerWaalsContact NH2-CD1 3.29Å; D145-Y147 PolarHBondContact O-N 2.9Å; D145-Y147 WeakPolarHBondContact OD1-CB 3.35Å; Y147-E175 HydrophobicContact CD2-CB 4.19Å; Y147-E175 HydrophobicContact CD2-CG 4.01Å; Y147-E175 WeakPolarHBondContact CD2-OE2 3.48Å; Y147-F178 HydrophobicContact CD2-CB 3.67Å; Y147-F178 HydrophobicContact CD2-CD1 4.25Å; Y147-F178 HydrophobicContact CD2-CG 4.17Å; Y147-F178 HydrophobicContact CE2-CB 4.15Å; Y147-F178 HydrophobicContact CE2-CD1 4.02Å; Y147-F178 HydrophobicContact CE2-CG 4.14Å; Y147-F178 HydrophobicContact CG-CB 4.39Å; Y147-H179 PolarHBondContact O-ND1 3.03Å; Y147-W201 HydrophobicContact CD2-CH2 4.45Å; Y147-W201 HydrophobicContact CD2-CZ3 4.09Å; Y147-W201 AromaticContact CE2-CH2 3.84Å; Y147-W201 HydrophobicContact CE2-CH2 3.84Å; Y147-W201 AromaticContact CE2-CZ3 3.78Å; Y147-W201 HydrophobicContact CE2-CZ3 3.78Å
148	S	90.7	Very high	94.6	Very high	37 Å²	37	46.1 Å²	46.1	26%	0.259	24%	0.236	S	C	.	.	S	Bend	trans	-88.9	150.3	176.7	-64.5	0	0	0	0	111.1	D145 T146 H179	D145-S148 WeakPolarHBondContact O-CA 3.33Å; D145-S148 VanDerWaalsContact O-CB 3.31Å; D145-S148 WeakPolarHBondContact O-CB 3.42Å; D145-S148 PolarHBondContact O-N 3.31Å; D145-S148 PolarHBondContact OD2-OG 2.9Å; T146-S148 VanDerWaalsContact C-N 3.33Å; S148-H179 WeakPolarHBondContact O-CB 3.3Å
149	P	87.4	Confident	94.6	Very high	71 Å²	71	44.2 Å²	44.2	46%	0.461	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	149.5	178.3	-22.2	32.2	0	0	0	113.1	E151	P149-E151 PolarHBondContact O-N 3.3Å
150	H	88.3	Confident	94.5	Very high	107 Å²	107	48.1 Å²	48.1	50%	0.495	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	-13.6	172.6	-52.3	-72.5	0	0	0	117.4	D152 E153 A154	H150-D152 WeakPolarHBondContact CA-OD1 3.48Å; H150-D152 PolarHBondContact O-N 3.36Å; H150-E153 IonicContact ND1-OE1 2.89Å; H150-E153 IonicContact ND1-OE2 2.84Å; H150-E153 WeakPolarHBondContact O-CB 3.41Å; H150-E153 PolarHBondContact O-N 2.88Å; H150-E153 VanDerWaalsContact O-N 3.13Å; H150-A154 PolarHBondContact O-N 3.39Å
151	E	92.2	Very high	94.5	Very high	57 Å²	57	51 Å²	51	27%	0.266	26%	0.258	S	S	.	.	H	α-helix	trans	-64.1	-22.9	174.7	-74.7	-66.5	125.7	0	0	112.8	D145 T146 P149 A154 M155	D145-E151 HydrophobicContact CB-CG 4.35Å; D145-E151 PolarHBondContact N-OE2 3.24Å; D145-E151 WeakPolarHBondContact O-CB 3.45Å; D145-E151 WeakPolarHBondContact O-CG 3.47Å; T146-E151 HydrophobicContact CG2-CB 4.41Å; P149-E151 PolarHBondContact O-N 3.3Å; E151-A154 PolarHBondContact O-N 2.78Å; E151-M155 PolarHBondContact O-N 3.37Å
152	D	95.4	Very high	94.5	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-67.8	-38.4	173.2	69	-49.4	0	0	0	112.4	T146 H150 M155 I156 L180 K181 A184	T146-D152 HydrophobicContact CG2-CB 4.29Å; H150-D152 WeakPolarHBondContact CA-OD1 3.48Å; H150-D152 PolarHBondContact O-N 3.36Å; D152-M155 PolarHBondContact O-N 2.78Å; D152-I156 VanDerWaalsContact O-CG1 3.3Å; D152-I156 WeakPolarHBondContact O-CG1 3.27Å; D152-I156 PolarHBondContact O-N 3.37Å; D152-L180 HydrophobicContact CB-CD1 4.24Å; D152-K181 WeakPolarHBondContact OD1-CE 3.39Å; D152-K181 IonicContact OD1-NZ 2.77Å; D152-K181 VanDerWaalsContact OD2-CB 3.3Å; D152-K181 WeakPolarHBondContact OD2-CB 3.31Å; D152-K181 WeakPolarHBondContact OD2-CD 3.46Å; D152-K181 VanDerWaalsContact OD2-CE 3.29Å; D152-K181 WeakPolarHBondContact OD2-CE 3.24Å; D152-K181 WeakPolarHBondContact OD2-CG 3.49Å; D152-A184 HydrophobicContact CB-CB 4.2Å
153	E	94.1	Very high	94.4	Very high	95 Å²	95	45.6 Å²	45.6	44%	0.444	24%	0.239	S	C	.	.	H	α-helix	trans	-66.8	-40.3	174.8	-66.8	167.2	-156.1	0	0	111.1	H150 M155 I156 L157 K181	H150-E153 IonicContact ND1-OE1 2.89Å; H150-E153 IonicContact ND1-OE2 2.84Å; H150-E153 WeakPolarHBondContact O-CB 3.41Å; H150-E153 PolarHBondContact O-N 2.88Å; H150-E153 VanDerWaalsContact O-N 3.13Å; E153-M155 VanDerWaalsContact C-N 3.34Å; E153-I156 PolarHBondContact O-N 3.32Å; E153-L157 WeakPolarHBondContact O-CB 3.24Å; E153-L157 PolarHBondContact O-N 3.47Å; E153-K181 IonicContact OE1-NZ 3.82Å; E153-K181 PolarHBondContact OE1-NZ 3.17Å
154	A	92.1	Very high	94.3	Very high	38 Å²	38	51 Å²	51	31%	0.314	26%	0.255	S	S	.	.	H	α-helix	trans	-62.4	-41.1	173.6	0	0	0	0	0	111.8	F144 H150 E151 L157 F158	F144-A154 HydrophobicContact CD1-CB 4.09Å; F144-A154 HydrophobicContact CE1-CB 4.11Å; H150-A154 PolarHBondContact O-N 3.39Å; E151-A154 PolarHBondContact O-N 2.78Å; A154-L157 PolarHBondContact O-N 2.74Å; A154-F158 PolarHBondContact O-N 3.28Å
155	M	96.9	Very high	94.1	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-62.7	-46.5	174.4	-173.2	178.1	64.2	0	0	111.7	V126 V128 F144 E151 D152 E153 L157 F158 L159 L180 A184 L188	V126-M155 HydrophobicContact CB-SD 4.14Å; V126-M155 HydrophobicContact CG1-SD 3.91Å; V128-M155 HydrophobicContact CG2-SD 4.48Å; F144-M155 HydrophobicContact CB-CB 4.09Å; F144-M155 HydrophobicContact CD1-CB 3.85Å; F144-M155 HydrophobicContact CD2-CB 3.72Å; F144-M155 HydrophobicContact CD2-CG 3.59Å; F144-M155 HydrophobicContact CD2-SD 4.17Å; F144-M155 HydrophobicContact CE1-CB 4.2Å; F144-M155 HydrophobicContact CE2-CB 4.08Å; F144-M155 HydrophobicContact CE2-CG 3.85Å; F144-M155 HydrophobicContact CG-CB 3.59Å; F144-M155 HydrophobicContact CG-CG 4Å; F144-M155 HydrophobicContact CZ-CB 4.31Å; F144-M155 HydrophobicContact CZ-CG 4.47Å; E151-M155 PolarHBondContact O-N 3.37Å; D152-M155 PolarHBondContact O-N 2.78Å; E153-M155 VanDerWaalsContact C-N 3.34Å; M155-L157 VanDerWaalsContact C-N 3.32Å; M155-L157 PolarHBondContact O-N 2.81Å; M155-F158 PolarHBondContact O-N 2.9Å; M155-L159 HydrophobicContact CG-CD1 3.92Å; M155-L159 HydrophobicContact CG-CG 4.27Å; M155-L159 WeakPolarHBondContact O-CB 3.33Å; M155-L159 VanDerWaalsContact O-CG 3.26Å; M155-L159 WeakPolarHBondContact O-CG 3.38Å; M155-L159 PolarHBondContact O-N 3.45Å; M155-L180 HydrophobicContact CE-CD1 3.62Å; M155-A184 HydrophobicContact CE-CB 4.07Å; M155-L188 HydrophobicContact CE-CD1 4.37Å
156	I	97.4	Very high	94.2	Very high	33 Å²	33	49.8 Å²	49.8	17%	0.169	25%	0.251	C	S	.	.	H	α-helix	trans	-57	-47.8	176	-71.7	166.4	0	0	0	110.5	D152 E153 L159 N160 A183 A184 L187	D152-I156 VanDerWaalsContact O-CG1 3.3Å; D152-I156 WeakPolarHBondContact O-CG1 3.27Å; D152-I156 PolarHBondContact O-N 3.37Å; E153-I156 PolarHBondContact O-N 3.32Å; I156-L159 PolarHBondContact O-N 3.03Å; I156-N160 WeakPolarHBondContact CG2-ND2 3.24Å; I156-N160 WeakPolarHBondContact O-CB 3.28Å; I156-N160 VanDerWaalsContact O-CG 3.28Å; I156-N160 PolarHBondContact O-N 3.31Å; I156-N160 PolarHBondContact O-ND2 2.89Å; I156-A183 HydrophobicContact CD1-CB 3.94Å; I156-A184 HydrophobicContact CD1-CB 3.88Å; I156-A184 HydrophobicContact CG1-CB 3.97Å; I156-L187 HydrophobicContact CB-CD2 4.15Å; I156-L187 HydrophobicContact CG1-CD2 3.97Å; I156-L187 HydrophobicContact CG2-CD2 4.1Å
157	L	95.1	Very high	94.2	Very high	108 Å²	108	49.8 Å²	49.8	57%	0.565	25%	0.251	S	S	*	.	H	α-helix	trans	-59.6	-49.7	-179.8	-177.5	65.8	0	0	0	111.1	E153 A154 M155 N160 M161	E153-L157 WeakPolarHBondContact O-CB 3.24Å; E153-L157 PolarHBondContact O-N 3.47Å; A154-L157 PolarHBondContact O-N 2.74Å; M155-L157 VanDerWaalsContact C-N 3.32Å; M155-L157 PolarHBondContact O-N 2.81Å; L157-N160 PolarHBondContact O-N 2.87Å; L157-M161 HydrophobicContact CG-CE 4.01Å; L157-M161 WeakPolarHBondContact O-CG 3.28Å; L157-M161 PolarHBondContact O-N 2.82Å; L157-M161 VanDerWaalsContact O-N 3.07Å
158	F	96.4	Very high	94.4	Very high	10 Å²	10	46.2 Å²	46.2	4%	0.044	24%	0.237	C	C	.	.	H	α-helix	trans	-58.1	-51.6	176.7	171.6	-107.6	0	0	0	111.8	V128 V130 A140 R142 F144 A154 M155 N160 M161 V162	V128-F158 HydrophobicContact CB-CE1 4.3Å; V128-F158 HydrophobicContact CG1-CE1 3.89Å; V130-F158 HydrophobicContact CG2-CE1 4.05Å; V130-F158 HydrophobicContact CG2-CZ 3.72Å; A140-F158 HydrophobicContact CB-CE2 4.15Å; A140-F158 HydrophobicContact CB-CZ 3.85Å; R142-F158 HydrophobicContact CB-CE1 4.36Å; R142-F158 HydrophobicContact CG-CD1 4.24Å; R142-F158 HydrophobicContact CG-CD2 4.01Å; R142-F158 HydrophobicContact CG-CE1 3.95Å; R142-F158 HydrophobicContact CG-CE2 3.7Å; R142-F158 HydrophobicContact CG-CG 4.26Å; R142-F158 HydrophobicContact CG-CZ 3.66Å; F144-F158 HydrophobicContact CE1-CB 4.32Å; F144-F158 AromaticContact CE2-CD1 3.93Å; F144-F158 HydrophobicContact CE2-CD1 3.93Å; F144-F158 HydrophobicContact CE2-CG 4.45Å; F144-F158 HydrophobicContact CZ-CB 3.63Å; F144-F158 AromaticContact CZ-CD1 3.78Å; F144-F158 HydrophobicContact CZ-CD1 3.78Å; F144-F158 AromaticContact CZ-CG 3.83Å; F144-F158 HydrophobicContact CZ-CG 3.83Å; A154-F158 PolarHBondContact O-N 3.28Å; M155-F158 PolarHBondContact O-N 2.9Å; F158-N160 VanDerWaalsContact C-N 3.26Å; F158-N160 PolarHBondContact O-N 2.81Å; F158-M161 WeakPolarHBondContact O-CB 3.44Å; F158-M161 PolarHBondContact O-N 3.49Å; F158-V162 HydrophobicContact CE1-CG2 4.11Å; F158-V162 HydrophobicContact CE2-CG2 4.27Å; F158-V162 HydrophobicContact CZ-CG2 3.97Å; F158-V162 PolarHBondContact O-N 2.84Å; F158-V162 VanDerWaalsContact O-N 3.15Å
159	L	96.9	Very high	94.8	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.021	23%	0.225	C	C	.	.	H	α-helix	trans	-60.2	-37.7	-179.3	-71.8	176.8	0	0	0	111.8	V128 M155 I156 M161 V162 L168 F170 L187 L188 L191 K211	V128-L159 HydrophobicContact CG1-CD2 4.06Å; M155-L159 HydrophobicContact CG-CD1 3.92Å; M155-L159 HydrophobicContact CG-CG 4.27Å; M155-L159 WeakPolarHBondContact O-CB 3.33Å; M155-L159 VanDerWaalsContact O-CG 3.26Å; M155-L159 WeakPolarHBondContact O-CG 3.38Å; M155-L159 PolarHBondContact O-N 3.45Å; I156-L159 PolarHBondContact O-N 3.03Å; L159-M161 VanDerWaalsContact C-N 3.32Å; L159-V162 PolarHBondContact O-N 3.21Å; L159-L168 HydrophobicContact CD2-CD1 4.21Å; L159-L168 HydrophobicContact CD2-CD2 4.39Å; L159-F170 HydrophobicContact CD1-CE1 3.98Å; L159-F170 HydrophobicContact CD1-CZ 4.14Å; L159-F170 HydrophobicContact CD2-CE1 3.9Å; L159-F170 HydrophobicContact CD2-CZ 3.67Å; L159-L187 HydrophobicContact CB-CD2 3.96Å; L159-L187 HydrophobicContact CD1-CD2 3.93Å; L159-L188 HydrophobicContact CD1-CD2 4.15Å; L159-L191 HydrophobicContact CD1-CD1 4.47Å; L159-K211 WeakPolarHBondContact O-CE 3.43Å; L159-K211 PolarHBondContact O-NZ 3.16Å
160	N	95.7	Very high	95.3	Very high	93 Å²	93	41.1 Å²	41.1	50%	0.497	20%	0.203	S	C	.	.	H	α-helix	trans	-65.5	-35.7	175.4	-77.3	-26.4	0	0	0	112.4	I156 L157 F158 K211	I156-N160 WeakPolarHBondContact CG2-ND2 3.24Å; I156-N160 WeakPolarHBondContact O-CB 3.28Å; I156-N160 VanDerWaalsContact O-CG 3.28Å; I156-N160 PolarHBondContact O-N 3.31Å; I156-N160 PolarHBondContact O-ND2 2.89Å; L157-N160 PolarHBondContact O-N 2.87Å; F158-N160 VanDerWaalsContact C-N 3.26Å; F158-N160 PolarHBondContact O-N 2.81Å; N160-K211 PolarHBondContact O-NZ 2.89Å
161	M	95.3	Very high	95.8	Very high	62 Å²	62	36.1 Å²	36.1	31%	0.305	18%	0.18	S	C	.	.	H	α-helix	trans	-74.4	-17.9	178	-72	-171.4	-58.3	0	0	114.7	L157 F158 L159 G269 G271	L157-M161 HydrophobicContact CG-CE 4.01Å; L157-M161 WeakPolarHBondContact O-CG 3.28Å; L157-M161 PolarHBondContact O-N 2.82Å; L157-M161 VanDerWaalsContact O-N 3.07Å; F158-M161 WeakPolarHBondContact O-CB 3.44Å; F158-M161 PolarHBondContact O-N 3.49Å; L159-M161 VanDerWaalsContact C-N 3.32Å; M161-G269 VanDerWaalsContact CE-O 3.31Å; M161-G269 WeakPolarHBondContact CE-O 3.19Å; M161-G271 WeakPolarHBondContact O-CA 3.48Å; M161-G271 PolarHBondContact O-N 3.05Å
162	V	95.6	Very high	96.1	Very high	4 Å²	4	33.5 Å²	33.5	2%	0.024	17%	0.168	C	C	.	.	S	Bend	trans	-67.5	136	176.4	174.3	0	0	0	0	111.2	V130 F158 L159 R166 L168 K211 E268	V130-V162 HydrophobicContact CG1-CG1 3.93Å; V130-V162 HydrophobicContact CG2-CG2 4.04Å; F158-V162 HydrophobicContact CE1-CG2 4.11Å; F158-V162 HydrophobicContact CE2-CG2 4.27Å; F158-V162 HydrophobicContact CZ-CG2 3.97Å; F158-V162 PolarHBondContact O-N 2.84Å; F158-V162 VanDerWaalsContact O-N 3.15Å; L159-V162 PolarHBondContact O-N 3.21Å; V162-R166 HydrophobicContact CG1-CB 3.88Å; V162-R166 HydrophobicContact CG1-CG 3.93Å; V162-L168 HydrophobicContact CG1-CD2 3.98Å; V162-L168 HydrophobicContact CG2-CD2 4.4Å; V162-K211 HydrophobicContact CB-CD 4.2Å; V162-K211 HydrophobicContact CG1-CD 4.16Å; V162-K211 WeakPolarHBondContact O-CD 3.25Å; V162-K211 WeakPolarHBondContact O-CE 3.27Å; V162-K211 PolarHBondContact O-NZ 2.9Å; V162-E268 HydrophobicContact CB-CG 4.3Å; V162-E268 HydrophobicContact CG1-CG 3.8Å; V162-E268 HydrophobicContact CG2-CG 4.25Å
163	T	93.8	Very high	96.2	Very high	33 Å²	33	33.9 Å²	33.9	20%	0.202	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-60.4	139.1	176.6	-52	0	0	0	0	112.6	G165 R166 E268	T163-G165 PolarHBondContact O-N 3.38Å; T163-R166 VanDerWaalsContact O-CG 3.31Å; T163-R166 WeakPolarHBondContact O-CG 3.46Å; T163-R166 PolarHBondContact O-N 3.04Å; T163-E268 WeakPolarHBondContact CB-OE2 3.49Å; T163-E268 PolarHBondContact N-OE1 3.35Å; T163-E268 VanDerWaalsContact N-OE1 3.15Å; T163-E268 PolarHBondContact N-OE2 3.39Å; T163-E268 PolarHBondContact OG1-OE1 3Å; T163-E268 PolarHBondContact OG1-OE2 3.08Å
164	R	93.1	Very high	96.4	Very high	191 Å²	191	31.3 Å²	31.3	72%	0.721	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	138	173.2	-172.7	179.7	179.9	170.4	1.3	109.6	K211	R164-K211 WeakPolarHBondContact CG-O 3.3Å
165	G	93.1	Very high	96.7	Very high	13 Å²	13	29.7 Å²	29.7	13%	0.134	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	100	-16.3	-179.3	0	0	0	0	0	114.7	Q133 T163 K210 K211	Q133-G165 WeakPolarHBondContact CB-O 3.4Å; Q133-G165 WeakPolarHBondContact CG-O 3.43Å; T163-G165 PolarHBondContact O-N 3.38Å; G165-K210 WeakPolarHBondContact O-CE 3.38Å; G165-K210 VanDerWaalsContact O-CG 3.31Å; G165-K210 WeakPolarHBondContact O-CG 3.47Å; G165-K211 PolarHBondContact N-O 2.92Å
166	R	95.9	Very high	96.7	Very high	13 Å²	13	29.7 Å²	29.7	5%	0.049	15%	0.146	C	C	.	.			trans	-65.3	153.8	172.5	-59	-61.9	-177.3	-150.8	4.5	111.6	V130 Q133 V162 T163 K210 K211 C264 E268	V130-R166 HydrophobicContact CG1-CB 3.73Å; V130-R166 HydrophobicContact CG1-CG 4.17Å; Q133-R166 VanDerWaalsContact OE1-CD 3.29Å; V162-R166 HydrophobicContact CG1-CB 3.88Å; V162-R166 HydrophobicContact CG1-CG 3.93Å; T163-R166 VanDerWaalsContact O-CG 3.31Å; T163-R166 WeakPolarHBondContact O-CG 3.46Å; T163-R166 PolarHBondContact O-N 3.04Å; R166-K210 WeakPolarHBondContact O-CA 3.48Å; R166-K211 PolarHBondContact O-N 3.49Å; R166-C264 PolarHBondContact NH2-O 3.16Å; R166-E268 HydrophobicContact CG-CG 4.3Å; R166-E268 WeakPolarHBondContact CG-OE2 3.26Å; R166-E268 IonicContact CZ-OE2 2.78Å; R166-E268 IonicContact NE-OE2 3.93Å; R166-E268 PolarHBondContact NE-OE2 2.94Å; R166-E268 IonicContact NH2-OE2 3.75Å
167	I	98	Very high	96.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	127.6	173	-49.1	-61.4	0	0	0	108.2	V130 L131 Q133 V208 K210 Y216 V239	V130-I167 CarbonylContact C-O 3.55Å; V130-I167 WeakPolarHBondContact CA-O 3.45Å; L131-I167 HydrophobicContact CB-CB 4.13Å; L131-I167 PolarHBondContact N-O 3.2Å; L131-I167 PolarHBondContact O-N 2.89Å; L131-I167 VanDerWaalsContact O-N 3.13Å; Q133-I167 HydrophobicContact CB-CD1 4.28Å; Q133-I167 HydrophobicContact CB-CG1 4.17Å; I167-V208 HydrophobicContact CG2-CG1 4.14Å; I167-K210 HydrophobicContact CD1-CB 4.12Å; I167-K210 HydrophobicContact CD1-CD 4.46Å; I167-K210 HydrophobicContact CD1-CG 4.05Å; I167-Y216 HydrophobicContact CD1-CE2 3.73Å; I167-V239 HydrophobicContact CD1-CG1 3.65Å; I167-V239 HydrophobicContact CG1-CG1 3.99Å; I167-V239 HydrophobicContact CG2-CG1 4.49Å
168	L	98.5	Very high	96.8	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	133	176.5	-59.9	174.3	0	0	0	108.9	V130 L159 V162 F170 L191 V208 V209 K211	V130-L168 HydrophobicContact CB-CD2 4.46Å; V130-L168 HydrophobicContact CG1-CD2 4.19Å; V130-L168 HydrophobicContact CG2-CD2 3.76Å; L159-L168 HydrophobicContact CD2-CD1 4.21Å; L159-L168 HydrophobicContact CD2-CD2 4.39Å; V162-L168 HydrophobicContact CG1-CD2 3.98Å; V162-L168 HydrophobicContact CG2-CD2 4.4Å; L168-F170 HydrophobicContact CB-CD2 4.41Å; L168-F170 HydrophobicContact CB-CE2 3.59Å; L168-F170 HydrophobicContact CB-CZ 4.15Å; L168-F170 HydrophobicContact CD1-CE2 4.26Å; L168-F170 HydrophobicContact CD1-CZ 4.22Å; L168-L191 HydrophobicContact CD1-CD1 3.94Å; L168-L191 HydrophobicContact CD1-CD2 4.21Å; L168-V208 WeakPolarHBondContact O-CA 3.38Å; L168-V209 HydrophobicContact CB-CG1 3.86Å; L168-V209 HydrophobicContact CD1-CG1 4.43Å; L168-V209 PolarHBondContact N-O 2.81Å; L168-V209 PolarHBondContact O-N 2.95Å; L168-K211 HydrophobicContact CD1-CB 3.93Å; L168-K211 HydrophobicContact CD1-CD 4.48Å; L168-K211 HydrophobicContact CD1-CG 4.31Å; L168-K211 HydrophobicContact CG-CB 4.32Å
169	I	98.8	Very high	96.9	Very high	1 Å²	1	32 Å²	32	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	128.1	176.1	-55.2	173.2	0	0	0	108	I96 V98 V107 V128 I129 L131 L207 V208	I96-I169 HydrophobicContact CD1-CD1 4.12Å; I96-I169 HydrophobicContact CG2-CD1 3.91Å; V98-I169 HydrophobicContact CB-CG2 4.39Å; V98-I169 HydrophobicContact CG1-CG2 3.89Å; V98-I169 HydrophobicContact CG2-CG2 3.53Å; V107-I169 HydrophobicContact CG1-CD1 3.83Å; V107-I169 HydrophobicContact CG1-CG2 4.22Å; V107-I169 HydrophobicContact CG2-CG2 3.98Å; V128-I169 CarbonylContact C-O 3.45Å; V128-I169 VanDerWaalsContact CA-O 3.32Å; V128-I169 WeakPolarHBondContact CA-O 3.27Å; I129-I169 HydrophobicContact CB-CB 4.21Å; I129-I169 PolarHBondContact N-O 3.21Å; I129-I169 PolarHBondContact O-N 2.94Å; L131-I169 HydrophobicContact CD1-CD1 3.77Å; L131-I169 HydrophobicContact CG-CD1 4.07Å; I169-L207 CarbonylContact C-O 3.55Å; I169-L207 WeakPolarHBondContact CA-O 3.46Å; I169-V208 HydrophobicContact CG1-CG1 4.39Å; I169-V208 HydrophobicContact CG1-CG2 4.31Å; I169-V208 HydrophobicContact CG2-CG2 4.26Å
170	F	98.7	Very high	96.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	140.7	177.8	-58.1	-99.7	0	0	0	110	V126 H127 V128 L159 L168 L188 L191 W205 T206 L207 V209	V126-F170 HydrophobicContact CG1-CD1 4.07Å; H127-F170 WeakPolarHBondContact O-CA 3.48Å; V128-F170 HydrophobicContact CG1-CD1 4.33Å; V128-F170 HydrophobicContact CG1-CE1 3.98Å; V128-F170 HydrophobicContact CG1-CZ 4.31Å; V128-F170 HydrophobicContact CG2-CD1 3.72Å; V128-F170 HydrophobicContact CG2-CE1 3.76Å; L159-F170 HydrophobicContact CD1-CE1 3.98Å; L159-F170 HydrophobicContact CD1-CZ 4.14Å; L159-F170 HydrophobicContact CD2-CE1 3.9Å; L159-F170 HydrophobicContact CD2-CZ 3.67Å; L168-F170 HydrophobicContact CB-CD2 4.41Å; L168-F170 HydrophobicContact CB-CE2 3.59Å; L168-F170 HydrophobicContact CB-CZ 4.15Å; L168-F170 HydrophobicContact CD1-CE2 4.26Å; L168-F170 HydrophobicContact CD1-CZ 4.22Å; F170-L188 HydrophobicContact CD1-CD2 4.19Å; F170-L188 HydrophobicContact CE1-CD2 3.67Å; F170-L188 HydrophobicContact CZ-CD2 3.94Å; F170-L191 HydrophobicContact CE2-CD1 4.39Å; F170-L191 HydrophobicContact CZ-CD1 4Å; F170-W205 HydrophobicContact CB-CE3 4.45Å; F170-W205 HydrophobicContact CB-CH2 3.97Å; F170-W205 HydrophobicContact CB-CZ3 3.82Å; F170-W205 HydrophobicContact CD1-CH2 4.31Å; F170-W205 HydrophobicContact CD1-CZ3 4.31Å; F170-W205 HydrophobicContact CG-CH2 4.07Å; F170-W205 HydrophobicContact CG-CZ3 4.24Å; F170-T206 VanDerWaalsContact O-CA 3.27Å; F170-T206 WeakPolarHBondContact O-CA 3.45Å; F170-L207 HydrophobicContact CB-CB 4.15Å; F170-L207 HydrophobicContact CD2-CB 4.04Å; F170-L207 HydrophobicContact CD2-CD2 3.76Å; F170-L207 HydrophobicContact CD2-CG 4.1Å; F170-L207 HydrophobicContact CE2-CD2 4.01Å; F170-L207 HydrophobicContact CG-CB 4.47Å; F170-L207 PolarHBondContact N-O 2.55Å; F170-L207 PolarHBondContact O-N 3.48Å; F170-V209 HydrophobicContact CE2-CG1 4.03Å
171	T	98.8	Very high	96.9	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.006	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	143.7	169.3	-176	0	0	0	0	110.9	V98 Y99 S100 V105 V107 L115 H127 W205	V98-T171 HydrophobicContact CG1-CG2 4.45Å; Y99-T171 PolarHBondContact O-OG1 3.43Å; S100-T171 WeakPolarHBondContact CA-OG1 3.43Å; S100-T171 VanDerWaalsContact CB-OG1 3.27Å; S100-T171 WeakPolarHBondContact CB-OG1 3.13Å; V105-T171 HydrophobicContact CB-CG2 3.82Å; V105-T171 HydrophobicContact CG1-CG2 3.96Å; V105-T171 HydrophobicContact CG2-CG2 4.38Å; V107-T171 HydrophobicContact CG2-CG2 4.45Å; L115-T171 HydrophobicContact CD2-CG2 4.34Å; H127-T171 HydrophobicContact CB-CG2 3.72Å; H127-T171 PolarHBondContact N-O 2.9Å; H127-T171 PolarHBondContact O-N 3.18Å; T171-W205 WeakPolarHBondContact CA-O 3.44Å
172	V	98.6	Very high	97	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.018	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	134.3	179	176.7	0	0	0	0	110.7	S100 V105 G125 V126 W205	S100-V172 WeakPolarHBondContact CB-O 3.28Å; S100-V172 PolarHBondContact OG-N 2.94Å; S100-V172 PolarHBondContact OG-O 2.76Å; V105-V172 VanDerWaalsContact CG1-O 3.24Å; V105-V172 WeakPolarHBondContact CG1-O 3.11Å; G125-V172 WeakPolarHBondContact O-CA 3.46Å; V126-V172 HydrophobicContact CG2-CG2 4.25Å; V172-W205 HydrophobicContact CG2-CB 4.07Å; V172-W205 HydrophobicContact CG2-CE3 4.01Å; V172-W205 PolarHBondContact N-O 3.37Å; V172-W205 VanDerWaalsContact N-O 3.12Å
173	K	98.4	Very high	97.1	Very high	8 Å²	8	37.2 Å²	37.2	4%	0.035	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	130.1	166.2	-167.6	-179.7	175.7	-163.7	0	109.4	S103 V105 D117 V119 Q122 G123 G125 E175	S103-K173 WeakPolarHBondContact O-CE 3.46Å; V105-K173 HydrophobicContact CG1-CB 3.61Å; V105-K173 HydrophobicContact CG1-CG 4.21Å; V105-K173 HydrophobicContact CG2-CB 4.33Å; V105-K173 HydrophobicContact CG2-CD 4.37Å; D117-K173 IonicContact OD1-NZ 2.71Å; D117-K173 PolarHBondContact OD1-NZ 3.11Å; D117-K173 WeakPolarHBondContact OD2-CD 3.39Å; D117-K173 IonicContact OD2-NZ 3.26Å; D117-K173 PolarHBondContact OD2-NZ 2.93Å; V119-K173 PolarHBondContact O-NZ 3.27Å; Q122-K173 PolarHBondContact O-NZ 3.23Å; G123-K173 WeakPolarHBondContact O-CB 3.33Å; G123-K173 WeakPolarHBondContact O-CD 3.36Å; G125-K173 PolarHBondContact N-O 3.48Å; G125-K173 PolarHBondContact O-N 3.33Å; K173-E175 PolarHBondContact O-N 2.91Å
174	D	97.9	Very high	97.3	Very high	42 Å²	42	35.6 Å²	35.6	23%	0.225	18%	0.176	C	C	.	.	S	Bend	trans	61.3	-78.6	177.1	-177.8	33.7	0	0	0	115.3	S101 R102 R124 M204 W229	S101-D174 PolarHBondContact O-N 3.33Å; R102-D174 VanDerWaalsContact O-CA 3.31Å; R102-D174 WeakPolarHBondContact O-CA 3.48Å; R102-D174 WeakPolarHBondContact O-CB 3.43Å; R102-D174 PolarHBondContact O-N 2.68Å; R124-D174 HydrophobicContact CB-CB 4.48Å; R124-D174 WeakPolarHBondContact CD-OD2 3Å; R124-D174 HydrophobicContact CG-CB 4.07Å; D174-M204 WeakPolarHBondContact O-CE 3.38Å; D174-W229 PolarHBondContact O-NE1 3.25Å; D174-W229 VanDerWaalsContact OD1-CE2 3.31Å; D174-W229 WeakPolarHBondContact OD1-CZ2 3.45Å; D174-W229 PolarHBondContact OD1-NE1 3.39Å
175	E	97.8	Very high	97.5	Very high	3 Å²	3	28 Å²	28	1%	0.014	15%	0.148	C	C	.	.			trans	-148.1	131.1	-177.5	-151	-57.8	123.4	0	0	108.9	R124 G125 Y147 K173 T177 F178 W201 R202	R124-E175 VanDerWaalsContact CG-O 3.27Å; R124-E175 WeakPolarHBondContact CG-O 3.36Å; G125-E175 VanDerWaalsContact CA-O 3.3Å; G125-E175 WeakPolarHBondContact CA-O 3.48Å; G125-E175 PolarHBondContact N-O 2.82Å; Y147-E175 HydrophobicContact CD2-CB 4.19Å; Y147-E175 HydrophobicContact CD2-CG 4.01Å; Y147-E175 WeakPolarHBondContact CD2-OE2 3.48Å; K173-E175 PolarHBondContact O-N 2.91Å; E175-T177 VanDerWaalsContact CD-N 3.3Å; E175-T177 WeakPolarHBondContact OE1-CB 3.38Å; E175-T177 PolarHBondContact OE1-N 3.44Å; E175-T177 PolarHBondContact OE1-OG1 3.29Å; E175-T177 PolarHBondContact OE2-N 2.93Å; E175-F178 PolarHBondContact OE1-N 3.28Å; E175-F178 WeakPolarHBondContact OE2-CB 3.45Å; E175-F178 PolarHBondContact OE2-N 2.94Å; E175-W201 HydrophobicContact CG-CD2 4.32Å; E175-W201 HydrophobicContact CG-CE3 3.8Å; E175-W201 HydrophobicContact CG-CH2 4.2Å; E175-W201 HydrophobicContact CG-CZ3 3.74Å; E175-R202 HydrophobicContact CB-CG 4.42Å; E175-R202 HydrophobicContact CG-CG 3.85Å; E175-R202 PolarHBondContact OE1-N 3.02Å
176	G	97.3	Very high	97.8	Very high	2 Å²	2	31.5 Å²	31.5	2%	0.021	16%	0.164	C	C	.	.			trans	-140	20.9	-179.5	0	0	0	0	0	114	T146	T146-G176 VanDerWaalsContact OG1-CA 3.28Å; T146-G176 WeakPolarHBondContact OG1-CA 3.26Å; T146-G176 PolarHBondContact OG1-O 3.18Å
177	T	97.4	Very high	97.8	Very high	16 Å²	16	32.3 Å²	32.3	10%	0.098	17%	0.169	C	C	.	.			trans	-125.7	-16.4	-169.7	73.4	0	0	0	0	114.8	E175 H179 L180 L199 S200 W201	E175-T177 VanDerWaalsContact CD-N 3.3Å; E175-T177 WeakPolarHBondContact OE1-CB 3.38Å; E175-T177 PolarHBondContact OE1-N 3.44Å; E175-T177 PolarHBondContact OE1-OG1 3.29Å; E175-T177 PolarHBondContact OE2-N 2.93Å; T177-H179 PolarHBondContact O-N 3.07Å; T177-L180 PolarHBondContact O-N 3.18Å; T177-L180 VanDerWaalsContact O-N 3.15Å; T177-L199 HydrophobicContact CG2-CB 4Å; T177-S200 WeakPolarHBondContact CG2-O 3.5Å; T177-S200 PolarHBondContact OG1-O 2.83Å; T177-W201 WeakPolarHBondContact OG1-CA 3.41Å; T177-W201 PolarHBondContact OG1-N 3.26Å
178	F	97.1	Very high	97.8	Very high	119 Å²	119	32.3 Å²	32.3	52%	0.522	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-40.7	-170.6	-167.8	-118.2	0	0	0	113.9	Y147 E175 W201	Y147-F178 HydrophobicContact CD2-CB 3.67Å; Y147-F178 HydrophobicContact CD2-CD1 4.25Å; Y147-F178 HydrophobicContact CD2-CG 4.17Å; Y147-F178 HydrophobicContact CE2-CB 4.15Å; Y147-F178 HydrophobicContact CE2-CD1 4.02Å; Y147-F178 HydrophobicContact CE2-CG 4.14Å; Y147-F178 HydrophobicContact CG-CB 4.39Å; E175-F178 PolarHBondContact OE1-N 3.28Å; E175-F178 WeakPolarHBondContact OE2-CB 3.45Å; E175-F178 PolarHBondContact OE2-N 2.94Å; F178-W201 HydrophobicContact CB-CE3 4.34Å; F178-W201 HydrophobicContact CB-CZ3 4.01Å; F178-W201 AromaticContact CD2-CE3 3.9Å; F178-W201 HydrophobicContact CD2-CE3 3.9Å; F178-W201 AromaticContact CD2-CZ3 3.63Å; F178-W201 HydrophobicContact CD2-CZ3 3.63Å; F178-W201 HydrophobicContact CE2-CZ3 4.35Å; F178-W201 HydrophobicContact CG-CE3 4.46Å; F178-W201 AromaticContact CG-CZ3 3.95Å; F178-W201 HydrophobicContact CG-CZ3 3.95Å
179	H	97.3	Very high	97.7	Very high	63 Å²	63	37.6 Å²	37.6	29%	0.292	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.1	20	173.2	-70.6	101.5	0	0	0	112.7	T146 Y147 S148 T177 K181	T146-H179 CarbonylContact O-C 3.57Å; T146-H179 WeakPolarHBondContact O-CA 3.45Å; T146-H179 PolarHBondContact O-N 3.03Å; Y147-H179 PolarHBondContact O-ND1 3.03Å; S148-H179 WeakPolarHBondContact O-CB 3.3Å; T177-H179 PolarHBondContact O-N 3.07Å; H179-K181 PolarHBondContact O-N 2.9Å; H179-K181 VanDerWaalsContact O-N 3.08Å
180	L	97.4	Very high	97.6	Very high	10 Å²	10	41.6 Å²	41.6	5%	0.052	22%	0.22	C	C	.	.			trans	-79	92.4	175.4	-172.4	71.2	0	0	0	110.4	T146 D152 M155 T177 A184 K185 L199	T146-L180 HydrophobicContact CG2-CD1 4.08Å; D152-L180 HydrophobicContact CB-CD1 4.24Å; M155-L180 HydrophobicContact CE-CD1 3.62Å; T177-L180 PolarHBondContact O-N 3.18Å; T177-L180 VanDerWaalsContact O-N 3.15Å; L180-A184 HydrophobicContact CD1-CB 3.54Å; L180-A184 HydrophobicContact CG-CB 4.25Å; L180-K185 HydrophobicContact CD2-CG 4Å; L180-K185 HydrophobicContact CG-CG 4.06Å; L180-K185 WeakPolarHBondContact O-CE 3.35Å; L180-L199 HydrophobicContact CD2-CD1 4.5Å
181	K	97.1	Very high	97.5	Very high	83 Å²	83	42 Å²	42	36%	0.361	22%	0.222	S	C	.	.			trans	-70.4	164.4	-174.3	-56.6	171.1	-148.4	175.4	0	112.5	D152 E153 H179 A183 A184 K185	D152-K181 WeakPolarHBondContact OD1-CE 3.39Å; D152-K181 IonicContact OD1-NZ 2.77Å; D152-K181 VanDerWaalsContact OD2-CB 3.3Å; D152-K181 WeakPolarHBondContact OD2-CB 3.31Å; D152-K181 WeakPolarHBondContact OD2-CD 3.46Å; D152-K181 VanDerWaalsContact OD2-CE 3.29Å; D152-K181 WeakPolarHBondContact OD2-CE 3.24Å; D152-K181 WeakPolarHBondContact OD2-CG 3.49Å; E153-K181 IonicContact OE1-NZ 3.82Å; E153-K181 PolarHBondContact OE1-NZ 3.17Å; H179-K181 PolarHBondContact O-N 2.9Å; H179-K181 VanDerWaalsContact O-N 3.08Å; K181-A183 PolarHBondContact O-N 2.75Å; K181-A183 VanDerWaalsContact O-N 3.15Å; K181-A184 PolarHBondContact O-N 3.06Å; K181-K185 PolarHBondContact O-N 3.4Å; K181-K185 VanDerWaalsContact O-N 3.12Å
182	D	97.1	Very high	97.4	Very high	117 Å²	117	43.2 Å²	43.2	63%	0.626	24%	0.235	S	C	*	.	H	α-helix	trans	-56.4	-33.2	-179.7	-70.5	-26.1	0	0	0	113.3	A184 K185 N186	D182-A184 VanDerWaalsContact C-N 3.35Å; D182-A184 PolarHBondContact O-N 3.21Å; D182-K185 PolarHBondContact O-N 3.14Å; D182-N186 WeakPolarHBondContact O-CB 3.35Å; D182-N186 PolarHBondContact O-N 3.46Å; D182-N186 PolarHBondContact O-ND2 2.69Å
183	A	97.6	Very high	97.3	Very high	63 Å²	63	43.3 Å²	43.3	52%	0.521	24%	0.235	S	C	.	.	H	α-helix	trans	-59	-45.1	175.8	0	0	0	0	0	112	I156 K181 L187	I156-A183 HydrophobicContact CD1-CB 3.94Å; K181-A183 PolarHBondContact O-N 2.75Å; K181-A183 VanDerWaalsContact O-N 3.15Å; A183-L187 PolarHBondContact O-N 2.9Å
184	A	97.8	Very high	97.2	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-69.6	-44.6	178.2	0	0	0	0	0	111	D152 M155 I156 L180 K181 D182 N186 L187 L188	D152-A184 HydrophobicContact CB-CB 4.2Å; M155-A184 HydrophobicContact CE-CB 4.07Å; I156-A184 HydrophobicContact CD1-CB 3.88Å; I156-A184 HydrophobicContact CG1-CB 3.97Å; L180-A184 HydrophobicContact CD1-CB 3.54Å; L180-A184 HydrophobicContact CG-CB 4.25Å; K181-A184 PolarHBondContact O-N 3.06Å; D182-A184 VanDerWaalsContact C-N 3.35Å; D182-A184 PolarHBondContact O-N 3.21Å; A184-N186 VanDerWaalsContact C-N 3.32Å; A184-N186 PolarHBondContact O-N 3.26Å; A184-L187 WeakPolarHBondContact O-CB 3.34Å; A184-L187 PolarHBondContact O-N 3.3Å; A184-L188 WeakPolarHBondContact O-CG 3.34Å; A184-L188 PolarHBondContact O-N 2.85Å
185	K	98	Very high	97.1	Very high	30 Å²	30	50.3 Å²	50.3	13%	0.13	27%	0.27	C	S	.	.	H	α-helix	trans	-59.7	-41.5	176.3	-65.9	-175.2	170.4	-171.4	0	112.1	L180 K181 D182 L188 K189 L197 L199	L180-K185 HydrophobicContact CD2-CG 4Å; L180-K185 HydrophobicContact CG-CG 4.06Å; L180-K185 WeakPolarHBondContact O-CE 3.35Å; K181-K185 PolarHBondContact O-N 3.4Å; K181-K185 VanDerWaalsContact O-N 3.12Å; D182-K185 PolarHBondContact O-N 3.14Å; K185-L188 PolarHBondContact O-N 2.83Å; K185-K189 WeakPolarHBondContact O-CB 3.16Å; K185-K189 PolarHBondContact O-N 3.11Å; K185-L197 HydrophobicContact CB-CD2 4.04Å; K185-L199 PolarHBondContact NZ-O 3.49Å
186	N	97.9	Very high	97	Very high	87 Å²	87	50.1 Å²	50.1	47%	0.465	27%	0.269	S	S	.	.	H	α-helix	trans	-66.7	-37.5	176.3	-75.4	-39	0	0	0	112.2	D182 A184 K189 S190	D182-N186 WeakPolarHBondContact O-CB 3.35Å; D182-N186 PolarHBondContact O-N 3.46Å; D182-N186 PolarHBondContact O-ND2 2.69Å; A184-N186 VanDerWaalsContact C-N 3.32Å; A184-N186 PolarHBondContact O-N 3.26Å; N186-K189 PolarHBondContact O-N 2.9Å; N186-S190 WeakPolarHBondContact O-CB 3.26Å; N186-S190 PolarHBondContact O-N 2.89Å
187	L	97.3	Very high	97	Very high	30 Å²	30	53.9 Å²	53.9	16%	0.157	29%	0.288	C	S	.	.	H	α-helix	trans	-62.4	-48.2	172.4	178.7	64.1	0	0	0	111.1	I156 L159 A183 A184 K189 S190 L191	I156-L187 HydrophobicContact CB-CD2 4.15Å; I156-L187 HydrophobicContact CG1-CD2 3.97Å; I156-L187 HydrophobicContact CG2-CD2 4.1Å; L159-L187 HydrophobicContact CB-CD2 3.96Å; L159-L187 HydrophobicContact CD1-CD2 3.93Å; A183-L187 PolarHBondContact O-N 2.9Å; A184-L187 WeakPolarHBondContact O-CB 3.34Å; A184-L187 PolarHBondContact O-N 3.3Å; L187-K189 VanDerWaalsContact C-N 3.3Å; L187-K189 PolarHBondContact O-N 3.44Å; L187-S190 WeakPolarHBondContact O-CA 3.46Å; L187-S190 WeakPolarHBondContact O-CB 3.44Å; L187-S190 PolarHBondContact O-N 3.45Å; L187-S190 PolarHBondContact O-OG 2.91Å; L187-L191 PolarHBondContact O-N 3.27Å
188	L	97.4	Very high	96.9	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-60.2	-39.9	177.1	-65.8	175.3	0	0	0	111.9	M155 L159 F170 A184 K185 L191 G192 S193 A196 W205	M155-L188 HydrophobicContact CE-CD1 4.37Å; L159-L188 HydrophobicContact CD1-CD2 4.15Å; F170-L188 HydrophobicContact CD1-CD2 4.19Å; F170-L188 HydrophobicContact CE1-CD2 3.67Å; F170-L188 HydrophobicContact CZ-CD2 3.94Å; A184-L188 WeakPolarHBondContact O-CG 3.34Å; A184-L188 PolarHBondContact O-N 2.85Å; K185-L188 PolarHBondContact O-N 2.83Å; L188-L191 HydrophobicContact CD2-CD1 4.38Å; L188-L191 WeakPolarHBondContact O-CB 3.32Å; L188-L191 PolarHBondContact O-N 2.86Å; L188-G192 PolarHBondContact O-N 3.39Å; L188-S193 VanDerWaalsContact O-CB 3.31Å; L188-S193 WeakPolarHBondContact O-CB 3.28Å; L188-S193 PolarHBondContact O-N 2.9Å; L188-A196 HydrophobicContact CB-CB 3.57Å; L188-A196 HydrophobicContact CD1-CB 4.4Å; L188-W205 HydrophobicContact CD1-CH2 3.82Å; L188-W205 HydrophobicContact CD1-CZ3 4.09Å; L188-W205 HydrophobicContact CD2-CH2 4.11Å; L188-W205 HydrophobicContact CG-CH2 4.4Å
189	K	96.9	Very high	96.9	Very high	111 Å²	111	50 Å²	50	48%	0.483	28%	0.283	S	S	.	.	H	α-helix	trans	-60.7	-43.3	171	-176.2	-174.7	-171.9	175.8	0	111.9	K185 N186 L187 L191 G192 L197	K185-K189 WeakPolarHBondContact O-CB 3.16Å; K185-K189 PolarHBondContact O-N 3.11Å; N186-K189 PolarHBondContact O-N 2.9Å; L187-K189 VanDerWaalsContact C-N 3.3Å; L187-K189 PolarHBondContact O-N 3.44Å; K189-L191 PolarHBondContact O-N 3.1Å; K189-G192 WeakPolarHBondContact O-CA 3.3Å; K189-G192 PolarHBondContact O-N 2.89Å; K189-L197 HydrophobicContact CB-CD2 4.48Å; K189-L197 HydrophobicContact CB-CG 4.48Å; K189-L197 HydrophobicContact CD-CD1 3.59Å; K189-L197 HydrophobicContact CD-CD2 4.21Å; K189-L197 HydrophobicContact CD-CG 3.86Å
190	S	96.3	Very high	96.8	Very high	85 Å²	85	48.7 Å²	48.7	59%	0.594	28%	0.281	S	S	*	.	H	α-helix	trans	-65.2	-24.4	178.4	81	0	0	0	0	113.3	N186 L187 G192	N186-S190 WeakPolarHBondContact O-CB 3.26Å; N186-S190 PolarHBondContact O-N 2.89Å; L187-S190 WeakPolarHBondContact O-CA 3.46Å; L187-S190 WeakPolarHBondContact O-CB 3.44Å; L187-S190 PolarHBondContact O-N 3.45Å; L187-S190 PolarHBondContact O-OG 2.91Å; S190-G192 VanDerWaalsContact C-N 3.28Å
191	L	96.5	Very high	96.8	Very high	9 Å²	9	51.4 Å²	51.4	5%	0.047	29%	0.291	C	S	.	.	H	α-helix	trans	-73.5	-22.3	170.2	-65.7	173.8	0	0	0	112.1	L159 L168 F170 L187 L188 K189 V209 K211	L159-L191 HydrophobicContact CD1-CD1 4.47Å; L168-L191 HydrophobicContact CD1-CD1 3.94Å; L168-L191 HydrophobicContact CD1-CD2 4.21Å; F170-L191 HydrophobicContact CE2-CD1 4.39Å; F170-L191 HydrophobicContact CZ-CD1 4Å; L187-L191 PolarHBondContact O-N 3.27Å; L188-L191 HydrophobicContact CD2-CD1 4.38Å; L188-L191 WeakPolarHBondContact O-CB 3.32Å; L188-L191 PolarHBondContact O-N 2.86Å; K189-L191 PolarHBondContact O-N 3.1Å; L191-V209 WeakPolarHBondContact O-CG2 3.2Å; L191-K211 HydrophobicContact CD2-CG 4.03Å
192	G	96.1	Very high	96.9	Very high	26 Å²	26	49.8 Å²	49.8	27%	0.268	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	125.4	-1.1	176.4	0	0	0	0	0	114.7	L188 K189 S190 Q194 V215	L188-G192 PolarHBondContact O-N 3.39Å; K189-G192 WeakPolarHBondContact O-CA 3.3Å; K189-G192 PolarHBondContact O-N 2.89Å; S190-G192 VanDerWaalsContact C-N 3.28Å; G192-Q194 PolarHBondContact O-N 2.97Å; G192-V215 WeakPolarHBondContact O-CG2 3.24Å
193	S	96.9	Very high	97	Very high	5 Å²	5	44.2 Å²	44.2	4%	0.035	25%	0.253	C	S	.	.			trans	-60.6	130.4	179.1	175.8	0	0	0	0	111.8	L188 A195 A196 E218	L188-S193 VanDerWaalsContact O-CB 3.31Å; L188-S193 WeakPolarHBondContact O-CB 3.28Å; L188-S193 PolarHBondContact O-N 2.9Å; S193-A195 PolarHBondContact OG-N 3.32Å; S193-A196 WeakPolarHBondContact OG-CB 3.27Å; S193-A196 PolarHBondContact OG-N 3.06Å; S193-E218 WeakPolarHBondContact CB-OE1 3.21Å; S193-E218 PolarHBondContact OG-OE1 2.84Å
194	Q	96.1	Very high	97	Very high	182 Å²	182	41.2 Å²	41.2	85%	0.85	23%	0.228	S	C	*	.	S	Bend	trans	-88.3	-29.1	173.3	-59.5	-173.1	1.7	0	0	111.6	G192 E218	G192-Q194 PolarHBondContact O-N 2.97Å; Q194-E218 PolarHBondContact N-OE2 3.36Å
195	A	96.3	Very high	97.1	Very high	15 Å²	15	41.2 Å²	41.2	12%	0.124	23%	0.228	C	C	.	.	S	Bend	trans	-85.5	-23.2	-178.5	0	0	0	0	0	113.7	S193 L197 G198 L199 E218 H220	S193-A195 PolarHBondContact OG-N 3.32Å; A195-L197 VanDerWaalsContact C-N 3.35Å; A195-L197 PolarHBondContact O-N 2.73Å; A195-L197 VanDerWaalsContact O-N 3.15Å; A195-G198 CarbonylContact O-C 3.55Å; A195-G198 WeakPolarHBondContact O-CA 3.32Å; A195-G198 PolarHBondContact O-N 2.93Å; A195-L199 PolarHBondContact O-N 3.44Å; A195-E218 WeakPolarHBondContact CB-OE1 3.44Å; A195-E218 PolarHBondContact N-OE1 3.32Å; A195-H220 HydrophobicContact CB-CB 3.92Å
196	A	95.2	Very high	97.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-51	-44.3	-168.9	0	0	0	0	0	115.3	L188 S193 G198	L188-A196 HydrophobicContact CB-CB 3.57Å; L188-A196 HydrophobicContact CD1-CB 4.4Å; S193-A196 WeakPolarHBondContact OG-CB 3.27Å; S193-A196 PolarHBondContact OG-N 3.06Å; A196-G198 VanDerWaalsContact C-N 3.3Å; A196-G198 PolarHBondContact O-N 2.84Å
197	L	96.8	Very high	97.1	Very high	80 Å²	80	35.7 Å²	35.7	42%	0.419	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-68.7	-31.4	178.8	-66	-170.9	0	0	0	112.5	K185 K189 A195	K185-L197 HydrophobicContact CB-CD2 4.04Å; K189-L197 HydrophobicContact CB-CD2 4.48Å; K189-L197 HydrophobicContact CB-CG 4.48Å; K189-L197 HydrophobicContact CD-CD1 3.59Å; K189-L197 HydrophobicContact CD-CD2 4.21Å; K189-L197 HydrophobicContact CD-CG 3.86Å; A195-L197 VanDerWaalsContact C-N 3.35Å; A195-L197 PolarHBondContact O-N 2.73Å; A195-L197 VanDerWaalsContact O-N 3.15Å
198	G	95.6	Very high	97.2	Very high	47 Å²	47	34.2 Å²	34.2	49%	0.485	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-88.5	-6.2	-177.9	0	0	0	0	0	114.6	A195 A196 S200	A195-G198 CarbonylContact O-C 3.55Å; A195-G198 WeakPolarHBondContact O-CA 3.32Å; A195-G198 PolarHBondContact O-N 2.93Å; A196-G198 VanDerWaalsContact C-N 3.3Å; A196-G198 PolarHBondContact O-N 2.84Å; G198-S200 PolarHBondContact O-N 3.33Å
199	L	96.9	Very high	97.2	Very high	7 Å²	7	34.2 Å²	34.2	4%	0.037	19%	0.192	C	C	.	.			trans	-58.4	129.9	178.7	-73	176.6	0	0	0	111.2	T177 L180 K185 A195 D203 W205	T177-L199 HydrophobicContact CG2-CB 4Å; L180-L199 HydrophobicContact CD2-CD1 4.5Å; K185-L199 PolarHBondContact NZ-O 3.49Å; A195-L199 PolarHBondContact O-N 3.44Å; L199-D203 HydrophobicContact CD2-CB 4.27Å; L199-W205 HydrophobicContact CD1-CD2 3.86Å; L199-W205 HydrophobicContact CD1-CE3 3.83Å; L199-W205 HydrophobicContact CD1-CG 4.25Å; L199-W205 HydrophobicContact CD1-CZ3 4.27Å; L199-W205 HydrophobicContact CD2-CB 3.73Å; L199-W205 HydrophobicContact CD2-CD2 4.28Å; L199-W205 HydrophobicContact CD2-CG 3.78Å
200	S	96.6	Very high	97.2	Very high	35 Å²	35	31 Å²	31	25%	0.245	18%	0.178	C	C	.	.			trans	-136.1	175.1	-176.1	64	0	0	0	0	112.3	T177 G198 R202 D203 K222	T177-S200 WeakPolarHBondContact CG2-O 3.5Å; T177-S200 PolarHBondContact OG1-O 2.83Å; G198-S200 PolarHBondContact O-N 3.33Å; S200-R202 PolarHBondContact O-N 3.44Å; S200-D203 PolarHBondContact N-OD2 2.95Å; S200-D203 VanDerWaalsContact O-CB 3.27Å; S200-D203 WeakPolarHBondContact O-CB 3.39Å; S200-D203 PolarHBondContact O-N 2.89Å; S200-D203 VanDerWaalsContact OG-CG 3.31Å; S200-D203 PolarHBondContact OG-OD1 2.95Å; S200-D203 PolarHBondContact OG-OD2 2.91Å; S200-K222 WeakPolarHBondContact OG-CE 3.41Å
201	W	97.7	Very high	97.2	Very high	68 Å²	68	28.6 Å²	28.6	26%	0.258	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-44.1	119.5	-174.4	176.7	-102.6	0	0	0	113.1	Y147 E175 T177 F178 D203 S223 L226	Y147-W201 HydrophobicContact CD2-CH2 4.45Å; Y147-W201 HydrophobicContact CD2-CZ3 4.09Å; Y147-W201 AromaticContact CE2-CH2 3.84Å; Y147-W201 HydrophobicContact CE2-CH2 3.84Å; Y147-W201 AromaticContact CE2-CZ3 3.78Å; Y147-W201 HydrophobicContact CE2-CZ3 3.78Å; E175-W201 HydrophobicContact CG-CD2 4.32Å; E175-W201 HydrophobicContact CG-CE3 3.8Å; E175-W201 HydrophobicContact CG-CH2 4.2Å; E175-W201 HydrophobicContact CG-CZ3 3.74Å; T177-W201 WeakPolarHBondContact OG1-CA 3.41Å; T177-W201 PolarHBondContact OG1-N 3.26Å; F178-W201 HydrophobicContact CB-CE3 4.34Å; F178-W201 HydrophobicContact CB-CZ3 4.01Å; F178-W201 AromaticContact CD2-CE3 3.9Å; F178-W201 HydrophobicContact CD2-CE3 3.9Å; F178-W201 AromaticContact CD2-CZ3 3.63Å; F178-W201 HydrophobicContact CD2-CZ3 3.63Å; F178-W201 HydrophobicContact CE2-CZ3 4.35Å; F178-W201 HydrophobicContact CG-CE3 4.46Å; F178-W201 AromaticContact CG-CZ3 3.95Å; F178-W201 HydrophobicContact CG-CZ3 3.95Å; W201-D203 PolarHBondContact O-N 3.39Å; W201-S223 VanDerWaalsContact O-CB 3.31Å; W201-S223 WeakPolarHBondContact O-CB 3.4Å; W201-L226 HydrophobicContact CB-CD2 4.49Å; W201-L226 HydrophobicContact CG-CD2 4.16Å; W201-L226 PolarHBondContact NE1-O 3.45Å
202	R	98.3	Very high	96.8	Very high	48 Å²	48	30.4 Å²	30.4	18%	0.181	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	25.8	176.6	-64.3	178	170.8	176.1	-3	115.4	E175 S200 M204 L226 S227 T228 W229 G230	E175-R202 HydrophobicContact CB-CG 4.42Å; E175-R202 HydrophobicContact CG-CG 3.85Å; E175-R202 PolarHBondContact OE1-N 3.02Å; S200-R202 PolarHBondContact O-N 3.44Å; R202-M204 VanDerWaalsContact O-CE 3.24Å; R202-M204 WeakPolarHBondContact O-CE 3.42Å; R202-L226 PolarHBondContact NH1-O 3.03Å; R202-L226 VanDerWaalsContact NH1-O 3.17Å; R202-S227 PolarHBondContact NH1-O 3.38Å; R202-T228 WeakPolarHBondContact CD-O 3.29Å; R202-W229 HydrophobicContact CB-CB 4.38Å; R202-W229 HydrophobicContact CB-CG 3.94Å; R202-W229 VanDerWaalsContact CD-CE2 3.42Å; R202-W229 HydrophobicContact CG-CD2 4.38Å; R202-W229 HydrophobicContact CG-CG 4.25Å; R202-W229 VanDerWaalsContact NE-CZ2 3.29Å; R202-W229 VanDerWaalsContact NH2-CH2 3.34Å; R202-G230 PolarHBondContact O-N 3.17Å
203	D	98.5	Very high	96.2	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	19%	0.185	C	C	.	.			trans	-70.3	141.6	170.2	-71.9	-4.1	0	0	0	111.4	L199 S200 W201 H220 S221 K222 S223	L199-D203 HydrophobicContact CD2-CB 4.27Å; S200-D203 PolarHBondContact N-OD2 2.95Å; S200-D203 VanDerWaalsContact O-CB 3.27Å; S200-D203 WeakPolarHBondContact O-CB 3.39Å; S200-D203 PolarHBondContact O-N 2.89Å; S200-D203 VanDerWaalsContact OG-CG 3.31Å; S200-D203 PolarHBondContact OG-OD1 2.95Å; S200-D203 PolarHBondContact OG-OD2 2.91Å; W201-D203 PolarHBondContact O-N 3.39Å; D203-H220 IonicContact OD2-CD2 3.58Å; D203-H220 IonicContact OD2-CE1 2.81Å; D203-H220 IonicContact OD2-NE2 2.78Å; D203-H220 PolarHBondContact OD2-NE2 3.41Å; D203-S221 WeakPolarHBondContact CA-O 3.29Å; D203-K222 VanDerWaalsContact OD1-CA 3.26Å; D203-K222 WeakPolarHBondContact OD1-CA 3.35Å; D203-K222 WeakPolarHBondContact OD1-CG 3.25Å; D203-S223 PolarHBondContact OD1-N 3.27Å
204	M	98.6	Very high	96.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	132.3	172.6	-60.5	-59	111.7	0	0	109.3	S101 R102 D174 R202 H220 S221 W229 G230 V233	S101-M204 WeakPolarHBondContact CA-SD 3.41Å; R102-M204 PolarHBondContact N-SD 3.28Å; D174-M204 WeakPolarHBondContact O-CE 3.38Å; R202-M204 VanDerWaalsContact O-CE 3.24Å; R202-M204 WeakPolarHBondContact O-CE 3.42Å; M204-H220 CarbonylContact O-C 3.53Å; M204-H220 VanDerWaalsContact O-CA 3.31Å; M204-H220 WeakPolarHBondContact O-CA 3.3Å; M204-S221 PolarHBondContact N-O 3.42Å; M204-S221 PolarHBondContact O-N 3.38Å; M204-W229 HydrophobicContact CE-CB 4.42Å; M204-W229 HydrophobicContact CE-CG 4.49Å; M204-G230 VanDerWaalsContact CG-O 3.24Å; M204-G230 WeakPolarHBondContact CG-O 3.26Å; M204-V233 HydrophobicContact CB-CG2 4.1Å
205	W	98.8	Very high	96.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	139.9	-170.2	178	59.9	0	0	0	112	S100 F170 T171 V172 L188 L199 L207 E218 K219	S100-W205 VanDerWaalsContact CB-O 3.3Å; S100-W205 WeakPolarHBondContact CB-O 3.47Å; S100-W205 PolarHBondContact OG-N 2.76Å; S100-W205 VanDerWaalsContact OG-N 3.09Å; S100-W205 PolarHBondContact OG-O 3.12Å; F170-W205 HydrophobicContact CB-CE3 4.45Å; F170-W205 HydrophobicContact CB-CH2 3.97Å; F170-W205 HydrophobicContact CB-CZ3 3.82Å; F170-W205 HydrophobicContact CD1-CH2 4.31Å; F170-W205 HydrophobicContact CD1-CZ3 4.31Å; F170-W205 HydrophobicContact CG-CH2 4.07Å; F170-W205 HydrophobicContact CG-CZ3 4.24Å; T171-W205 WeakPolarHBondContact CA-O 3.44Å; V172-W205 HydrophobicContact CG2-CB 4.07Å; V172-W205 HydrophobicContact CG2-CE3 4.01Å; V172-W205 PolarHBondContact N-O 3.37Å; V172-W205 VanDerWaalsContact N-O 3.12Å; L188-W205 HydrophobicContact CD1-CH2 3.82Å; L188-W205 HydrophobicContact CD1-CZ3 4.09Å; L188-W205 HydrophobicContact CD2-CH2 4.11Å; L188-W205 HydrophobicContact CG-CH2 4.4Å; L199-W205 HydrophobicContact CD1-CD2 3.86Å; L199-W205 HydrophobicContact CD1-CE3 3.83Å; L199-W205 HydrophobicContact CD1-CG 4.25Å; L199-W205 HydrophobicContact CD1-CZ3 4.27Å; L199-W205 HydrophobicContact CD2-CB 3.73Å; L199-W205 HydrophobicContact CD2-CD2 4.28Å; L199-W205 HydrophobicContact CD2-CG 3.78Å; W205-L207 HydrophobicContact CH2-CB 4.19Å; W205-L207 HydrophobicContact CH2-CD2 4.14Å; W205-L207 HydrophobicContact CZ2-CB 3.61Å; W205-L207 HydrophobicContact CZ2-CD2 3.8Å; W205-L207 HydrophobicContact CZ2-CG 4.29Å; W205-E218 PolarHBondContact NE1-OE1 3.2Å; W205-K219 WeakPolarHBondContact CA-O 3.31Å
206	T	98.8	Very high	96.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	141.8	174.4	56.7	0	0	0	0	109.9	V98 F170 E218 K219 V233 L235	V98-T206 HydrophobicContact CB-CG2 4.15Å; V98-T206 HydrophobicContact CG1-CG2 3.59Å; F170-T206 VanDerWaalsContact O-CA 3.27Å; F170-T206 WeakPolarHBondContact O-CA 3.45Å; T206-E218 VanDerWaalsContact O-CA 3.3Å; T206-E218 WeakPolarHBondContact O-CA 3.37Å; T206-E218 WeakPolarHBondContact O-CG 3.39Å; T206-K219 PolarHBondContact N-O 2.55Å; T206-K219 PolarHBondContact O-N 3.34Å; T206-K219 PolarHBondContact OG1-N 2.74Å; T206-K219 PolarHBondContact OG1-O 2.76Å; T206-V233 HydrophobicContact CG2-CG2 3.94Å; T206-L235 WeakPolarHBondContact OG1-CB 3.27Å
207	L	98.6	Very high	96.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	134.8	175.5	173.5	71.5	0	0	0	109.9	I169 F170 W205 V209 V215 E218	I169-L207 CarbonylContact C-O 3.55Å; I169-L207 WeakPolarHBondContact CA-O 3.46Å; F170-L207 HydrophobicContact CB-CB 4.15Å; F170-L207 HydrophobicContact CD2-CB 4.04Å; F170-L207 HydrophobicContact CD2-CD2 3.76Å; F170-L207 HydrophobicContact CD2-CG 4.1Å; F170-L207 HydrophobicContact CE2-CD2 4.01Å; F170-L207 HydrophobicContact CG-CB 4.47Å; F170-L207 PolarHBondContact N-O 2.55Å; F170-L207 PolarHBondContact O-N 3.48Å; W205-L207 HydrophobicContact CH2-CB 4.19Å; W205-L207 HydrophobicContact CH2-CD2 4.14Å; W205-L207 HydrophobicContact CZ2-CB 3.61Å; W205-L207 HydrophobicContact CZ2-CD2 3.8Å; W205-L207 HydrophobicContact CZ2-CG 4.29Å; L207-V209 HydrophobicContact CD1-CB 4.34Å; L207-V209 HydrophobicContact CD2-CB 4.37Å; L207-V209 HydrophobicContact CD2-CG1 3.93Å; L207-V209 HydrophobicContact CG-CB 4.2Å; L207-V209 HydrophobicContact CG-CG1 4.13Å; L207-V215 HydrophobicContact CD1-CG1 3.92Å; L207-E218 HydrophobicContact CD1-CB 3.96Å; L207-E218 HydrophobicContact CD1-CG 4.1Å
208	V	98.7	Very high	96.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	120.4	168.7	-178.4	0	0	0	0	108.5	I96 V98 I167 L168 I169 Y216 G217 L235 T237 V239	I96-V208 HydrophobicContact CD1-CG1 4.17Å; I96-V208 HydrophobicContact CG2-CG2 4.12Å; V98-V208 HydrophobicContact CG2-CG2 3.6Å; I167-V208 HydrophobicContact CG2-CG1 4.14Å; L168-V208 WeakPolarHBondContact O-CA 3.38Å; I169-V208 HydrophobicContact CG1-CG1 4.39Å; I169-V208 HydrophobicContact CG1-CG2 4.31Å; I169-V208 HydrophobicContact CG2-CG2 4.26Å; V208-Y216 HydrophobicContact CG1-CD2 4.12Å; V208-Y216 HydrophobicContact CG1-CG 4.46Å; V208-Y216 PolarHBondContact O-N 3.47Å; V208-G217 PolarHBondContact N-O 2.94Å; V208-G217 PolarHBondContact O-N 3.41Å; V208-L235 HydrophobicContact CB-CD2 4.38Å; V208-L235 HydrophobicContact CG2-CD2 3.75Å; V208-T237 HydrophobicContact CB-CG2 4.03Å; V208-T237 HydrophobicContact CG1-CG2 4.13Å; V208-T237 HydrophobicContact CG2-CG2 4.09Å; V208-V239 HydrophobicContact CG1-CG2 3.85Å
209	V	98	Very high	96.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	143.2	-170.4	66.8	0	0	0	0	112.3	L168 F170 L191 L207 Q214 V215	L168-V209 HydrophobicContact CB-CG1 3.86Å; L168-V209 HydrophobicContact CD1-CG1 4.43Å; L168-V209 PolarHBondContact N-O 2.81Å; L168-V209 PolarHBondContact O-N 2.95Å; F170-V209 HydrophobicContact CE2-CG1 4.03Å; L191-V209 WeakPolarHBondContact O-CG2 3.2Å; L207-V209 HydrophobicContact CD1-CB 4.34Å; L207-V209 HydrophobicContact CD2-CB 4.37Å; L207-V209 HydrophobicContact CD2-CG1 3.93Å; L207-V209 HydrophobicContact CG-CB 4.2Å; L207-V209 HydrophobicContact CG-CG1 4.13Å; V209-Q214 CarbonylContact C-O 3.47Å; V209-Q214 WeakPolarHBondContact CA-O 3.18Å; V209-Q214 WeakPolarHBondContact CG2-O 3.29Å; V209-V215 HydrophobicContact CG2-CG2 3.9Å
210	K	96.9	Very high	96.6	Very high	44 Å²	44	35 Å²	35	19%	0.191	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	122.8	166.2	-163.8	170.8	-174.8	171	0	109	G165 R166 I167 G212 G213 Q214 Y216 T242	G165-K210 WeakPolarHBondContact O-CE 3.38Å; G165-K210 VanDerWaalsContact O-CG 3.31Å; G165-K210 WeakPolarHBondContact O-CG 3.47Å; R166-K210 WeakPolarHBondContact O-CA 3.48Å; I167-K210 HydrophobicContact CD1-CB 4.12Å; I167-K210 HydrophobicContact CD1-CD 4.46Å; I167-K210 HydrophobicContact CD1-CG 4.05Å; K210-G212 PolarHBondContact O-N 3.31Å; K210-G213 PolarHBondContact O-N 2.79Å; K210-Q214 HydrophobicContact CB-CB 4.06Å; K210-Q214 PolarHBondContact N-O 3.15Å; K210-Y216 HydrophobicContact CB-CE2 3.81Å; K210-T242 PolarHBondContact NZ-OG1 2.93Å
211	K	95.2	Very high	96.7	Very high	34 Å²	34	34.4 Å²	34.4	15%	0.148	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	113.5	176.7	-172.9	174.9	179.7	-176.5	0	109.4	L159 N160 V162 R164 G165 R166 L168 L191	L159-K211 WeakPolarHBondContact O-CE 3.43Å; L159-K211 PolarHBondContact O-NZ 3.16Å; N160-K211 PolarHBondContact O-NZ 2.89Å; V162-K211 HydrophobicContact CB-CD 4.2Å; V162-K211 HydrophobicContact CG1-CD 4.16Å; V162-K211 WeakPolarHBondContact O-CD 3.25Å; V162-K211 WeakPolarHBondContact O-CE 3.27Å; V162-K211 PolarHBondContact O-NZ 2.9Å; R164-K211 WeakPolarHBondContact CG-O 3.3Å; G165-K211 PolarHBondContact N-O 2.92Å; R166-K211 PolarHBondContact O-N 3.49Å; L168-K211 HydrophobicContact CD1-CB 3.93Å; L168-K211 HydrophobicContact CD1-CD 4.48Å; L168-K211 HydrophobicContact CD1-CG 4.31Å; L168-K211 HydrophobicContact CG-CB 4.32Å; L191-K211 HydrophobicContact CD2-CG 4.03Å
212	G	89.3	Confident	96.8	Very high	47 Å²	47	37.5 Å²	37.5	49%	0.485	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	126.8	-5.9	-169.4	0	0	0	0	0	114.4	K210	K210-G212 PolarHBondContact O-N 3.31Å
213	G	83	Confident	96.7	Very high	41 Å²	41	36 Å²	36	42%	0.423	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	123.3	-4.1	159.3	0	0	0	0	0	116.4	K210 V215	K210-G213 PolarHBondContact O-N 2.79Å; G213-V215 PolarHBondContact O-N 2.8Å
214	Q	94.1	Very high	96.7	Very high	99 Å²	99	41.1 Å²	41.1	46%	0.463	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	109.7	-179.9	179.3	-179	6.3	0	0	110.6	V209 K210 Y216	V209-Q214 CarbonylContact C-O 3.47Å; V209-Q214 WeakPolarHBondContact CA-O 3.18Å; V209-Q214 WeakPolarHBondContact CG2-O 3.29Å; K210-Q214 HydrophobicContact CB-CB 4.06Å; K210-Q214 PolarHBondContact N-O 3.15Å; Q214-Y216 HydrophobicContact CG-CE1 4.33Å; Q214-Y216 PolarHBondContact OE1-OH 3.34Å
215	V	97.4	Very high	96.5	Very high	56 Å²	56	43.4 Å²	43.4	34%	0.339	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	131.3	174.1	-179	0	0	0	0	109.8	G192 L207 V209 G213	G192-V215 WeakPolarHBondContact O-CG2 3.24Å; L207-V215 HydrophobicContact CD1-CG1 3.92Å; V209-V215 HydrophobicContact CG2-CG2 3.9Å; G213-V215 PolarHBondContact O-N 2.8Å
216	Y	97.7	Very high	96.4	Very high	33 Å²	33	50 Å²	50	13%	0.129	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	-28.8	174.7	-61.6	-82.6	0	0	0	112.1	I167 V208 K210 Q214 T237 V239	I167-Y216 HydrophobicContact CD1-CE2 3.73Å; V208-Y216 HydrophobicContact CG1-CD2 4.12Å; V208-Y216 HydrophobicContact CG1-CG 4.46Å; V208-Y216 PolarHBondContact O-N 3.47Å; K210-Y216 HydrophobicContact CB-CE2 3.81Å; Q214-Y216 HydrophobicContact CG-CE1 4.33Å; Q214-Y216 PolarHBondContact OE1-OH 3.34Å; Y216-T237 PolarHBondContact O-OG1 2.84Å; Y216-V239 HydrophobicContact CD1-CB 4.34Å; Y216-V239 HydrophobicContact CD1-CG1 4.46Å; Y216-V239 HydrophobicContact CD1-CG2 3.98Å; Y216-V239 HydrophobicContact CD2-CG1 4.43Å; Y216-V239 HydrophobicContact CD2-CG2 3.88Å; Y216-V239 HydrophobicContact CE1-CB 4.33Å; Y216-V239 HydrophobicContact CE1-CG1 4.02Å; Y216-V239 HydrophobicContact CE1-CG2 4.37Å; Y216-V239 HydrophobicContact CE2-CG1 3.96Å; Y216-V239 HydrophobicContact CE2-CG2 4.25Å; Y216-V239 HydrophobicContact CG-CG2 3.72Å
217	G	98.1	Very high	96.2	Very high	13 Å²	13	54.5 Å²	54.5	13%	0.134	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177	151.4	175.7	0	0	0	0	0	112.4	V208 L235	V208-G217 PolarHBondContact N-O 2.94Å; V208-G217 PolarHBondContact O-N 3.41Å; G217-L235 WeakPolarHBondContact O-CD2 3.39Å
218	E	98.6	Very high	96.2	Very high	43 Å²	43	57 Å²	57	20%	0.201	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	137.3	176.3	-173.3	171	-154	0	0	108.5	S193 Q194 A195 W205 T206 L207	S193-E218 WeakPolarHBondContact CB-OE1 3.21Å; S193-E218 PolarHBondContact OG-OE1 2.84Å; Q194-E218 PolarHBondContact N-OE2 3.36Å; A195-E218 WeakPolarHBondContact CB-OE1 3.44Å; A195-E218 PolarHBondContact N-OE1 3.32Å; W205-E218 PolarHBondContact NE1-OE1 3.2Å; T206-E218 VanDerWaalsContact O-CA 3.3Å; T206-E218 WeakPolarHBondContact O-CA 3.37Å; T206-E218 WeakPolarHBondContact O-CG 3.39Å; L207-E218 HydrophobicContact CD1-CB 3.96Å; L207-E218 HydrophobicContact CD1-CG 4.1Å
219	K	98.6	Very high	96.1	Very high	99 Å²	99	59 Å²	59	43%	0.43	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	144.5	168.5	-73.3	-168.6	179.7	-176.1	0	110.2	W205 T206 V233 L234 L235	W205-K219 WeakPolarHBondContact CA-O 3.31Å; T206-K219 PolarHBondContact N-O 2.55Å; T206-K219 PolarHBondContact O-N 3.34Å; T206-K219 PolarHBondContact OG1-N 2.74Å; T206-K219 PolarHBondContact OG1-O 2.76Å; K219-V233 HydrophobicContact CB-CB 4.05Å; K219-V233 HydrophobicContact CB-CG1 4.48Å; K219-V233 HydrophobicContact CB-CG2 4.34Å; K219-L234 VanDerWaalsContact CD-O 3.25Å; K219-L234 WeakPolarHBondContact CD-O 3.3Å; K219-L234 VanDerWaalsContact CE-O 3.29Å; K219-L234 WeakPolarHBondContact CE-O 3.48Å; K219-L234 PolarHBondContact NZ-O 2.87Å; K219-L235 HydrophobicContact CD-CB 4.33Å; K219-L235 HydrophobicContact CG-CB 4.28Å; K219-L235 HydrophobicContact CG-CD1 4.19Å
220	H	98.4	Very high	96.1	Very high	75 Å²	75	59.2 Å²	59.2	35%	0.347	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	142.3	-178.5	168.3	-114.1	0	0	0	109.8	A195 D203 M204	A195-H220 HydrophobicContact CB-CB 3.92Å; D203-H220 IonicContact OD2-CD2 3.58Å; D203-H220 IonicContact OD2-CE1 2.81Å; D203-H220 IonicContact OD2-NE2 2.78Å; D203-H220 PolarHBondContact OD2-NE2 3.41Å; M204-H220 CarbonylContact O-C 3.53Å; M204-H220 VanDerWaalsContact O-CA 3.31Å; M204-H220 WeakPolarHBondContact O-CA 3.3Å
221	S	98.5	Very high	96.2	Very high	21 Å²	21	62.9 Å²	62.9	15%	0.147	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	125.3	170.5	-178.3	0	0	0	0	109.1	D203 M204 D231	D203-S221 WeakPolarHBondContact CA-O 3.29Å; M204-S221 PolarHBondContact N-O 3.42Å; M204-S221 PolarHBondContact O-N 3.38Å; S221-D231 WeakPolarHBondContact CB-O 3.18Å; S221-D231 PolarHBondContact OG-N 3.44Å; S221-D231 PolarHBondContact OG-O 3.23Å
222	K	98	Very high	96.4	Very high	133 Å²	133	64.9 Å²	64.9	58%	0.578	38%	0.379	S	S	*	.			trans	-85.6	139.1	-176.1	-165.9	170.8	-175.7	165.2	0	110.9	S200 D203	S200-K222 WeakPolarHBondContact OG-CE 3.41Å; D203-K222 VanDerWaalsContact OD1-CA 3.26Å; D203-K222 WeakPolarHBondContact OD1-CA 3.35Å; D203-K222 WeakPolarHBondContact OD1-CG 3.25Å
223	S	98.1	Very high	96.8	Very high	16 Å²	16	63.4 Å²	63.4	11%	0.112	36%	0.36	C	S	.	.			trans	-66.3	130.3	171.4	-172.2	0	0	0	0	111.1	W201 D203 A225 T228	W201-S223 VanDerWaalsContact O-CB 3.31Å; W201-S223 WeakPolarHBondContact O-CB 3.4Å; D203-S223 PolarHBondContact OD1-N 3.27Å; S223-A225 VanDerWaalsContact C-N 3.32Å; S223-A225 PolarHBondContact O-N 2.67Å; S223-A225 PolarHBondContact OG-O 3.17Å; S223-T228 PolarHBondContact OG-O 3.35Å; S223-T228 PolarHBondContact OG-OG1 3.29Å
224	P	96.8	Very high	97.6	Very high	110 Å²	110	64.2 Å²	64.2	71%	0.714	36%	0.355	S	S	*	.	S	Bend	trans	-75	-21.2	-179.1	26.7	-31.2	0	0	0	113.3	T228	P224-T228 WeakPolarHBondContact CD-OG1 3.36Å; P224-T228 VanDerWaalsContact CG-OG1 3.32Å; P224-T228 WeakPolarHBondContact CG-OG1 3.25Å
225	A	96.1	Very high	97.8	Very high	47 Å²	47	59.9 Å²	59.9	39%	0.388	34%	0.335	S	S	.	.	S	Bend	trans	-155.6	162.2	179.8	0	0	0	0	0	111.5	S223 S227 T228	S223-A225 VanDerWaalsContact C-N 3.32Å; S223-A225 PolarHBondContact O-N 2.67Å; S223-A225 PolarHBondContact OG-O 3.17Å; A225-S227 PolarHBondContact O-N 2.87Å; A225-T228 PolarHBondContact N-OG1 3.14Å; A225-T228 PolarHBondContact O-N 3.16Å; A225-T228 VanDerWaalsContact O-N 3.11Å; A225-T228 PolarHBondContact O-OG1 3Å; A225-T228 VanDerWaalsContact O-OG1 3.14Å
226	L	95.3	Very high	97.8	Very high	139 Å²	139	63 Å²	63	73%	0.728	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-28.9	179.7	-67.1	174.6	0	0	0	113.6	W201 R202	W201-L226 HydrophobicContact CB-CD2 4.49Å; W201-L226 HydrophobicContact CG-CD2 4.16Å; W201-L226 PolarHBondContact NE1-O 3.45Å; R202-L226 PolarHBondContact NH1-O 3.03Å; R202-L226 VanDerWaalsContact NH1-O 3.17Å
227	S	95.8	Very high	97.8	Very high	94 Å²	94	62.9 Å²	62.9	66%	0.657	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-11.8	179.6	54.4	0	0	0	0	113.8	R202 A225	R202-S227 PolarHBondContact NH1-O 3.38Å; A225-S227 PolarHBondContact O-N 2.87Å
228	T	97.1	Very high	97.8	Very high	53 Å²	53	68.2 Å²	68.2	33%	0.325	37%	0.368	S	S	.	.	S	Bend	trans	-113	177.5	-178.5	59.2	0	0	0	0	111.1	R202 S223 P224 A225	R202-T228 WeakPolarHBondContact CD-O 3.29Å; S223-T228 PolarHBondContact OG-O 3.35Å; S223-T228 PolarHBondContact OG-OG1 3.29Å; P224-T228 WeakPolarHBondContact CD-OG1 3.36Å; P224-T228 VanDerWaalsContact CG-OG1 3.32Å; P224-T228 WeakPolarHBondContact CG-OG1 3.25Å; A225-T228 PolarHBondContact N-OG1 3.14Å; A225-T228 PolarHBondContact O-N 3.16Å; A225-T228 VanDerWaalsContact O-N 3.11Å; A225-T228 PolarHBondContact O-OG1 3Å; A225-T228 VanDerWaalsContact O-OG1 3.14Å
229	W	98.1	Very high	97.6	Very high	41 Å²	41	66.2 Å²	66.2	16%	0.155	36%	0.358	C	S	.	.			trans	-117.3	160.6	173.5	-76.2	-106.7	0	0	0	108.8	R102 D174 R202 M204	R102-W229 HydrophobicContact CB-CB 4.23Å; R102-W229 HydrophobicContact CB-CD2 4.32Å; R102-W229 HydrophobicContact CB-CG 3.86Å; R102-W229 VanDerWaalsContact CD-CD2 3.48Å; R102-W229 HydrophobicContact CG-CD2 3.78Å; R102-W229 HydrophobicContact CG-CE3 4.44Å; R102-W229 HydrophobicContact CG-CG 3.86Å; R102-W229 HydrophobicContact CG-CZ2 4.24Å; R102-W229 VanDerWaalsContact CZ-CH2 3.5Å; D174-W229 PolarHBondContact O-NE1 3.25Å; D174-W229 VanDerWaalsContact OD1-CE2 3.31Å; D174-W229 WeakPolarHBondContact OD1-CZ2 3.45Å; D174-W229 PolarHBondContact OD1-NE1 3.39Å; R202-W229 HydrophobicContact CB-CB 4.38Å; R202-W229 HydrophobicContact CB-CG 3.94Å; R202-W229 VanDerWaalsContact CD-CE2 3.42Å; R202-W229 HydrophobicContact CG-CD2 4.38Å; R202-W229 HydrophobicContact CG-CG 4.25Å; R202-W229 VanDerWaalsContact NE-CZ2 3.29Å; R202-W229 VanDerWaalsContact NH2-CH2 3.34Å; M204-W229 HydrophobicContact CE-CB 4.42Å; M204-W229 HydrophobicContact CE-CG 4.49Å
230	G	98.1	Very high	97.4	Very high	6 Å²	6	67 Å²	67	6%	0.062	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-60.1	149.2	165.7	0	0	0	0	0	111.2	R202 M204	R202-G230 PolarHBondContact O-N 3.17Å; M204-G230 VanDerWaalsContact CG-O 3.24Å; M204-G230 WeakPolarHBondContact CG-O 3.26Å
231	D	98.4	Very high	97.1	Very high	121 Å²	121	65.4 Å²	65.4	65%	0.647	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-57.8	144.5	173.8	-69.2	-37.1	0	0	0	110.8	S221 V233	S221-D231 WeakPolarHBondContact CB-O 3.18Å; S221-D231 PolarHBondContact OG-N 3.44Å; S221-D231 PolarHBondContact OG-O 3.23Å; D231-V233 PolarHBondContact O-N 3.38Å
232	P	98.6	Very high	96.7	Very high	76 Å²	76	65.4 Å²	65.4	49%	0.494	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-55.9	139.4	176.5	-24.2	33.6	0	0	0	112.5	Y99 S100	Y99-P232 HydrophobicContact CE2-CB 3.83Å; Y99-P232 WeakPolarHBondContact OH-CB 3.28Å; S100-P232 WeakPolarHBondContact O-CA 3.44Å
233	V	98.5	Very high	96.2	Very high	15 Å²	15	61.7 Å²	61.7	9%	0.091	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	134.3	177.6	-62.6	0	0	0	0	111	Y99 S100 M204 T206 K219 D231	Y99-V233 WeakPolarHBondContact CA-O 3.44Å; Y99-V233 WeakPolarHBondContact CD2-O 3.1Å; S100-V233 PolarHBondContact N-O 3.34Å; S100-V233 PolarHBondContact O-N 2.92Å; M204-V233 HydrophobicContact CB-CG2 4.1Å; T206-V233 HydrophobicContact CG2-CG2 3.94Å; K219-V233 HydrophobicContact CB-CB 4.05Å; K219-V233 HydrophobicContact CB-CG1 4.48Å; K219-V233 HydrophobicContact CB-CG2 4.34Å; D231-V233 PolarHBondContact O-N 3.38Å
234	L	98.6	Very high	95.4	Very high	58 Å²	58	63.8 Å²	63.8	30%	0.304	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	109.2	173.1	176.8	60.7	0	0	0	109.3	E97 V98 Y99 Y106 K219 K236	E97-L234 HydrophobicContact CB-CD1 4.49Å; V98-L234 WeakPolarHBondContact O-CA 3.15Å; Y99-L234 HydrophobicContact CD2-CB 4.19Å; Y99-L234 HydrophobicContact CD2-CD1 4.39Å; Y106-L234 VanDerWaalsContact OH-CD1 3.3Å; Y106-L234 WeakPolarHBondContact OH-CD1 3.44Å; K219-L234 VanDerWaalsContact CD-O 3.25Å; K219-L234 WeakPolarHBondContact CD-O 3.3Å; K219-L234 VanDerWaalsContact CE-O 3.29Å; K219-L234 WeakPolarHBondContact CE-O 3.48Å; K219-L234 PolarHBondContact NZ-O 2.87Å; L234-K236 HydrophobicContact CG-CG 4.35Å
235	L	98.6	Very high	94.7	Very high	8 Å²	8	66 Å²	66	4%	0.042	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	129.8	171.4	172	64.6	0	0	0	109.2	E97 V98 T206 V208 G217 K219	E97-L235 CarbonylContact C-O 3.48Å; E97-L235 WeakPolarHBondContact CA-O 3.48Å; V98-L235 HydrophobicContact CB-CB 4.34Å; V98-L235 PolarHBondContact N-O 3.39Å; V98-L235 PolarHBondContact O-N 2.79Å; T206-L235 WeakPolarHBondContact OG1-CB 3.27Å; V208-L235 HydrophobicContact CB-CD2 4.38Å; V208-L235 HydrophobicContact CG2-CD2 3.75Å; G217-L235 WeakPolarHBondContact O-CD2 3.39Å; K219-L235 HydrophobicContact CD-CB 4.33Å; K219-L235 HydrophobicContact CG-CB 4.28Å; K219-L235 HydrophobicContact CG-CD1 4.19Å
236	K	98.3	Very high	93.9	Very high	123 Å²	123	70.9 Å²	70.9	54%	0.535	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	128.5	167	-59.5	-163.2	178	-148.8	0	107.8	I96 E97 L234	I96-K236 WeakPolarHBondContact O-CA 3.42Å; E97-K236 VanDerWaalsContact CD-CE 3.44Å; E97-K236 HydrophobicContact CG-CD 4.26Å; E97-K236 HydrophobicContact CG-CG 4.07Å; E97-K236 WeakPolarHBondContact OE1-CE 3.32Å; E97-K236 IonicContact OE1-NZ 2.78Å; E97-K236 PolarHBondContact OE1-NZ 2.75Å; E97-K236 VanDerWaalsContact OE2-CE 3.26Å; E97-K236 WeakPolarHBondContact OE2-CE 3.44Å; E97-K236 IonicContact OE2-NZ 3.78Å; E97-K236 PolarHBondContact OE2-NZ 2.76Å; E97-K236 VanDerWaalsContact OE2-NZ 3.1Å; L234-K236 HydrophobicContact CG-CG 4.35Å
237	T	98	Very high	93.1	Very high	29 Å²	29	65 Å²	65	18%	0.178	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	163.4	179.1	-167.3	0	0	0	0	111.5	I96 V208 Y216	I96-T237 HydrophobicContact CB-CG2 4.43Å; I96-T237 PolarHBondContact N-O 2.89Å; I96-T237 PolarHBondContact O-N 3.33Å; V208-T237 HydrophobicContact CB-CG2 4.03Å; V208-T237 HydrophobicContact CG1-CG2 4.13Å; V208-T237 HydrophobicContact CG2-CG2 4.09Å; Y216-T237 PolarHBondContact O-OG1 2.84Å
238	E	96.9	Very high	92.5	Very high	125 Å²	125	64.8 Å²	64.8	58%	0.584	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110	128.2	179.8	-83.1	-178.9	-160.5	0	0	109.8	V93 L94	V93-E238 HydrophobicContact CG1-CB 3.48Å; V93-E238 VanDerWaalsContact CG1-CB 3.48Å; V93-E238 HydrophobicContact CG1-CG 3.73Å; L94-E238 CarbonylContact O-C 3.53Å; L94-E238 WeakPolarHBondContact O-CA 3.47Å
239	V	95.8	Very high	92	Very high	1 Å²	1	63.4 Å²	63.4	1%	0.006	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	119.6	179.7	174.1	0	0	0	0	110.3	V93 L94 I96 I167 V208 Y216 L241	V93-V239 CarbonylContact C-O 3.58Å; V93-V239 VanDerWaalsContact CA-O 3.29Å; V93-V239 WeakPolarHBondContact CA-O 3.44Å; L94-V239 HydrophobicContact CB-CB 4.35Å; L94-V239 PolarHBondContact N-O 2.8Å; L94-V239 PolarHBondContact O-N 2.9Å; I96-V239 HydrophobicContact CD1-CB 4.1Å; I96-V239 HydrophobicContact CD1-CG2 3.45Å; I96-V239 VanDerWaalsContact CD1-CG2 3.45Å; I96-V239 HydrophobicContact CG1-CG2 4.12Å; I167-V239 HydrophobicContact CD1-CG1 3.65Å; I167-V239 HydrophobicContact CG1-CG1 3.99Å; I167-V239 HydrophobicContact CG2-CG1 4.49Å; V208-V239 HydrophobicContact CG1-CG2 3.85Å; Y216-V239 HydrophobicContact CD1-CB 4.34Å; Y216-V239 HydrophobicContact CD1-CG1 4.46Å; Y216-V239 HydrophobicContact CD1-CG2 3.98Å; Y216-V239 HydrophobicContact CD2-CG1 4.43Å; Y216-V239 HydrophobicContact CD2-CG2 3.88Å; Y216-V239 HydrophobicContact CE1-CB 4.33Å; Y216-V239 HydrophobicContact CE1-CG1 4.02Å; Y216-V239 HydrophobicContact CE1-CG2 4.37Å; Y216-V239 HydrophobicContact CE2-CG1 3.96Å; Y216-V239 HydrophobicContact CE2-CG2 4.25Å; Y216-V239 HydrophobicContact CG-CG2 3.72Å; V239-L241 PolarHBondContact O-N 2.89Å
240	Q	93.2	Very high	91.6	Very high	117 Å²	117	69.2 Å²	69.2	55%	0.547	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	125.7	175.1	-65.9	-133.1	12.9	0	0	112	K92 V93	K92-Q240 CarbonylContact O-C 3.47Å; K92-Q240 WeakPolarHBondContact O-CA 3.35Å; V93-Q240 HydrophobicContact CG2-CG 4.25Å
241	L	92.2	Very high	91.4	Very high	40 Å²	40	71.2 Å²	71.2	21%	0.209	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-70.7	140.1	175.1	-70.2	178.1	0	0	0	110.8	K92 L94 Q133 V239	K92-L241 PolarHBondContact O-N 2.87Å; L94-L241 HydrophobicContact CD1-CD2 3.47Å; L94-L241 VanDerWaalsContact CD1-CD2 3.47Å; L94-L241 HydrophobicContact CD1-CG 4.33Å; L94-L241 HydrophobicContact CD2-CD1 4.18Å; L94-L241 HydrophobicContact CD2-CD2 4.14Å; L94-L241 HydrophobicContact CD2-CG 4.38Å; L94-L241 HydrophobicContact CG-CD1 4.25Å; L94-L241 HydrophobicContact CG-CD2 3.59Å; L94-L241 HydrophobicContact CG-CG 3.91Å; Q133-L241 WeakPolarHBondContact O-CA 3.21Å; Q133-L241 WeakPolarHBondContact O-CD2 3.4Å; V239-L241 PolarHBondContact O-N 2.89Å
242	T	89.8	Confident	91.2	Very high	21 Å²	21	68.8 Å²	68.8	13%	0.129	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-88.9	149.8	174.4	-49.7	0	0	0	0	109.4	Q133 A134 K210 E246	Q133-T242 HydrophobicContact CG-CG2 4.48Å; Q133-T242 PolarHBondContact O-N 2.86Å; A134-T242 WeakPolarHBondContact CA-O 3.33Å; A134-T242 WeakPolarHBondContact CB-O 3.34Å; K210-T242 PolarHBondContact NZ-OG1 2.93Å; T242-E246 HydrophobicContact CG2-CB 3.77Å; T242-E246 VanDerWaalsContact CG2-OE2 3.22Å; T242-E246 WeakPolarHBondContact CG2-OE2 3.28Å
243	A	87.5	Confident	91	Very high	55 Å²	55	70.9 Å²	70.9	46%	0.455	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-58.9	143.3	174.3	0	0	0	0	0	110.8	E245 E246 A247	A243-E245 PolarHBondContact O-N 2.93Å; A243-E246 HydrophobicContact CB-CG 4.5Å; A243-E246 PolarHBondContact O-N 2.8Å; A243-E246 VanDerWaalsContact O-N 3.11Å; A243-A247 PolarHBondContact O-N 2.9Å
244	A	82.8	Confident	90.9	Very high	60 Å²	60	73.1 Å²	73.1	50%	0.496	39%	0.388	S	S	.	.	H	α-helix	trans	-58.1	-37.7	-178.3	0	0	0	0	0	112.3	E246 A247 E248	A244-E246 VanDerWaalsContact C-N 3.29Å; A244-E246 PolarHBondContact O-N 2.94Å; A244-A247 PolarHBondContact O-N 3.17Å; A244-E248 PolarHBondContact O-N 2.87Å; A244-E248 VanDerWaalsContact O-N 3.15Å
245	E	80.4	Confident	90.7	Very high	156 Å²	156	76.1 Å²	76.1	73%	0.729	40%	0.401	S	S	*	.	H	α-helix	trans	-59.5	-37.4	177.8	-65.3	169.7	-172.6	0	0	112.7	A243 A247	A243-E245 PolarHBondContact O-N 2.93Å; E245-A247 VanDerWaalsContact C-N 3.33Å
246	E	79.6	Confident	90.5	Very high	151 Å²	151	77.6 Å²	77.6	71%	0.706	41%	0.409	S	S	*	.	H	α-helix	trans	-80.9	-15.7	177.5	-65.9	179.6	-179.3	0	0	112.7	T242 A243 A244	T242-E246 HydrophobicContact CG2-CB 3.77Å; T242-E246 VanDerWaalsContact CG2-OE2 3.22Å; T242-E246 WeakPolarHBondContact CG2-OE2 3.28Å; A243-E246 HydrophobicContact CB-CG 4.5Å; A243-E246 PolarHBondContact O-N 2.8Å; A243-E246 VanDerWaalsContact O-N 3.11Å; A244-E246 VanDerWaalsContact C-N 3.29Å; A244-E246 PolarHBondContact O-N 2.94Å
247	A	78.2	Confident	90.4	Very high	15 Å²	15	72.9 Å²	72.9	12%	0.124	39%	0.389	C	S	.	.	H	α-helix	trans	-91	-18	-179.7	0	0	0	0	0	113.5	Q133 A134 A243 A244 E245	Q133-A247 HydrophobicContact CG-CB 4.26Å; Q133-A247 VanDerWaalsContact NE2-CB 3.34Å; A134-A247 HydrophobicContact CB-CB 3.66Å; A243-A247 PolarHBondContact O-N 2.9Å; A244-A247 PolarHBondContact O-N 3.17Å; E245-A247 VanDerWaalsContact C-N 3.33Å
248	E	83.2	Confident	90.3	Very high	90 Å²	90	77.5 Å²	77.5	42%	0.421	40%	0.404	S	S	.	.	S	Bend	trans	-97.3	147.9	179.9	-68.5	-169.6	174	0	0	112.7	A244 K261	A244-E248 PolarHBondContact O-N 2.87Å; A244-E248 VanDerWaalsContact O-N 3.15Å; E248-K261 IonicContact OE1-NZ 3.81Å; E248-K261 WeakPolarHBondContact OE2-CE 3.36Å; E248-K261 IonicContact OE2-NZ 2.68Å; E248-K261 PolarHBondContact OE2-NZ 2.9Å
249	C	87.4	Confident	90.3	Very high	23 Å²	23	74.3 Å²	74.3	16%	0.155	39%	0.386	C	S	.	.			trans	-84.5	140.1	170.4	-58.5	0	0	0	0	110.9	W251 C276	C249-W251 HydrophobicContact CB-CD2 3.77Å; C249-W251 HydrophobicContact CB-CE3 3.98Å; C249-W251 HydrophobicContact CB-CG 4.45Å; C249-W251 HydrophobicContact CB-CH2 3.79Å; C249-W251 HydrophobicContact CB-CZ2 3.57Å; C249-W251 HydrophobicContact CB-CZ3 3.98Å; C249-W251 PolarHBondContact O-N 2.81Å; C249-W251 WeakPolarHBondContact SG-CZ2 3.32Å; C249-C276 VanDerWaalsContact CA-SG 3.59Å; C249-C276 HydrophobicContact CB-CB 3.63Å; C249-C276 WeakPolarHBondContact CB-SG 3.44Å; C249-C276 WeakPolarHBondContact SG-CA 3.46Å; C249-C276 WeakPolarHBondContact SG-CB 3.24Å; C249-C276 CovalentContact SG-SG 2.04Å; C249-C276 PolarHBondContact SG-SG 2.94Å
250	H	89.6	Confident	90.3	Very high	164 Å²	164	74.9 Å²	74.9	76%	0.759	39%	0.388	S	S	*	.			trans	-94.3	67.2	175.8	-57.2	-57.3	0	0	0	112.1
251	W	93.3	Very high	90.4	Very high	47 Å²	47	73.6 Å²	73.6	18%	0.178	38%	0.381	C	S	.	.			trans	-76.1	159.3	171.6	-58.9	-56.9	0	0	0	111.6	C249 N257 R260 K261 C264 S275	C249-W251 HydrophobicContact CB-CD2 3.77Å; C249-W251 HydrophobicContact CB-CE3 3.98Å; C249-W251 HydrophobicContact CB-CG 4.45Å; C249-W251 HydrophobicContact CB-CH2 3.79Å; C249-W251 HydrophobicContact CB-CZ2 3.57Å; C249-W251 HydrophobicContact CB-CZ3 3.98Å; C249-W251 PolarHBondContact O-N 2.81Å; C249-W251 WeakPolarHBondContact SG-CZ2 3.32Å; W251-N257 HydrophobicContact CB-CB 4.12Å; W251-R260 HydrophobicContact CE3-CG 4.36Å; W251-R260 HydrophobicContact CH2-CG 3.88Å; W251-R260 HydrophobicContact CZ2-CG 4.4Å; W251-R260 HydrophobicContact CZ3-CG 3.86Å; W251-K261 HydrophobicContact CZ3-CB 4.3Å; W251-C264 HydrophobicContact CH2-CB 4.14Å; W251-S275 PolarHBondContact NE1-O 2.97Å
252	A	94.2	Very high	90.5	Very high	70 Å²	70	76.7 Å²	76.7	58%	0.579	40%	0.397	S	S	*	.			trans	-59.7	139.5	171.7	0	0	0	0	0	111	T254 N257	A252-T254 HydrophobicContact CB-CG2 4.45Å; A252-T254 PolarHBondContact O-N 3.43Å; A252-N257 VanDerWaalsContact O-CB 3.23Å; A252-N257 WeakPolarHBondContact O-CB 3.42Å; A252-N257 PolarHBondContact O-ND2 3.34Å
253	D	95.5	Very high	90.9	Very high	120 Å²	120	75.9 Å²	75.9	64%	0.642	39%	0.392	S	S	*	.			trans	-74.9	89.9	-179.5	-173.7	29.4	0	0	0	111.3	R258	D253-R258 IonicContact OD1-CZ 3.44Å; D253-R258 IonicContact OD1-NE 2.76Å; D253-R258 PolarHBondContact OD1-NE 2.93Å; D253-R258 IonicContact OD1-NH2 3.28Å; D253-R258 PolarHBondContact OD1-NH2 2.89Å; D253-R258 IonicContact OD2-CZ 3.75Å; D253-R258 IonicContact OD2-NE 3.78Å; D253-R258 IonicContact OD2-NH2 2.83Å; D253-R258 PolarHBondContact OD2-NH2 3.2Å
254	T	96.3	Very high	91.2	Very high	62 Å²	62	73.7 Å²	73.7	38%	0.38	37%	0.373	S	S	.	.			trans	-125.8	158.2	174.8	69	0	0	0	0	109.3	A252 L256 N257 R258	A252-T254 HydrophobicContact CB-CG2 4.45Å; A252-T254 PolarHBondContact O-N 3.43Å; T254-L256 PolarHBondContact O-N 3.12Å; T254-N257 PolarHBondContact O-N 3.43Å; T254-N257 PolarHBondContact OG1-N 3.07Å; T254-N257 PolarHBondContact OG1-ND2 2.87Å; T254-R258 WeakPolarHBondContact O-CG 3.37Å; T254-R258 PolarHBondContact O-N 2.82Å
255	E	94.4	Very high	91.7	Very high	122 Å²	122	73.6 Å²	73.6	57%	0.57	37%	0.368	S	S	*	.	H	α-helix	trans	-56.9	-38.5	178.5	-172.5	58.3	-160.7	0	0	112.6	R258 R259	E255-R258 PolarHBondContact O-N 3.36Å; E255-R258 IonicContact OE2-NH1 3.51Å; E255-R259 PolarHBondContact O-N 3.2Å
256	L	94.8	Very high	92.4	Very high	39 Å²	39	70 Å²	70	20%	0.204	35%	0.35	C	S	.	.	H	α-helix	trans	-59.9	-48.8	173.2	-173.9	160	0	0	0	111.3	T254 R258 R259 R260 I282 E283	T254-L256 PolarHBondContact O-N 3.12Å; L256-R258 VanDerWaalsContact C-N 3.32Å; L256-R258 PolarHBondContact O-N 2.94Å; L256-R259 PolarHBondContact O-N 3.28Å; L256-R260 PolarHBondContact O-N 3.04Å; L256-I282 HydrophobicContact CD1-CG1 4.13Å; L256-I282 HydrophobicContact CD2-CD1 3.69Å; L256-I282 HydrophobicContact CD2-CG1 3.54Å; L256-I282 HydrophobicContact CG-CD1 3.82Å; L256-I282 HydrophobicContact CG-CG1 3.6Å; L256-E283 HydrophobicContact CD1-CB 3.74Å
257	N	96.3	Very high	93.1	Very high	23 Å²	23	63 Å²	63	12%	0.123	32%	0.318	C	S	.	.	H	α-helix	trans	-71.9	-24.1	-179	-74.2	-33.8	0	0	0	113.3	W251 A252 T254 R260 K261	W251-N257 HydrophobicContact CB-CB 4.12Å; A252-N257 VanDerWaalsContact O-CB 3.23Å; A252-N257 WeakPolarHBondContact O-CB 3.42Å; A252-N257 PolarHBondContact O-ND2 3.34Å; T254-N257 PolarHBondContact O-N 3.43Å; T254-N257 PolarHBondContact OG1-N 3.07Å; T254-N257 PolarHBondContact OG1-ND2 2.87Å; N257-R260 PolarHBondContact O-N 3.03Å; N257-R260 PolarHBondContact OD1-NH1 2.89Å; N257-K261 VanDerWaalsContact O-CB 3.27Å; N257-K261 WeakPolarHBondContact O-CB 3.47Å; N257-K261 PolarHBondContact O-N 2.9Å
258	R	95.9	Very high	93.9	Very high	127 Å²	127	62.2 Å²	62.2	48%	0.479	31%	0.312	S	S	.	.	H	α-helix	trans	-65.8	-47.4	171.4	-71.1	174.3	-171.8	165.3	-1.8	111.6	D253 T254 E255 L256 R260 K261 L262	D253-R258 IonicContact OD1-CZ 3.44Å; D253-R258 IonicContact OD1-NE 2.76Å; D253-R258 PolarHBondContact OD1-NE 2.93Å; D253-R258 IonicContact OD1-NH2 3.28Å; D253-R258 PolarHBondContact OD1-NH2 2.89Å; D253-R258 IonicContact OD2-CZ 3.75Å; D253-R258 IonicContact OD2-NE 3.78Å; D253-R258 IonicContact OD2-NH2 2.83Å; D253-R258 PolarHBondContact OD2-NH2 3.2Å; T254-R258 WeakPolarHBondContact O-CG 3.37Å; T254-R258 PolarHBondContact O-N 2.82Å; E255-R258 PolarHBondContact O-N 3.36Å; E255-R258 IonicContact OE2-NH1 3.51Å; L256-R258 VanDerWaalsContact C-N 3.32Å; L256-R258 PolarHBondContact O-N 2.94Å; R258-R260 VanDerWaalsContact C-N 3.34Å; R258-R260 PolarHBondContact O-N 2.86Å; R258-K261 PolarHBondContact O-N 2.97Å; R258-L262 PolarHBondContact O-N 3.11Å
259	R	96.1	Very high	94.4	Very high	58 Å²	58	58 Å²	58	22%	0.219	29%	0.292	C	S	.	.	H	α-helix	trans	-59.3	-45.2	172.5	-68.9	-174.1	-67.4	152.5	-5	111.6	E255 L256 K261 L262 F263 E344 L345 F346	E255-R259 PolarHBondContact O-N 3.2Å; L256-R259 PolarHBondContact O-N 3.28Å; R259-K261 PolarHBondContact O-N 2.8Å; R259-L262 PolarHBondContact O-N 2.66Å; R259-F263 PolarHBondContact O-N 3.03Å; R259-E344 WeakPolarHBondContact CD-O 3.36Å; R259-L345 PolarHBondContact NH1-O 3.03Å; R259-F346 PolarHBondContact NH1-O 2.81Å
260	R	96.5	Very high	94.8	Very high	12 Å²	12	57.4 Å²	57.4	5%	0.045	29%	0.287	C	S	.	.	H	α-helix	trans	-58.4	-45.8	175	-175.7	-180	-72.6	160.2	-12.7	112.2	W251 L256 N257 R258 F263 C264 I273 P279 A280 I282	W251-R260 HydrophobicContact CE3-CG 4.36Å; W251-R260 HydrophobicContact CH2-CG 3.88Å; W251-R260 HydrophobicContact CZ2-CG 4.4Å; W251-R260 HydrophobicContact CZ3-CG 3.86Å; L256-R260 PolarHBondContact O-N 3.04Å; N257-R260 PolarHBondContact O-N 3.03Å; N257-R260 PolarHBondContact OD1-NH1 2.89Å; R258-R260 VanDerWaalsContact C-N 3.34Å; R258-R260 PolarHBondContact O-N 2.86Å; R260-F263 PolarHBondContact O-N 2.9Å; R260-C264 VanDerWaalsContact O-CB 3.31Å; R260-C264 WeakPolarHBondContact O-CB 3.47Å; R260-C264 PolarHBondContact O-N 2.77Å; R260-C264 PolarHBondContact O-SG 3.18Å; R260-C264 VanDerWaalsContact O-SG 3.36Å; R260-I273 WeakPolarHBondContact CD-O 3.43Å; R260-I273 HydrophobicContact CG-CG2 4.36Å; R260-P279 VanDerWaalsContact CZ-CB 3.45Å; R260-P279 VanDerWaalsContact NH1-CB 3.29Å; R260-A280 PolarHBondContact NH2-O 2.93Å; R260-I282 HydrophobicContact CB-CD1 4.09Å
261	K	94.8	Very high	95	Very high	90 Å²	90	50.4 Å²	50.4	39%	0.391	26%	0.259	S	S	.	.	H	α-helix	trans	-62.1	-45.7	179.6	-175	177.4	-178.4	176	0	111.2	E248 W251 N257 R258 R259 F263 S265	E248-K261 IonicContact OE1-NZ 3.81Å; E248-K261 WeakPolarHBondContact OE2-CE 3.36Å; E248-K261 IonicContact OE2-NZ 2.68Å; E248-K261 PolarHBondContact OE2-NZ 2.9Å; W251-K261 HydrophobicContact CZ3-CB 4.3Å; N257-K261 VanDerWaalsContact O-CB 3.27Å; N257-K261 WeakPolarHBondContact O-CB 3.47Å; N257-K261 PolarHBondContact O-N 2.9Å; R258-K261 PolarHBondContact O-N 2.97Å; R259-K261 PolarHBondContact O-N 2.8Å; K261-F263 PolarHBondContact O-N 3.49Å; K261-S265 WeakPolarHBondContact O-CB 3.21Å; K261-S265 PolarHBondContact O-N 2.89Å; K261-S265 PolarHBondContact O-OG 3.05Å
262	L	94.9	Very high	95	Very high	105 Å²	105	51.6 Å²	51.6	55%	0.55	28%	0.275	S	S	.	.	H	α-helix	trans	-55.6	-52.4	176.3	-176	65.1	0	0	0	110.5	R258 R259 S265	R258-L262 PolarHBondContact O-N 3.11Å; R259-L262 PolarHBondContact O-N 2.66Å; L262-S265 PolarHBondContact O-N 2.89Å; L262-S265 PolarHBondContact O-OG 3.3Å
263	F	96.5	Very high	94.9	Very high	5 Å²	5	48.3 Å²	48.3	2%	0.022	25%	0.247	C	C	.	.	H	α-helix	trans	-60.1	-55.5	179	-175.6	-94.2	0	0	0	112.7	R259 R260 K261 S265 K266 V267 Y270 D341 V342 L345	R259-F263 PolarHBondContact O-N 3.03Å; R260-F263 PolarHBondContact O-N 2.9Å; K261-F263 PolarHBondContact O-N 3.49Å; F263-S265 PolarHBondContact O-N 2.66Å; F263-K266 PolarHBondContact O-N 2.93Å; F263-K266 VanDerWaalsContact O-N 3.07Å; F263-V267 HydrophobicContact CD2-CG2 4.47Å; F263-V267 HydrophobicContact CE1-CB 4.27Å; F263-V267 HydrophobicContact CE1-CG1 4.39Å; F263-V267 HydrophobicContact CE2-CB 4.18Å; F263-V267 HydrophobicContact CE2-CG1 4.3Å; F263-V267 HydrophobicContact CE2-CG2 4.25Å; F263-V267 HydrophobicContact CZ-CB 4.04Å; F263-V267 HydrophobicContact CZ-CG1 3.9Å; F263-V267 PolarHBondContact O-N 3.38Å; F263-Y270 HydrophobicContact CE1-CD1 4.25Å; F263-Y270 AromaticContact CE1-CD2 3.9Å; F263-Y270 HydrophobicContact CE1-CD2 3.9Å; F263-Y270 HydrophobicContact CE1-CE2 4.5Å; F263-Y270 AromaticContact CE1-CG 3.78Å; F263-Y270 HydrophobicContact CE1-CG 3.78Å; F263-Y270 AromaticContact CZ-CD1 3.88Å; F263-Y270 HydrophobicContact CZ-CD1 3.88Å; F263-Y270 AromaticContact CZ-CD2 3.74Å; F263-Y270 HydrophobicContact CZ-CD2 3.74Å; F263-Y270 AromaticContact CZ-CE1 3.98Å; F263-Y270 HydrophobicContact CZ-CE1 3.98Å; F263-Y270 AromaticContact CZ-CE2 3.9Å; F263-Y270 HydrophobicContact CZ-CE2 3.9Å; F263-Y270 AromaticContact CZ-CG 3.75Å; F263-Y270 HydrophobicContact CZ-CG 3.75Å; F263-Y270 AromaticContact CZ-CZ 4Å; F263-D341 HydrophobicContact CD2-CB 4.01Å; F263-D341 WeakPolarHBondContact CD2-O 3.36Å; F263-D341 HydrophobicContact CE2-CB 4.18Å; F263-V342 HydrophobicContact CE2-CG2 3.85Å; F263-V342 HydrophobicContact CZ-CG2 4.2Å; F263-L345 HydrophobicContact CB-CB 4.49Å; F263-L345 HydrophobicContact CB-CD1 3.82Å; F263-L345 HydrophobicContact CD1-CD1 4.33Å; F263-L345 HydrophobicContact CD1-CD2 4.01Å; F263-L345 HydrophobicContact CD2-CB 4.01Å; F263-L345 HydrophobicContact CD2-CD2 4.15Å; F263-L345 HydrophobicContact CD2-CG 4.47Å; F263-L345 HydrophobicContact CE1-CD2 4.09Å; F263-L345 HydrophobicContact CE2-CD2 4.23Å; F263-L345 HydrophobicContact CG-CB 4.28Å; F263-L345 HydrophobicContact CG-CD1 4Å; F263-L345 HydrophobicContact CG-CD2 4.04Å; F263-L345 HydrophobicContact CG-CG 4.33Å; F263-L345 HydrophobicContact CZ-CD2 4.2Å
264	C	95.4	Very high	94.8	Very high	8 Å²	8	42.7 Å²	42.7	5%	0.054	22%	0.218	C	C	.	.	H	α-helix	trans	-70.5	-13.5	-174.5	-67.1	0	0	0	0	114.5	M139 R166 W251 R260 C274	M139-C264 WeakPolarHBondContact CE-O 3.13Å; R166-C264 PolarHBondContact NH2-O 3.16Å; W251-C264 HydrophobicContact CH2-CB 4.14Å; R260-C264 VanDerWaalsContact O-CB 3.31Å; R260-C264 WeakPolarHBondContact O-CB 3.47Å; R260-C264 PolarHBondContact O-N 2.77Å; R260-C264 PolarHBondContact O-SG 3.18Å; R260-C264 VanDerWaalsContact O-SG 3.36Å; C264-C274 VanDerWaalsContact CA-SG 3.54Å; C264-C274 HydrophobicContact CB-CB 3.72Å; C264-C274 WeakPolarHBondContact CB-SG 3.46Å; C264-C274 WeakPolarHBondContact SG-CA 3.41Å; C264-C274 WeakPolarHBondContact SG-CB 3.48Å; C264-C274 CovalentContact SG-SG 2.04Å; C264-C274 PolarHBondContact SG-SG 2.63Å
265	S	92.6	Very high	94.6	Very high	58 Å²	58	41.6 Å²	41.6	41%	0.406	21%	0.213	S	C	.	.	H	α-helix	trans	-81.4	-23	172.9	72.6	0	0	0	0	112.9	K261 L262 F263	K261-S265 WeakPolarHBondContact O-CB 3.21Å; K261-S265 PolarHBondContact O-N 2.89Å; K261-S265 PolarHBondContact O-OG 3.05Å; L262-S265 PolarHBondContact O-N 2.89Å; L262-S265 PolarHBondContact O-OG 3.3Å; F263-S265 PolarHBondContact O-N 2.66Å
266	K	94.1	Very high	94.4	Very high	80 Å²	80	39 Å²	39	35%	0.348	21%	0.207	S	C	.	.	H	α-helix	trans	-108.9	-39.2	-173.6	-173.3	-176.4	178	-162.2	0	112.7	M139 F263 E337 D341	M139-K266 WeakPolarHBondContact CA-O 3.47Å; F263-K266 PolarHBondContact O-N 2.93Å; F263-K266 VanDerWaalsContact O-N 3.07Å; K266-E337 WeakPolarHBondContact CE-OE2 3.2Å; K266-E337 IonicContact NZ-OE2 3.6Å; K266-E337 PolarHBondContact NZ-OE2 3.44Å; K266-D341 WeakPolarHBondContact CD-OD2 3.12Å; K266-D341 VanDerWaalsContact CE-OD2 3.32Å; K266-D341 WeakPolarHBondContact CE-OD2 3.27Å; K266-D341 VanDerWaalsContact NZ-CG 3.33Å; K266-D341 IonicContact NZ-OD1 3.5Å; K266-D341 PolarHBondContact NZ-OD1 3.38Å; K266-D341 IonicContact NZ-OD2 3.75Å; K266-D341 PolarHBondContact NZ-OD2 2.82Å
267	V	95.4	Very high	94.2	Very high	4 Å²	4	46.8 Å²	46.8	2%	0.024	24%	0.239	C	C	.	.			trans	-117.1	146.7	-170.9	-174.1	0	0	0	0	110.5	F263 Y270 E338 D341	F263-V267 HydrophobicContact CD2-CG2 4.47Å; F263-V267 HydrophobicContact CE1-CB 4.27Å; F263-V267 HydrophobicContact CE1-CG1 4.39Å; F263-V267 HydrophobicContact CE2-CB 4.18Å; F263-V267 HydrophobicContact CE2-CG1 4.3Å; F263-V267 HydrophobicContact CE2-CG2 4.25Å; F263-V267 HydrophobicContact CZ-CB 4.04Å; F263-V267 HydrophobicContact CZ-CG1 3.9Å; F263-V267 PolarHBondContact O-N 3.38Å; V267-Y270 HydrophobicContact CG1-CD2 3.68Å; V267-Y270 HydrophobicContact CG1-CE2 3.23Å; V267-E338 HydrophobicContact CG1-CG 3.87Å; V267-E338 HydrophobicContact CG2-CG 4.29Å; V267-D341 HydrophobicContact CG2-CB 4.26Å
268	E	94.6	Very high	93.9	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.266	C	S	.	.			trans	-137	160	-179	-168.1	54.4	-91.6	0	0	112.2	V130 M139 A140 V162 T163 R166	V130-E268 HydrophobicContact CG1-CB 4.34Å; V130-E268 HydrophobicContact CG1-CG 3.88Å; M139-E268 HydrophobicContact CB-CB 3.71Å; M139-E268 HydrophobicContact CE-CB 4.11Å; M139-E268 PolarHBondContact O-N 2.73Å; M139-E268 HydrophobicContact SD-CB 4.43Å; A140-E268 HydrophobicContact CB-CB 4.5Å; V162-E268 HydrophobicContact CB-CG 4.3Å; V162-E268 HydrophobicContact CG1-CG 3.8Å; V162-E268 HydrophobicContact CG2-CG 4.25Å; T163-E268 WeakPolarHBondContact CB-OE2 3.49Å; T163-E268 PolarHBondContact N-OE1 3.35Å; T163-E268 VanDerWaalsContact N-OE1 3.15Å; T163-E268 PolarHBondContact N-OE2 3.39Å; T163-E268 PolarHBondContact OG1-OE1 3Å; T163-E268 PolarHBondContact OG1-OE2 3.08Å; R166-E268 HydrophobicContact CG-CG 4.3Å; R166-E268 WeakPolarHBondContact CG-OE2 3.26Å; R166-E268 IonicContact CZ-OE2 2.78Å; R166-E268 IonicContact NE-OE2 3.93Å; R166-E268 PolarHBondContact NE-OE2 2.94Å; R166-E268 IonicContact NH2-OE2 3.75Å
269	G	94.4	Very high	93.9	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.01	25%	0.254	C	S	.	.			trans	92.5	18.6	-179.4	0	0	0	0	0	114.6	M161	M161-G269 VanDerWaalsContact CE-O 3.31Å; M161-G269 WeakPolarHBondContact CE-O 3.19Å
270	Y	95.4	Very high	93.8	Very high	10 Å²	10	45.2 Å²	45.2	4%	0.039	25%	0.249	C	C	.	.			trans	-104.3	11.2	176.3	-70.1	-100.8	0	0	0	113	F263 V267 I273 P307 N308 Y311 E338 V342	F263-Y270 HydrophobicContact CE1-CD1 4.25Å; F263-Y270 AromaticContact CE1-CD2 3.9Å; F263-Y270 HydrophobicContact CE1-CD2 3.9Å; F263-Y270 HydrophobicContact CE1-CE2 4.5Å; F263-Y270 AromaticContact CE1-CG 3.78Å; F263-Y270 HydrophobicContact CE1-CG 3.78Å; F263-Y270 AromaticContact CZ-CD1 3.88Å; F263-Y270 HydrophobicContact CZ-CD1 3.88Å; F263-Y270 AromaticContact CZ-CD2 3.74Å; F263-Y270 HydrophobicContact CZ-CD2 3.74Å; F263-Y270 AromaticContact CZ-CE1 3.98Å; F263-Y270 HydrophobicContact CZ-CE1 3.98Å; F263-Y270 AromaticContact CZ-CE2 3.9Å; F263-Y270 HydrophobicContact CZ-CE2 3.9Å; F263-Y270 AromaticContact CZ-CG 3.75Å; F263-Y270 HydrophobicContact CZ-CG 3.75Å; F263-Y270 AromaticContact CZ-CZ 4Å; V267-Y270 HydrophobicContact CG1-CD2 3.68Å; V267-Y270 HydrophobicContact CG1-CE2 3.23Å; Y270-I273 HydrophobicContact CD1-CD1 4.48Å; Y270-P307 WeakPolarHBondContact OH-CB 3.37Å; Y270-N308 PolarHBondContact OH-OD1 2.85Å; Y270-Y311 AromaticContact CD1-CD1 3.87Å; Y270-Y311 HydrophobicContact CD1-CD1 3.87Å; Y270-Y311 HydrophobicContact CD1-CD2 4.08Å; Y270-Y311 HydrophobicContact CD1-CE1 4.24Å; Y270-Y311 HydrophobicContact CD1-CE2 4.47Å; Y270-Y311 AromaticContact CD1-CG 3.77Å; Y270-Y311 HydrophobicContact CD1-CG 3.77Å; Y270-Y311 HydrophobicContact CE1-CD1 4.2Å; Y270-Y311 HydrophobicContact CE1-CD2 4.37Å; Y270-Y311 AromaticContact CE1-CG 3.85Å; Y270-Y311 HydrophobicContact CE1-CG 3.85Å; Y270-E338 WeakPolarHBondContact CE2-OE1 3.18Å; Y270-E338 PolarHBondContact OH-OE1 3.23Å; Y270-V342 HydrophobicContact CE1-CG2 3.98Å
271	G	92.7	Very high	93.7	Very high	18 Å²	18	48.1 Å²	48.1	19%	0.186	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	68.6	-131.9	167.9	0	0	0	0	0	113.3	M161 I273 C274	M161-G271 WeakPolarHBondContact O-CA 3.48Å; M161-G271 PolarHBondContact O-N 3.05Å; G271-I273 PolarHBondContact O-N 2.82Å; G271-I273 VanDerWaalsContact O-N 3.09Å; G271-C274 PolarHBondContact O-N 3.12Å
272	S	93.3	Very high	93.7	Very high	72 Å²	72	44 Å²	44	50%	0.503	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-66.7	-11.3	-169.7	50.3	0	0	0	0	114.5	C274 S275 P279 A280	S272-C274 PolarHBondContact O-N 3.48Å; S272-S275 VanDerWaalsContact O-CB 3.27Å; S272-S275 WeakPolarHBondContact O-CB 3.2Å; S272-S275 PolarHBondContact O-N 3.36Å; S272-P279 CarbonylContact O-C 3.51Å; S272-P279 VanDerWaalsContact O-CA 3.25Å; S272-P279 WeakPolarHBondContact O-CA 3.4Å; S272-A280 PolarHBondContact O-N 3.47Å; S272-A280 WeakPolarHBondContact OG-CB 3.29Å
273	I	93.9	Very high	93.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-57.4	-40.3	172.6	-53.3	171.8	0	0	0	111	R260 Y270 G271 S275 I282 Y311 L345	R260-I273 WeakPolarHBondContact CD-O 3.43Å; R260-I273 HydrophobicContact CG-CG2 4.36Å; Y270-I273 HydrophobicContact CD1-CD1 4.48Å; G271-I273 PolarHBondContact O-N 2.82Å; G271-I273 VanDerWaalsContact O-N 3.09Å; I273-S275 VanDerWaalsContact C-N 3.32Å; I273-I282 HydrophobicContact CG2-CG2 3.74Å; I273-Y311 HydrophobicContact CD1-CD2 4.19Å; I273-Y311 HydrophobicContact CD1-CE1 4.26Å; I273-Y311 HydrophobicContact CD1-CE2 3.2Å; I273-Y311 WeakPolarHBondContact CD1-OH 2.99Å; I273-Y311 HydrophobicContact CG1-CE2 4.29Å; I273-Y311 VanDerWaalsContact CG1-OH 3.24Å; I273-Y311 WeakPolarHBondContact CG1-OH 3.29Å; I273-L345 HydrophobicContact CD1-CD2 4.12Å; I273-L345 HydrophobicContact CG2-CD2 4.46Å
274	C	93	Very high	93.4	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.02	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-95.1	14.4	-176.2	-59.3	0	0	0	0	112.8	C264 G271 S272 C276	C264-C274 VanDerWaalsContact CA-SG 3.54Å; C264-C274 HydrophobicContact CB-CB 3.72Å; C264-C274 WeakPolarHBondContact CB-SG 3.46Å; C264-C274 WeakPolarHBondContact SG-CA 3.41Å; C264-C274 WeakPolarHBondContact SG-CB 3.48Å; C264-C274 CovalentContact SG-SG 2.04Å; C264-C274 PolarHBondContact SG-SG 2.63Å; G271-C274 PolarHBondContact O-N 3.12Å; S272-C274 PolarHBondContact O-N 3.48Å; C274-C276 PolarHBondContact O-N 2.64Å
275	S	92.4	Very high	93.3	Very high	39 Å²	39	53 Å²	53	27%	0.273	29%	0.294	S	S	.	.			trans	-67.3	121.3	173.7	175.5	0	0	0	0	110.7	W251 S272 I273 K277 D278 P279	W251-S275 PolarHBondContact NE1-O 2.97Å; S272-S275 VanDerWaalsContact O-CB 3.27Å; S272-S275 WeakPolarHBondContact O-CB 3.2Å; S272-S275 PolarHBondContact O-N 3.36Å; I273-S275 VanDerWaalsContact C-N 3.32Å; S275-K277 PolarHBondContact O-N 3.09Å; S275-K277 PolarHBondContact OG-N 2.98Å; S275-D278 VanDerWaalsContact CB-O 3.24Å; S275-D278 WeakPolarHBondContact CB-O 3.22Å; S275-D278 PolarHBondContact OG-N 3.47Å; S275-D278 VanDerWaalsContact OG-N 3.11Å; S275-D278 PolarHBondContact OG-O 3.31Å; S275-P279 WeakPolarHBondContact O-CB 3.49Å
276	C	90	Very high	93.4	Very high	67 Å²	67	52.2 Å²	52.2	45%	0.453	29%	0.287	S	S	.	.	S	Bend	trans	-66.7	-23	176.3	-57.2	0	0	0	0	113.2	C249 C274	C249-C276 VanDerWaalsContact CA-SG 3.59Å; C249-C276 HydrophobicContact CB-CB 3.63Å; C249-C276 WeakPolarHBondContact CB-SG 3.44Å; C249-C276 WeakPolarHBondContact SG-CA 3.46Å; C249-C276 WeakPolarHBondContact SG-CB 3.24Å; C249-C276 CovalentContact SG-SG 2.04Å; C249-C276 PolarHBondContact SG-SG 2.94Å; C274-C276 PolarHBondContact O-N 2.64Å
277	K	89.4	Confident	93.4	Very high	202 Å²	202	52.9 Å²	52.9	88%	0.878	30%	0.295	S	S	*	.	S	Bend	trans	-97.3	-47.4	-174.1	-68.3	-172.6	178.4	-174.7	0	113.3	S275	S275-K277 PolarHBondContact O-N 3.09Å; S275-K277 PolarHBondContact OG-N 2.98Å
278	D	91.5	Very high	93.3	Very high	130 Å²	130	57.7 Å²	57.7	70%	0.695	33%	0.326	S	S	*	.	S	Bend	trans	-138.3	78	-175.4	-175.4	28	0	0	0	108.9	S275	S275-D278 VanDerWaalsContact CB-O 3.24Å; S275-D278 WeakPolarHBondContact CB-O 3.22Å; S275-D278 PolarHBondContact OG-N 3.47Å; S275-D278 VanDerWaalsContact OG-N 3.11Å; S275-D278 PolarHBondContact OG-O 3.31Å
279	P	94.3	Very high	93.3	Very high	32 Å²	32	58.8 Å²	58.8	21%	0.208	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-78.3	129.2	-175.3	30.7	-34.5	0	0	0	111.9	R260 S272 S275	R260-P279 VanDerWaalsContact CZ-CB 3.45Å; R260-P279 VanDerWaalsContact NH1-CB 3.29Å; S272-P279 CarbonylContact O-C 3.51Å; S272-P279 VanDerWaalsContact O-CA 3.25Å; S272-P279 WeakPolarHBondContact O-CA 3.4Å; S275-P279 WeakPolarHBondContact O-CB 3.49Å
280	A	94.3	Very high	93	Very high	14 Å²	14	65.3 Å²	65.3	12%	0.116	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-59.1	144.4	177.1	0	0	0	0	0	112.2	R260 S272	R260-A280 PolarHBondContact NH2-O 2.93Å; S272-A280 PolarHBondContact O-N 3.47Å; S272-A280 WeakPolarHBondContact OG-CB 3.29Å
281	P	94.3	Very high	92.7	Very high	73 Å²	73	68.9 Å²	68.9	47%	0.474	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-62.7	142.9	-179.2	26.4	-34.5	0	0	0	111.5
282	I	94.8	Very high	92.8	Very high	3 Å²	3	69.4 Å²	69.4	2%	0.015	40%	0.399	C	S	.	.	S	Bend	trans	-118.5	3.4	172.6	63.6	170.5	0	0	0	111.9	L256 R260 I273 L345 F346	L256-I282 HydrophobicContact CD1-CG1 4.13Å; L256-I282 HydrophobicContact CD2-CD1 3.69Å; L256-I282 HydrophobicContact CD2-CG1 3.54Å; L256-I282 HydrophobicContact CG-CD1 3.82Å; L256-I282 HydrophobicContact CG-CG1 3.6Å; R260-I282 HydrophobicContact CB-CD1 4.09Å; I273-I282 HydrophobicContact CG2-CG2 3.74Å; I282-L345 HydrophobicContact CD1-CD1 3.75Å; I282-L345 HydrophobicContact CG2-CD1 4.1Å; I282-L345 HydrophobicContact CG2-CD2 4.4Å; I282-L345 HydrophobicContact CG2-CG 4.26Å; I282-F346 HydrophobicContact CB-CE1 4.41Å; I282-F346 WeakPolarHBondContact O-CD1 3.26Å
283	E	92.8	Very high	93	Very high	117 Å²	117	70.6 Å²	70.6	55%	0.547	40%	0.4	S	S	.	.	S	Bend	trans	-125.3	139.2	170.4	-177.3	171.5	-157.9	0	0	106.9	L256	L256-E283 HydrophobicContact CD1-CB 3.74Å
284	F	93.8	Very high	93.2	Very high	40 Å²	40	70.9 Å²	70.9	18%	0.175	40%	0.402	C	S	.	.			trans	-125	140.2	-172.2	-55.1	-87.8	0	0	0	108.6	P286 R315 L318 S319 F346	F284-P286 VanDerWaalsContact O-CD 3.24Å; F284-P286 WeakPolarHBondContact O-CD 3.1Å; F284-R315 HydrophobicContact CZ-CB 4.34Å; F284-R315 HydrophobicContact CZ-CG 4.01Å; F284-L318 HydrophobicContact CB-CB 4.44Å; F284-L318 WeakPolarHBondContact CB-O 3.49Å; F284-L318 HydrophobicContact CD2-CB 3.52Å; F284-L318 HydrophobicContact CD2-CD1 4.06Å; F284-L318 HydrophobicContact CD2-CG 4.45Å; F284-L318 HydrophobicContact CE2-CB 4.07Å; F284-L318 HydrophobicContact CE2-CD1 4.08Å; F284-L318 HydrophobicContact CG-CB 4.18Å; F284-S319 WeakPolarHBondContact CD1-OG 3.36Å; F284-F346 HydrophobicContact CE2-CD1 4.06Å; F284-F346 AromaticContact CE2-CE1 3.69Å; F284-F346 HydrophobicContact CE2-CE1 3.69Å; F284-F346 HydrophobicContact CZ-CE1 4.13Å
285	N	92.5	Very high	93.4	Very high	151 Å²	151	75.5 Å²	75.5	81%	0.807	42%	0.421	S	S	*	.			trans	-117.5	71.2	178	-66.2	-33.5	0	0	0	109.3
286	P	93.6	Very high	93.6	Very high	40 Å²	40	79.6 Å²	79.6	26%	0.26	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-70	156.8	-180	30.8	-34.7	0	0	0	111.2	F284 A320 V323	F284-P286 VanDerWaalsContact O-CD 3.24Å; F284-P286 WeakPolarHBondContact O-CD 3.1Å; P286-A320 WeakPolarHBondContact CB-O 3.48Å; P286-V323 HydrophobicContact CG-CG1 3.62Å
287	D	94.2	Very high	94	Very high	94 Å²	94	77.2 Å²	77.2	50%	0.503	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-61.1	137.2	177.8	-70.7	-26.3	0	0	0	110.8	H321 G322	D287-H321 CarbonylContact O-C 3.54Å; D287-H321 WeakPolarHBondContact O-CA 3.49Å; D287-H321 IonicContact OD2-CE1 3.01Å; D287-H321 PolarHBondContact OD2-CE1 3.37Å; D287-H321 IonicContact OD2-NE2 2.87Å; D287-G322 PolarHBondContact O-N 2.92Å
288	P	93.9	Very high	94.4	Very high	105 Å²	105	67.6 Å²	67.6	68%	0.682	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-70.9	151.5	175.4	30.1	-34.5	0	0	0	111
289	L	94.3	Very high	94.8	Very high	23 Å²	23	61.5 Å²	61.5	12%	0.12	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-92.2	122	169.2	-71.2	175.1	0	0	0	109.8	S291 N292 H321 F398 N522	L289-S291 VanDerWaalsContact C-N 3.31Å; L289-S291 PolarHBondContact O-N 3.13Å; L289-N292 HydrophobicContact CB-CB 4.05Å; L289-H321 HydrophobicContact CD2-CB 4.26Å; L289-H321 HydrophobicContact CG-CB 4.47Å; L289-F398 HydrophobicContact CD1-CB 3.86Å; L289-N522 WeakPolarHBondContact CD2-OD1 3.46Å
290	P	87.9	Confident	95	Very high	139 Å²	139	60 Å²	60	90%	0.903	34%	0.339	S	S	*	.	S	Bend	trans	-58.6	-36.5	-176.7	-27.1	34.4	0	0	0	114.7
291	S	89.5	Confident	95.2	Very high	84 Å²	84	59.3 Å²	59.3	59%	0.587	33%	0.334	S	S	*	.	S	Bend	trans	-128.7	100.5	173.7	-169.1	0	0	0	0	108.7	L289 S402	L289-S291 VanDerWaalsContact C-N 3.31Å; L289-S291 PolarHBondContact O-N 3.13Å; S291-S402 PolarHBondContact O-OG 2.87Å
292	N	95.3	Very high	95.4	Very high	30 Å²	30	56.5 Å²	56.5	16%	0.16	32%	0.315	C	S	.	.			trans	-110.2	91.6	-175.1	-168.6	-9.3	0	0	0	111.4	L289 V294 F295 G322	L289-N292 HydrophobicContact CB-CB 4.05Å; N292-V294 PolarHBondContact O-N 3.12Å; N292-V294 WeakPolarHBondContact OD1-CG2 3.24Å; N292-V294 PolarHBondContact OD1-N 3.02Å; N292-F295 HydrophobicContact CB-CB 4.05Å; N292-F295 PolarHBondContact O-N 3.15Å; N292-F295 PolarHBondContact OD1-N 3.47Å; N292-F295 VanDerWaalsContact OD1-N 3.08Å; N292-G322 PolarHBondContact ND2-O 3.39Å
293	N	97	Very high	95.6	Very high	97 Å²	97	56.5 Å²	56.5	52%	0.519	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-8.1	178.3	-61.6	-32.7	0	0	0	112.9	S402 I405	N293-S402 PolarHBondContact N-OG 3.45Å; N293-S402 PolarHBondContact ND2-O 2.88Å; N293-I405 HydrophobicContact CB-CG2 3.85Å
294	V	97.7	Very high	95.8	Very high	6 Å²	6	51.9 Å²	51.9	4%	0.036	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.2	10	-180	-62.6	0	0	0	0	113.5	N292 N296 V297 F398 L401 I405	N292-V294 PolarHBondContact O-N 3.12Å; N292-V294 WeakPolarHBondContact OD1-CG2 3.24Å; N292-V294 PolarHBondContact OD1-N 3.02Å; V294-N296 PolarHBondContact O-N 2.92Å; V294-N296 VanDerWaalsContact O-N 3.16Å; V294-V297 HydrophobicContact CB-CB 4.27Å; V294-V297 HydrophobicContact CB-CG2 4.06Å; V294-V297 HydrophobicContact CG1-CG2 4.2Å; V294-V297 PolarHBondContact O-N 3.05Å; V294-F398 HydrophobicContact CG2-CB 4.21Å; V294-F398 HydrophobicContact CG2-CD1 4.08Å; V294-L401 HydrophobicContact CG1-CB 4.03Å; V294-L401 HydrophobicContact CG2-CB 4.25Å; V294-I405 HydrophobicContact CG1-CB 3.92Å; V294-I405 HydrophobicContact CG1-CG1 4.07Å; V294-I405 HydrophobicContact CG1-CG2 3.89Å
295	F	97.3	Very high	96	Very high	100 Å²	100	54.1 Å²	54.1	44%	0.439	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-33.2	-176.4	-171.7	-100.1	0	0	0	113.9	N292 N324	N292-F295 HydrophobicContact CB-CB 4.05Å; N292-F295 PolarHBondContact O-N 3.15Å; N292-F295 PolarHBondContact OD1-N 3.47Å; N292-F295 VanDerWaalsContact OD1-N 3.08Å; F295-N324 HydrophobicContact CD2-CB 4.08Å; F295-N324 WeakPolarHBondContact CE1-ND2 3.43Å; F295-N324 HydrophobicContact CE2-CB 3.87Å; F295-N324 HydrophobicContact CZ-CB 4.21Å; F295-N324 PolarHBondContact O-ND2 2.94Å
296	N	96.4	Very high	96.2	Very high	125 Å²	125	49.9 Å²	49.9	67%	0.668	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	5.5	179.8	-66.2	-33.7	0	0	0	113.2	V294 P298	V294-N296 PolarHBondContact O-N 2.92Å; V294-N296 VanDerWaalsContact O-N 3.16Å; N296-P298 WeakPolarHBondContact O-CD 3.37Å
297	V	98.6	Very high	96.3	Very high	16 Å²	16	48.3 Å²	48.3	10%	0.097	28%	0.275	C	S	.	.	S	Bend	trans	-79.5	120.6	177.9	177.9	0	0	0	0	108.3	V294 V327 F383 V385	V294-V297 HydrophobicContact CB-CB 4.27Å; V294-V297 HydrophobicContact CB-CG2 4.06Å; V294-V297 HydrophobicContact CG1-CG2 4.2Å; V294-V297 PolarHBondContact O-N 3.05Å; V297-V327 WeakPolarHBondContact O-CG2 3.32Å; V297-F383 HydrophobicContact CG1-CB 3.89Å; V297-F383 HydrophobicContact CG2-CB 4.43Å; V297-V385 HydrophobicContact CG1-CG2 3.93Å
298	P	98.8	Very high	96.4	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.006	27%	0.268	C	S	.	.			trans	-63.4	144	180	26.7	-35.7	0	0	0	112.3	N296 T374 H378 A381 F383 A384 V385	N296-P298 WeakPolarHBondContact O-CD 3.37Å; P298-T374 HydrophobicContact CB-CG2 3.82Å; P298-T374 HydrophobicContact CG-CG2 3.89Å; P298-H378 HydrophobicContact CB-CB 4.37Å; P298-H378 HydrophobicContact CG-CB 4.07Å; P298-A381 HydrophobicContact CG-CB 3.82Å; P298-F383 VanDerWaalsContact CD-O 3.3Å; P298-F383 WeakPolarHBondContact CD-O 3.4Å; P298-F383 WeakPolarHBondContact CG-O 3.26Å; P298-A384 HydrophobicContact CG-CB 4.22Å; P298-A384 CarbonylContact O-C 3.58Å; P298-A384 WeakPolarHBondContact O-CA 3.42Å; P298-V385 PolarHBondContact O-N 2.86Å
299	V	98.9	Very high	96.5	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.012	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	113.2	177.5	-176.1	0	0	0	0	108.7	V301 V327 I328 T329 V385 L387 F398	V299-V301 HydrophobicContact CG1-CG2 4.4Å; V299-V327 PolarHBondContact N-O 3.5Å; V299-I328 HydrophobicContact CB-CG1 4.13Å; V299-I328 HydrophobicContact CG2-CG1 4.47Å; V299-I328 WeakPolarHBondContact O-CA 3.31Å; V299-T329 PolarHBondContact O-N 3.44Å; V299-V385 WeakPolarHBondContact CA-O 3.45Å; V299-V385 HydrophobicContact CG1-CB 4.4Å; V299-V385 HydrophobicContact CG2-CB 4.16Å; V299-V385 HydrophobicContact CG2-CG2 4.42Å; V299-L387 HydrophobicContact CG1-CD1 3.67Å; V299-L387 HydrophobicContact CG1-CG 4.1Å; V299-F398 HydrophobicContact CG2-CE1 4.17Å; V299-F398 HydrophobicContact CG2-CZ 4.4Å
300	A	98.9	Very high	96.7	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	113.5	174	0	0	0	0	0	109.7	F331 T374 V385 V386 L387	A300-F331 HydrophobicContact CB-CD2 4.18Å; A300-F331 HydrophobicContact CB-CE2 3.89Å; A300-T374 HydrophobicContact CB-CG2 4.46Å; A300-V385 PolarHBondContact N-O 2.83Å; A300-V386 WeakPolarHBondContact O-CA 3.44Å; A300-L387 PolarHBondContact O-N 3.29Å
301	V	98.9	Very high	97.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	121.8	172.2	176.5	0	0	0	0	109	V299 L310 M313 L314 L317 I328 T329 V330 F331 L387	V299-V301 HydrophobicContact CG1-CG2 4.4Å; V301-L310 HydrophobicContact CG1-CD1 3.91Å; V301-M313 HydrophobicContact CB-CE 4.07Å; V301-M313 HydrophobicContact CG1-CE 3.31Å; V301-M313 HydrophobicContact CG1-SD 4.27Å; V301-M313 HydrophobicContact CG2-CE 3.76Å; V301-L314 HydrophobicContact CG2-CD2 4.5Å; V301-L317 HydrophobicContact CG2-CD2 4.1Å; V301-I328 HydrophobicContact CG2-CG2 4Å; V301-T329 PolarHBondContact N-O 3.47Å; V301-V330 HydrophobicContact CB-CB 4.39Å; V301-V330 HydrophobicContact CB-CG1 4.3Å; V301-V330 HydrophobicContact CB-CG2 4.07Å; V301-V330 HydrophobicContact CG1-CG1 4.12Å; V301-V330 HydrophobicContact CG1-CG2 4.43Å; V301-V330 HydrophobicContact CG2-CG2 4.42Å; V301-F331 PolarHBondContact O-N 2.76Å; V301-L387 CarbonylContact C-O 3.33Å; V301-L387 WeakPolarHBondContact CA-O 3.44Å
302	I	98.9	Very high	97.6	Very high	13 Å²	13	39.2 Å²	39.2	7%	0.067	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	114.6	-179.6	-49.3	-56.6	0	0	0	108.7	Y367 V386 L387 E389	I302-Y367 HydrophobicContact CG1-CD1 4.41Å; I302-Y367 HydrophobicContact CG1-CE1 3.94Å; I302-Y367 HydrophobicContact CG2-CD2 4.21Å; I302-Y367 HydrophobicContact CG2-CE2 3.87Å; I302-V386 HydrophobicContact CG1-CG1 4.05Å; I302-L387 PolarHBondContact N-O 3.3Å; I302-E389 PolarHBondContact O-N 3.43Å; I302-E389 VanDerWaalsContact O-N 3.15Å
303	A	98.8	Very high	97.7	Very high	3 Å²	3	37.8 Å²	37.8	3%	0.025	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	147.8	-174.5	0	0	0	0	0	112.5	L310 V330 F331 I332 D333 E389	A303-L310 HydrophobicContact CB-CD1 4.15Å; A303-L310 HydrophobicContact CB-CD2 4.23Å; A303-V330 HydrophobicContact CB-CG1 4.1Å; A303-F331 PolarHBondContact N-O 3.1Å; A303-I332 HydrophobicContact CB-CG1 4.24Å; A303-I332 WeakPolarHBondContact O-CA 3.47Å; A303-D333 PolarHBondContact O-N 3.13Å; A303-E389 HydrophobicContact CB-CB 4.19Å
304	G	97.6	Very high	97.8	Very high	20 Å²	20	33.2 Å²	33.2	21%	0.206	16%	0.161	C	C	.	.			trans	-109.4	-136	170.3	0	0	0	0	0	111.2	E389	G304-E389 PolarHBondContact N-OE1 2.86Å; G304-E389 PolarHBondContact N-OE2 2.84Å
305	N	97.2	Very high	97.9	Very high	87 Å²	87	36.3 Å²	36.3	47%	0.465	17%	0.172	S	C	.	.	S	Bend	trans	-105	54	175	-167.3	20.5	0	0	0	111.8	P307 Y336	N305-P307 VanDerWaalsContact C-CD 3.49Å; N305-Y336 HydrophobicContact CB-CD1 4Å; N305-Y336 HydrophobicContact CB-CD2 3.66Å; N305-Y336 HydrophobicContact CB-CE1 4.05Å; N305-Y336 HydrophobicContact CB-CE2 3.69Å; N305-Y336 HydrophobicContact CB-CG 3.82Å
306	R	96.1	Very high	97.9	Very high	62 Å²	62	32.7 Å²	32.7	23%	0.234	16%	0.159	C	C	.	.			trans	-126.1	66.3	178	-61.6	-179.5	-64.1	167.3	4.8	110.1	N308 Y309 L310 E389 D390 I499	R306-N308 VanDerWaalsContact C-N 3.25Å; R306-N308 PolarHBondContact O-N 2.86Å; R306-N308 VanDerWaalsContact O-N 3.14Å; R306-Y309 HydrophobicContact CB-CD2 4.01Å; R306-Y309 HydrophobicContact CB-CG 4.07Å; R306-Y309 HydrophobicContact CG-CD2 4.39Å; R306-Y309 WeakPolarHBondContact O-CA 3.27Å; R306-Y309 WeakPolarHBondContact O-CB 3.39Å; R306-Y309 PolarHBondContact O-N 3.45Å; R306-L310 PolarHBondContact O-N 2.83Å; R306-E389 IonicContact CZ-OE1 3.81Å; R306-E389 IonicContact NE-OE1 3.9Å; R306-E389 PolarHBondContact NE-OE1 3.35Å; R306-E389 VanDerWaalsContact NH2-CG 3.33Å; R306-E389 IonicContact NH2-OE1 2.81Å; R306-E389 PolarHBondContact NH2-OE1 3.13Å; R306-D390 IonicContact CZ-OD2 3.69Å; R306-D390 VanDerWaalsContact CZ-OD2 3.23Å; R306-D390 IonicContact NH1-OD2 2.9Å; R306-D390 PolarHBondContact NH1-OD2 2.8Å; R306-D390 IonicContact NH2-OD1 3.1Å; R306-D390 IonicContact NH2-OD2 2.9Å; R306-D390 PolarHBondContact NH2-OD2 3.31Å; R306-I499 PolarHBondContact NH1-O 2.98Å
307	P	97.1	Very high	98	Very high	8 Å²	8	26.7 Å²	26.7	5%	0.052	13%	0.127	C	C	.	.	H	α-helix	trans	-61.7	-30.9	-169	28	-37.5	0	0	0	113.4	Y270 N305 Y309 L310 Y311 E338 P339 V342	Y270-P307 WeakPolarHBondContact OH-CB 3.37Å; N305-P307 VanDerWaalsContact C-CD 3.49Å; P307-Y309 VanDerWaalsContact C-N 3.33Å; P307-Y309 PolarHBondContact O-N 3.42Å; P307-L310 PolarHBondContact O-N 3.4Å; P307-Y311 VanDerWaalsContact O-CB 3.24Å; P307-Y311 WeakPolarHBondContact O-CB 3.36Å; P307-Y311 PolarHBondContact O-N 3.32Å; P307-E338 HydrophobicContact CB-CB 4.17Å; P307-E338 HydrophobicContact CB-CG 3.77Å; P307-E338 HydrophobicContact CG-CB 4.01Å; P307-E338 VanDerWaalsContact CG-CD 3.42Å; P307-E338 HydrophobicContact CG-CG 3.65Å; P307-E338 WeakPolarHBondContact CG-OE1 3.28Å; P307-P339 HydrophobicContact CB-CB 4.47Å; P307-P339 HydrophobicContact CB-CG 4.05Å; P307-P339 HydrophobicContact CG-CG 4.45Å; P307-V342 HydrophobicContact CB-CG2 4.17Å
308	N	94.6	Very high	98	Very high	64 Å²	64	26.5 Å²	26.5	34%	0.342	13%	0.126	S	C	.	.	H	α-helix	trans	-65.5	-35.3	174.1	-54.8	-46.9	0	0	0	112.5	R142 Y270 R306 R312	R142-N308 PolarHBondContact NH2-ND2 2.92Å; R142-N308 PolarHBondContact NH2-OD1 3.4Å; Y270-N308 PolarHBondContact OH-OD1 2.85Å; R306-N308 VanDerWaalsContact C-N 3.25Å; R306-N308 PolarHBondContact O-N 2.86Å; R306-N308 VanDerWaalsContact O-N 3.14Å; N308-R312 PolarHBondContact O-N 2.84Å
309	Y	96.9	Very high	98	Very high	46 Å²	46	28.8 Å²	28.8	18%	0.18	14%	0.142	C	C	.	.	H	α-helix	trans	-71.8	-50.7	177.1	-70.5	5.8	0	0	0	109.3	R306 P307 Y311 R312 M313 E389 D390 F496 I498 I499	R306-Y309 HydrophobicContact CB-CD2 4.01Å; R306-Y309 HydrophobicContact CB-CG 4.07Å; R306-Y309 HydrophobicContact CG-CD2 4.39Å; R306-Y309 WeakPolarHBondContact O-CA 3.27Å; R306-Y309 WeakPolarHBondContact O-CB 3.39Å; R306-Y309 PolarHBondContact O-N 3.45Å; P307-Y309 VanDerWaalsContact C-N 3.33Å; P307-Y309 PolarHBondContact O-N 3.42Å; Y309-Y311 VanDerWaalsContact C-N 3.27Å; Y309-Y311 PolarHBondContact O-N 2.96Å; Y309-R312 PolarHBondContact O-N 3.34Å; Y309-M313 PolarHBondContact O-N 3.49Å; Y309-E389 CarbonylContact C-O 3.56Å; Y309-E389 VanDerWaalsContact O-O 3.05Å; Y309-D390 HydrophobicContact CD2-CB 3.94Å; Y309-F496 HydrophobicContact CD1-CD2 4.45Å; Y309-F496 AromaticContact CD1-CE2 3.96Å; Y309-F496 HydrophobicContact CD1-CE2 3.96Å; Y309-F496 HydrophobicContact CD2-CE2 4.29Å; Y309-F496 HydrophobicContact CG-CD2 4.48Å; Y309-F496 AromaticContact CG-CE2 3.77Å; Y309-F496 HydrophobicContact CG-CE2 3.77Å; Y309-I498 PolarHBondContact OH-N 3.17Å; Y309-I499 PolarHBondContact OH-N 3.23Å
310	L	98.7	Very high	98	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-53	-45.6	175.3	-179.3	61	0	0	0	112	V301 A303 R306 P307 M313 L314 V330 P339 V342 V343 E389	V301-L310 HydrophobicContact CG1-CD1 3.91Å; A303-L310 HydrophobicContact CB-CD1 4.15Å; A303-L310 HydrophobicContact CB-CD2 4.23Å; R306-L310 PolarHBondContact O-N 2.83Å; P307-L310 PolarHBondContact O-N 3.4Å; L310-M313 PolarHBondContact O-N 2.8Å; L310-L314 HydrophobicContact CD1-CD1 3.9Å; L310-L314 HydrophobicContact CD1-CD2 4.45Å; L310-L314 HydrophobicContact CD1-CG 3.93Å; L310-L314 HydrophobicContact CG-CD1 3.91Å; L310-L314 HydrophobicContact CG-CG 4.33Å; L310-L314 WeakPolarHBondContact O-CB 3.45Å; L310-L314 VanDerWaalsContact O-CG 3.26Å; L310-L314 WeakPolarHBondContact O-CG 3.47Å; L310-L314 PolarHBondContact O-N 2.59Å; L310-V330 HydrophobicContact CD1-CG1 4Å; L310-V330 HydrophobicContact CD2-CG1 4.18Å; L310-P339 HydrophobicContact CD2-CB 4.21Å; L310-V342 HydrophobicContact CD2-CG1 4.37Å; L310-V342 HydrophobicContact CG-CG1 4.22Å; L310-V343 HydrophobicContact CD2-CG2 4.05Å; L310-E389 HydrophobicContact CB-CB 4.17Å; L310-E389 HydrophobicContact CD1-CB 4.07Å; L310-E389 PolarHBondContact N-O 3.25Å
311	Y	98.1	Very high	97.9	Very high	31 Å²	31	29.7 Å²	29.7	12%	0.122	15%	0.145	C	C	.	.	H	α-helix	trans	-59	-48.3	176.7	168.2	-102.8	0	0	0	112.4	Y270 I273 P307 Y309 R315 V342 F346	Y270-Y311 AromaticContact CD1-CD1 3.87Å; Y270-Y311 HydrophobicContact CD1-CD1 3.87Å; Y270-Y311 HydrophobicContact CD1-CD2 4.08Å; Y270-Y311 HydrophobicContact CD1-CE1 4.24Å; Y270-Y311 HydrophobicContact CD1-CE2 4.47Å; Y270-Y311 AromaticContact CD1-CG 3.77Å; Y270-Y311 HydrophobicContact CD1-CG 3.77Å; Y270-Y311 HydrophobicContact CE1-CD1 4.2Å; Y270-Y311 HydrophobicContact CE1-CD2 4.37Å; Y270-Y311 AromaticContact CE1-CG 3.85Å; Y270-Y311 HydrophobicContact CE1-CG 3.85Å; I273-Y311 HydrophobicContact CD1-CD2 4.19Å; I273-Y311 HydrophobicContact CD1-CE1 4.26Å; I273-Y311 HydrophobicContact CD1-CE2 3.2Å; I273-Y311 WeakPolarHBondContact CD1-OH 2.99Å; I273-Y311 HydrophobicContact CG1-CE2 4.29Å; I273-Y311 VanDerWaalsContact CG1-OH 3.24Å; I273-Y311 WeakPolarHBondContact CG1-OH 3.29Å; P307-Y311 VanDerWaalsContact O-CB 3.24Å; P307-Y311 WeakPolarHBondContact O-CB 3.36Å; P307-Y311 PolarHBondContact O-N 3.32Å; Y309-Y311 VanDerWaalsContact C-N 3.27Å; Y309-Y311 PolarHBondContact O-N 2.96Å; Y311-R315 HydrophobicContact CE2-CG 4.15Å; Y311-R315 WeakPolarHBondContact O-CG 3.31Å; Y311-R315 PolarHBondContact O-N 2.89Å; Y311-R315 WeakPolarHBondContact OH-CD 3.11Å; Y311-R315 PolarHBondContact OH-NH1 3.46Å; Y311-V342 HydrophobicContact CD2-CG1 4.49Å; Y311-F346 AromaticContact CD2-CE2 3.68Å; Y311-F346 HydrophobicContact CD2-CE2 3.68Å; Y311-F346 AromaticContact CD2-CZ 3.62Å; Y311-F346 HydrophobicContact CD2-CZ 3.62Å; Y311-F346 HydrophobicContact CE2-CE2 4.11Å; Y311-F346 AromaticContact CE2-CZ 3.55Å; Y311-F346 HydrophobicContact CE2-CZ 3.55Å
312	R	97.5	Very high	97.8	Very high	113 Å²	113	30.1 Å²	30.1	43%	0.426	15%	0.15	S	C	.	.	H	α-helix	trans	-60.2	-49	177.3	172.5	177.4	173.6	167.2	0.8	111.3	N308 Y309 R315 S316 D392 F496	N308-R312 PolarHBondContact O-N 2.84Å; Y309-R312 PolarHBondContact O-N 3.34Å; R312-R315 WeakPolarHBondContact O-CB 3.48Å; R312-R315 PolarHBondContact O-N 3.29Å; R312-S316 PolarHBondContact O-N 3.38Å; R312-D392 WeakPolarHBondContact CG-OD1 2.99Å; R312-D392 IonicContact CZ-OD1 3.58Å; R312-D392 IonicContact CZ-OD2 2.67Å; R312-D392 IonicContact NE-OD1 3.47Å; R312-D392 PolarHBondContact NE-OD1 3.3Å; R312-D392 IonicContact NE-OD2 2.76Å; R312-D392 PolarHBondContact NE-OD2 3.2Å; R312-D392 IonicContact NH2-OD1 3.6Å; R312-D392 IonicContact NH2-OD2 3.27Å; R312-D392 PolarHBondContact NH2-OD2 3.17Å; R312-F496 HydrophobicContact CB-CE1 4.46Å; R312-F496 HydrophobicContact CB-CZ 4Å; R312-F496 HydrophobicContact CG-CD1 4.5Å; R312-F496 HydrophobicContact CG-CE1 3.82Å; R312-F496 HydrophobicContact CG-CE2 4.47Å; R312-F496 HydrophobicContact CG-CZ 3.84Å
313	M	98.8	Very high	97.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-60.1	-49	-179.2	176.9	-83.8	-134.9	0	0	111.4	V301 Y309 L310 R315 S316 L317 L387 E388 E389 L391 F496	V301-M313 HydrophobicContact CB-CE 4.07Å; V301-M313 HydrophobicContact CG1-CE 3.31Å; V301-M313 HydrophobicContact CG1-SD 4.27Å; V301-M313 HydrophobicContact CG2-CE 3.76Å; Y309-M313 PolarHBondContact O-N 3.49Å; L310-M313 PolarHBondContact O-N 2.8Å; M313-R315 VanDerWaalsContact C-N 3.26Å; M313-R315 PolarHBondContact O-N 2.86Å; M313-S316 PolarHBondContact O-N 2.92Å; M313-S316 VanDerWaalsContact O-N 3.07Å; M313-S316 PolarHBondContact O-OG 2.98Å; M313-L317 PolarHBondContact O-N 3.2Å; M313-L317 HydrophobicContact SD-CB 4.4Å; M313-L317 HydrophobicContact SD-CD2 4.25Å; M313-L387 HydrophobicContact CE-CB 3.64Å; M313-L387 HydrophobicContact CE-CD1 4.32Å; M313-E388 WeakPolarHBondContact CE-O 3.3Å; M313-E389 WeakPolarHBondContact CB-O 3.28Å; M313-L391 WeakPolarHBondContact CA-O 3.46Å; M313-L391 VanDerWaalsContact CB-O 3.24Å; M313-L391 WeakPolarHBondContact CB-O 3.49Å; M313-L391 WeakPolarHBondContact CG-O 3.47Å; M313-F496 HydrophobicContact CB-CZ 4.27Å
314	L	98.8	Very high	97.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-61	-34.1	-179.9	-71.8	177.6	0	0	0	112.5	V301 L310 L317 L318 V330 V342 F346 L348	V301-L314 HydrophobicContact CG2-CD2 4.5Å; L310-L314 HydrophobicContact CD1-CD1 3.9Å; L310-L314 HydrophobicContact CD1-CD2 4.45Å; L310-L314 HydrophobicContact CD1-CG 3.93Å; L310-L314 HydrophobicContact CG-CD1 3.91Å; L310-L314 HydrophobicContact CG-CG 4.33Å; L310-L314 WeakPolarHBondContact O-CB 3.45Å; L310-L314 VanDerWaalsContact O-CG 3.26Å; L310-L314 WeakPolarHBondContact O-CG 3.47Å; L310-L314 PolarHBondContact O-N 2.59Å; L314-L317 HydrophobicContact CD2-CD2 4.15Å; L314-L317 PolarHBondContact O-N 2.92Å; L314-L318 WeakPolarHBondContact O-CB 3.49Å; L314-L318 VanDerWaalsContact O-CG 3.22Å; L314-L318 WeakPolarHBondContact O-CG 3.31Å; L314-L318 PolarHBondContact O-N 2.75Å; L314-V330 HydrophobicContact CD2-CG2 4.29Å; L314-V342 HydrophobicContact CD1-CG1 4.17Å; L314-F346 HydrophobicContact CB-CD2 3.99Å; L314-F346 HydrophobicContact CB-CE2 3.9Å; L314-F346 HydrophobicContact CD1-CD2 3.83Å; L314-F346 HydrophobicContact CD1-CE2 4.27Å; L314-L348 HydrophobicContact CD1-CD1 4.15Å; L314-L348 HydrophobicContact CD2-CD1 3.73Å; L314-L348 HydrophobicContact CG-CD1 4.47Å
315	R	98.2	Very high	97.7	Very high	71 Å²	71	32.8 Å²	32.8	27%	0.268	16%	0.163	S	C	.	.	H	α-helix	trans	-61.6	-47.1	173.4	-72.7	179.5	64.1	98.8	9.6	112.3	F284 Y311 R312 M313 S319 F346	F284-R315 HydrophobicContact CZ-CB 4.34Å; F284-R315 HydrophobicContact CZ-CG 4.01Å; Y311-R315 HydrophobicContact CE2-CG 4.15Å; Y311-R315 WeakPolarHBondContact O-CG 3.31Å; Y311-R315 PolarHBondContact O-N 2.89Å; Y311-R315 WeakPolarHBondContact OH-CD 3.11Å; Y311-R315 PolarHBondContact OH-NH1 3.46Å; R312-R315 WeakPolarHBondContact O-CB 3.48Å; R312-R315 PolarHBondContact O-N 3.29Å; M313-R315 VanDerWaalsContact C-N 3.26Å; M313-R315 PolarHBondContact O-N 2.86Å; R315-S319 WeakPolarHBondContact O-CB 3.32Å; R315-S319 PolarHBondContact O-N 3.35Å; R315-S319 VanDerWaalsContact O-N 3.14Å; R315-S319 PolarHBondContact O-OG 2.93Å; R315-F346 HydrophobicContact CG-CE1 4.36Å; R315-F346 HydrophobicContact CG-CZ 3.78Å
316	S	98.6	Very high	97.7	Very high	24 Å²	24	36.5 Å²	36.5	17%	0.168	18%	0.177	C	C	.	.	H	α-helix	trans	-65.4	-41.6	178.5	71.3	0	0	0	0	111.3	R312 M313 S319 A320 I393	R312-S316 PolarHBondContact O-N 3.38Å; M313-S316 PolarHBondContact O-N 2.92Å; M313-S316 VanDerWaalsContact O-N 3.07Å; M313-S316 PolarHBondContact O-OG 2.98Å; S316-S319 PolarHBondContact O-N 3.38Å; S316-A320 PolarHBondContact O-N 3.48Å; S316-I393 PolarHBondContact OG-N 3.3Å
317	L	98.8	Very high	97.8	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-60.3	-49.5	177.6	178	58.5	0	0	0	112.2	V301 M313 L314 S319 A320 I328 L387 I393 F398	V301-L317 HydrophobicContact CG2-CD2 4.1Å; M313-L317 PolarHBondContact O-N 3.2Å; M313-L317 HydrophobicContact SD-CB 4.4Å; M313-L317 HydrophobicContact SD-CD2 4.25Å; L314-L317 HydrophobicContact CD2-CD2 4.15Å; L314-L317 PolarHBondContact O-N 2.92Å; L317-S319 PolarHBondContact O-N 3.34Å; L317-A320 WeakPolarHBondContact O-CB 3.41Å; L317-A320 PolarHBondContact O-N 2.97Å; L317-I328 HydrophobicContact CD2-CD1 3.84Å; L317-I328 HydrophobicContact CD2-CG2 4.33Å; L317-I328 HydrophobicContact CG-CD1 4.1Å; L317-L387 HydrophobicContact CD1-CD1 3.71Å; L317-L387 HydrophobicContact CD2-CD1 4Å; L317-L387 HydrophobicContact CG-CD1 4.45Å; L317-I393 HydrophobicContact CB-CG1 4.15Å; L317-I393 HydrophobicContact CD1-CG1 4.38Å; L317-I393 HydrophobicContact CD1-CG2 4.39Å; L317-F398 HydrophobicContact CD1-CE2 3.97Å; L317-F398 HydrophobicContact CD1-CZ 3.77Å
318	L	98.5	Very high	97.9	Very high	12 Å²	12	34.1 Å²	34.1	6%	0.063	17%	0.169	C	C	.	.	H	α-helix	trans	-73.1	-13.6	-179.5	-65.1	171.7	0	0	0	113.2	F284 L314 P325 I328 F346 L348	F284-L318 HydrophobicContact CB-CB 4.44Å; F284-L318 WeakPolarHBondContact CB-O 3.49Å; F284-L318 HydrophobicContact CD2-CB 3.52Å; F284-L318 HydrophobicContact CD2-CD1 4.06Å; F284-L318 HydrophobicContact CD2-CG 4.45Å; F284-L318 HydrophobicContact CE2-CB 4.07Å; F284-L318 HydrophobicContact CE2-CD1 4.08Å; F284-L318 HydrophobicContact CG-CB 4.18Å; L314-L318 WeakPolarHBondContact O-CB 3.49Å; L314-L318 VanDerWaalsContact O-CG 3.22Å; L314-L318 WeakPolarHBondContact O-CG 3.31Å; L314-L318 PolarHBondContact O-N 2.75Å; L318-P325 HydrophobicContact CD2-CB 4.15Å; L318-P325 HydrophobicContact CD2-CG 4.02Å; L318-I328 HydrophobicContact CD2-CD1 3.92Å; L318-F346 HydrophobicContact CD1-CB 3.94Å; L318-F346 HydrophobicContact CD1-CD1 3.81Å; L318-F346 HydrophobicContact CD1-CE1 4.49Å; L318-F346 HydrophobicContact CD1-CG 3.88Å; L318-L348 HydrophobicContact CD1-CD1 4.36Å; L318-L348 HydrophobicContact CD2-CD2 4.19Å
319	S	98.1	Very high	98.1	Very high	49 Å²	49	31.3 Å²	31.3	34%	0.343	15%	0.154	S	C	.	.	H	α-helix	trans	-93.1	-8.8	174.2	-56.1	0	0	0	0	113	F284 R315 S316 L317	F284-S319 WeakPolarHBondContact CD1-OG 3.36Å; R315-S319 WeakPolarHBondContact O-CB 3.32Å; R315-S319 PolarHBondContact O-N 3.35Å; R315-S319 VanDerWaalsContact O-N 3.14Å; R315-S319 PolarHBondContact O-OG 2.93Å; S316-S319 PolarHBondContact O-N 3.38Å; L317-S319 PolarHBondContact O-N 3.34Å
320	A	98.3	Very high	98.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.146	C	C	.	.	S	Bend	trans	-72.4	141.1	-179.8	0	0	0	0	0	111.6	P286 S316 L317 G322 V323 I393 F398	P286-A320 WeakPolarHBondContact CB-O 3.48Å; S316-A320 PolarHBondContact O-N 3.48Å; L317-A320 WeakPolarHBondContact O-CB 3.41Å; L317-A320 PolarHBondContact O-N 2.97Å; A320-G322 PolarHBondContact O-N 3.49Å; A320-V323 WeakPolarHBondContact O-CB 3.05Å; A320-V323 VanDerWaalsContact O-CG1 3.32Å; A320-V323 WeakPolarHBondContact O-CG1 3.33Å; A320-V323 PolarHBondContact O-N 3.15Å; A320-I393 HydrophobicContact CB-CG2 4.37Å; A320-F398 HydrophobicContact CB-CD2 4Å; A320-F398 HydrophobicContact CB-CE2 4.05Å
321	H	97.9	Very high	98.2	Very high	20 Å²	20	29.4 Å²	29.4	9%	0.093	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	135.1	-177.5	-68.3	-174.5	0	0	0	111.3	D287 L289 V323 V395 F398 N522	D287-H321 CarbonylContact O-C 3.54Å; D287-H321 WeakPolarHBondContact O-CA 3.49Å; D287-H321 IonicContact OD2-CE1 3.01Å; D287-H321 PolarHBondContact OD2-CE1 3.37Å; D287-H321 IonicContact OD2-NE2 2.87Å; L289-H321 HydrophobicContact CD2-CB 4.26Å; L289-H321 HydrophobicContact CG-CB 4.47Å; H321-V323 VanDerWaalsContact C-N 3.27Å; H321-V323 PolarHBondContact O-N 3.18Å; H321-V395 WeakPolarHBondContact CB-O 3.23Å; H321-V395 PolarHBondContact N-O 2.95Å; H321-V395 WeakPolarHBondContact NE2-CG2 3.38Å; H321-F398 WeakPolarHBondContact O-CB 3.4Å; H321-N522 PolarHBondContact ND1-ND2 3.37Å; H321-N522 PolarHBondContact ND1-OD1 2.84Å
322	G	96.8	Very high	98.2	Very high	9 Å²	9	27.9 Å²	27.9	9%	0.093	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	13.6	179.6	0	0	0	0	0	116.2	D287 N292 A320	D287-G322 PolarHBondContact O-N 2.92Å; N292-G322 PolarHBondContact ND2-O 3.39Å; A320-G322 PolarHBondContact O-N 3.49Å
323	V	97.9	Very high	98.3	Very high	16 Å²	16	23 Å²	23	10%	0.097	12%	0.124	C	C	.	.			trans	-59.3	142.4	170.2	67.8	0	0	0	0	111	P286 A320 H321 I328 F398	P286-V323 HydrophobicContact CG-CG1 3.62Å; A320-V323 WeakPolarHBondContact O-CB 3.05Å; A320-V323 VanDerWaalsContact O-CG1 3.32Å; A320-V323 WeakPolarHBondContact O-CG1 3.33Å; A320-V323 PolarHBondContact O-N 3.15Å; H321-V323 VanDerWaalsContact C-N 3.27Å; H321-V323 PolarHBondContact O-N 3.18Å; V323-I328 HydrophobicContact CG2-CD1 4.02Å; V323-F398 HydrophobicContact CB-CD2 4.01Å; V323-F398 HydrophobicContact CB-CE2 3.53Å; V323-F398 HydrophobicContact CB-CZ 4.25Å; V323-F398 HydrophobicContact CG2-CE2 3.63Å; V323-F398 HydrophobicContact CG2-CZ 3.91Å
324	N	97.5	Very high	98.2	Very high	22 Å²	22	23.1 Å²	23.1	12%	0.118	13%	0.125	C	C	.	.			trans	-116.7	102.2	170	178.1	3.4	0	0	0	109.1	F295 Q326 V327	F295-N324 HydrophobicContact CD2-CB 4.08Å; F295-N324 WeakPolarHBondContact CE1-ND2 3.43Å; F295-N324 HydrophobicContact CE2-CB 3.87Å; F295-N324 HydrophobicContact CZ-CB 4.21Å; F295-N324 PolarHBondContact O-ND2 2.94Å; N324-Q326 PolarHBondContact O-N 2.74Å; N324-Q326 VanDerWaalsContact O-N 3.12Å; N324-Q326 WeakPolarHBondContact OD1-CB 3.35Å; N324-Q326 PolarHBondContact OD1-N 2.85Å; N324-Q326 VanDerWaalsContact OD1-N 3.16Å; N324-V327 HydrophobicContact CB-CG2 3.97Å; N324-V327 VanDerWaalsContact O-CG2 3.27Å; N324-V327 WeakPolarHBondContact O-CG2 3.43Å; N324-V327 PolarHBondContact O-N 3.49Å
325	P	97.5	Very high	98.2	Very high	55 Å²	55	30.1 Å²	30.1	36%	0.357	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-59.7	-24.8	-177.6	-26.6	35.9	0	0	0	114.4	L318 V327 I328 L348	L318-P325 HydrophobicContact CD2-CB 4.15Å; L318-P325 HydrophobicContact CD2-CG 4.02Å; P325-V327 VanDerWaalsContact C-N 3.26Å; P325-V327 PolarHBondContact O-N 3.49Å; P325-I328 PolarHBondContact O-N 2.97Å; P325-L348 HydrophobicContact CB-CD2 4.06Å
326	Q	97.2	Very high	98.1	Very high	165 Å²	165	30 Å²	30	77%	0.771	15%	0.152	S	C	*	.	G	3₁₀ helix	trans	-72.5	-18	-175.8	-60	-60	-35.1	0	0	113.7	N324	N324-Q326 PolarHBondContact O-N 2.74Å; N324-Q326 VanDerWaalsContact O-N 3.12Å; N324-Q326 WeakPolarHBondContact OD1-CB 3.35Å; N324-Q326 PolarHBondContact OD1-N 2.85Å; N324-Q326 VanDerWaalsContact OD1-N 3.16Å
327	V	97.8	Very high	98	Very high	17 Å²	17	35 Å²	35	10%	0.103	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-101.9	5.4	178.5	-58.2	0	0	0	0	112.7	V297 V299 N324 P325	V297-V327 WeakPolarHBondContact O-CG2 3.32Å; V299-V327 PolarHBondContact N-O 3.5Å; N324-V327 HydrophobicContact CB-CG2 3.97Å; N324-V327 VanDerWaalsContact O-CG2 3.27Å; N324-V327 WeakPolarHBondContact O-CG2 3.43Å; N324-V327 PolarHBondContact O-N 3.49Å; P325-V327 VanDerWaalsContact C-N 3.26Å; P325-V327 PolarHBondContact O-N 3.49Å
328	I	98.8	Very high	98	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.01	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	127.3	175.9	-55.2	175.7	0	0	0	109.5	V299 V301 L317 L318 V323 P325 V330 L348	V299-I328 HydrophobicContact CB-CG1 4.13Å; V299-I328 HydrophobicContact CG2-CG1 4.47Å; V299-I328 WeakPolarHBondContact O-CA 3.31Å; V301-I328 HydrophobicContact CG2-CG2 4Å; L317-I328 HydrophobicContact CD2-CD1 3.84Å; L317-I328 HydrophobicContact CD2-CG2 4.33Å; L317-I328 HydrophobicContact CG-CD1 4.1Å; L318-I328 HydrophobicContact CD2-CD1 3.92Å; V323-I328 HydrophobicContact CG2-CD1 4.02Å; P325-I328 PolarHBondContact O-N 2.97Å; I328-V330 HydrophobicContact CG2-CG2 4.48Å; I328-L348 HydrophobicContact CB-CD2 4.43Å; I328-L348 HydrophobicContact CD1-CD2 4.45Å; I328-L348 HydrophobicContact CG2-CD1 4.27Å
329	T	98.9	Very high	98	Very high	5 Å²	5	36.2 Å²	36.2	3%	0.031	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	127.6	168.6	-56.8	0	0	0	0	109.8	V299 V301 F331 K349 V351 L377	V299-T329 PolarHBondContact O-N 3.44Å; V301-T329 PolarHBondContact N-O 3.47Å; T329-F331 HydrophobicContact CG2-CD1 4.47Å; T329-F331 HydrophobicContact CG2-CD2 4.2Å; T329-F331 HydrophobicContact CG2-CE1 3.94Å; T329-F331 HydrophobicContact CG2-CE2 3.64Å; T329-F331 HydrophobicContact CG2-CZ 3.5Å; T329-F331 VanDerWaalsContact CG2-CZ 3.5Å; T329-K349 WeakPolarHBondContact CA-O 3.33Å; T329-K349 HydrophobicContact CG2-CD 4.29Å; T329-K349 HydrophobicContact CG2-CG 4.25Å; T329-V351 HydrophobicContact CG2-CG2 3.79Å; T329-L377 HydrophobicContact CG2-CD1 4.47Å
330	V	98.9	Very high	98	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	117.1	177.2	-173.5	0	0	0	0	109.6	V301 A303 L310 L314 I328 I332 V343 K349 G350 V351	V301-V330 HydrophobicContact CB-CB 4.39Å; V301-V330 HydrophobicContact CB-CG1 4.3Å; V301-V330 HydrophobicContact CB-CG2 4.07Å; V301-V330 HydrophobicContact CG1-CG1 4.12Å; V301-V330 HydrophobicContact CG1-CG2 4.43Å; V301-V330 HydrophobicContact CG2-CG2 4.42Å; A303-V330 HydrophobicContact CB-CG1 4.1Å; L310-V330 HydrophobicContact CD1-CG1 4Å; L310-V330 HydrophobicContact CD2-CG1 4.18Å; L314-V330 HydrophobicContact CD2-CG2 4.29Å; I328-V330 HydrophobicContact CG2-CG2 4.48Å; V330-I332 HydrophobicContact CG1-CG1 4.19Å; V330-V343 HydrophobicContact CB-CG1 4.34Å; V330-V343 HydrophobicContact CB-CG2 3.73Å; V330-V343 HydrophobicContact CG1-CG2 3.67Å; V330-V343 HydrophobicContact CG2-CG1 4.31Å; V330-V343 HydrophobicContact CG2-CG2 3.91Å; V330-K349 PolarHBondContact N-O 2.77Å; V330-G350 CarbonylContact O-C 3.58Å; V330-G350 WeakPolarHBondContact O-CA 3.43Å; V330-V351 PolarHBondContact O-N 2.98Å
331	F	98.9	Very high	98	Very high	6 Å²	6	36 Å²	36	3%	0.026	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	112.1	179.2	-63.4	-85.2	0	0	0	110.1	A300 V301 A303 T329 V351 H366 S370 A373 T374	A300-F331 HydrophobicContact CB-CD2 4.18Å; A300-F331 HydrophobicContact CB-CE2 3.89Å; V301-F331 PolarHBondContact O-N 2.76Å; A303-F331 PolarHBondContact N-O 3.1Å; T329-F331 HydrophobicContact CG2-CD1 4.47Å; T329-F331 HydrophobicContact CG2-CD2 4.2Å; T329-F331 HydrophobicContact CG2-CE1 3.94Å; T329-F331 HydrophobicContact CG2-CE2 3.64Å; T329-F331 HydrophobicContact CG2-CZ 3.5Å; T329-F331 VanDerWaalsContact CG2-CZ 3.5Å; F331-V351 WeakPolarHBondContact CA-O 3.32Å; F331-V351 HydrophobicContact CD1-CB 3.8Å; F331-V351 HydrophobicContact CD1-CG1 4.04Å; F331-V351 HydrophobicContact CD1-CG2 4.39Å; F331-V351 HydrophobicContact CE1-CB 4.04Å; F331-V351 HydrophobicContact CE1-CG1 4.23Å; F331-V351 HydrophobicContact CE1-CG2 4.15Å; F331-H366 PolarHBondContact O-CE1 3.26Å; F331-H366 PolarHBondContact O-NE2 2.85Å; F331-S370 WeakPolarHBondContact CB-OG 3.3Å; F331-S370 WeakPolarHBondContact CG-OG 3.41Å; F331-A373 HydrophobicContact CE1-CB 3.66Å; F331-A373 HydrophobicContact CZ-CB 4.09Å; F331-T374 VanDerWaalsContact CE2-OG1 3.27Å; F331-T374 WeakPolarHBondContact CE2-OG1 3.17Å; F331-T374 WeakPolarHBondContact CZ-OG1 3.3Å
332	I	98.9	Very high	98.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	122.5	-176.9	-59.4	164	0	0	0	109.1	A303 V330 G334 Y336 P339 M340 V343 V351 Q352 H353	A303-I332 HydrophobicContact CB-CG1 4.24Å; A303-I332 WeakPolarHBondContact O-CA 3.47Å; V330-I332 HydrophobicContact CG1-CG1 4.19Å; I332-G334 WeakPolarHBondContact CG2-O 3.26Å; I332-G334 PolarHBondContact O-N 3.38Å; I332-Y336 HydrophobicContact CG2-CD2 4.07Å; I332-P339 HydrophobicContact CD1-CB 3.98Å; I332-P339 HydrophobicContact CG1-CB 4.41Å; I332-P339 HydrophobicContact CG2-CB 4.3Å; I332-M340 HydrophobicContact CD1-CB 4.22Å; I332-M340 HydrophobicContact CD1-CE 3.91Å; I332-M340 HydrophobicContact CD1-SD 4.38Å; I332-V343 HydrophobicContact CD1-CG2 4.32Å; I332-V351 PolarHBondContact N-O 3.14Å; I332-Q352 HydrophobicContact CB-CG 4.3Å; I332-H353 PolarHBondContact O-N 2.99Å
333	D	98.4	Very high	98.1	Very high	11 Å²	11	34.7 Å²	34.7	6%	0.059	16%	0.164	C	C	.	.	S	Bend	trans	-78.7	65.1	178.1	-173.1	27.8	0	0	0	112.3	A303 Y336 H353 P355 R362 H366	A303-D333 PolarHBondContact O-N 3.13Å; D333-Y336 WeakPolarHBondContact O-CE2 3.43Å; D333-H353 IonicContact OD1-ND1 3.82Å; D333-P355 WeakPolarHBondContact OD1-CA 3.39Å; D333-R362 PolarHBondContact O-NH2 3.24Å; D333-R362 IonicContact OD1-NE 3.84Å; D333-R362 VanDerWaalsContact OD2-CG 3.3Å; D333-R362 WeakPolarHBondContact OD2-CG 3.36Å; D333-R362 IonicContact OD2-CZ 3.73Å; D333-R362 IonicContact OD2-NE 3.75Å; D333-R362 PolarHBondContact OD2-NE 3.02Å; D333-R362 IonicContact OD2-NH2 3.96Å; D333-R362 PolarHBondContact OD2-NH2 2.77Å; D333-H366 HydrophobicContact CB-CB 4.23Å; D333-H366 PolarHBondContact N-CE1 3.35Å; D333-H366 PolarHBondContact N-NE2 2.98Å
334	G	97.6	Very high	98.1	Very high	2 Å²	2	38.2 Å²	38.2	2%	0.021	18%	0.18	C	C	.	.	S	Bend	trans	145.9	169.1	177.9	0	0	0	0	0	112.9	I332 Y336 Q352 H353	I332-G334 WeakPolarHBondContact CG2-O 3.26Å; I332-G334 PolarHBondContact O-N 3.38Å; G334-Y336 PolarHBondContact O-N 2.85Å; G334-Y336 VanDerWaalsContact O-N 3.17Å; G334-Q352 WeakPolarHBondContact O-CG 3.48Å; G334-H353 VanDerWaalsContact CA-O 3.28Å; G334-H353 WeakPolarHBondContact CA-O 3.35Å; G334-H353 PolarHBondContact N-O 2.9Å
335	Y	97.9	Very high	98.2	Very high	146 Å²	146	37.3 Å²	37.3	57%	0.573	18%	0.175	S	C	*	.			trans	-90.2	54.3	176.3	-60.6	-84.4	0	0	0	111.1	Q352 T354	Y335-Q352 HydrophobicContact CD1-CB 3.91Å; Y335-Q352 HydrophobicContact CE1-CB 3.99Å; Y335-T354 WeakPolarHBondContact CE2-OG1 3.38Å; Y335-T354 PolarHBondContact OH-OG1 2.74Å
336	Y	97.4	Very high	98.2	Very high	68 Å²	68	35.3 Å²	35.3	27%	0.267	16%	0.161	S	C	.	.			trans	-85.5	127.6	178.3	-53.7	-65.3	0	0	0	109.8	N305 I332 D333 G334 Q352 R362	N305-Y336 HydrophobicContact CB-CD1 4Å; N305-Y336 HydrophobicContact CB-CD2 3.66Å; N305-Y336 HydrophobicContact CB-CE1 4.05Å; N305-Y336 HydrophobicContact CB-CE2 3.69Å; N305-Y336 HydrophobicContact CB-CG 3.82Å; I332-Y336 HydrophobicContact CG2-CD2 4.07Å; D333-Y336 WeakPolarHBondContact O-CE2 3.43Å; G334-Y336 PolarHBondContact O-N 2.85Å; G334-Y336 VanDerWaalsContact O-N 3.17Å; Y336-Q352 PolarHBondContact O-NE2 2.73Å; Y336-R362 PolarHBondContact OH-NH2 3.36Å; Y336-R362 VanDerWaalsContact OH-NH2 3.08Å
337	E	96.8	Very high	98.2	Very high	129 Å²	129	29.8 Å²	29.8	60%	0.603	15%	0.148	S	C	*	.	H	α-helix	trans	-72.4	-52.5	-177.1	-66.2	-169.4	-171.3	0	0	112.7	K266 M340 D341	K266-E337 WeakPolarHBondContact CE-OE2 3.2Å; K266-E337 IonicContact NZ-OE2 3.6Å; K266-E337 PolarHBondContact NZ-OE2 3.44Å; E337-M340 CarbonylContact O-C 3.58Å; E337-M340 WeakPolarHBondContact O-CA 3.45Å; E337-M340 WeakPolarHBondContact O-CB 3.39Å; E337-M340 PolarHBondContact O-N 2.8Å; E337-D341 VanDerWaalsContact O-CG 3.28Å; E337-D341 PolarHBondContact O-N 2.98Å
338	E	97.9	Very high	98.2	Very high	39 Å²	39	29.9 Å²	29.9	18%	0.182	15%	0.148	C	C	.	.	H	α-helix	trans	-58.1	-41.1	-174.6	-165.2	-177.3	152.8	0	0	112.9	R142 V267 Y270 P307 M340 D341 V342	R142-E338 IonicContact CZ-OE1 3.56Å; R142-E338 IonicContact NH1-OE2 3.62Å; R142-E338 IonicContact NH2-OE1 2.81Å; R142-E338 PolarHBondContact NH2-OE1 3.05Å; R142-E338 IonicContact NH2-OE2 3.56Å; V267-E338 HydrophobicContact CG1-CG 3.87Å; V267-E338 HydrophobicContact CG2-CG 4.29Å; Y270-E338 WeakPolarHBondContact CE2-OE1 3.18Å; Y270-E338 PolarHBondContact OH-OE1 3.23Å; P307-E338 HydrophobicContact CB-CB 4.17Å; P307-E338 HydrophobicContact CB-CG 3.77Å; P307-E338 HydrophobicContact CG-CB 4.01Å; P307-E338 VanDerWaalsContact CG-CD 3.42Å; P307-E338 HydrophobicContact CG-CG 3.65Å; P307-E338 WeakPolarHBondContact CG-OE1 3.28Å; E338-M340 PolarHBondContact O-N 2.82Å; E338-D341 PolarHBondContact O-N 3.36Å; E338-V342 WeakPolarHBondContact O-CG2 3.39Å; E338-V342 PolarHBondContact O-N 2.76Å; E338-V342 VanDerWaalsContact O-N 3.11Å
339	P	98.4	Very high	98.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-62	-38.2	171.6	-25.1	36	0	0	0	113.8	P307 L310 I332 V342 V343	P307-P339 HydrophobicContact CB-CB 4.47Å; P307-P339 HydrophobicContact CB-CG 4.05Å; P307-P339 HydrophobicContact CG-CG 4.45Å; L310-P339 HydrophobicContact CD2-CB 4.21Å; I332-P339 HydrophobicContact CD1-CB 3.98Å; I332-P339 HydrophobicContact CG1-CB 4.41Å; I332-P339 HydrophobicContact CG2-CB 4.3Å; P339-V342 PolarHBondContact O-N 3.08Å; P339-V343 WeakPolarHBondContact O-CG2 3.43Å; P339-V343 PolarHBondContact O-N 3.3Å
340	M	98.6	Very high	98.2	Very high	26 Å²	26	35.6 Å²	35.6	13%	0.128	18%	0.18	C	C	.	.	H	α-helix	trans	-70.2	-40.5	176.6	-174	59.2	75.3	0	0	111.4	I332 E337 E338 V342 V343 E344 Q352	I332-M340 HydrophobicContact CD1-CB 4.22Å; I332-M340 HydrophobicContact CD1-CE 3.91Å; I332-M340 HydrophobicContact CD1-SD 4.38Å; E337-M340 CarbonylContact O-C 3.58Å; E337-M340 WeakPolarHBondContact O-CA 3.45Å; E337-M340 WeakPolarHBondContact O-CB 3.39Å; E337-M340 PolarHBondContact O-N 2.8Å; E338-M340 PolarHBondContact O-N 2.82Å; M340-V342 PolarHBondContact O-N 3.13Å; M340-V343 WeakPolarHBondContact O-CA 3.46Å; M340-V343 WeakPolarHBondContact O-CB 3.29Å; M340-V343 PolarHBondContact O-N 3.15Å; M340-V343 HydrophobicContact SD-CB 4.22Å; M340-V343 HydrophobicContact SD-CG1 4.37Å; M340-E344 HydrophobicContact CG-CG 4.37Å; M340-E344 WeakPolarHBondContact O-CG 3.32Å; M340-E344 PolarHBondContact O-N 3.25Å; M340-Q352 HydrophobicContact CE-CG 3.49Å; M340-Q352 VanDerWaalsContact CE-CG 3.49Å
341	D	98.3	Very high	98.2	Very high	19 Å²	19	37.9 Å²	37.9	10%	0.102	19%	0.194	C	C	.	.	H	α-helix	trans	-58	-36.7	175.8	-63.1	-39.7	0	0	0	110.7	F263 K266 V267 E337 E338 L345	F263-D341 HydrophobicContact CD2-CB 4.01Å; F263-D341 WeakPolarHBondContact CD2-O 3.36Å; F263-D341 HydrophobicContact CE2-CB 4.18Å; K266-D341 WeakPolarHBondContact CD-OD2 3.12Å; K266-D341 VanDerWaalsContact CE-OD2 3.32Å; K266-D341 WeakPolarHBondContact CE-OD2 3.27Å; K266-D341 VanDerWaalsContact NZ-CG 3.33Å; K266-D341 IonicContact NZ-OD1 3.5Å; K266-D341 PolarHBondContact NZ-OD1 3.38Å; K266-D341 IonicContact NZ-OD2 3.75Å; K266-D341 PolarHBondContact NZ-OD2 2.82Å; V267-D341 HydrophobicContact CG2-CB 4.26Å; E337-D341 VanDerWaalsContact O-CG 3.28Å; E337-D341 PolarHBondContact O-N 2.98Å; E338-D341 PolarHBondContact O-N 3.36Å; D341-L345 WeakPolarHBondContact O-CB 3.3Å; D341-L345 PolarHBondContact O-N 3.15Å
342	V	98.6	Very high	98.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-65.3	-40.6	172.9	169.5	0	0	0	0	112.2	F263 Y270 P307 L310 Y311 L314 E338 P339 M340 L345 F346	F263-V342 HydrophobicContact CE2-CG2 3.85Å; F263-V342 HydrophobicContact CZ-CG2 4.2Å; Y270-V342 HydrophobicContact CE1-CG2 3.98Å; P307-V342 HydrophobicContact CB-CG2 4.17Å; L310-V342 HydrophobicContact CD2-CG1 4.37Å; L310-V342 HydrophobicContact CG-CG1 4.22Å; Y311-V342 HydrophobicContact CD2-CG1 4.49Å; L314-V342 HydrophobicContact CD1-CG1 4.17Å; E338-V342 WeakPolarHBondContact O-CG2 3.39Å; E338-V342 PolarHBondContact O-N 2.76Å; E338-V342 VanDerWaalsContact O-N 3.11Å; P339-V342 PolarHBondContact O-N 3.08Å; M340-V342 PolarHBondContact O-N 3.13Å; V342-L345 WeakPolarHBondContact O-CB 3.45Å; V342-L345 PolarHBondContact O-N 2.67Å; V342-F346 HydrophobicContact CG1-CD2 4.38Å; V342-F346 HydrophobicContact CG1-CE2 4.18Å; V342-F346 VanDerWaalsContact O-CD2 3.28Å; V342-F346 WeakPolarHBondContact O-CD2 3.33Å; V342-F346 PolarHBondContact O-N 2.83Å
343	V	98.6	Very high	98	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-65.2	-45.1	177.4	173.4	0	0	0	0	110.7	L310 V330 I332 P339 M340 L345 F346 G347 L348	L310-V343 HydrophobicContact CD2-CG2 4.05Å; V330-V343 HydrophobicContact CB-CG1 4.34Å; V330-V343 HydrophobicContact CB-CG2 3.73Å; V330-V343 HydrophobicContact CG1-CG2 3.67Å; V330-V343 HydrophobicContact CG2-CG1 4.31Å; V330-V343 HydrophobicContact CG2-CG2 3.91Å; I332-V343 HydrophobicContact CD1-CG2 4.32Å; P339-V343 WeakPolarHBondContact O-CG2 3.43Å; P339-V343 PolarHBondContact O-N 3.3Å; M340-V343 WeakPolarHBondContact O-CA 3.46Å; M340-V343 WeakPolarHBondContact O-CB 3.29Å; M340-V343 PolarHBondContact O-N 3.15Å; M340-V343 HydrophobicContact SD-CB 4.22Å; M340-V343 HydrophobicContact SD-CG1 4.37Å; V343-L345 VanDerWaalsContact C-N 3.35Å; V343-L345 PolarHBondContact O-N 2.8Å; V343-F346 PolarHBondContact O-N 2.81Å; V343-G347 PolarHBondContact O-N 2.97Å; V343-G347 VanDerWaalsContact O-N 3.07Å; V343-L348 HydrophobicContact CG1-CB 4.02Å; V343-L348 WeakPolarHBondContact CG1-O 3.49Å; V343-L348 PolarHBondContact O-N 2.78Å; V343-L348 VanDerWaalsContact O-N 3.15Å
344	E	98.1	Very high	97.9	Very high	91 Å²	91	45.7 Å²	45.7	43%	0.425	24%	0.235	S	C	.	.	H	α-helix	trans	-65.4	-36.6	177.7	-69.7	-179.1	-177.1	0	0	112.2	R259 M340 F346 G347	R259-E344 WeakPolarHBondContact CD-O 3.36Å; M340-E344 HydrophobicContact CG-CG 4.37Å; M340-E344 WeakPolarHBondContact O-CG 3.32Å; M340-E344 PolarHBondContact O-N 3.25Å; E344-F346 PolarHBondContact O-N 3.48Å; E344-G347 WeakPolarHBondContact O-CA 3.43Å; E344-G347 PolarHBondContact O-N 3.32Å
345	L	98	Very high	97.9	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-53.3	-44.2	174	177	65.3	0	0	0	111.4	R259 F263 I273 I282 D341 V342 V343	R259-L345 PolarHBondContact NH1-O 3.03Å; F263-L345 HydrophobicContact CB-CB 4.49Å; F263-L345 HydrophobicContact CB-CD1 3.82Å; F263-L345 HydrophobicContact CD1-CD1 4.33Å; F263-L345 HydrophobicContact CD1-CD2 4.01Å; F263-L345 HydrophobicContact CD2-CB 4.01Å; F263-L345 HydrophobicContact CD2-CD2 4.15Å; F263-L345 HydrophobicContact CD2-CG 4.47Å; F263-L345 HydrophobicContact CE1-CD2 4.09Å; F263-L345 HydrophobicContact CE2-CD2 4.23Å; F263-L345 HydrophobicContact CG-CB 4.28Å; F263-L345 HydrophobicContact CG-CD1 4Å; F263-L345 HydrophobicContact CG-CD2 4.04Å; F263-L345 HydrophobicContact CG-CG 4.33Å; F263-L345 HydrophobicContact CZ-CD2 4.2Å; I273-L345 HydrophobicContact CD1-CD2 4.12Å; I273-L345 HydrophobicContact CG2-CD2 4.46Å; I282-L345 HydrophobicContact CD1-CD1 3.75Å; I282-L345 HydrophobicContact CG2-CD1 4.1Å; I282-L345 HydrophobicContact CG2-CD2 4.4Å; I282-L345 HydrophobicContact CG2-CG 4.26Å; D341-L345 WeakPolarHBondContact O-CB 3.3Å; D341-L345 PolarHBondContact O-N 3.15Å; V342-L345 WeakPolarHBondContact O-CB 3.45Å; V342-L345 PolarHBondContact O-N 2.67Å; V343-L345 VanDerWaalsContact C-N 3.35Å; V343-L345 PolarHBondContact O-N 2.8Å
346	F	98.1	Very high	97.9	Very high	14 Å²	14	44.4 Å²	44.4	6%	0.061	24%	0.239	C	C	.	.	H	α-helix	trans	-84.8	-7.7	177.4	-65.4	-61.5	0	0	0	113.7	R259 I282 F284 Y311 L314 R315 L318 V342 V343 E344 L348	R259-F346 PolarHBondContact NH1-O 2.81Å; I282-F346 HydrophobicContact CB-CE1 4.41Å; I282-F346 WeakPolarHBondContact O-CD1 3.26Å; F284-F346 HydrophobicContact CE2-CD1 4.06Å; F284-F346 AromaticContact CE2-CE1 3.69Å; F284-F346 HydrophobicContact CE2-CE1 3.69Å; F284-F346 HydrophobicContact CZ-CE1 4.13Å; Y311-F346 AromaticContact CD2-CE2 3.68Å; Y311-F346 HydrophobicContact CD2-CE2 3.68Å; Y311-F346 AromaticContact CD2-CZ 3.62Å; Y311-F346 HydrophobicContact CD2-CZ 3.62Å; Y311-F346 HydrophobicContact CE2-CE2 4.11Å; Y311-F346 AromaticContact CE2-CZ 3.55Å; Y311-F346 HydrophobicContact CE2-CZ 3.55Å; L314-F346 HydrophobicContact CB-CD2 3.99Å; L314-F346 HydrophobicContact CB-CE2 3.9Å; L314-F346 HydrophobicContact CD1-CD2 3.83Å; L314-F346 HydrophobicContact CD1-CE2 4.27Å; R315-F346 HydrophobicContact CG-CE1 4.36Å; R315-F346 HydrophobicContact CG-CZ 3.78Å; L318-F346 HydrophobicContact CD1-CB 3.94Å; L318-F346 HydrophobicContact CD1-CD1 3.81Å; L318-F346 HydrophobicContact CD1-CE1 4.49Å; L318-F346 HydrophobicContact CD1-CG 3.88Å; V342-F346 HydrophobicContact CG1-CD2 4.38Å; V342-F346 HydrophobicContact CG1-CE2 4.18Å; V342-F346 VanDerWaalsContact O-CD2 3.28Å; V342-F346 WeakPolarHBondContact O-CD2 3.33Å; V342-F346 PolarHBondContact O-N 2.83Å; V343-F346 PolarHBondContact O-N 2.81Å; E344-F346 PolarHBondContact O-N 3.48Å; F346-L348 VanDerWaalsContact C-N 3.3Å; F346-L348 HydrophobicContact CB-CD1 4.09Å; F346-L348 HydrophobicContact CB-CG 3.94Å
347	G	97.6	Very high	97.8	Very high	49 Å²	49	43.6 Å²	43.6	51%	0.505	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.1	30.7	177.2	0	0	0	0	0	112	V343 E344	V343-G347 PolarHBondContact O-N 2.97Å; V343-G347 VanDerWaalsContact O-N 3.07Å; E344-G347 WeakPolarHBondContact O-CA 3.43Å; E344-G347 PolarHBondContact O-N 3.32Å
348	L	98.4	Very high	97.8	Very high	19 Å²	19	42.5 Å²	42.5	10%	0.099	24%	0.241	C	C	.	.			trans	-92.1	164.6	178	-60	178.5	0	0	0	110.5	L314 L318 P325 I328 V343 F346 G350	L314-L348 HydrophobicContact CD1-CD1 4.15Å; L314-L348 HydrophobicContact CD2-CD1 3.73Å; L314-L348 HydrophobicContact CG-CD1 4.47Å; L318-L348 HydrophobicContact CD1-CD1 4.36Å; L318-L348 HydrophobicContact CD2-CD2 4.19Å; P325-L348 HydrophobicContact CB-CD2 4.06Å; I328-L348 HydrophobicContact CB-CD2 4.43Å; I328-L348 HydrophobicContact CD1-CD2 4.45Å; I328-L348 HydrophobicContact CG2-CD1 4.27Å; V343-L348 HydrophobicContact CG1-CB 4.02Å; V343-L348 WeakPolarHBondContact CG1-O 3.49Å; V343-L348 PolarHBondContact O-N 2.78Å; V343-L348 VanDerWaalsContact O-N 3.15Å; F346-L348 VanDerWaalsContact C-N 3.3Å; F346-L348 HydrophobicContact CB-CD1 4.09Å; F346-L348 HydrophobicContact CB-CG 3.94Å; L348-G350 PolarHBondContact O-N 2.94Å
349	K	98.6	Very high	97.7	Very high	100 Å²	100	47.3 Å²	47.3	44%	0.435	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	121	174.5	-174.4	177	178.8	177.7	0	110.4	T329 V330 L377	T329-K349 WeakPolarHBondContact CA-O 3.33Å; T329-K349 HydrophobicContact CG2-CD 4.29Å; T329-K349 HydrophobicContact CG2-CG 4.25Å; V330-K349 PolarHBondContact N-O 2.77Å; K349-L377 VanDerWaalsContact NZ-CD2 3.26Å
350	G	98.4	Very high	97.5	Very high	27 Å²	27	48.5 Å²	48.5	28%	0.278	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	142.8	172.2	0	0	0	0	0	112.6	V330 L348	V330-G350 CarbonylContact O-C 3.58Å; V330-G350 WeakPolarHBondContact O-CA 3.43Å; L348-G350 PolarHBondContact O-N 2.94Å
351	V	98.6	Very high	97.5	Very high	48 Å²	48	47.3 Å²	47.3	29%	0.291	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	119.1	171.8	179	0	0	0	0	108.3	T329 V330 F331 I332	T329-V351 HydrophobicContact CG2-CG2 3.79Å; V330-V351 PolarHBondContact O-N 2.98Å; F331-V351 WeakPolarHBondContact CA-O 3.32Å; F331-V351 HydrophobicContact CD1-CB 3.8Å; F331-V351 HydrophobicContact CD1-CG1 4.04Å; F331-V351 HydrophobicContact CD1-CG2 4.39Å; F331-V351 HydrophobicContact CE1-CB 4.04Å; F331-V351 HydrophobicContact CE1-CG1 4.23Å; F331-V351 HydrophobicContact CE1-CG2 4.15Å; I332-V351 PolarHBondContact N-O 3.14Å
352	Q	98.1	Very high	97.5	Very high	64 Å²	64	49.6 Å²	49.6	30%	0.299	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	140	172.2	-72.4	170.3	-40	0	0	110.2	I332 G334 Y335 Y336 M340	I332-Q352 HydrophobicContact CB-CG 4.3Å; G334-Q352 WeakPolarHBondContact O-CG 3.48Å; Y335-Q352 HydrophobicContact CD1-CB 3.91Å; Y335-Q352 HydrophobicContact CE1-CB 3.99Å; Y336-Q352 PolarHBondContact O-NE2 2.73Å; M340-Q352 HydrophobicContact CE-CG 3.49Å; M340-Q352 VanDerWaalsContact CE-CG 3.49Å
353	H	95.6	Very high	97.4	Very high	40 Å²	40	51.9 Å²	51.9	19%	0.185	28%	0.283	C	S	.	.			trans	-120.8	137.2	179.1	177.1	-108.6	0	0	0	110	I332 D333 G334 P355 H366	I332-H353 PolarHBondContact O-N 2.99Å; D333-H353 IonicContact OD1-ND1 3.82Å; G334-H353 VanDerWaalsContact CA-O 3.28Å; G334-H353 WeakPolarHBondContact CA-O 3.35Å; G334-H353 PolarHBondContact N-O 2.9Å; H353-P355 VanDerWaalsContact O-CD 3.32Å; H353-P355 WeakPolarHBondContact O-CD 3.47Å; H353-H366 AromaticContact ND1-ND1 3.79Å
354	T	97.3	Very high	97.4	Very high	77 Å²	77	52 Å²	52	47%	0.472	28%	0.283	S	S	.	.			trans	-70.1	119.8	171.5	-56.1	0	0	0	0	108.9	Y335 I356	Y335-T354 WeakPolarHBondContact CE2-OG1 3.38Å; Y335-T354 PolarHBondContact OH-OG1 2.74Å; T354-I356 PolarHBondContact O-N 3.12Å
355	P	97.2	Very high	97.5	Very high	45 Å²	45	48.4 Å²	48.4	29%	0.292	27%	0.266	S	S	.	.			trans	-61.5	139.6	-177.7	-24.9	35.9	0	0	0	112.5	D333 H353 R362	D333-P355 WeakPolarHBondContact OD1-CA 3.39Å; H353-P355 VanDerWaalsContact O-CD 3.32Å; H353-P355 WeakPolarHBondContact O-CD 3.47Å; P355-R362 HydrophobicContact CB-CG 4.25Å
356	I	97.1	Very high	97.5	Very high	76 Å²	76	48.5 Å²	48.5	39%	0.39	27%	0.267	S	S	.	.			trans	-121.2	130.2	178.9	-56.8	176.1	0	0	0	108.2	T354 R362 Q365 P464	T354-I356 PolarHBondContact O-N 3.12Å; I356-R362 WeakPolarHBondContact O-CA 3.34Å; I356-Q365 HydrophobicContact CB-CB 4.26Å; I356-Q365 HydrophobicContact CB-CG 4.4Å; I356-Q365 HydrophobicContact CG2-CG 4.34Å; I356-P464 HydrophobicContact CG2-CB 3.99Å; I356-P464 HydrophobicContact CG2-CG 4.08Å
357	S	96.6	Very high	97.6	Very high	50 Å²	50	47.9 Å²	47.9	35%	0.35	26%	0.264	S	S	.	.	S	Bend	trans	68.8	-163.9	-176.8	-159.8	0	0	0	0	114	A361 P464	S357-A361 WeakPolarHBondContact OG-CB 3.33Å; S357-P464 VanDerWaalsContact CB-O 3.24Å; S357-P464 WeakPolarHBondContact CB-O 3.4Å; S357-P464 PolarHBondContact OG-O 2.85Å
358	I	95.6	Very high	97.6	Very high	107 Å²	107	48.5 Å²	48.5	55%	0.549	25%	0.253	S	S	.	.	S	Bend	trans	-132.2	162.7	-174.3	61.5	170.6	0	0	0	111.7	N360 A361 R362 L467	I358-N360 PolarHBondContact O-N 3.24Å; I358-A361 WeakPolarHBondContact O-CB 3.46Å; I358-A361 PolarHBondContact O-N 2.7Å; I358-R362 PolarHBondContact O-N 3.49Å; I358-R362 VanDerWaalsContact O-N 3.11Å; I358-L467 HydrophobicContact CG1-CD2 4.19Å
359	K	95.4	Very high	97.6	Very high	140 Å²	140	49.1 Å²	49.1	61%	0.609	26%	0.26	S	S	*	.	H	α-helix	trans	47.6	-132.4	174	-57.1	-173.4	176.3	-172.3	0	111.7	A361 R362 V363 L501	K359-A361 VanDerWaalsContact C-N 3.28Å; K359-A361 PolarHBondContact O-N 2.94Å; K359-R362 WeakPolarHBondContact O-CB 3.35Å; K359-R362 PolarHBondContact O-N 3.17Å; K359-R362 VanDerWaalsContact O-N 3.13Å; K359-V363 PolarHBondContact O-N 3.02Å; K359-L501 HydrophobicContact CB-CD1 4.5Å
360	N	95.1	Very high	97.6	Very high	25 Å²	25	44.4 Å²	44.4	13%	0.134	24%	0.24	C	C	.	.	H	α-helix	trans	-67.9	-29.6	-173.8	-44.6	18	0	0	0	111.2	I358 R362 V363 S364 D469 L501	I358-N360 PolarHBondContact O-N 3.24Å; N360-R362 VanDerWaalsContact C-N 3.34Å; N360-R362 PolarHBondContact O-N 3.22Å; N360-V363 PolarHBondContact O-N 3.04Å; N360-S364 WeakPolarHBondContact O-CB 3.34Å; N360-S364 PolarHBondContact O-N 2.61Å; N360-D469 WeakPolarHBondContact CB-OD1 3.29Å; N360-D469 VanDerWaalsContact CG-OD1 3.28Å; N360-D469 VanDerWaalsContact ND2-CG 3.27Å; N360-D469 PolarHBondContact ND2-OD1 3.25Å; N360-D469 PolarHBondContact ND2-OD2 2.93Å; N360-D469 VanDerWaalsContact ND2-OD2 3.08Å; N360-L501 HydrophobicContact CB-CD2 4.25Å; N360-L501 VanDerWaalsContact OD1-CD2 3.27Å; N360-L501 WeakPolarHBondContact OD1-CD2 3.42Å
361	A	97.6	Very high	97.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-65	-38.2	173.8	0	0	0	0	0	112.1	S357 I358 K359 S364 Q365 P464 K466 L467	S357-A361 WeakPolarHBondContact OG-CB 3.33Å; I358-A361 WeakPolarHBondContact O-CB 3.46Å; I358-A361 PolarHBondContact O-N 2.7Å; K359-A361 VanDerWaalsContact C-N 3.28Å; K359-A361 PolarHBondContact O-N 2.94Å; A361-S364 WeakPolarHBondContact O-CB 3.31Å; A361-S364 PolarHBondContact O-N 3.21Å; A361-Q365 WeakPolarHBondContact O-CG 3.36Å; A361-Q365 PolarHBondContact O-N 3.48Å; A361-P464 WeakPolarHBondContact CB-O 3.24Å; A361-K466 VanDerWaalsContact CB-O 3.26Å; A361-K466 WeakPolarHBondContact CB-O 3.43Å; A361-L467 HydrophobicContact CB-CD2 3.93Å
362	R	98.3	Very high	97.7	Very high	68 Å²	68	42.5 Å²	42.5	26%	0.257	22%	0.223	S	C	.	.	H	α-helix	trans	-59.9	-48.8	174.1	174.8	-179.1	165.4	172.5	2.3	111.6	D333 Y336 P355 I356 I358 K359 N360 S364 Q365 H366	D333-R362 PolarHBondContact O-NH2 3.24Å; D333-R362 IonicContact OD1-NE 3.84Å; D333-R362 VanDerWaalsContact OD2-CG 3.3Å; D333-R362 WeakPolarHBondContact OD2-CG 3.36Å; D333-R362 IonicContact OD2-CZ 3.73Å; D333-R362 IonicContact OD2-NE 3.75Å; D333-R362 PolarHBondContact OD2-NE 3.02Å; D333-R362 IonicContact OD2-NH2 3.96Å; D333-R362 PolarHBondContact OD2-NH2 2.77Å; Y336-R362 PolarHBondContact OH-NH2 3.36Å; Y336-R362 VanDerWaalsContact OH-NH2 3.08Å; P355-R362 HydrophobicContact CB-CG 4.25Å; I356-R362 WeakPolarHBondContact O-CA 3.34Å; I358-R362 PolarHBondContact O-N 3.49Å; I358-R362 VanDerWaalsContact O-N 3.11Å; K359-R362 WeakPolarHBondContact O-CB 3.35Å; K359-R362 PolarHBondContact O-N 3.17Å; K359-R362 VanDerWaalsContact O-N 3.13Å; N360-R362 VanDerWaalsContact C-N 3.34Å; N360-R362 PolarHBondContact O-N 3.22Å; R362-S364 VanDerWaalsContact C-N 3.32Å; R362-S364 PolarHBondContact O-N 2.97Å; R362-Q365 PolarHBondContact O-N 2.75Å; R362-H366 PolarHBondContact O-N 2.85Å
363	V	98.2	Very high	97.7	Very high	48 Å²	48	40.9 Å²	40.9	29%	0.291	22%	0.22	S	C	.	.	H	α-helix	trans	-58.8	-45.8	175.6	179.9	0	0	0	0	110.7	K359 N360 Q365 H366 Y367 L501	K359-V363 PolarHBondContact O-N 3.02Å; N360-V363 PolarHBondContact O-N 3.04Å; V363-Q365 PolarHBondContact O-N 3.02Å; V363-H366 PolarHBondContact O-N 3.32Å; V363-H366 VanDerWaalsContact O-N 3.17Å; V363-Y367 HydrophobicContact CG1-CD2 3.82Å; V363-Y367 HydrophobicContact CG1-CE2 3.89Å; V363-Y367 WeakPolarHBondContact O-CD2 3.42Å; V363-Y367 PolarHBondContact O-N 3.45Å; V363-L501 HydrophobicContact CG2-CD2 3.83Å
364	S	98.7	Very high	97.9	Very high	1 Å²	1	39 Å²	39	1%	0.007	21%	0.212	C	C	.	.	H	α-helix	trans	-58.4	-43.1	177.9	-179.5	0	0	0	0	113.1	N360 A361 R362 K368 W461	N360-S364 WeakPolarHBondContact O-CB 3.34Å; N360-S364 PolarHBondContact O-N 2.61Å; A361-S364 WeakPolarHBondContact O-CB 3.31Å; A361-S364 PolarHBondContact O-N 3.21Å; R362-S364 VanDerWaalsContact C-N 3.32Å; R362-S364 PolarHBondContact O-N 2.97Å; S364-K368 PolarHBondContact O-N 3.28Å; S364-K368 VanDerWaalsContact O-N 3.11Å; S364-W461 WeakPolarHBondContact O-CZ2 3.4Å; S364-W461 PolarHBondContact O-NE1 2.99Å; S364-W461 PolarHBondContact OG-NE1 3.17Å
365	Q	98.8	Very high	97.9	Very high	16 Å²	16	35.5 Å²	35.5	8%	0.075	19%	0.19	C	C	.	.	H	α-helix	trans	-69.6	-35.6	176.5	-62.1	-43	-63.8	0	0	112.4	I356 A361 R362 V363 K368 A369 P462 P464	I356-Q365 HydrophobicContact CB-CB 4.26Å; I356-Q365 HydrophobicContact CB-CG 4.4Å; I356-Q365 HydrophobicContact CG2-CG 4.34Å; A361-Q365 WeakPolarHBondContact O-CG 3.36Å; A361-Q365 PolarHBondContact O-N 3.48Å; R362-Q365 PolarHBondContact O-N 2.75Å; V363-Q365 PolarHBondContact O-N 3.02Å; Q365-K368 WeakPolarHBondContact O-CB 3.28Å; Q365-K368 PolarHBondContact O-N 2.88Å; Q365-A369 WeakPolarHBondContact O-CB 3.49Å; Q365-A369 PolarHBondContact O-N 3.06Å; Q365-P462 PolarHBondContact NE2-O 2.84Å; Q365-P464 HydrophobicContact CG-CB 4.06Å; Q365-P464 HydrophobicContact CG-CG 4.03Å
366	H	98.8	Very high	98	Very high	4 Å²	4	38.4 Å²	38.4	2%	0.019	20%	0.203	C	C	.	.	H	α-helix	trans	-63.4	-43.3	175.4	-174.4	50.1	0	0	0	112	F331 D333 H353 R362 V363 K368 A369 S370	F331-H366 PolarHBondContact O-CE1 3.26Å; F331-H366 PolarHBondContact O-NE2 2.85Å; D333-H366 HydrophobicContact CB-CB 4.23Å; D333-H366 PolarHBondContact N-CE1 3.35Å; D333-H366 PolarHBondContact N-NE2 2.98Å; H353-H366 AromaticContact ND1-ND1 3.79Å; R362-H366 PolarHBondContact O-N 2.85Å; V363-H366 PolarHBondContact O-N 3.32Å; V363-H366 VanDerWaalsContact O-N 3.17Å; H366-K368 PolarHBondContact O-N 3.02Å; H366-A369 PolarHBondContact O-N 3.23Å; H366-S370 PolarHBondContact CE1-OG 3.25Å; H366-S370 VanDerWaalsContact O-CB 3.28Å; H366-S370 WeakPolarHBondContact O-CB 3.41Å; H366-S370 PolarHBondContact O-N 2.91Å; H366-S370 PolarHBondContact O-OG 2.92Å
367	Y	98.9	Very high	98	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.008	20%	0.203	C	C	.	.	H	α-helix	trans	-57.4	-48.8	172.2	-97.1	-88.9	0	0	0	111.6	I302 V363 A369 S370 L371 V386 E388 W470	I302-Y367 HydrophobicContact CG1-CD1 4.41Å; I302-Y367 HydrophobicContact CG1-CE1 3.94Å; I302-Y367 HydrophobicContact CG2-CD2 4.21Å; I302-Y367 HydrophobicContact CG2-CE2 3.87Å; V363-Y367 HydrophobicContact CG1-CD2 3.82Å; V363-Y367 HydrophobicContact CG1-CE2 3.89Å; V363-Y367 WeakPolarHBondContact O-CD2 3.42Å; V363-Y367 PolarHBondContact O-N 3.45Å; Y367-A369 PolarHBondContact O-N 2.96Å; Y367-S370 PolarHBondContact O-N 3.01Å; Y367-L371 WeakPolarHBondContact O-CB 3.43Å; Y367-L371 WeakPolarHBondContact O-CG 3.28Å; Y367-L371 PolarHBondContact O-N 2.95Å; Y367-V386 HydrophobicContact CE1-CG1 3.85Å; Y367-E388 WeakPolarHBondContact OH-CG 3.3Å; Y367-E388 PolarHBondContact OH-OE1 3.47Å; Y367-W470 HydrophobicContact CD1-CD2 4.1Å; Y367-W470 HydrophobicContact CD1-CE3 4.3Å; Y367-W470 HydrophobicContact CD1-CH2 4.36Å; Y367-W470 HydrophobicContact CD1-CZ2 4.16Å; Y367-W470 HydrophobicContact CD1-CZ3 4.42Å; Y367-W470 AromaticContact CD2-CD1 3.73Å; Y367-W470 HydrophobicContact CD2-CD2 4.22Å; Y367-W470 AromaticContact CD2-CE2 3.87Å; Y367-W470 HydrophobicContact CD2-CG 4.17Å; Y367-W470 AromaticContact CD2-NE1 3.52Å; Y367-W470 HydrophobicContact CE1-CD2 4.24Å; Y367-W470 AromaticContact CE1-CE2 3.71Å; Y367-W470 HydrophobicContact CE1-CE3 4.48Å; Y367-W470 AromaticContact CE1-CH2 3.76Å; Y367-W470 HydrophobicContact CE1-CH2 3.76Å; Y367-W470 AromaticContact CE1-CZ2 3.46Å; Y367-W470 HydrophobicContact CE1-CZ2 3.46Å; Y367-W470 VanDerWaalsContact CE1-CZ2 3.46Å; Y367-W470 HydrophobicContact CE1-CZ3 4.25Å; Y367-W470 AromaticContact CE2-CD1 3.93Å; Y367-W470 HydrophobicContact CE2-CD2 4.36Å; Y367-W470 AromaticContact CE2-CE2 3.55Å; Y367-W470 AromaticContact CE2-CZ2 3.89Å; Y367-W470 HydrophobicContact CE2-CZ2 3.89Å; Y367-W470 AromaticContact CE2-NE1 3.23Å; Y367-W470 HydrophobicContact CG-CD2 4.08Å; Y367-W470 HydrophobicContact CG-CG 4.22Å; Y367-W470 AromaticContact CZ-CE2 3.46Å; Y367-W470 VanDerWaalsContact CZ-CE2 3.46Å; Y367-W470 AromaticContact CZ-CZ2 3.29Å; Y367-W470 AromaticContact CZ-NE1 3.65Å; Y367-W470 WeakPolarHBondContact OH-CZ2 3.45Å
368	K	98.8	Very high	98.1	Very high	62 Å²	62	38 Å²	38	27%	0.27	20%	0.196	S	C	.	.	H	α-helix	trans	-55.9	-54.6	176.4	-170.9	-173.4	-176.9	173.1	0	111.3	S364 Q365 H366 S370 L371 T372 Y453 W461	S364-K368 PolarHBondContact O-N 3.28Å; S364-K368 VanDerWaalsContact O-N 3.11Å; Q365-K368 WeakPolarHBondContact O-CB 3.28Å; Q365-K368 PolarHBondContact O-N 2.88Å; H366-K368 PolarHBondContact O-N 3.02Å; K368-S370 VanDerWaalsContact C-N 3.3Å; K368-S370 PolarHBondContact O-N 2.68Å; K368-L371 PolarHBondContact O-N 2.67Å; K368-T372 WeakPolarHBondContact O-CB 3.24Å; K368-T372 PolarHBondContact O-N 3.08Å; K368-T372 PolarHBondContact O-OG1 3.18Å; K368-Y453 PolarHBondContact O-OH 3.05Å; K368-W461 HydrophobicContact CB-CD2 3.97Å; K368-W461 HydrophobicContact CB-CG 4.07Å; K368-W461 HydrophobicContact CB-CZ2 4.24Å; K368-W461 HydrophobicContact CD-CB 3.89Å; K368-W461 HydrophobicContact CD-CD2 4.4Å; K368-W461 HydrophobicContact CD-CG 3.7Å; K368-W461 HydrophobicContact CG-CB 4.37Å; K368-W461 HydrophobicContact CG-CD2 4.06Å; K368-W461 HydrophobicContact CG-CG 3.89Å
369	A	98.8	Very high	98.1	Very high	31 Å²	31	37 Å²	37	26%	0.256	20%	0.196	S	C	.	.	H	α-helix	trans	-58.1	-43.3	-177.6	0	0	0	0	0	112	Q365 H366 Y367 A373	Q365-A369 WeakPolarHBondContact O-CB 3.49Å; Q365-A369 PolarHBondContact O-N 3.06Å; H366-A369 PolarHBondContact O-N 3.23Å; Y367-A369 PolarHBondContact O-N 2.96Å; A369-A373 VanDerWaalsContact O-CB 3.25Å; A369-A373 WeakPolarHBondContact O-CB 3.29Å; A369-A373 PolarHBondContact O-N 3.38Å
370	S	98.9	Very high	98.2	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.007	21%	0.208	C	C	.	.	H	α-helix	trans	-66.3	-45	-179.4	-57.3	0	0	0	0	112.4	F331 H366 Y367 K368 A373 T374	F331-S370 WeakPolarHBondContact CB-OG 3.3Å; F331-S370 WeakPolarHBondContact CG-OG 3.41Å; H366-S370 PolarHBondContact CE1-OG 3.25Å; H366-S370 VanDerWaalsContact O-CB 3.28Å; H366-S370 WeakPolarHBondContact O-CB 3.41Å; H366-S370 PolarHBondContact O-N 2.91Å; H366-S370 PolarHBondContact O-OG 2.92Å; Y367-S370 PolarHBondContact O-N 3.01Å; K368-S370 VanDerWaalsContact C-N 3.3Å; K368-S370 PolarHBondContact O-N 2.68Å; S370-A373 PolarHBondContact O-N 2.86Å; S370-T374 WeakPolarHBondContact O-CB 3.18Å; S370-T374 PolarHBondContact O-N 2.6Å; S370-T374 PolarHBondContact O-OG1 2.95Å
371	L	98.9	Very high	98.4	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-67.7	-42.7	177.9	-65.3	174.3	0	0	0	111.6	Y367 K368 A373 T374 F375 V386 L448 Y453 W461	Y367-L371 WeakPolarHBondContact O-CB 3.43Å; Y367-L371 WeakPolarHBondContact O-CG 3.28Å; Y367-L371 PolarHBondContact O-N 2.95Å; K368-L371 PolarHBondContact O-N 2.67Å; L371-A373 VanDerWaalsContact C-N 3.34Å; L371-A373 PolarHBondContact O-N 3.25Å; L371-T374 PolarHBondContact O-N 2.86Å; L371-F375 VanDerWaalsContact O-CD2 3.3Å; L371-F375 WeakPolarHBondContact O-CD2 3.39Å; L371-F375 PolarHBondContact O-N 2.85Å; L371-V386 HydrophobicContact CD2-CG2 3.62Å; L371-L448 HydrophobicContact CD1-CD2 3.88Å; L371-L448 HydrophobicContact CD2-CD2 3.81Å; L371-L448 HydrophobicContact CG-CD2 4.33Å; L371-Y453 HydrophobicContact CB-CD2 4.19Å; L371-Y453 HydrophobicContact CB-CE1 3.98Å; L371-Y453 HydrophobicContact CB-CE2 3.56Å; L371-Y453 VanDerWaalsContact CB-CZ 3.44Å; L371-Y453 HydrophobicContact CD1-CD2 3.99Å; L371-Y453 HydrophobicContact CD1-CE2 3.64Å; L371-Y453 HydrophobicContact CG-CE2 4.26Å; L371-W461 HydrophobicContact CD1-CH2 4.15Å; L371-W461 HydrophobicContact CD1-CZ3 4.34Å
372	T	98.8	Very high	98.4	Very high	34 Å²	34	39.3 Å²	39.3	21%	0.209	23%	0.227	C	C	.	.	H	α-helix	trans	-56	-50.2	172.3	-60.3	0	0	0	0	110.4	K368 F375 N376 Y453 E458	K368-T372 WeakPolarHBondContact O-CB 3.24Å; K368-T372 PolarHBondContact O-N 3.08Å; K368-T372 PolarHBondContact O-OG1 3.18Å; T372-F375 PolarHBondContact O-N 3.31Å; T372-N376 PolarHBondContact O-N 3.28Å; T372-N376 VanDerWaalsContact O-N 3.16Å; T372-N376 PolarHBondContact O-ND2 3.26Å; T372-N376 PolarHBondContact O-OD1 2.9Å; T372-Y453 PolarHBondContact N-OH 3.15Å; T372-Y453 PolarHBondContact OG1-OH 3.2Å; T372-E458 WeakPolarHBondContact CB-OE1 3.44Å; T372-E458 WeakPolarHBondContact CG2-OE1 3.24Å; T372-E458 PolarHBondContact OG1-OE1 3.05Å
373	A	98.8	Very high	98.4	Very high	30 Å²	30	37 Å²	37	25%	0.248	22%	0.219	C	C	.	.	H	α-helix	trans	-64.1	-41.3	-178.5	0	0	0	0	0	112.1	F331 A369 S370 L371 F375 N376 L377	F331-A373 HydrophobicContact CE1-CB 3.66Å; F331-A373 HydrophobicContact CZ-CB 4.09Å; A369-A373 VanDerWaalsContact O-CB 3.25Å; A369-A373 WeakPolarHBondContact O-CB 3.29Å; A369-A373 PolarHBondContact O-N 3.38Å; S370-A373 PolarHBondContact O-N 2.86Å; L371-A373 VanDerWaalsContact C-N 3.34Å; L371-A373 PolarHBondContact O-N 3.25Å; A373-F375 PolarHBondContact O-N 3.19Å; A373-N376 PolarHBondContact O-N 2.95Å; A373-N376 VanDerWaalsContact O-N 3.14Å; A373-L377 WeakPolarHBondContact O-CB 3.44Å; A373-L377 VanDerWaalsContact O-CG 3.3Å; A373-L377 WeakPolarHBondContact O-CG 3.43Å; A373-L377 PolarHBondContact O-N 3.45Å
374	T	98.8	Very high	98.4	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.012	21%	0.205	C	C	.	.	H	α-helix	trans	-56.4	-50.8	178	-60.5	0	0	0	0	111.4	P298 A300 F331 S370 L371 N376 L377 H378 A384	P298-T374 HydrophobicContact CB-CG2 3.82Å; P298-T374 HydrophobicContact CG-CG2 3.89Å; A300-T374 HydrophobicContact CB-CG2 4.46Å; F331-T374 VanDerWaalsContact CE2-OG1 3.27Å; F331-T374 WeakPolarHBondContact CE2-OG1 3.17Å; F331-T374 WeakPolarHBondContact CZ-OG1 3.3Å; S370-T374 WeakPolarHBondContact O-CB 3.18Å; S370-T374 PolarHBondContact O-N 2.6Å; S370-T374 PolarHBondContact O-OG1 2.95Å; L371-T374 PolarHBondContact O-N 2.86Å; T374-N376 VanDerWaalsContact C-N 3.28Å; T374-N376 PolarHBondContact O-N 3.48Å; T374-L377 PolarHBondContact O-N 2.85Å; T374-H378 PolarHBondContact O-CD2 2.92Å; T374-H378 PolarHBondContact O-N 3.43Å; T374-A384 HydrophobicContact CG2-CB 4Å
375	F	98.7	Very high	98.4	Very high	3 Å²	3	34.7 Å²	34.7	1%	0.013	21%	0.205	C	C	.	.	H	α-helix	trans	-72.9	-17.7	179.3	-69	-56.8	0	0	0	114.4	L371 T372 A373 H378 A384 L448 K450 Y453	L371-F375 VanDerWaalsContact O-CD2 3.3Å; L371-F375 WeakPolarHBondContact O-CD2 3.39Å; L371-F375 PolarHBondContact O-N 2.85Å; T372-F375 PolarHBondContact O-N 3.31Å; A373-F375 PolarHBondContact O-N 3.19Å; F375-H378 CarbonylContact O-C 3.54Å; F375-A384 HydrophobicContact CE1-CB 3.9Å; F375-A384 HydrophobicContact CZ-CB 3.76Å; F375-L448 HydrophobicContact CE2-CD2 4.1Å; F375-L448 HydrophobicContact CZ-CD2 4.45Å; F375-L448 HydrophobicContact CZ-CG 4.47Å; F375-K450 HydrophobicContact CB-CD 4.46Å; F375-K450 HydrophobicContact CD1-CB 3.97Å; F375-K450 HydrophobicContact CD1-CD 3.66Å; F375-K450 HydrophobicContact CD1-CG 3.73Å; F375-K450 HydrophobicContact CD2-CG 4.48Å; F375-K450 HydrophobicContact CE1-CB 3.57Å; F375-K450 HydrophobicContact CE1-CD 4.13Å; F375-K450 HydrophobicContact CE1-CG 3.87Å; F375-K450 HydrophobicContact CG-CD 4.17Å; F375-K450 HydrophobicContact CG-CG 4.06Å; F375-K450 HydrophobicContact CZ-CB 3.9Å; F375-K450 HydrophobicContact CZ-CG 4.3Å; F375-Y453 AromaticContact CD2-CD1 3.54Å; F375-Y453 HydrophobicContact CD2-CD1 3.54Å; F375-Y453 HydrophobicContact CD2-CE1 4.11Å; F375-Y453 HydrophobicContact CD2-CG 4.28Å; F375-Y453 AromaticContact CE2-CD1 3.65Å; F375-Y453 HydrophobicContact CE2-CD1 3.65Å; F375-Y453 HydrophobicContact CE2-CE1 4.49Å; F375-Y453 AromaticContact CE2-CG 3.91Å; F375-Y453 HydrophobicContact CE2-CG 3.91Å
376	N	98.2	Very high	98.5	Very high	106 Å²	106	34 Å²	34	57%	0.567	20%	0.202	S	C	*	.	H	α-helix	trans	-79.6	-38.7	171.5	-68.4	-10.4	0	0	0	111.5	T372 A373 T374 H378	T372-N376 PolarHBondContact O-N 3.28Å; T372-N376 VanDerWaalsContact O-N 3.16Å; T372-N376 PolarHBondContact O-ND2 3.26Å; T372-N376 PolarHBondContact O-OD1 2.9Å; A373-N376 PolarHBondContact O-N 2.95Å; A373-N376 VanDerWaalsContact O-N 3.14Å; T374-N376 VanDerWaalsContact C-N 3.28Å; T374-N376 PolarHBondContact O-N 3.48Å; N376-H378 VanDerWaalsContact C-N 3.3Å
377	L	97.8	Very high	98.5	Very high	72 Å²	72	33.8 Å²	33.8	38%	0.377	20%	0.201	S	C	.	.	H	α-helix	trans	-69.6	-30	175.7	-71.5	173.2	0	0	0	112.2	T329 K349 A373 T374 P379	T329-L377 HydrophobicContact CG2-CD1 4.47Å; K349-L377 VanDerWaalsContact NZ-CD2 3.26Å; A373-L377 WeakPolarHBondContact O-CB 3.44Å; A373-L377 VanDerWaalsContact O-CG 3.3Å; A373-L377 WeakPolarHBondContact O-CG 3.43Å; A373-L377 PolarHBondContact O-N 3.45Å; T374-L377 PolarHBondContact O-N 2.85Å; L377-P379 WeakPolarHBondContact O-CD 3.4Å
378	H	97.8	Very high	98.5	Very high	46 Å²	46	35.7 Å²	35.7	21%	0.213	21%	0.21	C	C	.	.			trans	-124.7	75.4	179.8	-58.1	-85.9	0	0	0	110.2	P298 T374 F375 N376 D380 A381	P298-H378 HydrophobicContact CB-CB 4.37Å; P298-H378 HydrophobicContact CG-CB 4.07Å; T374-H378 PolarHBondContact O-CD2 2.92Å; T374-H378 PolarHBondContact O-N 3.43Å; F375-H378 CarbonylContact O-C 3.54Å; N376-H378 VanDerWaalsContact C-N 3.3Å; H378-D380 PolarHBondContact O-N 2.85Å; H378-A381 HydrophobicContact CB-CB 3.82Å; H378-A381 WeakPolarHBondContact O-CB 3.27Å; H378-A381 PolarHBondContact O-N 3.45Å; H378-A381 VanDerWaalsContact O-N 3.17Å
379	P	97.2	Very high	98.5	Very high	84 Å²	84	33 Å²	33	55%	0.545	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-29.5	-173.9	24.7	-33.6	0	0	0	113.2	L377 K450	L377-P379 WeakPolarHBondContact O-CD 3.4Å; P379-K450 PolarHBondContact O-NZ 3.39Å
380	D	97.1	Very high	98.4	Very high	159 Å²	159	32 Å²	32	85%	0.85	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-4.9	-179.5	-55.3	-44.5	0	0	0	113.5	H378 G382	H378-D380 PolarHBondContact O-N 2.85Å; D380-G382 PolarHBondContact O-N 2.62Å
381	A	97.8	Very high	98.4	Very high	14 Å²	14	31.9 Å²	31.9	12%	0.116	19%	0.188	C	C	.	.			trans	-72.6	124.9	-179.7	0	0	0	0	0	111.4	P298 H378 K450	P298-A381 HydrophobicContact CG-CB 3.82Å; H378-A381 HydrophobicContact CB-CB 3.82Å; H378-A381 WeakPolarHBondContact O-CB 3.27Å; H378-A381 PolarHBondContact O-N 3.45Å; H378-A381 VanDerWaalsContact O-N 3.17Å; A381-K450 WeakPolarHBondContact O-CD 3.38Å
382	G	98.2	Very high	98.4	Very high	42 Å²	42	33.1 Å²	33.1	43%	0.433	20%	0.195	S	C	.	.	S	Bend	trans	-78.9	-20.5	171.9	0	0	0	0	0	113.9	D380 K450	D380-G382 PolarHBondContact O-N 2.62Å; G382-K450 WeakPolarHBondContact O-CB 3.33Å; G382-K450 PolarHBondContact O-N 2.9Å
383	F	98.8	Very high	98.4	Very high	18 Å²	18	31.9 Å²	31.9	8%	0.079	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	163.8	-174.8	-55.9	-76.1	0	0	0	111.4	V297 P298 I405 L408 D409 V447 L448 K449	V297-F383 HydrophobicContact CG1-CB 3.89Å; V297-F383 HydrophobicContact CG2-CB 4.43Å; P298-F383 VanDerWaalsContact CD-O 3.3Å; P298-F383 WeakPolarHBondContact CD-O 3.4Å; P298-F383 WeakPolarHBondContact CG-O 3.26Å; F383-I405 HydrophobicContact CB-CD1 4.34Å; F383-I405 HydrophobicContact CD1-CD1 4.06Å; F383-I405 HydrophobicContact CD2-CD1 3.99Å; F383-I405 HydrophobicContact CD2-CG1 3.98Å; F383-I405 HydrophobicContact CE1-CD1 4.36Å; F383-I405 HydrophobicContact CE2-CD1 4.28Å; F383-I405 HydrophobicContact CE2-CG1 4.03Å; F383-I405 HydrophobicContact CG-CD1 3.86Å; F383-I405 HydrophobicContact CG-CG1 4.38Å; F383-I405 HydrophobicContact CZ-CD1 4.45Å; F383-I405 HydrophobicContact CZ-CG1 4.45Å; F383-L408 HydrophobicContact CD1-CD1 4.12Å; F383-L408 HydrophobicContact CE1-CB 3.62Å; F383-L408 HydrophobicContact CE1-CD1 3.94Å; F383-L408 HydrophobicContact CE1-CG 4.44Å; F383-L408 HydrophobicContact CZ-CB 4.08Å; F383-D409 WeakPolarHBondContact CE2-OD2 3.33Å; F383-D409 VanDerWaalsContact CZ-CG 3.46Å; F383-D409 WeakPolarHBondContact CZ-OD1 3.17Å; F383-D409 WeakPolarHBondContact CZ-OD2 3.14Å; F383-V447 HydrophobicContact CB-CG1 3.94Å; F383-V447 HydrophobicContact CD1-CG1 4.17Å; F383-V447 HydrophobicContact CG-CG1 4.34Å; F383-L448 CarbonylContact C-O 3.56Å; F383-L448 VanDerWaalsContact CA-O 3.26Å; F383-L448 WeakPolarHBondContact CA-O 3.27Å; F383-K449 HydrophobicContact CD1-CB 4.1Å; F383-K449 HydrophobicContact CD1-CG 4.14Å; F383-K449 HydrophobicContact CE1-CB 4.06Å; F383-K449 HydrophobicContact CE1-CD 4.2Å; F383-K449 HydrophobicContact CE1-CG 3.76Å
384	A	98.8	Very high	98.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	139.3	164.7	0	0	0	0	0	109.9	P298 T374 F375 V447 L448	P298-A384 HydrophobicContact CG-CB 4.22Å; P298-A384 CarbonylContact O-C 3.58Å; P298-A384 WeakPolarHBondContact O-CA 3.42Å; T374-A384 HydrophobicContact CG2-CB 4Å; F375-A384 HydrophobicContact CE1-CB 3.9Å; F375-A384 HydrophobicContact CZ-CB 3.76Å; A384-V447 WeakPolarHBondContact O-CA 3.43Å; A384-L448 PolarHBondContact N-O 2.83Å; A384-L448 PolarHBondContact O-N 3.35Å
385	V	98.9	Very high	98.4	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.006	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	135.1	168	-174.5	0	0	0	0	108.3	V297 P298 V299 A300 L387 F397 L401 W446 V447	V297-V385 HydrophobicContact CG1-CG2 3.93Å; P298-V385 PolarHBondContact O-N 2.86Å; V299-V385 WeakPolarHBondContact CA-O 3.45Å; V299-V385 HydrophobicContact CG1-CB 4.4Å; V299-V385 HydrophobicContact CG2-CB 4.16Å; V299-V385 HydrophobicContact CG2-CG2 4.42Å; A300-V385 PolarHBondContact N-O 2.83Å; V385-L387 HydrophobicContact CG1-CD2 3.88Å; V385-L387 HydrophobicContact CG1-CG 4.11Å; V385-F397 HydrophobicContact CG1-CE1 3.9Å; V385-F397 HydrophobicContact CG1-CZ 3.84Å; V385-L401 HydrophobicContact CG1-CD1 4.3Å; V385-L401 HydrophobicContact CG2-CD1 3.86Å; V385-W446 CarbonylContact C-O 3.58Å; V385-W446 WeakPolarHBondContact CA-O 3.45Å; V385-V447 HydrophobicContact CG2-CG2 4.36Å
386	V	98.9	Very high	98.4	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	121	-179.2	-172.8	0	0	0	0	109	A300 I302 Y367 L371 G445 W446	A300-V386 WeakPolarHBondContact O-CA 3.44Å; I302-V386 HydrophobicContact CG1-CG1 4.05Å; Y367-V386 HydrophobicContact CE1-CG1 3.85Å; L371-V386 HydrophobicContact CD2-CG2 3.62Å; V386-G445 WeakPolarHBondContact O-CA 3.34Å; V386-W446 HydrophobicContact CB-CD2 4.25Å; V386-W446 HydrophobicContact CB-CG 4.49Å; V386-W446 HydrophobicContact CB-CZ2 3.99Å; V386-W446 HydrophobicContact CG1-CZ2 4.07Å; V386-W446 HydrophobicContact CG2-CD2 4.46Å; V386-W446 HydrophobicContact CG2-CH2 4.31Å; V386-W446 HydrophobicContact CG2-CZ2 3.9Å; V386-W446 PolarHBondContact N-O 2.86Å; V386-W446 PolarHBondContact O-N 2.83Å; V386-W446 VanDerWaalsContact O-N 3.13Å
387	L	98.9	Very high	98.4	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	141.5	-177.6	-54.6	179.8	0	0	0	110.3	V299 A300 V301 I302 M313 L317 V385 I393 F397	V299-L387 HydrophobicContact CG1-CD1 3.67Å; V299-L387 HydrophobicContact CG1-CG 4.1Å; A300-L387 PolarHBondContact O-N 3.29Å; V301-L387 CarbonylContact C-O 3.33Å; V301-L387 WeakPolarHBondContact CA-O 3.44Å; I302-L387 PolarHBondContact N-O 3.3Å; M313-L387 HydrophobicContact CE-CB 3.64Å; M313-L387 HydrophobicContact CE-CD1 4.32Å; L317-L387 HydrophobicContact CD1-CD1 3.71Å; L317-L387 HydrophobicContact CD2-CD1 4Å; L317-L387 HydrophobicContact CG-CD1 4.45Å; V385-L387 HydrophobicContact CG1-CD2 3.88Å; V385-L387 HydrophobicContact CG1-CG 4.11Å; L387-I393 HydrophobicContact CD1-CD1 4.05Å; L387-I393 HydrophobicContact CD1-CG1 4.38Å; L387-I393 HydrophobicContact CD2-CD1 4Å; L387-F397 HydrophobicContact CD2-CE1 4.37Å; L387-F397 HydrophobicContact CD2-CE2 4.26Å; L387-F397 HydrophobicContact CD2-CZ 3.72Å
388	E	98.9	Very high	98.5	Very high	43 Å²	43	24 Å²	24	20%	0.201	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	152.5	171.7	-63.9	-176	145.7	0	0	110.7	M313 Y367 D390 L391	M313-E388 WeakPolarHBondContact CE-O 3.3Å; Y367-E388 WeakPolarHBondContact OH-CG 3.3Å; Y367-E388 PolarHBondContact OH-OE1 3.47Å; E388-D390 WeakPolarHBondContact CB-OD1 3.23Å; E388-D390 PolarHBondContact O-N 3.45Å; E388-D390 VanDerWaalsContact O-N 3.15Å; E388-L391 HydrophobicContact CB-CD1 4.28Å; E388-L391 HydrophobicContact CB-CG 4.29Å; E388-L391 PolarHBondContact O-N 2.79Å
389	E	98.6	Very high	98.5	Very high	4 Å²	4	22.2 Å²	22.2	2%	0.019	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-9.9	-176.6	72.1	-177.2	155.6	0	0	115.3	I302 A303 G304 R306 Y309 L310 M313	I302-E389 PolarHBondContact O-N 3.43Å; I302-E389 VanDerWaalsContact O-N 3.15Å; A303-E389 HydrophobicContact CB-CB 4.19Å; G304-E389 PolarHBondContact N-OE1 2.86Å; G304-E389 PolarHBondContact N-OE2 2.84Å; R306-E389 IonicContact CZ-OE1 3.81Å; R306-E389 IonicContact NE-OE1 3.9Å; R306-E389 PolarHBondContact NE-OE1 3.35Å; R306-E389 VanDerWaalsContact NH2-CG 3.33Å; R306-E389 IonicContact NH2-OE1 2.81Å; R306-E389 PolarHBondContact NH2-OE1 3.13Å; Y309-E389 CarbonylContact C-O 3.56Å; Y309-E389 VanDerWaalsContact O-O 3.05Å; L310-E389 HydrophobicContact CB-CB 4.17Å; L310-E389 HydrophobicContact CD1-CB 4.07Å; L310-E389 PolarHBondContact N-O 3.25Å; M313-E389 WeakPolarHBondContact CB-O 3.28Å
390	D	98.3	Very high	98.6	Very high	10 Å²	10	18.2 Å²	18.2	5%	0.053	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	24.3	-176.9	47.2	5.8	0	0	0	114	R306 Y309 E388 H495 F496	R306-D390 IonicContact CZ-OD2 3.69Å; R306-D390 VanDerWaalsContact CZ-OD2 3.23Å; R306-D390 IonicContact NH1-OD2 2.9Å; R306-D390 PolarHBondContact NH1-OD2 2.8Å; R306-D390 IonicContact NH2-OD1 3.1Å; R306-D390 IonicContact NH2-OD2 2.9Å; R306-D390 PolarHBondContact NH2-OD2 3.31Å; Y309-D390 HydrophobicContact CD2-CB 3.94Å; E388-D390 WeakPolarHBondContact CB-OD1 3.23Å; E388-D390 PolarHBondContact O-N 3.45Å; E388-D390 VanDerWaalsContact O-N 3.15Å; D390-H495 WeakPolarHBondContact O-CA 3.27Å; D390-H495 IonicContact OD2-NE2 3.91Å; D390-F496 HydrophobicContact CB-CE2 4.2Å; D390-F496 WeakPolarHBondContact O-CD1 3.34Å; D390-F496 PolarHBondContact O-N 3.14Å
391	L	98.8	Very high	98.7	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	133.1	175.8	-57.8	178.4	0	0	0	111.9	M313 E388 I393 L444 Y494 H495 F496	M313-L391 WeakPolarHBondContact CA-O 3.46Å; M313-L391 VanDerWaalsContact CB-O 3.24Å; M313-L391 WeakPolarHBondContact CB-O 3.49Å; M313-L391 WeakPolarHBondContact CG-O 3.47Å; E388-L391 HydrophobicContact CB-CD1 4.28Å; E388-L391 HydrophobicContact CB-CG 4.29Å; E388-L391 PolarHBondContact O-N 2.79Å; L391-I393 HydrophobicContact CB-CD1 4.04Å; L391-L444 HydrophobicContact CD2-CB 4.36Å; L391-L444 HydrophobicContact CD2-CD2 3.89Å; L391-Y494 CarbonylContact C-O 3.54Å; L391-Y494 WeakPolarHBondContact CA-O 3.28Å; L391-H495 HydrophobicContact CD2-CB 4.05Å; L391-F496 WeakPolarHBondContact O-CE1 3.45Å
392	D	98.8	Very high	98.7	Very high	27 Å²	27	10.3 Å²	10.3	14%	0.144	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	135.1	155.6	-69.9	-41.8	0	0	0	108.5	R312 S493 Y494 F496 F517	R312-D392 WeakPolarHBondContact CG-OD1 2.99Å; R312-D392 IonicContact CZ-OD1 3.58Å; R312-D392 IonicContact CZ-OD2 2.67Å; R312-D392 IonicContact NE-OD1 3.47Å; R312-D392 PolarHBondContact NE-OD1 3.3Å; R312-D392 IonicContact NE-OD2 2.76Å; R312-D392 PolarHBondContact NE-OD2 3.2Å; R312-D392 IonicContact NH2-OD1 3.6Å; R312-D392 IonicContact NH2-OD2 3.27Å; R312-D392 PolarHBondContact NH2-OD2 3.17Å; D392-S493 CarbonylContact O-C 3.56Å; D392-S493 VanDerWaalsContact O-CA 3.29Å; D392-S493 WeakPolarHBondContact O-CA 3.21Å; D392-Y494 PolarHBondContact N-O 3.23Å; D392-Y494 PolarHBondContact O-N 2.92Å; D392-F496 HydrophobicContact CB-CD1 4.37Å; D392-F496 WeakPolarHBondContact OD1-CE1 3.36Å; D392-F517 HydrophobicContact CB-CZ 4.19Å
393	I	98.8	Very high	98.7	Very high	7 Å²	7	10.2 Å²	10.2	4%	0.036	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	127.6	-178.7	-53.5	-55.9	0	0	0	109.5	S316 L317 A320 L387 L391 F397	S316-I393 PolarHBondContact OG-N 3.3Å; L317-I393 HydrophobicContact CB-CG1 4.15Å; L317-I393 HydrophobicContact CD1-CG1 4.38Å; L317-I393 HydrophobicContact CD1-CG2 4.39Å; A320-I393 HydrophobicContact CB-CG2 4.37Å; L387-I393 HydrophobicContact CD1-CD1 4.05Å; L387-I393 HydrophobicContact CD1-CG1 4.38Å; L387-I393 HydrophobicContact CD2-CD1 4Å; L391-I393 HydrophobicContact CB-CD1 4.04Å; I393-F397 HydrophobicContact CG2-CB 3.55Å; I393-F397 HydrophobicContact CG2-CD1 4.03Å; I393-F397 HydrophobicContact CG2-CD2 3.97Å; I393-F397 HydrophobicContact CG2-CG 3.59Å
394	S	98.8	Very high	98.7	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.049	C	C	.	.	P	Polyproline II helix	trans	-66	148.3	-179.9	-175.5	0	0	0	0	111.9	D396 F397 R492 F517 N518	S394-D396 PolarHBondContact O-N 3.35Å; S394-D396 PolarHBondContact OG-OD1 3.11Å; S394-F397 WeakPolarHBondContact O-CB 3.46Å; S394-F397 PolarHBondContact O-N 2.96Å; S394-R492 WeakPolarHBondContact CB-O 3.44Å; S394-R492 PolarHBondContact N-O 3.14Å; S394-F517 VanDerWaalsContact CA-CZ 3.46Å; S394-N518 WeakPolarHBondContact CB-O 3.47Å; S394-N518 PolarHBondContact OG-O 2.84Å
395	V	98.4	Very high	98.7	Very high	40 Å²	40	9.8 Å²	9.8	24%	0.242	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-30	179.5	63.2	0	0	0	0	113	H321 P521	H321-V395 WeakPolarHBondContact CB-O 3.23Å; H321-V395 PolarHBondContact N-O 2.95Å; H321-V395 WeakPolarHBondContact NE2-CG2 3.38Å; V395-P521 HydrophobicContact CG1-CB 4.1Å; V395-P521 HydrophobicContact CG2-CB 4.25Å
396	D	98.5	Very high	98.7	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	11.7	178.6	81.4	-33.3	0	0	0	113.8	S394 F398 S399 F400 R492 N518	S394-D396 PolarHBondContact O-N 3.35Å; S394-D396 PolarHBondContact OG-OD1 3.11Å; D396-F398 PolarHBondContact O-N 3.42Å; D396-S399 WeakPolarHBondContact O-CA 3.36Å; D396-S399 VanDerWaalsContact O-CB 3.26Å; D396-S399 WeakPolarHBondContact O-CB 3.45Å; D396-S399 PolarHBondContact O-N 3.3Å; D396-F400 PolarHBondContact O-N 2.72Å; D396-R492 VanDerWaalsContact CG-NE 3.28Å; D396-R492 WeakPolarHBondContact OD1-CD 3.43Å; D396-R492 IonicContact OD1-CZ 3.69Å; D396-R492 IonicContact OD1-NE 2.89Å; D396-R492 PolarHBondContact OD1-NE 2.95Å; D396-R492 IonicContact OD2-CZ 3.94Å; D396-R492 IonicContact OD2-NE 3.62Å; D396-R492 PolarHBondContact OD2-NE 2.98Å; D396-R492 IonicContact OD2-NH2 3.97Å; D396-R492 PolarHBondContact OD2-NH2 3.39Å; D396-N518 PolarHBondContact OD1-ND2 3.17Å; D396-N518 PolarHBondContact OD2-ND2 3.26Å
397	F	98.9	Very high	98.7	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-52	-49.8	-174.5	178.7	-90.9	0	0	0	113.1	V385 L387 I393 S394 S399 F400 L401 A419 R492	V385-F397 HydrophobicContact CG1-CE1 3.9Å; V385-F397 HydrophobicContact CG1-CZ 3.84Å; L387-F397 HydrophobicContact CD2-CE1 4.37Å; L387-F397 HydrophobicContact CD2-CE2 4.26Å; L387-F397 HydrophobicContact CD2-CZ 3.72Å; I393-F397 HydrophobicContact CG2-CB 3.55Å; I393-F397 HydrophobicContact CG2-CD1 4.03Å; I393-F397 HydrophobicContact CG2-CD2 3.97Å; I393-F397 HydrophobicContact CG2-CG 3.59Å; S394-F397 WeakPolarHBondContact O-CB 3.46Å; S394-F397 PolarHBondContact O-N 2.96Å; F397-S399 VanDerWaalsContact C-N 3.35Å; F397-F400 WeakPolarHBondContact O-CB 3.31Å; F397-F400 PolarHBondContact O-N 3.26Å; F397-L401 HydrophobicContact CD1-CD1 4.06Å; F397-L401 HydrophobicContact CE1-CD1 3.38Å; F397-L401 HydrophobicContact CE1-CG 4.22Å; F397-L401 HydrophobicContact CZ-CD1 3.72Å; F397-L401 HydrophobicContact CZ-CG 4.43Å; F397-L401 WeakPolarHBondContact O-CG 3.49Å; F397-L401 PolarHBondContact O-N 3.3Å; F397-L401 VanDerWaalsContact O-N 3.07Å; F397-A419 HydrophobicContact CD2-CB 4.08Å; F397-A419 HydrophobicContact CE2-CB 3.65Å; F397-R492 HydrophobicContact CD2-CB 4.09Å
398	F	98.6	Very high	98.6	Very high	8 Å²	8	12 Å²	12	4%	0.035	6%	0.062	C	C	.	.	H	α-helix	trans	-74	-24.4	177.7	-62.3	-75.9	0	0	0	113	L289 V294 V299 L317 A320 H321 V323 D396 S402	L289-F398 HydrophobicContact CD1-CB 3.86Å; V294-F398 HydrophobicContact CG2-CB 4.21Å; V294-F398 HydrophobicContact CG2-CD1 4.08Å; V299-F398 HydrophobicContact CG2-CE1 4.17Å; V299-F398 HydrophobicContact CG2-CZ 4.4Å; L317-F398 HydrophobicContact CD1-CE2 3.97Å; L317-F398 HydrophobicContact CD1-CZ 3.77Å; A320-F398 HydrophobicContact CB-CD2 4Å; A320-F398 HydrophobicContact CB-CE2 4.05Å; H321-F398 WeakPolarHBondContact O-CB 3.4Å; V323-F398 HydrophobicContact CB-CD2 4.01Å; V323-F398 HydrophobicContact CB-CE2 3.53Å; V323-F398 HydrophobicContact CB-CZ 4.25Å; V323-F398 HydrophobicContact CG2-CE2 3.63Å; V323-F398 HydrophobicContact CG2-CZ 3.91Å; D396-F398 PolarHBondContact O-N 3.42Å; F398-S402 WeakPolarHBondContact O-CB 3.44Å; F398-S402 PolarHBondContact O-N 3.34Å
399	S	98.6	Very high	98.5	Very high	8 Å²	8	14.6 Å²	14.6	6%	0.056	8%	0.077	C	C	.	.	H	α-helix	trans	-65.4	-44.8	170.8	-178.3	0	0	0	0	110.6	D396 F397 S402 Q403	D396-S399 WeakPolarHBondContact O-CA 3.36Å; D396-S399 VanDerWaalsContact O-CB 3.26Å; D396-S399 WeakPolarHBondContact O-CB 3.45Å; D396-S399 PolarHBondContact O-N 3.3Å; F397-S399 VanDerWaalsContact C-N 3.35Å; S399-S402 PolarHBondContact O-N 3.16Å; S399-Q403 WeakPolarHBondContact O-CG 3.34Å; S399-Q403 PolarHBondContact O-N 3.1Å; S399-Q403 VanDerWaalsContact O-N 3.12Å; S399-Q403 PolarHBondContact O-NE2 2.91Å; S399-Q403 PolarHBondContact OG-NE2 3.25Å; S399-Q403 VanDerWaalsContact OG-NE2 3.11Å
400	F	98.8	Very high	98.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-59.1	-48.6	175	157	-108.4	0	0	0	111.5	D396 F397 Q403 T404 I417 L435 P488 R492 L525	D396-F400 PolarHBondContact O-N 2.72Å; F397-F400 WeakPolarHBondContact O-CB 3.31Å; F397-F400 PolarHBondContact O-N 3.26Å; F400-Q403 PolarHBondContact O-N 3.06Å; F400-T404 HydrophobicContact CD2-CG2 4.27Å; F400-T404 HydrophobicContact CE2-CG2 4.08Å; F400-T404 WeakPolarHBondContact O-CG2 3.19Å; F400-T404 PolarHBondContact O-N 2.85Å; F400-T404 PolarHBondContact O-OG1 2.64Å; F400-I417 HydrophobicContact CE1-CG2 3.85Å; F400-I417 HydrophobicContact CE2-CG2 4.47Å; F400-I417 HydrophobicContact CZ-CG2 3.53Å; F400-L435 HydrophobicContact CD2-CD2 4.16Å; F400-L435 HydrophobicContact CE2-CD2 3.66Å; F400-P488 HydrophobicContact CE2-CB 4.34Å; F400-P488 HydrophobicContact CZ-CG 4.48Å; F400-R492 HydrophobicContact CB-CG 4.26Å; F400-R492 HydrophobicContact CD1-CG 4.15Å; F400-R492 HydrophobicContact CG-CG 4.15Å; F400-L525 HydrophobicContact CD2-CD1 3.83Å
401	L	98.8	Very high	98.4	Very high	2 Å²	2	20 Å²	20	1%	0.01	10%	0.103	C	C	.	.	H	α-helix	trans	-66.8	-42.8	178.1	-65.4	-173.6	0	0	0	112.2	V294 V385 F397 Q403 T404 I405 I417 V447	V294-L401 HydrophobicContact CG1-CB 4.03Å; V294-L401 HydrophobicContact CG2-CB 4.25Å; V385-L401 HydrophobicContact CG1-CD1 4.3Å; V385-L401 HydrophobicContact CG2-CD1 3.86Å; F397-L401 HydrophobicContact CD1-CD1 4.06Å; F397-L401 HydrophobicContact CE1-CD1 3.38Å; F397-L401 HydrophobicContact CE1-CG 4.22Å; F397-L401 HydrophobicContact CZ-CD1 3.72Å; F397-L401 HydrophobicContact CZ-CG 4.43Å; F397-L401 WeakPolarHBondContact O-CG 3.49Å; F397-L401 PolarHBondContact O-N 3.3Å; F397-L401 VanDerWaalsContact O-N 3.07Å; L401-Q403 PolarHBondContact O-N 3Å; L401-T404 PolarHBondContact O-N 2.55Å; L401-T404 PolarHBondContact O-OG1 3.37Å; L401-I405 VanDerWaalsContact O-CB 3.27Å; L401-I405 WeakPolarHBondContact O-CB 3.35Å; L401-I405 PolarHBondContact O-N 2.72Å; L401-I417 HydrophobicContact CD2-CG2 3.89Å; L401-V447 HydrophobicContact CD1-CG2 3.93Å; L401-V447 HydrophobicContact CD2-CG2 3.62Å; L401-V447 HydrophobicContact CG-CG2 4.38Å
402	S	98.6	Very high	98.4	Very high	6 Å²	6	26.3 Å²	26.3	4%	0.042	14%	0.136	C	C	.	.	H	α-helix	trans	-56.6	-37.8	178.2	-174.1	0	0	0	0	112.2	S291 N293 F398 S399	S291-S402 PolarHBondContact O-OG 2.87Å; N293-S402 PolarHBondContact N-OG 3.45Å; N293-S402 PolarHBondContact ND2-O 2.88Å; F398-S402 WeakPolarHBondContact O-CB 3.44Å; F398-S402 PolarHBondContact O-N 3.34Å; S399-S402 PolarHBondContact O-N 3.16Å
403	Q	98.6	Very high	98.4	Very high	39 Å²	39	26 Å²	26	18%	0.182	14%	0.137	C	C	.	.	H	α-helix	trans	-78.1	-19.1	179.1	-72.5	175.1	74.1	0	0	114	S399 F400 L401 H406 V523 L525 V528	S399-Q403 WeakPolarHBondContact O-CG 3.34Å; S399-Q403 PolarHBondContact O-N 3.1Å; S399-Q403 VanDerWaalsContact O-N 3.12Å; S399-Q403 PolarHBondContact O-NE2 2.91Å; S399-Q403 PolarHBondContact OG-NE2 3.25Å; S399-Q403 VanDerWaalsContact OG-NE2 3.11Å; F400-Q403 PolarHBondContact O-N 3.06Å; L401-Q403 PolarHBondContact O-N 3Å; Q403-H406 PolarHBondContact O-CE1 3.47Å; Q403-H406 PolarHBondContact O-ND1 3.06Å; Q403-V523 PolarHBondContact NE2-O 2.77Å; Q403-L525 HydrophobicContact CB-CD1 3.72Å; Q403-L525 HydrophobicContact CB-CG 4.38Å; Q403-V528 WeakPolarHBondContact O-CG1 3.3Å
404	T	98.7	Very high	98.4	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-116.9	-19.7	-171	53.3	0	0	0	0	114.3	F400 L401 H406 L407 I417 L435 L525 V528	F400-T404 HydrophobicContact CD2-CG2 4.27Å; F400-T404 HydrophobicContact CE2-CG2 4.08Å; F400-T404 WeakPolarHBondContact O-CG2 3.19Å; F400-T404 PolarHBondContact O-N 2.85Å; F400-T404 PolarHBondContact O-OG1 2.64Å; L401-T404 PolarHBondContact O-N 2.55Å; L401-T404 PolarHBondContact O-OG1 3.37Å; T404-H406 PolarHBondContact O-N 2.93Å; T404-H406 VanDerWaalsContact O-N 3.13Å; T404-L407 VanDerWaalsContact O-CB 3.29Å; T404-L407 WeakPolarHBondContact O-CB 3.22Å; T404-L407 WeakPolarHBondContact O-CG 3.49Å; T404-L407 PolarHBondContact O-N 2.84Å; T404-I417 WeakPolarHBondContact O-CD1 3.47Å; T404-L435 HydrophobicContact CG2-CD1 3.74Å; T404-L525 HydrophobicContact CG2-CD1 3.56Å; T404-V528 HydrophobicContact CG2-CG1 4.23Å
405	I	98.5	Very high	98.4	Very high	9 Å²	9	26.1 Å²	26.1	5%	0.046	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-35.3	-171.2	-170.2	64.9	0	0	0	113.5	N293 V294 F383 L401 L407 L408 V447	N293-I405 HydrophobicContact CB-CG2 3.85Å; V294-I405 HydrophobicContact CG1-CB 3.92Å; V294-I405 HydrophobicContact CG1-CG1 4.07Å; V294-I405 HydrophobicContact CG1-CG2 3.89Å; F383-I405 HydrophobicContact CB-CD1 4.34Å; F383-I405 HydrophobicContact CD1-CD1 4.06Å; F383-I405 HydrophobicContact CD2-CD1 3.99Å; F383-I405 HydrophobicContact CD2-CG1 3.98Å; F383-I405 HydrophobicContact CE1-CD1 4.36Å; F383-I405 HydrophobicContact CE2-CD1 4.28Å; F383-I405 HydrophobicContact CE2-CG1 4.03Å; F383-I405 HydrophobicContact CG-CD1 3.86Å; F383-I405 HydrophobicContact CG-CG1 4.38Å; F383-I405 HydrophobicContact CZ-CD1 4.45Å; F383-I405 HydrophobicContact CZ-CG1 4.45Å; L401-I405 VanDerWaalsContact O-CB 3.27Å; L401-I405 WeakPolarHBondContact O-CB 3.35Å; L401-I405 PolarHBondContact O-N 2.72Å; I405-L407 PolarHBondContact O-N 3.12Å; I405-L408 HydrophobicContact CD1-CD1 4.25Å; I405-L408 PolarHBondContact O-N 2.8Å; I405-L408 VanDerWaalsContact O-N 3.15Å; I405-V447 HydrophobicContact CD1-CB 4.45Å; I405-V447 HydrophobicContact CD1-CG1 3.6Å; I405-V447 HydrophobicContact CD1-CG2 4.46Å
406	H	98.2	Very high	98.4	Very high	44 Å²	44	24.3 Å²	24.3	20%	0.204	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-23.7	-178.8	66.7	-79.5	0	0	0	113	Q403 T404 L408 D409 Q410 E529	Q403-H406 PolarHBondContact O-CE1 3.47Å; Q403-H406 PolarHBondContact O-ND1 3.06Å; T404-H406 PolarHBondContact O-N 2.93Å; T404-H406 VanDerWaalsContact O-N 3.13Å; H406-L408 PolarHBondContact O-N 2.98Å; H406-D409 PolarHBondContact O-N 3.44Å; H406-D409 VanDerWaalsContact O-N 3.14Å; H406-Q410 WeakPolarHBondContact O-CG 3.44Å; H406-Q410 PolarHBondContact O-N 2.78Å; H406-Q410 VanDerWaalsContact O-N 3.17Å; H406-E529 IonicContact CD2-OE1 3.52Å; H406-E529 IonicContact CE1-OE1 3.38Å; H406-E529 IonicContact NE2-OE1 2.76Å; H406-E529 PolarHBondContact NE2-OE1 3.04Å
407	L	98.7	Very high	98.5	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-61.3	-35	177	-63.9	176	0	0	0	111.6	T404 I405 D409 Q410 D411 L414 I486 V528 L531 R532	T404-L407 VanDerWaalsContact O-CB 3.29Å; T404-L407 WeakPolarHBondContact O-CB 3.22Å; T404-L407 WeakPolarHBondContact O-CG 3.49Å; T404-L407 PolarHBondContact O-N 2.84Å; I405-L407 PolarHBondContact O-N 3.12Å; L407-D409 PolarHBondContact O-N 2.76Å; L407-Q410 PolarHBondContact O-N 3.16Å; L407-D411 PolarHBondContact O-N 3.33Å; L407-L414 HydrophobicContact CB-CD1 3.76Å; L407-I486 HydrophobicContact CD1-CG1 4.38Å; L407-V528 HydrophobicContact CD1-CG1 3.78Å; L407-V528 HydrophobicContact CD2-CG1 4.42Å; L407-V528 HydrophobicContact CG-CG1 4.2Å; L407-L531 HydrophobicContact CD1-CB 3.94Å; L407-L531 HydrophobicContact CD1-CD1 4.08Å; L407-R532 HydrophobicContact CD2-CG 4.04Å
408	L	98.4	Very high	98.5	Very high	4 Å²	4	24.3 Å²	24.3	2%	0.021	13%	0.126	C	C	.	.	H	α-helix	trans	-67.5	-21.3	178.3	-69.5	179.6	0	0	0	113.3	F383 I405 H406 L414 I417 V447 K449	F383-L408 HydrophobicContact CD1-CD1 4.12Å; F383-L408 HydrophobicContact CE1-CB 3.62Å; F383-L408 HydrophobicContact CE1-CD1 3.94Å; F383-L408 HydrophobicContact CE1-CG 4.44Å; F383-L408 HydrophobicContact CZ-CB 4.08Å; I405-L408 HydrophobicContact CD1-CD1 4.25Å; I405-L408 PolarHBondContact O-N 2.8Å; I405-L408 VanDerWaalsContact O-N 3.15Å; H406-L408 PolarHBondContact O-N 2.98Å; L408-L414 HydrophobicContact CD2-CB 3.72Å; L408-L414 HydrophobicContact CD2-CD1 4.41Å; L408-I417 HydrophobicContact CD1-CD1 3.83Å; L408-I417 HydrophobicContact CD1-CG1 3.95Å; L408-I417 HydrophobicContact CD2-CG1 4.16Å; L408-I417 HydrophobicContact CG-CD1 3.75Å; L408-I417 HydrophobicContact CG-CG1 3.88Å; L408-V447 HydrophobicContact CD1-CB 4.25Å; L408-V447 HydrophobicContact CD1-CG1 3.99Å; L408-K449 PolarHBondContact O-NZ 3.3Å
409	D	95.9	Very high	98.5	Very high	98 Å²	98	24 Å²	24	52%	0.524	12%	0.124	S	C	.	.	H	α-helix	trans	-90.2	-25.1	173.3	-80.1	-27.5	0	0	0	113.2	F383 H406 L407 K449	F383-D409 WeakPolarHBondContact CE2-OD2 3.33Å; F383-D409 VanDerWaalsContact CZ-CG 3.46Å; F383-D409 WeakPolarHBondContact CZ-OD1 3.17Å; F383-D409 WeakPolarHBondContact CZ-OD2 3.14Å; H406-D409 PolarHBondContact O-N 3.44Å; H406-D409 VanDerWaalsContact O-N 3.14Å; L407-D409 PolarHBondContact O-N 2.76Å; D409-K449 VanDerWaalsContact OD1-CE 3.31Å; D409-K449 WeakPolarHBondContact OD1-CE 3.13Å; D409-K449 IonicContact OD1-NZ 2.83Å; D409-K449 PolarHBondContact OD1-NZ 2.73Å
410	Q	97.8	Very high	98.5	Very high	110 Å²	110	23.7 Å²	23.7	51%	0.514	12%	0.122	S	C	.	.	H	α-helix	trans	-95.8	-16.6	-175.3	-65.3	178.3	13.8	0	0	113.8	H406 L407	H406-Q410 WeakPolarHBondContact O-CG 3.44Å; H406-Q410 PolarHBondContact O-N 2.78Å; H406-Q410 VanDerWaalsContact O-N 3.17Å; L407-Q410 PolarHBondContact O-N 3.16Å
411	D	98.4	Very high	98.5	Very high	18 Å²	18	24 Å²	24	10%	0.096	12%	0.124	C	C	.	.			trans	-135.4	100.1	-176.5	-172.9	-5.7	0	0	0	112.1	L407 S413 L414 R437 R532 K533	L407-D411 PolarHBondContact O-N 3.33Å; D411-S413 PolarHBondContact O-N 2.87Å; D411-S413 VanDerWaalsContact O-N 3.12Å; D411-S413 VanDerWaalsContact OD1-CB 3.25Å; D411-S413 WeakPolarHBondContact OD1-CB 3.16Å; D411-S413 PolarHBondContact OD1-N 2.86Å; D411-S413 PolarHBondContact OD1-OG 2.76Å; D411-S413 PolarHBondContact OD2-OG 2.84Å; D411-L414 HydrophobicContact CB-CD1 4.13Å; D411-L414 HydrophobicContact CB-CG 4.22Å; D411-L414 WeakPolarHBondContact O-CB 3.41Å; D411-L414 PolarHBondContact O-N 3.26Å; D411-R437 IonicContact OD2-CZ 3.14Å; D411-R437 IonicContact OD2-NH1 3.77Å; D411-R437 PolarHBondContact OD2-NH1 3.2Å; D411-R532 HydrophobicContact CB-CG 4.46Å; D411-R532 WeakPolarHBondContact OD2-CA 3.39Å; D411-K533 PolarHBondContact OD2-N 3.09Å
412	D	98.1	Very high	98.5	Very high	132 Å²	132	24 Å²	24	71%	0.706	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-10.1	178.3	-69.8	-33.5	0	0	0	114
413	S	98.6	Very high	98.5	Very high	22 Å²	22	24 Å²	24	15%	0.154	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-6.7	172.1	76.7	0	0	0	0	113.3	D411 R437 R483 E484	D411-S413 PolarHBondContact O-N 2.87Å; D411-S413 VanDerWaalsContact O-N 3.12Å; D411-S413 VanDerWaalsContact OD1-CB 3.25Å; D411-S413 WeakPolarHBondContact OD1-CB 3.16Å; D411-S413 PolarHBondContact OD1-N 2.86Å; D411-S413 PolarHBondContact OD1-OG 2.76Å; D411-S413 PolarHBondContact OD2-OG 2.84Å; S413-R437 PolarHBondContact OG-NH2 3.34Å; S413-R483 WeakPolarHBondContact O-CA 3.4Å; S413-R483 VanDerWaalsContact O-CB 3.23Å; S413-R483 WeakPolarHBondContact O-CB 3.31Å; S413-E484 PolarHBondContact O-N 2.9Å
414	L	98.9	Very high	98.5	Very high	5 Å²	5	22.2 Å²	22.2	3%	0.026	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	138.7	172.8	-66.9	176.4	0	0	0	111.8	L407 L408 D411 R437 E484 I486	L407-L414 HydrophobicContact CB-CD1 3.76Å; L408-L414 HydrophobicContact CD2-CB 3.72Å; L408-L414 HydrophobicContact CD2-CD1 4.41Å; D411-L414 HydrophobicContact CB-CD1 4.13Å; D411-L414 HydrophobicContact CB-CG 4.22Å; D411-L414 WeakPolarHBondContact O-CB 3.41Å; D411-L414 PolarHBondContact O-N 3.26Å; L414-R437 VanDerWaalsContact CD2-NH1 3.26Å; L414-E484 CarbonylContact C-O 3.57Å; L414-E484 VanDerWaalsContact CA-O 3.29Å; L414-E484 WeakPolarHBondContact CA-O 3.33Å; L414-I486 HydrophobicContact CD1-CD1 4.16Å; L414-I486 HydrophobicContact CD1-CG1 3.96Å; L414-I486 HydrophobicContact CD2-CD1 3.52Å; L414-I486 HydrophobicContact CD2-CG1 3.86Å
415	Y	98.8	Very high	98.5	Very high	4 Å²	4	22.4 Å²	22.4	2%	0.016	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	-40.7	179.2	-165.5	-130	0	0	0	111.8	M441 I452 M474 R480 R483 E484	Y415-M441 HydrophobicContact CD1-CB 4.06Å; Y415-M441 HydrophobicContact CD1-CG 3.95Å; Y415-M441 HydrophobicContact CE1-CB 3.99Å; Y415-M441 HydrophobicContact CE1-CG 3.84Å; Y415-I452 HydrophobicContact CD2-CD1 4.26Å; Y415-I452 HydrophobicContact CD2-CG2 4.35Å; Y415-I452 HydrophobicContact CE2-CG2 3.85Å; Y415-M474 HydrophobicContact CE1-CE 4.01Å; Y415-M474 PolarHBondContact OH-O 2.66Å; Y415-R480 HydrophobicContact CD1-CG 4.24Å; Y415-R480 HydrophobicContact CE1-CG 4.5Å; Y415-R480 HydrophobicContact CG-CG 4.45Å; Y415-R483 HydrophobicContact CD2-CB 4.42Å; Y415-R483 HydrophobicContact CG-CB 4.38Å; Y415-E484 PolarHBondContact N-O 2.77Å
416	C	98.8	Very high	98.5	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.007	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	169.9	-178.6	77.3	0	0	0	0	112.4	W446 V447 C485 I486	C416-W446 HydrophobicContact CB-CE3 4.39Å; C416-V447 WeakPolarHBondContact CB-O 3.32Å; C416-C485 VanDerWaalsContact CA-SG 3.56Å; C416-C485 HydrophobicContact CB-CB 4.24Å; C416-C485 WeakPolarHBondContact CB-SG 3.37Å; C416-C485 PolarHBondContact N-SG 3.21Å; C416-C485 CarbonylContact O-C 3.58Å; C416-C485 WeakPolarHBondContact O-CA 3.35Å; C416-C485 WeakPolarHBondContact O-CB 3.38Å; C416-C485 WeakPolarHBondContact SG-CB 3.25Å; C416-C485 CovalentContact SG-SG 2.03Å; C416-C485 PolarHBondContact SG-SG 3.27Å; C416-I486 PolarHBondContact O-N 3.35Å
417	I	98.9	Very high	98.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	128.8	161.1	-62.7	166	0	0	0	105.8	F400 L401 T404 L408 W446 V447 I486	F400-I417 HydrophobicContact CE1-CG2 3.85Å; F400-I417 HydrophobicContact CE2-CG2 4.47Å; F400-I417 HydrophobicContact CZ-CG2 3.53Å; L401-I417 HydrophobicContact CD2-CG2 3.89Å; T404-I417 WeakPolarHBondContact O-CD1 3.47Å; L408-I417 HydrophobicContact CD1-CD1 3.83Å; L408-I417 HydrophobicContact CD1-CG1 3.95Å; L408-I417 HydrophobicContact CD2-CG1 4.16Å; L408-I417 HydrophobicContact CG-CD1 3.75Å; L408-I417 HydrophobicContact CG-CG1 3.88Å; I417-W446 CarbonylContact O-C 3.55Å; I417-W446 WeakPolarHBondContact O-CA 3.39Å; I417-W446 WeakPolarHBondContact O-CB 3.23Å; I417-V447 HydrophobicContact CB-CB 4.37Å; I417-V447 HydrophobicContact CB-CG2 4.37Å; I417-V447 PolarHBondContact O-N 3.4Å; I417-I486 HydrophobicContact CG1-CB 4.15Å; I417-I486 HydrophobicContact CG1-CG1 4.4Å; I417-I486 HydrophobicContact CG2-CB 4.46Å
418	S	98.9	Very high	98.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	145.6	177.1	170.1	0	0	0	0	110.4	W420 G443 I486 P488	S418-W420 VanDerWaalsContact C-N 3.25Å; S418-W420 PolarHBondContact OG-N 3.04Å; S418-W420 VanDerWaalsContact OG-N 3.12Å; S418-G443 PolarHBondContact OG-O 3.49Å; S418-I486 PolarHBondContact N-O 2.81Å; S418-P488 WeakPolarHBondContact O-CD 3.34Å
419	A	98.9	Very high	98.5	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.008	15%	0.148	C	C	.	.	S	Bend	trans	-81.5	-2.5	174.7	0	0	0	0	0	113.2	F397 G445 S491 R492	F397-A419 HydrophobicContact CD2-CB 4.08Å; F397-A419 HydrophobicContact CE2-CB 3.65Å; A419-G445 WeakPolarHBondContact CB-O 3.45Å; A419-G445 PolarHBondContact N-O 2.93Å; A419-S491 CarbonylContact O-C 3.59Å; A419-S491 VanDerWaalsContact O-CA 3.23Å; A419-S491 WeakPolarHBondContact O-CA 3.5Å; A419-S491 WeakPolarHBondContact O-CB 3.47Å; A419-R492 HydrophobicContact CB-CB 3.86Å; A419-R492 PolarHBondContact O-N 3.29Å
420	W	98.9	Very high	98.6	Very high	3 Å²	3	27.9 Å²	27.9	1%	0.011	14%	0.138	C	C	.	.			trans	-112.9	127.5	-170.7	-176.5	-98.2	0	0	0	112.4	S418 D422 L444 I487 H495 F512 H515	S418-W420 VanDerWaalsContact C-N 3.25Å; S418-W420 PolarHBondContact OG-N 3.04Å; S418-W420 VanDerWaalsContact OG-N 3.12Å; W420-D422 PolarHBondContact NE1-OD1 2.93Å; W420-L444 HydrophobicContact CB-CB 3.82Å; W420-L444 HydrophobicContact CB-CD1 4.5Å; W420-L444 HydrophobicContact CD2-CB 4.18Å; W420-L444 HydrophobicContact CD2-CD1 3.57Å; W420-L444 HydrophobicContact CE3-CB 4.46Å; W420-L444 HydrophobicContact CE3-CD1 4.19Å; W420-L444 HydrophobicContact CG-CB 3.92Å; W420-L444 HydrophobicContact CG-CD1 3.71Å; W420-L444 HydrophobicContact CG-CG 4.44Å; W420-L444 HydrophobicContact CZ2-CD1 4.05Å; W420-I487 VanDerWaalsContact O-CG2 3.29Å; W420-I487 WeakPolarHBondContact O-CG2 3.36Å; W420-H495 HydrophobicContact CH2-CB 4.44Å; W420-F512 AromaticContact CH2-CD1 3.89Å; W420-F512 HydrophobicContact CH2-CD1 3.89Å; W420-F512 HydrophobicContact CH2-CE1 4.29Å; W420-F512 AromaticContact CZ2-CD1 3.88Å; W420-F512 HydrophobicContact CZ2-CD1 3.88Å; W420-F512 AromaticContact CZ2-CE1 3.88Å; W420-F512 HydrophobicContact CZ2-CE1 3.88Å; W420-H515 AromaticContact CE2-CD2 3.92Å; W420-H515 AromaticContact CE2-NE2 3.81Å; W420-H515 HydrophobicContact CH2-CB 3.75Å; W420-H515 AromaticContact CH2-CD2 3.34Å; W420-H515 WeakPolarHBondContact CH2-CD2 3.29Å; W420-H515 AromaticContact CH2-CG 3.36Å; W420-H515 AromaticContact CH2-ND1 3.83Å; W420-H515 AromaticContact CH2-NE2 3.78Å; W420-H515 AromaticContact CZ2-CD2 3.24Å; W420-H515 WeakPolarHBondContact CZ2-CD2 3.43Å; W420-H515 AromaticContact CZ2-CE1 3.55Å; W420-H515 AromaticContact CZ2-CG 3.65Å; W420-H515 AromaticContact CZ2-ND1 3.84Å; W420-H515 AromaticContact CZ2-NE2 3.18Å; W420-H515 WeakPolarHBondContact CZ2-NE2 3.47Å; W420-H515 HydrophobicContact CZ3-CB 4.28Å
421	N	98.9	Very high	98.6	Very high	5 Å²	5	24.2 Å²	24.2	3%	0.027	12%	0.121	C	C	.	.			trans	-103.3	110.3	167.8	-178.6	2.2	0	0	0	110.3	Q423 G424 I487 P488 D489 S491	N421-Q423 PolarHBondContact O-N 2.82Å; N421-Q423 VanDerWaalsContact O-N 3.11Å; N421-Q423 PolarHBondContact OD1-N 3.1Å; N421-G424 WeakPolarHBondContact ND2-CA 3.24Å; N421-G424 PolarHBondContact O-N 2.78Å; N421-G424 PolarHBondContact OD1-N 2.81Å; N421-I487 HydrophobicContact CB-CD1 4.18Å; N421-P488 WeakPolarHBondContact CB-O 3.34Å; N421-D489 PolarHBondContact ND2-O 2.96Å; N421-S491 PolarHBondContact N-OG 2.94Å
422	D	98.7	Very high	98.6	Very high	3 Å²	3	24.7 Å²	24.7	2%	0.016	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-21.6	179.6	-65.7	-75.9	0	0	0	114.4	W420 W595 R600	W420-D422 PolarHBondContact NE1-OD1 2.93Å; D422-W595 WeakPolarHBondContact O-CB 3.4Å; D422-R600 HydrophobicContact CB-CB 3.78Å; D422-R600 HydrophobicContact CB-CG 4.41Å; D422-R600 VanDerWaalsContact OD1-CD 3.25Å; D422-R600 WeakPolarHBondContact OD1-CD 3.18Å; D422-R600 IonicContact OD1-CZ 3.33Å; D422-R600 IonicContact OD1-NE 2.77Å; D422-R600 IonicContact OD1-NH1 3.35Å; D422-R600 PolarHBondContact OD1-NH1 3.45Å
423	Q	98.6	Very high	98.6	Very high	7 Å²	7	19 Å²	19	3%	0.033	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.2	8.9	179.1	-57.3	-62.3	-9.1	0	0	112.3	N421 Y425 T428 V594 W595	N421-Q423 PolarHBondContact O-N 2.82Å; N421-Q423 VanDerWaalsContact O-N 3.11Å; N421-Q423 PolarHBondContact OD1-N 3.1Å; Q423-Y425 PolarHBondContact O-N 3.01Å; Q423-T428 PolarHBondContact O-OG1 2.68Å; Q423-V594 VanDerWaalsContact OE1-CB 3.24Å; Q423-W595 PolarHBondContact NE2-O 3.33Å; Q423-W595 VanDerWaalsContact OE1-N 3.15Å
424	G	98.6	Very high	98.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.095	C	C	.	.			trans	-88.8	70.5	-174.1	0	0	0	0	0	113.2	N421 K516	N421-G424 WeakPolarHBondContact ND2-CA 3.24Å; N421-G424 PolarHBondContact O-N 2.78Å; N421-G424 PolarHBondContact OD1-N 2.81Å; G424-K516 PolarHBondContact O-N 2.76Å
425	Y	98.7	Very high	98.6	Very high	4 Å²	4	19 Å²	19	2%	0.016	10%	0.095	C	C	.	.	B	Isolated β-bridge	trans	-88.1	164	175.9	-68.8	-101.1	0	0	0	111.5	Q423 H427 T428 A429 Y511 K514 H515 V594 W595	Q423-Y425 PolarHBondContact O-N 3.01Å; Y425-H427 PolarHBondContact O-N 2.89Å; Y425-T428 WeakPolarHBondContact CB-OG1 3.13Å; Y425-T428 PolarHBondContact N-OG1 2.69Å; Y425-T428 VanDerWaalsContact N-OG1 3.08Å; Y425-T428 PolarHBondContact O-N 2.72Å; Y425-A429 PolarHBondContact O-N 2.95Å; Y425-Y511 WeakPolarHBondContact CE1-O 3.47Å; Y425-Y511 PolarHBondContact OH-O 3.03Å; Y425-K514 WeakPolarHBondContact CA-O 3.45Å; Y425-K514 HydrophobicContact CD1-CB 4.21Å; Y425-H515 AromaticContact CE1-CE1 3.57Å; Y425-H515 AromaticContact CE1-ND1 3.53Å; Y425-H515 AromaticContact CE2-CE1 3.63Å; Y425-H515 AromaticContact CE2-NE2 3.8Å; Y425-H515 AromaticContact CZ-CE1 3.18Å; Y425-H515 AromaticContact CZ-ND1 3.67Å; Y425-H515 AromaticContact CZ-NE2 3.84Å; Y425-H515 PolarHBondContact OH-CE1 3.08Å; Y425-V594 HydrophobicContact CD2-CB 3.79Å; Y425-V594 HydrophobicContact CD2-CG1 3.67Å; Y425-V594 HydrophobicContact CE2-CB 3.78Å; Y425-V594 HydrophobicContact CE2-CG1 4.2Å; Y425-V594 HydrophobicContact CG-CG1 4.26Å; Y425-W595 HydrophobicContact CE2-CB 4.47Å
426	E	98.3	Very high	98.6	Very high	113 Å²	113	19.1 Å²	19.1	53%	0.528	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48	-37.9	-179.3	-76.5	175.2	174.4	0	0	113.3	K514 K516	E426-K514 WeakPolarHBondContact CG-O 3.45Å; E426-K514 PolarHBondContact N-O 2.97Å; E426-K516 PolarHBondContact O-NZ 3.34Å
427	H	97.8	Very high	98.6	Very high	93 Å²	93	19.1 Å²	19.1	43%	0.431	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-7.8	-178.7	64.5	-66.8	0	0	0	115	Y425 L592	Y425-H427 PolarHBondContact O-N 2.89Å; H427-L592 PolarHBondContact NE2-O 3.19Å
428	T	98.3	Very high	98.6	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.006	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123	-3.9	-175.7	60.2	0	0	0	0	116.1	Q423 Y425 V594 F610	Q423-T428 PolarHBondContact O-OG1 2.68Å; Y425-T428 WeakPolarHBondContact CB-OG1 3.13Å; Y425-T428 PolarHBondContact N-OG1 2.69Å; Y425-T428 VanDerWaalsContact N-OG1 3.08Å; Y425-T428 PolarHBondContact O-N 2.72Å; T428-V594 HydrophobicContact CG2-CG1 3.65Å; T428-F610 WeakPolarHBondContact CA-O 3.34Å; T428-F610 WeakPolarHBondContact O-CB 3.46Å; T428-F610 PolarHBondContact O-N 3.22Å
429	A	98.6	Very high	98.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.105	C	C	.	.			trans	-114.4	150.8	166.2	0	0	0	0	0	109.8	Y425 D489 V490 K516	Y425-A429 PolarHBondContact O-N 2.95Å; A429-D489 VanDerWaalsContact CB-O 3.29Å; A429-D489 WeakPolarHBondContact CB-O 3.45Å; A429-V490 HydrophobicContact CB-CG2 4.26Å; A429-K516 HydrophobicContact CB-CB 4.26Å; A429-K516 HydrophobicContact CB-CD 3.85Å; A429-K516 WeakPolarHBondContact O-CD 3.42Å; A429-K516 WeakPolarHBondContact O-CE 3.49Å; A429-K516 PolarHBondContact O-NZ 3.02Å
430	E	98.2	Very high	98.5	Very high	63 Å²	63	21.8 Å²	21.8	29%	0.294	11%	0.109	S	C	.	.			trans	-142.5	-50.4	-174.9	-172.2	69.2	-179.4	0	0	113.3	P432 D489 K516 F610 R613	E430-P432 WeakPolarHBondContact O-CD 3.4Å; E430-D489 PolarHBondContact N-OD2 3.06Å; E430-K516 IonicContact OE2-NZ 3.78Å; E430-F610 HydrophobicContact CB-CB 4.31Å; E430-F610 HydrophobicContact CB-CD1 3.67Å; E430-F610 HydrophobicContact CB-CD2 3.99Å; E430-F610 HydrophobicContact CB-CE1 3.91Å; E430-F610 HydrophobicContact CB-CE2 4.22Å; E430-F610 HydrophobicContact CB-CG 3.71Å; E430-F610 HydrophobicContact CB-CZ 4.18Å; E430-F610 HydrophobicContact CG-CD1 4.34Å; E430-F610 HydrophobicContact CG-CE1 4.46Å; E430-R613 IonicContact OE1-CZ 3.45Å; E430-R613 IonicContact OE1-NE 2.96Å; E430-R613 PolarHBondContact OE1-NE 3.17Å; E430-R613 IonicContact OE1-NH2 2.92Å
431	D	98.5	Very high	98.5	Very high	33 Å²	33	21.6 Å²	21.6	18%	0.176	11%	0.109	C	C	.	.			trans	-99.3	107.3	-164.5	-175.6	-7.5	0	0	0	111.8	A433 L434 D489 R526 F610	D431-A433 PolarHBondContact O-N 2.67Å; D431-A433 VanDerWaalsContact O-N 3.12Å; D431-A433 WeakPolarHBondContact OD1-CB 3.41Å; D431-A433 PolarHBondContact OD1-N 3.5Å; D431-L434 HydrophobicContact CB-CB 3.81Å; D431-L434 HydrophobicContact CB-CD2 4.43Å; D431-L434 PolarHBondContact O-N 3.34Å; D431-L434 VanDerWaalsContact O-N 3.16Å; D431-D489 PolarHBondContact N-OD2 3Å; D431-R526 IonicContact OD1-NH1 3.8Å; D431-R526 IonicContact OD2-CZ 2.66Å; D431-R526 IonicContact OD2-NH1 3.3Å; D431-R526 PolarHBondContact OD2-NH1 2.96Å; D431-R526 IonicContact OD2-NH2 3.36Å; D431-R526 PolarHBondContact OD2-NH2 3.41Å; D431-F610 HydrophobicContact CB-CZ 4.45Å
432	P	98.6	Very high	98.5	Very high	28 Å²	28	21.6 Å²	21.6	18%	0.182	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-15.8	-178.2	31.3	-37.9	0	0	0	113.2	E430 R492 I520 V523	E430-P432 WeakPolarHBondContact O-CD 3.4Å; P432-R492 PolarHBondContact O-NH1 3.01Å; P432-R492 PolarHBondContact O-NH2 3.43Å; P432-I520 HydrophobicContact CG-CD1 4.16Å; P432-V523 HydrophobicContact CB-CG1 4.14Å; P432-V523 HydrophobicContact CB-CG2 4.18Å; P432-V523 HydrophobicContact CG-CG1 4.31Å
433	A	98.8	Very high	98.5	Very high	12 Å²	12	21.5 Å²	21.5	10%	0.099	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-5.1	178.9	0	0	0	0	0	113.7	D431 V523 Q524 R526	D431-A433 PolarHBondContact O-N 2.67Å; D431-A433 VanDerWaalsContact O-N 3.12Å; D431-A433 WeakPolarHBondContact OD1-CB 3.41Å; D431-A433 PolarHBondContact OD1-N 3.5Å; A433-V523 HydrophobicContact CB-CG1 4.02Å; A433-Q524 VanDerWaalsContact CB-O 3.3Å; A433-Q524 WeakPolarHBondContact CB-O 3.23Å; A433-R526 HydrophobicContact CB-CB 4.39Å; A433-R526 PolarHBondContact O-N 3.16Å
434	L	98.8	Very high	98.4	Very high	21 Å²	21	22.5 Å²	22.5	11%	0.11	11%	0.114	C	C	.	.			trans	-90.7	143.3	-176.9	-178.8	59.9	0	0	0	111.9	D431 Y436 D489 F610	D431-L434 HydrophobicContact CB-CB 3.81Å; D431-L434 HydrophobicContact CB-CD2 4.43Å; D431-L434 PolarHBondContact O-N 3.34Å; D431-L434 VanDerWaalsContact O-N 3.16Å; L434-Y436 HydrophobicContact CD1-CE1 4.24Å; L434-Y436 HydrophobicContact CD2-CE1 3.62Å; L434-Y436 VanDerWaalsContact CD2-OH 3.27Å; L434-Y436 WeakPolarHBondContact CD2-OH 3.22Å; L434-Y436 HydrophobicContact CG-CD1 4.43Å; L434-Y436 HydrophobicContact CG-CE1 3.66Å; L434-D489 HydrophobicContact CB-CB 3.99Å; L434-D489 HydrophobicContact CD2-CB 4.29Å; L434-D489 HydrophobicContact CG-CB 4.23Å; L434-D489 PolarHBondContact O-N 2.82Å; L434-F610 HydrophobicContact CD2-CE2 4.03Å; L434-F610 HydrophobicContact CD2-CZ 3.98Å
435	L	98.9	Very high	98.4	Very high	6 Å²	6	22.5 Å²	22.5	3%	0.031	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	154	-179	-57.3	174.5	0	0	0	110.8	F400 T404 I486 I487 P488 L525 V528 L531	F400-L435 HydrophobicContact CD2-CD2 4.16Å; F400-L435 HydrophobicContact CE2-CD2 3.66Å; T404-L435 HydrophobicContact CG2-CD1 3.74Å; L435-I486 HydrophobicContact CB-CG2 4.44Å; L435-I487 CarbonylContact C-O 3.57Å; L435-I487 WeakPolarHBondContact CA-O 3.44Å; L435-P488 HydrophobicContact CD2-CB 4Å; L435-L525 HydrophobicContact CD1-CB 4.28Å; L435-L525 HydrophobicContact CD1-CD1 3.93Å; L435-L525 HydrophobicContact CD2-CD1 4.36Å; L435-L525 HydrophobicContact CD2-CD2 4.27Å; L435-V528 HydrophobicContact CD1-CG2 4.36Å; L435-L531 HydrophobicContact CB-CD1 3.44Å; L435-L531 VanDerWaalsContact CB-CD1 3.44Å; L435-L531 HydrophobicContact CB-CD2 4.15Å; L435-L531 HydrophobicContact CB-CG 4.28Å; L435-L531 HydrophobicContact CD1-CD1 3.54Å; L435-L531 HydrophobicContact CG-CD1 4.12Å
436	Y	98.9	Very high	98.5	Very high	7 Å²	7	22.6 Å²	22.6	3%	0.027	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	155.3	179.4	-51.1	-47.1	0	0	0	111.7	L434 I486 I487 D489 R608	L434-Y436 HydrophobicContact CD1-CE1 4.24Å; L434-Y436 HydrophobicContact CD2-CE1 3.62Å; L434-Y436 VanDerWaalsContact CD2-OH 3.27Å; L434-Y436 WeakPolarHBondContact CD2-OH 3.22Å; L434-Y436 HydrophobicContact CG-CD1 4.43Å; L434-Y436 HydrophobicContact CG-CE1 3.66Å; Y436-I486 VanDerWaalsContact O-CA 3.29Å; Y436-I486 WeakPolarHBondContact O-CA 3.27Å; Y436-I487 HydrophobicContact CD2-CD1 4.14Å; Y436-I487 HydrophobicContact CD2-CG1 4.1Å; Y436-I487 HydrophobicContact CG-CG1 4.46Å; Y436-I487 PolarHBondContact N-O 3.08Å; Y436-I487 PolarHBondContact O-N 2.95Å; Y436-D489 HydrophobicContact CE2-CB 3.72Å; Y436-D489 WeakPolarHBondContact CE2-OD1 3.23Å; Y436-D489 WeakPolarHBondContact OH-CB 3.47Å; Y436-D489 PolarHBondContact OH-OD1 3.05Å; Y436-R608 HydrophobicContact CD1-CB 4.49Å; Y436-R608 VanDerWaalsContact CD1-CZ 3.48Å; Y436-R608 HydrophobicContact CE1-CB 4.12Å; Y436-R608 VanDerWaalsContact CE1-CZ 3.41Å
437	R	98.9	Very high	98.5	Very high	2 Å²	2	17.2 Å²	17.2	1%	0.008	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	138.3	156.6	-60.7	-179.6	66.7	104	-3	108.8	D411 S413 L414 E484 C485 I486 L531 Y536 H603	D411-R437 IonicContact OD2-CZ 3.14Å; D411-R437 IonicContact OD2-NH1 3.77Å; D411-R437 PolarHBondContact OD2-NH1 3.2Å; S413-R437 PolarHBondContact OG-NH2 3.34Å; L414-R437 VanDerWaalsContact CD2-NH1 3.26Å; R437-E484 IonicContact CZ-OE2 3.03Å; R437-E484 VanDerWaalsContact CZ-OE2 3.26Å; R437-E484 IonicContact NE-OE2 3.36Å; R437-E484 PolarHBondContact NE-OE2 3.38Å; R437-E484 IonicContact NH2-OE2 2.83Å; R437-E484 PolarHBondContact NH2-OE2 3.14Å; R437-C485 WeakPolarHBondContact CA-O 3.13Å; R437-I486 HydrophobicContact CG-CD1 3.71Å; R437-L531 VanDerWaalsContact CD-O 3.3Å; R437-L531 WeakPolarHBondContact CD-O 3.5Å; R437-L531 PolarHBondContact NH1-O 2.85Å; R437-Y536 HydrophobicContact CB-CD1 4.03Å; R437-Y536 HydrophobicContact CB-CE1 3.71Å; R437-Y536 VanDerWaalsContact CD-CD1 3.45Å; R437-Y536 VanDerWaalsContact CD-CG 3.47Å; R437-Y536 HydrophobicContact CG-CD1 3.86Å; R437-Y536 HydrophobicContact CG-CD2 4.11Å; R437-Y536 HydrophobicContact CG-CE1 3.96Å; R437-Y536 HydrophobicContact CG-CE2 4.22Å; R437-Y536 HydrophobicContact CG-CG 3.91Å; R437-Y536 PolarHBondContact N-OH 2.86Å; R437-H603 WeakPolarHBondContact O-CB 3.46Å
438	V	98.8	Very high	98.5	Very high	4 Å²	4	12.9 Å²	12.9	2%	0.024	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	144.8	176.7	-65.2	0	0	0	0	112.1	S440 P442 E484 C485 I487 Y602	V438-S440 PolarHBondContact O-N 3.48Å; V438-P442 HydrophobicContact CG2-CG 4.36Å; V438-E484 CarbonylContact O-C 3.56Å; V438-E484 VanDerWaalsContact O-CA 3.23Å; V438-E484 WeakPolarHBondContact O-CA 3.41Å; V438-E484 VanDerWaalsContact O-CB 3.28Å; V438-E484 WeakPolarHBondContact O-CB 3.29Å; V438-C485 PolarHBondContact N-O 2.93Å; V438-C485 PolarHBondContact O-N 2.96Å; V438-I487 HydrophobicContact CB-CD1 4.46Å; V438-I487 HydrophobicContact CG1-CD1 3.55Å; V438-I487 HydrophobicContact CG1-CG1 4.02Å; V438-I487 HydrophobicContact CG2-CD1 4.05Å; V438-I487 HydrophobicContact CG2-CG1 4.19Å; V438-I487 HydrophobicContact CG2-CG2 3.97Å; V438-Y602 WeakPolarHBondContact CA-O 3.45Å
439	E	98.5	Very high	98.6	Very high	40 Å²	40	14.3 Å²	14.3	19%	0.187	8%	0.076	C	C	.	.	S	Bend	trans	-82.6	47.9	-178.7	-69.2	-176.6	-155.1	0	0	113.4	R480 E484 Y602 R604	E439-R480 PolarHBondContact O-NH1 3Å; E439-R480 PolarHBondContact O-NH2 2.74Å; E439-E484 HydrophobicContact CG-CG 3.93Å; E439-Y602 HydrophobicContact CB-CD2 4.32Å; E439-Y602 HydrophobicContact CB-CE2 3.8Å; E439-Y602 HydrophobicContact CG-CE2 4.26Å; E439-Y602 PolarHBondContact N-O 2.92Å; E439-Y602 VanDerWaalsContact OE2-CE2 3.24Å; E439-Y602 WeakPolarHBondContact OE2-CE2 3.5Å; E439-R604 WeakPolarHBondContact OE1-CA 3.47Å; E439-R604 WeakPolarHBondContact OE1-CG 3.5Å; E439-R604 PolarHBondContact OE1-N 3.24Å
440	S	97.2	Very high	98.6	Very high	12 Å²	12	16.7 Å²	16.7	8%	0.084	9%	0.086	C	C	.	.	S	Bend	trans	-148.3	180	178.6	-168.2	0	0	0	0	111.4	V438 C485	V438-S440 PolarHBondContact O-N 3.48Å; S440-C485 PolarHBondContact O-SG 3.37Å
441	M	98.4	Very high	98.6	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.088	C	C	.	.			trans	-121.8	92.7	168.1	-166.3	-73.6	-74.2	0	0	107.6	Y415 G443 W446 W470 D471 M474 R475	Y415-M441 HydrophobicContact CD1-CB 4.06Å; Y415-M441 HydrophobicContact CD1-CG 3.95Å; Y415-M441 HydrophobicContact CE1-CB 3.99Å; Y415-M441 HydrophobicContact CE1-CG 3.84Å; M441-G443 VanDerWaalsContact C-N 3.34Å; M441-G443 PolarHBondContact O-N 3.29Å; M441-G443 PolarHBondContact SD-N 2.97Å; M441-W446 HydrophobicContact SD-CD2 4.47Å; M441-W470 HydrophobicContact CE-CE3 4.27Å; M441-W470 HydrophobicContact CE-CH2 3.91Å; M441-W470 HydrophobicContact CE-CZ3 3.46Å; M441-W470 VanDerWaalsContact CE-CZ3 3.46Å; M441-D471 HydrophobicContact CE-CB 3.87Å; M441-M474 HydrophobicContact CE-CB 3.8Å; M441-M474 HydrophobicContact CE-CE 4.06Å; M441-M474 HydrophobicContact CE-CG 4.43Å; M441-M474 HydrophobicContact CE-SD 3.93Å; M441-M474 HydrophobicContact CG-CE 4.31Å; M441-R475 HydrophobicContact CB-CG 4.01Å; M441-R475 PolarHBondContact O-NE 3.37Å; M441-R475 PolarHBondContact O-NH2 3.31Å
442	P	98.6	Very high	98.6	Very high	4 Å²	4	14.8 Å²	14.8	3%	0.026	8%	0.082	C	C	.	.			trans	-67.2	-31.6	-172.7	-23.1	34.2	0	0	0	113.8	V438 I487	V438-P442 HydrophobicContact CG2-CG 4.36Å; P442-I487 HydrophobicContact CG-CG2 3.85Å
443	G	98.1	Very high	98.6	Very high	2 Å²	2	13.5 Å²	13.5	2%	0.021	7%	0.073	C	C	.	.			trans	75.4	-135.5	-175.1	0	0	0	0	0	111.8	S418 M441 G445	S418-G443 PolarHBondContact OG-O 3.49Å; M441-G443 VanDerWaalsContact C-N 3.34Å; M441-G443 PolarHBondContact O-N 3.29Å; M441-G443 PolarHBondContact SD-N 2.97Å; G443-G445 PolarHBondContact O-N 3.46Å
444	L	98.1	Very high	98.6	Very high	27 Å²	27	15 Å²	15	14%	0.141	8%	0.078	C	C	.	.	S	Bend	trans	45.5	53.6	171.5	-62.4	172.7	0	0	0	114.1	L391 W420 S493	L391-L444 HydrophobicContact CD2-CB 4.36Å; L391-L444 HydrophobicContact CD2-CD2 3.89Å; W420-L444 HydrophobicContact CB-CB 3.82Å; W420-L444 HydrophobicContact CB-CD1 4.5Å; W420-L444 HydrophobicContact CD2-CB 4.18Å; W420-L444 HydrophobicContact CD2-CD1 3.57Å; W420-L444 HydrophobicContact CE3-CB 4.46Å; W420-L444 HydrophobicContact CE3-CD1 4.19Å; W420-L444 HydrophobicContact CG-CB 3.92Å; W420-L444 HydrophobicContact CG-CD1 3.71Å; W420-L444 HydrophobicContact CG-CG 4.44Å; W420-L444 HydrophobicContact CZ2-CD1 4.05Å; L444-S493 VanDerWaalsContact O-CB 3.31Å; L444-S493 WeakPolarHBondContact O-CB 3.45Å; L444-S493 PolarHBondContact O-OG 2.84Å
445	G	98.6	Very high	98.6	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.01	10%	0.104	C	C	.	.	S	Bend	trans	90.9	90.9	-172.6	0	0	0	0	0	111.4	V386 A419 G443	V386-G445 WeakPolarHBondContact O-CA 3.34Å; A419-G445 WeakPolarHBondContact CB-O 3.45Å; A419-G445 PolarHBondContact N-O 2.93Å; G443-G445 PolarHBondContact O-N 3.46Å
446	W	98.9	Very high	98.5	Very high	5 Å²	5	21.5 Å²	21.5	2%	0.019	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	161.4	-169.9	61.5	-75.7	0	0	0	112.8	V385 V386 C416 I417 M441 L448 W470 M474	V385-W446 CarbonylContact C-O 3.58Å; V385-W446 WeakPolarHBondContact CA-O 3.45Å; V386-W446 HydrophobicContact CB-CD2 4.25Å; V386-W446 HydrophobicContact CB-CG 4.49Å; V386-W446 HydrophobicContact CB-CZ2 3.99Å; V386-W446 HydrophobicContact CG1-CZ2 4.07Å; V386-W446 HydrophobicContact CG2-CD2 4.46Å; V386-W446 HydrophobicContact CG2-CH2 4.31Å; V386-W446 HydrophobicContact CG2-CZ2 3.9Å; V386-W446 PolarHBondContact N-O 2.86Å; V386-W446 PolarHBondContact O-N 2.83Å; V386-W446 VanDerWaalsContact O-N 3.13Å; C416-W446 HydrophobicContact CB-CE3 4.39Å; I417-W446 CarbonylContact O-C 3.55Å; I417-W446 WeakPolarHBondContact O-CA 3.39Å; I417-W446 WeakPolarHBondContact O-CB 3.23Å; M441-W446 HydrophobicContact SD-CD2 4.47Å; W446-L448 HydrophobicContact CE3-CB 4.13Å; W446-L448 HydrophobicContact CH2-CB 3.98Å; W446-L448 HydrophobicContact CH2-CD1 4.08Å; W446-L448 HydrophobicContact CH2-CD2 4Å; W446-L448 HydrophobicContact CH2-CG 4.24Å; W446-L448 HydrophobicContact CZ3-CB 3.48Å; W446-L448 VanDerWaalsContact CZ3-CB 3.48Å; W446-L448 HydrophobicContact CZ3-CD1 3.71Å; W446-L448 HydrophobicContact CZ3-CD2 4.28Å; W446-L448 HydrophobicContact CZ3-CG 3.99Å; W446-W470 HydrophobicContact CH2-CZ3 4.39Å; W446-W470 AromaticContact CZ2-CH2 3.87Å; W446-W470 HydrophobicContact CZ2-CH2 3.87Å; W446-W470 AromaticContact CZ2-CZ3 3.69Å; W446-W470 HydrophobicContact CZ2-CZ3 3.69Å; W446-W470 AromaticContact NE1-CH2 3.81Å; W446-M474 HydrophobicContact CH2-CE 4Å; W446-M474 HydrophobicContact CH2-SD 4.37Å; W446-M474 HydrophobicContact CZ3-CE 4.15Å
447	V	98.9	Very high	98.5	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.006	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	129.2	179.2	-173.8	0	0	0	0	110.9	F383 A384 V385 L401 I405 L408 C416 I417	F383-V447 HydrophobicContact CB-CG1 3.94Å; F383-V447 HydrophobicContact CD1-CG1 4.17Å; F383-V447 HydrophobicContact CG-CG1 4.34Å; A384-V447 WeakPolarHBondContact O-CA 3.43Å; V385-V447 HydrophobicContact CG2-CG2 4.36Å; L401-V447 HydrophobicContact CD1-CG2 3.93Å; L401-V447 HydrophobicContact CD2-CG2 3.62Å; L401-V447 HydrophobicContact CG-CG2 4.38Å; I405-V447 HydrophobicContact CD1-CB 4.45Å; I405-V447 HydrophobicContact CD1-CG1 3.6Å; I405-V447 HydrophobicContact CD1-CG2 4.46Å; L408-V447 HydrophobicContact CD1-CB 4.25Å; L408-V447 HydrophobicContact CD1-CG1 3.99Å; C416-V447 WeakPolarHBondContact CB-O 3.32Å; I417-V447 HydrophobicContact CB-CB 4.37Å; I417-V447 HydrophobicContact CB-CG2 4.37Å; I417-V447 PolarHBondContact O-N 3.4Å
448	L	98.8	Very high	98.5	Very high	2 Å²	2	23 Å²	23	1%	0.01	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	125.5	177.5	-179.5	58.8	0	0	0	110.9	L371 F375 F383 A384 W446 I452 Y453 L457	L371-L448 HydrophobicContact CD1-CD2 3.88Å; L371-L448 HydrophobicContact CD2-CD2 3.81Å; L371-L448 HydrophobicContact CG-CD2 4.33Å; F375-L448 HydrophobicContact CE2-CD2 4.1Å; F375-L448 HydrophobicContact CZ-CD2 4.45Å; F375-L448 HydrophobicContact CZ-CG 4.47Å; F383-L448 CarbonylContact C-O 3.56Å; F383-L448 VanDerWaalsContact CA-O 3.26Å; F383-L448 WeakPolarHBondContact CA-O 3.27Å; A384-L448 PolarHBondContact N-O 2.83Å; A384-L448 PolarHBondContact O-N 3.35Å; W446-L448 HydrophobicContact CE3-CB 4.13Å; W446-L448 HydrophobicContact CH2-CB 3.98Å; W446-L448 HydrophobicContact CH2-CD1 4.08Å; W446-L448 HydrophobicContact CH2-CD2 4Å; W446-L448 HydrophobicContact CH2-CG 4.24Å; W446-L448 HydrophobicContact CZ3-CB 3.48Å; W446-L448 VanDerWaalsContact CZ3-CB 3.48Å; W446-L448 HydrophobicContact CZ3-CD1 3.71Å; W446-L448 HydrophobicContact CZ3-CD2 4.28Å; W446-L448 HydrophobicContact CZ3-CG 3.99Å; L448-I452 HydrophobicContact CD1-CG2 4.5Å; L448-Y453 HydrophobicContact CD2-CD2 3.85Å; L448-Y453 HydrophobicContact CD2-CG 3.93Å; L448-L457 HydrophobicContact CD1-CD1 4.33Å
449	K	98.6	Very high	98.5	Very high	30 Å²	30	27.6 Å²	27.6	13%	0.13	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	132.8	169.9	-166.2	173.1	-170.2	171.1	0	110.5	F383 L408 D409 S451 I452 Y453	F383-K449 HydrophobicContact CD1-CB 4.1Å; F383-K449 HydrophobicContact CD1-CG 4.14Å; F383-K449 HydrophobicContact CE1-CB 4.06Å; F383-K449 HydrophobicContact CE1-CD 4.2Å; F383-K449 HydrophobicContact CE1-CG 3.76Å; L408-K449 PolarHBondContact O-NZ 3.3Å; D409-K449 VanDerWaalsContact OD1-CE 3.31Å; D409-K449 WeakPolarHBondContact OD1-CE 3.13Å; D409-K449 IonicContact OD1-NZ 2.83Å; D409-K449 PolarHBondContact OD1-NZ 2.73Å; K449-S451 VanDerWaalsContact C-N 3.34Å; K449-S451 PolarHBondContact O-N 3.18Å; K449-I452 HydrophobicContact CB-CB 4.42Å; K449-I452 HydrophobicContact CB-CD1 4.03Å; K449-I452 HydrophobicContact CB-CG1 4.13Å; K449-I452 PolarHBondContact O-N 3.47Å; K449-Y453 PolarHBondContact O-N 3.23Å; K449-Y453 VanDerWaalsContact O-N 3.13Å
450	K	98.6	Very high	98.5	Very high	50 Å²	50	29.5 Å²	29.5	22%	0.217	16%	0.156	C	C	.	.	H	α-helix	trans	-58.5	-42.5	-176.8	-179.1	169	177	165.8	0	112.8	F375 P379 A381 G382 Y453 K454	F375-K450 HydrophobicContact CB-CD 4.46Å; F375-K450 HydrophobicContact CD1-CB 3.97Å; F375-K450 HydrophobicContact CD1-CD 3.66Å; F375-K450 HydrophobicContact CD1-CG 3.73Å; F375-K450 HydrophobicContact CD2-CG 4.48Å; F375-K450 HydrophobicContact CE1-CB 3.57Å; F375-K450 HydrophobicContact CE1-CD 4.13Å; F375-K450 HydrophobicContact CE1-CG 3.87Å; F375-K450 HydrophobicContact CG-CD 4.17Å; F375-K450 HydrophobicContact CG-CG 4.06Å; F375-K450 HydrophobicContact CZ-CB 3.9Å; F375-K450 HydrophobicContact CZ-CG 4.3Å; P379-K450 PolarHBondContact O-NZ 3.39Å; A381-K450 WeakPolarHBondContact O-CD 3.38Å; G382-K450 WeakPolarHBondContact O-CB 3.33Å; G382-K450 PolarHBondContact O-N 2.9Å; K450-Y453 PolarHBondContact O-N 3.02Å; K450-K454 HydrophobicContact CG-CG 4.01Å; K450-K454 WeakPolarHBondContact O-CB 3.5Å; K450-K454 PolarHBondContact O-N 3.33Å
451	S	98.4	Very high	98.6	Very high	49 Å²	49	29.4 Å²	29.4	34%	0.343	15%	0.154	S	C	.	.	H	α-helix	trans	-63.4	-43.4	179.4	54.4	0	0	0	0	112.1	K449 Y453 D455	K449-S451 VanDerWaalsContact C-N 3.34Å; K449-S451 PolarHBondContact O-N 3.18Å; S451-Y453 VanDerWaalsContact C-N 3.28Å; S451-Y453 PolarHBondContact O-N 3.36Å; S451-D455 WeakPolarHBondContact CA-OD2 3.31Å; S451-D455 WeakPolarHBondContact CB-OD2 3.34Å; S451-D455 WeakPolarHBondContact O-CB 3.31Å; S451-D455 PolarHBondContact O-N 2.76Å
452	I	98.6	Very high	98.6	Very high	8 Å²	8	29.4 Å²	29.4	4%	0.041	15%	0.154	C	C	.	.	I	π-helix	trans	-57.4	-45.7	174.2	-64.4	178.6	0	0	0	109.9	Y415 L448 K449 E456 L457	Y415-I452 HydrophobicContact CD2-CD1 4.26Å; Y415-I452 HydrophobicContact CD2-CG2 4.35Å; Y415-I452 HydrophobicContact CE2-CG2 3.85Å; L448-I452 HydrophobicContact CD1-CG2 4.5Å; K449-I452 HydrophobicContact CB-CB 4.42Å; K449-I452 HydrophobicContact CB-CD1 4.03Å; K449-I452 HydrophobicContact CB-CG1 4.13Å; K449-I452 PolarHBondContact O-N 3.47Å; I452-E456 VanDerWaalsContact O-CB 3.28Å; I452-E456 WeakPolarHBondContact O-CB 3.32Å; I452-E456 PolarHBondContact O-N 2.54Å; I452-L457 HydrophobicContact CG2-CD1 3.92Å; I452-L457 HydrophobicContact CG2-CG 4.14Å; I452-L457 PolarHBondContact O-N 3.04Å
453	Y	98.8	Very high	98.6	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.17	C	C	.	.	I	π-helix	trans	-66	-58.1	179.5	-177.6	-107	0	0	0	113	K368 L371 T372 F375 L448 K449 K450 S451 L457 E458 W461	K368-Y453 PolarHBondContact O-OH 3.05Å; L371-Y453 HydrophobicContact CB-CD2 4.19Å; L371-Y453 HydrophobicContact CB-CE1 3.98Å; L371-Y453 HydrophobicContact CB-CE2 3.56Å; L371-Y453 VanDerWaalsContact CB-CZ 3.44Å; L371-Y453 HydrophobicContact CD1-CD2 3.99Å; L371-Y453 HydrophobicContact CD1-CE2 3.64Å; L371-Y453 HydrophobicContact CG-CE2 4.26Å; T372-Y453 PolarHBondContact N-OH 3.15Å; T372-Y453 PolarHBondContact OG1-OH 3.2Å; F375-Y453 AromaticContact CD2-CD1 3.54Å; F375-Y453 HydrophobicContact CD2-CD1 3.54Å; F375-Y453 HydrophobicContact CD2-CE1 4.11Å; F375-Y453 HydrophobicContact CD2-CG 4.28Å; F375-Y453 AromaticContact CE2-CD1 3.65Å; F375-Y453 HydrophobicContact CE2-CD1 3.65Å; F375-Y453 HydrophobicContact CE2-CE1 4.49Å; F375-Y453 AromaticContact CE2-CG 3.91Å; F375-Y453 HydrophobicContact CE2-CG 3.91Å; L448-Y453 HydrophobicContact CD2-CD2 3.85Å; L448-Y453 HydrophobicContact CD2-CG 3.93Å; K449-Y453 PolarHBondContact O-N 3.23Å; K449-Y453 VanDerWaalsContact O-N 3.13Å; K450-Y453 PolarHBondContact O-N 3.02Å; S451-Y453 VanDerWaalsContact C-N 3.28Å; S451-Y453 PolarHBondContact O-N 3.36Å; Y453-L457 HydrophobicContact CD2-CB 4.35Å; Y453-L457 PolarHBondContact O-N 2.91Å; Y453-L457 VanDerWaalsContact O-N 3.14Å; Y453-E458 HydrophobicContact CD1-CB 4.37Å; Y453-E458 HydrophobicContact CE1-CB 3.95Å; Y453-E458 HydrophobicContact CE1-CG 4.1Å; Y453-E458 WeakPolarHBondContact CE1-OE1 3.2Å; Y453-E458 HydrophobicContact CE2-CB 4.22Å; Y453-E458 VanDerWaalsContact O-CB 3.31Å; Y453-E458 WeakPolarHBondContact O-CB 3.06Å; Y453-E458 PolarHBondContact O-N 3.05Å; Y453-E458 PolarHBondContact OH-OE1 3.35Å; Y453-W461 HydrophobicContact CD2-CZ3 4.44Å; Y453-W461 HydrophobicContact CE2-CE3 4.18Å; Y453-W461 AromaticContact CE2-CZ3 3.91Å; Y453-W461 HydrophobicContact CE2-CZ3 3.91Å
454	K	98.6	Very high	98.6	Very high	45 Å²	45	34.1 Å²	34.1	20%	0.196	18%	0.183	C	C	.	.	I	π-helix	trans	-71.2	-40.1	-171.1	-70.6	-58.8	-171.5	175.6	0	113.1	K450 E458 P459	K450-K454 HydrophobicContact CG-CG 4.01Å; K450-K454 WeakPolarHBondContact O-CB 3.5Å; K450-K454 PolarHBondContact O-N 3.33Å; K454-E458 WeakPolarHBondContact CD-OE2 3.19Å; K454-E458 VanDerWaalsContact NZ-CD 3.31Å; K454-E458 IonicContact NZ-OE1 2.73Å; K454-E458 PolarHBondContact NZ-OE1 2.83Å; K454-E458 IonicContact NZ-OE2 3.33Å; K454-E458 PolarHBondContact NZ-OE2 2.63Å; K454-P459 WeakPolarHBondContact O-CD 3.43Å; K454-P459 WeakPolarHBondContact O-CG 3.47Å
455	D	98.4	Very high	98.5	Very high	122 Å²	122	39.5 Å²	39.5	65%	0.652	21%	0.208	S	C	*	.	I	π-helix	trans	-92	-27.2	-172.2	-51.2	-36.8	0	0	0	111.9	S451	S451-D455 WeakPolarHBondContact CA-OD2 3.31Å; S451-D455 WeakPolarHBondContact CB-OD2 3.34Å; S451-D455 WeakPolarHBondContact O-CB 3.31Å; S451-D455 PolarHBondContact O-N 2.76Å
456	E	98.6	Very high	98.4	Very high	41 Å²	41	43 Å²	43	19%	0.192	22%	0.223	C	C	.	.	I	π-helix	trans	-113.6	-50.4	-176.7	-53.3	-174.8	-120.3	0	0	114.5	I452 K460 K481 R483	I452-E456 VanDerWaalsContact O-CB 3.28Å; I452-E456 WeakPolarHBondContact O-CB 3.32Å; I452-E456 PolarHBondContact O-N 2.54Å; E456-K460 WeakPolarHBondContact O-CD 3.4Å; E456-K460 WeakPolarHBondContact O-CE 3.39Å; E456-K460 WeakPolarHBondContact O-CG 3.49Å; E456-K481 WeakPolarHBondContact OE2-CE 3.35Å; E456-K481 IonicContact OE2-NZ 2.67Å; E456-K481 PolarHBondContact OE2-NZ 3.06Å; E456-R483 IonicContact OE1-CZ 2.84Å; E456-R483 IonicContact OE1-NH1 3.87Å; E456-R483 PolarHBondContact OE1-NH1 2.83Å; E456-R483 IonicContact OE1-NH2 2.87Å; E456-R483 PolarHBondContact OE1-NH2 2.94Å; E456-R483 IonicContact OE2-CZ 3.43Å; E456-R483 IonicContact OE2-NH1 2.76Å; E456-R483 IonicContact OE2-NH2 3.38Å; E456-R483 PolarHBondContact OE2-NH2 3.45Å
457	L	98.8	Very high	98.3	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	25%	0.247	C	C	.	.	I	π-helix	trans	-86.4	-52.3	-167.9	-60.7	176.5	0	0	0	113.3	L448 I452 Y453 P459 K460 W461 W473 M474 Q479	L448-L457 HydrophobicContact CD1-CD1 4.33Å; I452-L457 HydrophobicContact CG2-CD1 3.92Å; I452-L457 HydrophobicContact CG2-CG 4.14Å; I452-L457 PolarHBondContact O-N 3.04Å; Y453-L457 HydrophobicContact CD2-CB 4.35Å; Y453-L457 PolarHBondContact O-N 2.91Å; Y453-L457 VanDerWaalsContact O-N 3.14Å; L457-P459 VanDerWaalsContact C-CD 3.48Å; L457-K460 CarbonylContact O-C 3.6Å; L457-K460 PolarHBondContact O-N 2.96Å; L457-W461 HydrophobicContact CB-CE3 4.4Å; L457-W461 PolarHBondContact O-N 3.12Å; L457-W473 HydrophobicContact CB-CH2 4.24Å; L457-W473 HydrophobicContact CB-CZ3 4.4Å; L457-W473 HydrophobicContact CD2-CH2 3.88Å; L457-W473 HydrophobicContact CD2-CZ3 3.93Å; L457-M474 HydrophobicContact CD1-CE 3.66Å; L457-M474 HydrophobicContact CD1-SD 4.24Å; L457-Q479 HydrophobicContact CD2-CB 4.26Å; L457-Q479 HydrophobicContact CD2-CG 4.09Å
458	E	98.8	Very high	98.2	Very high	39 Å²	39	52.9 Å²	52.9	18%	0.182	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-55.1	-43.7	-174.7	-174.7	-179.6	-127.7	0	0	113.2	T372 Y453 K454 K460 W461	T372-E458 WeakPolarHBondContact CB-OE1 3.44Å; T372-E458 WeakPolarHBondContact CG2-OE1 3.24Å; T372-E458 PolarHBondContact OG1-OE1 3.05Å; Y453-E458 HydrophobicContact CD1-CB 4.37Å; Y453-E458 HydrophobicContact CE1-CB 3.95Å; Y453-E458 HydrophobicContact CE1-CG 4.1Å; Y453-E458 WeakPolarHBondContact CE1-OE1 3.2Å; Y453-E458 HydrophobicContact CE2-CB 4.22Å; Y453-E458 VanDerWaalsContact O-CB 3.31Å; Y453-E458 WeakPolarHBondContact O-CB 3.06Å; Y453-E458 PolarHBondContact O-N 3.05Å; Y453-E458 PolarHBondContact OH-OE1 3.35Å; K454-E458 WeakPolarHBondContact CD-OE2 3.19Å; K454-E458 VanDerWaalsContact NZ-CD 3.31Å; K454-E458 IonicContact NZ-OE1 2.73Å; K454-E458 PolarHBondContact NZ-OE1 2.83Å; K454-E458 IonicContact NZ-OE2 3.33Å; K454-E458 PolarHBondContact NZ-OE2 2.63Å; E458-K460 VanDerWaalsContact C-N 3.28Å; E458-K460 PolarHBondContact O-N 3.13Å; E458-W461 WeakPolarHBondContact O-CB 3.43Å; E458-W461 PolarHBondContact O-N 2.72Å
459	P	98.7	Very high	98.1	Very high	101 Å²	101	55 Å²	55	66%	0.656	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-66.5	-26	-179	-22.6	35.3	0	0	0	114.4	K454 L457	K454-P459 WeakPolarHBondContact O-CD 3.43Å; K454-P459 WeakPolarHBondContact O-CG 3.47Å; L457-P459 VanDerWaalsContact C-CD 3.48Å
460	K	98.4	Very high	98.1	Very high	80 Å²	80	54.3 Å²	54.3	35%	0.348	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-114.9	15	-179.3	64.1	176.4	-176.7	172	0	112.9	E456 L457 E458 W473 E478	E456-K460 WeakPolarHBondContact O-CD 3.4Å; E456-K460 WeakPolarHBondContact O-CE 3.39Å; E456-K460 WeakPolarHBondContact O-CG 3.49Å; L457-K460 CarbonylContact O-C 3.6Å; L457-K460 PolarHBondContact O-N 2.96Å; E458-K460 VanDerWaalsContact C-N 3.28Å; E458-K460 PolarHBondContact O-N 3.13Å; K460-W473 HydrophobicContact CD-CZ2 4.46Å; K460-W473 HydrophobicContact CG-CH2 4.3Å; K460-W473 HydrophobicContact CG-CZ2 4.01Å; K460-W473 WeakPolarHBondContact O-CZ2 3.48Å; K460-E478 PolarHBondContact NZ-O 3.11Å
461	W	98.8	Very high	98.1	Very high	9 Å²	9	53.3 Å²	53.3	3%	0.034	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-56.2	137.4	179.8	-165.1	-82.2	0	0	0	109.8	S364 K368 L371 Y453 L457 E458 T463 W470 W473	S364-W461 WeakPolarHBondContact O-CZ2 3.4Å; S364-W461 PolarHBondContact O-NE1 2.99Å; S364-W461 PolarHBondContact OG-NE1 3.17Å; K368-W461 HydrophobicContact CB-CD2 3.97Å; K368-W461 HydrophobicContact CB-CG 4.07Å; K368-W461 HydrophobicContact CB-CZ2 4.24Å; K368-W461 HydrophobicContact CD-CB 3.89Å; K368-W461 HydrophobicContact CD-CD2 4.4Å; K368-W461 HydrophobicContact CD-CG 3.7Å; K368-W461 HydrophobicContact CG-CB 4.37Å; K368-W461 HydrophobicContact CG-CD2 4.06Å; K368-W461 HydrophobicContact CG-CG 3.89Å; L371-W461 HydrophobicContact CD1-CH2 4.15Å; L371-W461 HydrophobicContact CD1-CZ3 4.34Å; Y453-W461 HydrophobicContact CD2-CZ3 4.44Å; Y453-W461 HydrophobicContact CE2-CE3 4.18Å; Y453-W461 AromaticContact CE2-CZ3 3.91Å; Y453-W461 HydrophobicContact CE2-CZ3 3.91Å; L457-W461 HydrophobicContact CB-CE3 4.4Å; L457-W461 PolarHBondContact O-N 3.12Å; E458-W461 WeakPolarHBondContact O-CB 3.43Å; E458-W461 PolarHBondContact O-N 2.72Å; W461-T463 PolarHBondContact O-N 3.49Å; W461-W470 HydrophobicContact CZ2-CB 3.98Å; W461-W473 HydrophobicContact CD2-CZ3 4.4Å; W461-W473 HydrophobicContact CE3-CH2 4.42Å; W461-W473 AromaticContact CE3-CZ3 3.97Å; W461-W473 HydrophobicContact CE3-CZ3 3.97Å; W461-W473 HydrophobicContact CZ3-CZ3 4.23Å
462	P	98.4	Very high	98	Very high	1 Å²	1	55 Å²	55	1%	0.006	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-50.7	133.1	179.4	-29	36.7	0	0	0	112.1	Q365 K466 W468 W473	Q365-P462 PolarHBondContact NE2-O 2.84Å; P462-K466 HydrophobicContact CB-CB 4.25Å; P462-K466 HydrophobicContact CB-CD 4.09Å; P462-W468 HydrophobicContact CB-CE3 4.18Å; P462-W468 HydrophobicContact CG-CE3 4.01Å; P462-W473 HydrophobicContact CG-CB 4.31Å; P462-W473 HydrophobicContact CG-CD2 3.67Å; P462-W473 HydrophobicContact CG-CE3 4.28Å; P462-W473 HydrophobicContact CG-CG 3.62Å; P462-W473 HydrophobicContact CG-CZ2 4.46Å
463	T	98.3	Very high	98	Very high	57 Å²	57	55.2 Å²	55.2	35%	0.35	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-71.4	157.4	178.8	43.8	0	0	0	0	111.1	W461 E465 K466	W461-T463 PolarHBondContact O-N 3.49Å; T463-E465 VanDerWaalsContact CB-CD 3.43Å; T463-E465 WeakPolarHBondContact CB-OE1 3.25Å; T463-E465 WeakPolarHBondContact CB-OE2 3.49Å; T463-E465 PolarHBondContact O-N 3.47Å; T463-E465 PolarHBondContact OG1-OE1 2.79Å; T463-E465 PolarHBondContact OG1-OE2 3.31Å; T463-K466 WeakPolarHBondContact O-CB 3.28Å; T463-K466 PolarHBondContact O-N 2.83Å
464	P	98	Very high	98	Very high	47 Å²	47	55.3 Å²	55.3	31%	0.305	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-22.1	-171.7	-25.5	34.2	0	0	0	115.7	I356 S357 A361 Q365 K466	I356-P464 HydrophobicContact CG2-CB 3.99Å; I356-P464 HydrophobicContact CG2-CG 4.08Å; S357-P464 VanDerWaalsContact CB-O 3.24Å; S357-P464 WeakPolarHBondContact CB-O 3.4Å; S357-P464 PolarHBondContact OG-O 2.85Å; A361-P464 WeakPolarHBondContact CB-O 3.24Å; Q365-P464 HydrophobicContact CG-CB 4.06Å; Q365-P464 HydrophobicContact CG-CG 4.03Å; P464-K466 VanDerWaalsContact C-N 3.3Å
465	E	97.2	Very high	98	Very high	140 Å²	140	54.7 Å²	54.7	65%	0.654	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-14.9	176.5	69.5	-81.1	-174.2	0	0	113.9	T463 L467	T463-E465 VanDerWaalsContact CB-CD 3.43Å; T463-E465 WeakPolarHBondContact CB-OE1 3.25Å; T463-E465 WeakPolarHBondContact CB-OE2 3.49Å; T463-E465 PolarHBondContact O-N 3.47Å; T463-E465 PolarHBondContact OG1-OE1 2.79Å; T463-E465 PolarHBondContact OG1-OE2 3.31Å; E465-L467 PolarHBondContact O-N 2.03Å
466	K	96.6	Very high	98	Very high	75 Å²	75	52.1 Å²	52.1	33%	0.326	26%	0.257	S	S	.	.			trans	-85.6	110.7	-178.9	-64.2	-173.3	176.6	-171.3	0	110.5	A361 P462 T463 P464 W468	A361-K466 VanDerWaalsContact CB-O 3.26Å; A361-K466 WeakPolarHBondContact CB-O 3.43Å; P462-K466 HydrophobicContact CB-CB 4.25Å; P462-K466 HydrophobicContact CB-CD 4.09Å; T463-K466 WeakPolarHBondContact O-CB 3.28Å; T463-K466 PolarHBondContact O-N 2.83Å; P464-K466 VanDerWaalsContact C-N 3.3Å; K466-W468 HydrophobicContact CB-CD2 4.08Å; K466-W468 HydrophobicContact CB-CE3 4.5Å; K466-W468 HydrophobicContact CB-CG 4.12Å; K466-W468 HydrophobicContact CD-CD2 4.02Å; K466-W468 HydrophobicContact CD-CE3 3.82Å; K466-W468 HydrophobicContact CD-CH2 3.91Å; K466-W468 HydrophobicContact CD-CZ2 4.06Å; K466-W468 HydrophobicContact CD-CZ3 3.77Å; K466-W468 PolarHBondContact O-N 3.29Å
467	L	96.6	Very high	97.9	Very high	101 Å²	101	54.5 Å²	54.5	53%	0.529	28%	0.276	S	S	.	.			trans	-74.5	51.2	172.8	-58.8	179.1	0	0	0	111.8	I358 A361 E465	I358-L467 HydrophobicContact CG1-CD2 4.19Å; A361-L467 HydrophobicContact CB-CD2 3.93Å; E465-L467 PolarHBondContact O-N 2.03Å
468	W	96.6	Very high	97.9	Very high	113 Å²	113	60 Å²	60	43%	0.428	30%	0.302	S	S	.	.			trans	-103.7	138.2	179	-62.4	-9.4	0	0	0	109.9	P462 K466 W473	P462-W468 HydrophobicContact CB-CE3 4.18Å; P462-W468 HydrophobicContact CG-CE3 4.01Å; K466-W468 HydrophobicContact CB-CD2 4.08Å; K466-W468 HydrophobicContact CB-CE3 4.5Å; K466-W468 HydrophobicContact CB-CG 4.12Å; K466-W468 HydrophobicContact CD-CD2 4.02Å; K466-W468 HydrophobicContact CD-CE3 3.82Å; K466-W468 HydrophobicContact CD-CH2 3.91Å; K466-W468 HydrophobicContact CD-CZ2 4.06Å; K466-W468 HydrophobicContact CD-CZ3 3.77Å; K466-W468 PolarHBondContact O-N 3.29Å; W468-W473 AromaticContact CE3-CD1 3.7Å; W468-W473 HydrophobicContact CE3-CG 4.47Å; W468-W473 AromaticContact CZ3-CD1 3.79Å
469	D	97.3	Very high	97.9	Very high	47 Å²	47	58.8 Å²	58.8	25%	0.251	30%	0.296	S	S	.	.			trans	-67.8	130.3	166.5	-59.9	-77.4	0	0	0	109.7	N360 D471 M472 W473	N360-D469 WeakPolarHBondContact CB-OD1 3.29Å; N360-D469 VanDerWaalsContact CG-OD1 3.28Å; N360-D469 VanDerWaalsContact ND2-CG 3.27Å; N360-D469 PolarHBondContact ND2-OD1 3.25Å; N360-D469 PolarHBondContact ND2-OD2 2.93Å; N360-D469 VanDerWaalsContact ND2-OD2 3.08Å; D469-D471 VanDerWaalsContact C-N 3.3Å; D469-D471 WeakPolarHBondContact CB-OD1 3.34Å; D469-D471 PolarHBondContact O-N 3.41Å; D469-M472 HydrophobicContact CB-CB 4.04Å; D469-M472 HydrophobicContact CB-CG 3.75Å; D469-M472 PolarHBondContact O-N 2.76Å; D469-W473 WeakPolarHBondContact O-CB 3.49Å; D469-W473 PolarHBondContact O-N 3.18Å
470	W	98.4	Very high	97.9	Very high	15 Å²	15	55.1 Å²	55.1	6%	0.057	27%	0.27	C	S	.	.	H	α-helix	trans	-64.7	-36.2	-173.4	66.6	-87.6	0	0	0	111.9	Y367 M441 W446 W461 M474	Y367-W470 HydrophobicContact CD1-CD2 4.1Å; Y367-W470 HydrophobicContact CD1-CE3 4.3Å; Y367-W470 HydrophobicContact CD1-CH2 4.36Å; Y367-W470 HydrophobicContact CD1-CZ2 4.16Å; Y367-W470 HydrophobicContact CD1-CZ3 4.42Å; Y367-W470 AromaticContact CD2-CD1 3.73Å; Y367-W470 HydrophobicContact CD2-CD2 4.22Å; Y367-W470 AromaticContact CD2-CE2 3.87Å; Y367-W470 HydrophobicContact CD2-CG 4.17Å; Y367-W470 AromaticContact CD2-NE1 3.52Å; Y367-W470 HydrophobicContact CE1-CD2 4.24Å; Y367-W470 AromaticContact CE1-CE2 3.71Å; Y367-W470 HydrophobicContact CE1-CE3 4.48Å; Y367-W470 AromaticContact CE1-CH2 3.76Å; Y367-W470 HydrophobicContact CE1-CH2 3.76Å; Y367-W470 AromaticContact CE1-CZ2 3.46Å; Y367-W470 HydrophobicContact CE1-CZ2 3.46Å; Y367-W470 VanDerWaalsContact CE1-CZ2 3.46Å; Y367-W470 HydrophobicContact CE1-CZ3 4.25Å; Y367-W470 AromaticContact CE2-CD1 3.93Å; Y367-W470 HydrophobicContact CE2-CD2 4.36Å; Y367-W470 AromaticContact CE2-CE2 3.55Å; Y367-W470 AromaticContact CE2-CZ2 3.89Å; Y367-W470 HydrophobicContact CE2-CZ2 3.89Å; Y367-W470 AromaticContact CE2-NE1 3.23Å; Y367-W470 HydrophobicContact CG-CD2 4.08Å; Y367-W470 HydrophobicContact CG-CG 4.22Å; Y367-W470 AromaticContact CZ-CE2 3.46Å; Y367-W470 VanDerWaalsContact CZ-CE2 3.46Å; Y367-W470 AromaticContact CZ-CZ2 3.29Å; Y367-W470 AromaticContact CZ-NE1 3.65Å; Y367-W470 WeakPolarHBondContact OH-CZ2 3.45Å; M441-W470 HydrophobicContact CE-CE3 4.27Å; M441-W470 HydrophobicContact CE-CH2 3.91Å; M441-W470 HydrophobicContact CE-CZ3 3.46Å; M441-W470 VanDerWaalsContact CE-CZ3 3.46Å; W446-W470 HydrophobicContact CH2-CZ3 4.39Å; W446-W470 AromaticContact CZ2-CH2 3.87Å; W446-W470 HydrophobicContact CZ2-CH2 3.87Å; W446-W470 AromaticContact CZ2-CZ3 3.69Å; W446-W470 HydrophobicContact CZ2-CZ3 3.69Å; W446-W470 AromaticContact NE1-CH2 3.81Å; W461-W470 HydrophobicContact CZ2-CB 3.98Å; W470-M474 HydrophobicContact CE3-SD 3.69Å; W470-M474 HydrophobicContact CZ3-SD 3.71Å; W470-M474 WeakPolarHBondContact O-CG 3.39Å; W470-M474 PolarHBondContact O-N 3.5Å
471	D	97.6	Very high	97.9	Very high	29 Å²	29	57.1 Å²	57.1	16%	0.155	28%	0.278	C	S	.	.	H	α-helix	trans	-73.4	-44.1	-179.4	64.8	-36.3	0	0	0	110.9	M441 D469 W473 M474 R475	M441-D471 HydrophobicContact CE-CB 3.87Å; D469-D471 VanDerWaalsContact C-N 3.3Å; D469-D471 WeakPolarHBondContact CB-OD1 3.34Å; D469-D471 PolarHBondContact O-N 3.41Å; D471-W473 VanDerWaalsContact C-N 3.3Å; D471-W473 PolarHBondContact O-N 3.39Å; D471-M474 WeakPolarHBondContact O-CB 3.43Å; D471-M474 PolarHBondContact O-N 3.24Å; D471-M474 VanDerWaalsContact O-N 3.08Å; D471-R475 WeakPolarHBondContact O-CG 3.43Å; D471-R475 PolarHBondContact O-N 2.84Å; D471-R475 IonicContact OD2-CZ 2.81Å; D471-R475 IonicContact OD2-NH1 2.7Å; D471-R475 IonicContact OD2-NH2 3.6Å; D471-R475 PolarHBondContact OD2-NH2 2.98Å
472	M	97.7	Very high	97.8	Very high	85 Å²	85	59.4 Å²	59.4	42%	0.419	31%	0.305	S	S	.	.	H	α-helix	trans	-58.3	-44.7	172.4	-61.8	-61.3	162.2	0	0	110.7	D469 M474 R475 M476	D469-M472 HydrophobicContact CB-CB 4.04Å; D469-M472 HydrophobicContact CB-CG 3.75Å; D469-M472 PolarHBondContact O-N 2.76Å; M472-M474 VanDerWaalsContact C-N 3.33Å; M472-M474 PolarHBondContact O-N 3.45Å; M472-R475 PolarHBondContact O-N 3.42Å; M472-R475 VanDerWaalsContact O-N 3.16Å; M472-R475 PolarHBondContact SD-NH1 2.76Å; M472-M476 WeakPolarHBondContact O-CG 3.26Å; M472-M476 PolarHBondContact O-N 3.35Å
473	W	98.5	Very high	97.8	Very high	11 Å²	11	60.8 Å²	60.8	4%	0.042	31%	0.31	C	S	.	.	H	α-helix	trans	-59.9	-41	173.9	173.7	82.4	0	0	0	112.3	L457 K460 W461 P462 W468 D469 D471 R475 M476 Q479	L457-W473 HydrophobicContact CB-CH2 4.24Å; L457-W473 HydrophobicContact CB-CZ3 4.4Å; L457-W473 HydrophobicContact CD2-CH2 3.88Å; L457-W473 HydrophobicContact CD2-CZ3 3.93Å; K460-W473 HydrophobicContact CD-CZ2 4.46Å; K460-W473 HydrophobicContact CG-CH2 4.3Å; K460-W473 HydrophobicContact CG-CZ2 4.01Å; K460-W473 WeakPolarHBondContact O-CZ2 3.48Å; W461-W473 HydrophobicContact CD2-CZ3 4.4Å; W461-W473 HydrophobicContact CE3-CH2 4.42Å; W461-W473 AromaticContact CE3-CZ3 3.97Å; W461-W473 HydrophobicContact CE3-CZ3 3.97Å; W461-W473 HydrophobicContact CZ3-CZ3 4.23Å; P462-W473 HydrophobicContact CG-CB 4.31Å; P462-W473 HydrophobicContact CG-CD2 3.67Å; P462-W473 HydrophobicContact CG-CE3 4.28Å; P462-W473 HydrophobicContact CG-CG 3.62Å; P462-W473 HydrophobicContact CG-CZ2 4.46Å; W468-W473 AromaticContact CE3-CD1 3.7Å; W468-W473 HydrophobicContact CE3-CG 4.47Å; W468-W473 AromaticContact CZ3-CD1 3.79Å; D469-W473 WeakPolarHBondContact O-CB 3.49Å; D469-W473 PolarHBondContact O-N 3.18Å; D471-W473 VanDerWaalsContact C-N 3.3Å; D471-W473 PolarHBondContact O-N 3.39Å; W473-R475 VanDerWaalsContact C-N 3.29Å; W473-R475 PolarHBondContact O-N 2.96Å; W473-M476 HydrophobicContact CB-CE 4.39Å; W473-M476 HydrophobicContact CG-CE 4.02Å; W473-M476 PolarHBondContact O-N 3Å; W473-Q479 HydrophobicContact CD2-CG 3.93Å; W473-Q479 HydrophobicContact CE3-CG 4.14Å; W473-Q479 HydrophobicContact CH2-CG 3.81Å; W473-Q479 HydrophobicContact CZ2-CG 3.57Å; W473-Q479 VanDerWaalsContact CZ2-NE2 3.33Å; W473-Q479 HydrophobicContact CZ3-CG 4.09Å; W473-Q479 WeakPolarHBondContact O-CG 3.3Å; W473-Q479 PolarHBondContact O-OE1 2.96Å
474	M	98.6	Very high	97.9	Very high	2 Å²	2	58.6 Å²	58.6	1%	0.01	30%	0.296	C	S	.	.	H	α-helix	trans	-67.9	-25.3	176.6	-78.1	-173.9	63.6	0	0	113.8	Y415 M441 W446 L457 W470 D471 M472	Y415-M474 HydrophobicContact CE1-CE 4.01Å; Y415-M474 PolarHBondContact OH-O 2.66Å; M441-M474 HydrophobicContact CE-CB 3.8Å; M441-M474 HydrophobicContact CE-CE 4.06Å; M441-M474 HydrophobicContact CE-CG 4.43Å; M441-M474 HydrophobicContact CE-SD 3.93Å; M441-M474 HydrophobicContact CG-CE 4.31Å; W446-M474 HydrophobicContact CH2-CE 4Å; W446-M474 HydrophobicContact CH2-SD 4.37Å; W446-M474 HydrophobicContact CZ3-CE 4.15Å; L457-M474 HydrophobicContact CD1-CE 3.66Å; L457-M474 HydrophobicContact CD1-SD 4.24Å; W470-M474 HydrophobicContact CE3-SD 3.69Å; W470-M474 HydrophobicContact CZ3-SD 3.71Å; W470-M474 WeakPolarHBondContact O-CG 3.39Å; W470-M474 PolarHBondContact O-N 3.5Å; D471-M474 WeakPolarHBondContact O-CB 3.43Å; D471-M474 PolarHBondContact O-N 3.24Å; D471-M474 VanDerWaalsContact O-N 3.08Å; M472-M474 VanDerWaalsContact C-N 3.33Å; M472-M474 PolarHBondContact O-N 3.45Å
475	R	98.4	Very high	97.9	Very high	33 Å²	33	56.4 Å²	56.4	13%	0.125	28%	0.281	C	S	.	.	H	α-helix	trans	-78.5	-20.3	177.2	-70.1	174	-163.2	145.2	15.9	113.2	M441 D471 M472 W473 R480	M441-R475 HydrophobicContact CB-CG 4.01Å; M441-R475 PolarHBondContact O-NE 3.37Å; M441-R475 PolarHBondContact O-NH2 3.31Å; D471-R475 WeakPolarHBondContact O-CG 3.43Å; D471-R475 PolarHBondContact O-N 2.84Å; D471-R475 IonicContact OD2-CZ 2.81Å; D471-R475 IonicContact OD2-NH1 2.7Å; D471-R475 IonicContact OD2-NH2 3.6Å; D471-R475 PolarHBondContact OD2-NH2 2.98Å; M472-R475 PolarHBondContact O-N 3.42Å; M472-R475 VanDerWaalsContact O-N 3.16Å; M472-R475 PolarHBondContact SD-NH1 2.76Å; W473-R475 VanDerWaalsContact C-N 3.29Å; W473-R475 PolarHBondContact O-N 2.96Å; R475-R480 PolarHBondContact O-NE 3.43Å
476	M	97.8	Very high	98	Very high	67 Å²	67	49.7 Å²	49.7	33%	0.33	25%	0.25	S	C	.	.	S	Bend	trans	-61.4	148.3	-178.9	-60.5	-170.5	-49	0	0	112	M472 W473 E478 Q479 R480	M472-M476 WeakPolarHBondContact O-CG 3.26Å; M472-M476 PolarHBondContact O-N 3.35Å; W473-M476 HydrophobicContact CB-CE 4.39Å; W473-M476 HydrophobicContact CG-CE 4.02Å; W473-M476 PolarHBondContact O-N 3Å; M476-E478 WeakPolarHBondContact CB-OE2 3.4Å; M476-E478 PolarHBondContact O-N 3.4Å; M476-E478 VanDerWaalsContact O-N 3.15Å; M476-Q479 PolarHBondContact O-N 2.81Å; M476-Q479 VanDerWaalsContact O-N 3.08Å; M476-R480 PolarHBondContact O-N 3.19Å
477	P	97.5	Very high	98.1	Very high	91 Å²	91	46.2 Å²	46.2	59%	0.591	24%	0.235	S	C	*	.	H	α-helix	trans	-55.6	-32.8	-176.6	-27.3	36.1	0	0	0	114.5	Q479 K481	P477-Q479 VanDerWaalsContact C-N 3.26Å; P477-Q479 PolarHBondContact O-N 3.11Å; P477-K481 VanDerWaalsContact O-CA 3.29Å; P477-K481 WeakPolarHBondContact O-CA 3.03Å; P477-K481 PolarHBondContact O-N 3.18Å
478	E	98.1	Very high	98.2	Very high	118 Å²	118	41.4 Å²	41.4	55%	0.551	21%	0.209	S	C	*	.	H	α-helix	trans	-68.7	-24.2	-178.5	-58.4	76.6	-169.2	0	0	113	K460 M476	K460-E478 PolarHBondContact NZ-O 3.11Å; M476-E478 WeakPolarHBondContact CB-OE2 3.4Å; M476-E478 PolarHBondContact O-N 3.4Å; M476-E478 VanDerWaalsContact O-N 3.15Å
479	Q	98.4	Very high	98.3	Very high	12 Å²	12	36 Å²	36	6%	0.056	19%	0.189	C	C	.	.	H	α-helix	trans	-95.5	-57.1	176.9	-76.7	61.6	39.9	0	0	109.7	L457 W473 M476 P477 K481 R483	L457-Q479 HydrophobicContact CD2-CB 4.26Å; L457-Q479 HydrophobicContact CD2-CG 4.09Å; W473-Q479 HydrophobicContact CD2-CG 3.93Å; W473-Q479 HydrophobicContact CE3-CG 4.14Å; W473-Q479 HydrophobicContact CH2-CG 3.81Å; W473-Q479 HydrophobicContact CZ2-CG 3.57Å; W473-Q479 VanDerWaalsContact CZ2-NE2 3.33Å; W473-Q479 HydrophobicContact CZ3-CG 4.09Å; W473-Q479 WeakPolarHBondContact O-CG 3.3Å; W473-Q479 PolarHBondContact O-OE1 2.96Å; M476-Q479 PolarHBondContact O-N 2.81Å; M476-Q479 VanDerWaalsContact O-N 3.08Å; P477-Q479 VanDerWaalsContact C-N 3.26Å; P477-Q479 PolarHBondContact O-N 3.11Å; Q479-K481 VanDerWaalsContact C-N 3.32Å; Q479-K481 PolarHBondContact O-N 3.46Å; Q479-R483 PolarHBondContact O-NH2 3.47Å
480	R	98.3	Very high	98.4	Very high	25 Å²	25	34 Å²	34	9%	0.094	18%	0.179	C	C	.	.	H	α-helix	trans	-66.8	-32.6	-174.8	-171.1	169.9	61.6	86.5	-9.2	112.6	Y415 E439 R475 M476 G482 R483	Y415-R480 HydrophobicContact CD1-CG 4.24Å; Y415-R480 HydrophobicContact CE1-CG 4.5Å; Y415-R480 HydrophobicContact CG-CG 4.45Å; E439-R480 PolarHBondContact O-NH1 3Å; E439-R480 PolarHBondContact O-NH2 2.74Å; R475-R480 PolarHBondContact O-NE 3.43Å; M476-R480 PolarHBondContact O-N 3.19Å; R480-G482 PolarHBondContact O-N 2.61Å; R480-R483 WeakPolarHBondContact CD-O 3.31Å; R480-R483 WeakPolarHBondContact CG-O 3.01Å; R480-R483 PolarHBondContact NH1-O 3.11Å; R480-R483 VanDerWaalsContact O-CB 3.26Å; R480-R483 WeakPolarHBondContact O-CB 3.27Å; R480-R483 WeakPolarHBondContact O-CG 3.29Å; R480-R483 PolarHBondContact O-N 2.89Å; R480-R483 PolarHBondContact O-NE 2.78Å
481	K	98.3	Very high	98.4	Very high	122 Å²	122	33.3 Å²	33.3	53%	0.53	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	38.6	177.3	-61.7	176.2	179.7	169.2	0	113.5	E456 P477 Q479 R483	E456-K481 WeakPolarHBondContact OE2-CE 3.35Å; E456-K481 IonicContact OE2-NZ 2.67Å; E456-K481 PolarHBondContact OE2-NZ 3.06Å; P477-K481 VanDerWaalsContact O-CA 3.29Å; P477-K481 WeakPolarHBondContact O-CA 3.03Å; P477-K481 PolarHBondContact O-N 3.18Å; Q479-K481 VanDerWaalsContact C-N 3.32Å; Q479-K481 PolarHBondContact O-N 3.46Å; K481-R483 PolarHBondContact O-N 3.18Å
482	G	97.8	Very high	98.5	Very high	57 Å²	57	32 Å²	32	59%	0.588	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.5	8.6	-179	0	0	0	0	0	115.1	R480	R480-G482 PolarHBondContact O-N 2.61Å
483	R	98.8	Very high	98.5	Very high	29 Å²	29	28 Å²	28	11%	0.109	15%	0.149	C	C	.	.			trans	-73.5	163.5	171.1	-64.3	173.2	-76.2	-160.1	-6.1	111.1	S413 Y415 E456 Q479 R480 K481	S413-R483 WeakPolarHBondContact O-CA 3.4Å; S413-R483 VanDerWaalsContact O-CB 3.23Å; S413-R483 WeakPolarHBondContact O-CB 3.31Å; Y415-R483 HydrophobicContact CD2-CB 4.42Å; Y415-R483 HydrophobicContact CG-CB 4.38Å; E456-R483 IonicContact OE1-CZ 2.84Å; E456-R483 IonicContact OE1-NH1 3.87Å; E456-R483 PolarHBondContact OE1-NH1 2.83Å; E456-R483 IonicContact OE1-NH2 2.87Å; E456-R483 PolarHBondContact OE1-NH2 2.94Å; E456-R483 IonicContact OE2-CZ 3.43Å; E456-R483 IonicContact OE2-NH1 2.76Å; E456-R483 IonicContact OE2-NH2 3.38Å; E456-R483 PolarHBondContact OE2-NH2 3.45Å; Q479-R483 PolarHBondContact O-NH2 3.47Å; R480-R483 WeakPolarHBondContact CD-O 3.31Å; R480-R483 WeakPolarHBondContact CG-O 3.01Å; R480-R483 PolarHBondContact NH1-O 3.11Å; R480-R483 VanDerWaalsContact O-CB 3.26Å; R480-R483 WeakPolarHBondContact O-CB 3.27Å; R480-R483 WeakPolarHBondContact O-CG 3.29Å; R480-R483 PolarHBondContact O-N 2.89Å; R480-R483 PolarHBondContact O-NE 2.78Å; K481-R483 PolarHBondContact O-N 3.18Å
484	E	98.9	Very high	98.5	Very high	12 Å²	12	29.4 Å²	29.4	6%	0.056	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	159.8	-173.8	-61.9	-178.4	101.4	0	0	111.5	S413 L414 Y415 R437 V438 E439 H603	S413-E484 PolarHBondContact O-N 2.9Å; L414-E484 CarbonylContact C-O 3.57Å; L414-E484 VanDerWaalsContact CA-O 3.29Å; L414-E484 WeakPolarHBondContact CA-O 3.33Å; Y415-E484 PolarHBondContact N-O 2.77Å; R437-E484 IonicContact CZ-OE2 3.03Å; R437-E484 VanDerWaalsContact CZ-OE2 3.26Å; R437-E484 IonicContact NE-OE2 3.36Å; R437-E484 PolarHBondContact NE-OE2 3.38Å; R437-E484 IonicContact NH2-OE2 2.83Å; R437-E484 PolarHBondContact NH2-OE2 3.14Å; V438-E484 CarbonylContact O-C 3.56Å; V438-E484 VanDerWaalsContact O-CA 3.23Å; V438-E484 WeakPolarHBondContact O-CA 3.41Å; V438-E484 VanDerWaalsContact O-CB 3.28Å; V438-E484 WeakPolarHBondContact O-CB 3.29Å; E439-E484 HydrophobicContact CG-CG 3.93Å; E484-H603 IonicContact OE1-CE1 3.93Å; E484-H603 IonicContact OE1-CG 3.23Å; E484-H603 IonicContact OE1-ND1 3.56Å; E484-H603 PolarHBondContact OE1-ND1 3.48Å; E484-H603 IonicContact OE2-ND1 3.22Å
485	C	98.9	Very high	98.5	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	152.1	170.9	-66.9	0	0	0	0	112.1	C416 R437 V438 S440	C416-C485 VanDerWaalsContact CA-SG 3.56Å; C416-C485 HydrophobicContact CB-CB 4.24Å; C416-C485 WeakPolarHBondContact CB-SG 3.37Å; C416-C485 PolarHBondContact N-SG 3.21Å; C416-C485 CarbonylContact O-C 3.58Å; C416-C485 WeakPolarHBondContact O-CA 3.35Å; C416-C485 WeakPolarHBondContact O-CB 3.38Å; C416-C485 WeakPolarHBondContact SG-CB 3.25Å; C416-C485 CovalentContact SG-SG 2.03Å; C416-C485 PolarHBondContact SG-SG 3.27Å; R437-C485 WeakPolarHBondContact CA-O 3.13Å; V438-C485 PolarHBondContact N-O 2.93Å; V438-C485 PolarHBondContact O-N 2.96Å; S440-C485 PolarHBondContact O-SG 3.37Å
486	I	98.9	Very high	98.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	133.5	166.7	-56.4	-50.1	0	0	0	109.3	L407 L414 C416 I417 S418 L435 Y436 R437 L531	L407-I486 HydrophobicContact CD1-CG1 4.38Å; L414-I486 HydrophobicContact CD1-CD1 4.16Å; L414-I486 HydrophobicContact CD1-CG1 3.96Å; L414-I486 HydrophobicContact CD2-CD1 3.52Å; L414-I486 HydrophobicContact CD2-CG1 3.86Å; C416-I486 PolarHBondContact O-N 3.35Å; I417-I486 HydrophobicContact CG1-CB 4.15Å; I417-I486 HydrophobicContact CG1-CG1 4.4Å; I417-I486 HydrophobicContact CG2-CB 4.46Å; S418-I486 PolarHBondContact N-O 2.81Å; L435-I486 HydrophobicContact CB-CG2 4.44Å; Y436-I486 VanDerWaalsContact O-CA 3.29Å; Y436-I486 WeakPolarHBondContact O-CA 3.27Å; R437-I486 HydrophobicContact CG-CD1 3.71Å; I486-L531 HydrophobicContact CD1-CB 3.94Å; I486-L531 HydrophobicContact CD1-CD1 3.79Å; I486-L531 HydrophobicContact CD1-CG 4.44Å; I486-L531 HydrophobicContact CG1-CD1 4.21Å; I486-L531 HydrophobicContact CG2-CD1 3.57Å
487	I	98.9	Very high	98.1	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	151.1	170.9	62	170.3	0	0	0	110.5	W420 N421 L435 Y436 V438 P442	W420-I487 VanDerWaalsContact O-CG2 3.29Å; W420-I487 WeakPolarHBondContact O-CG2 3.36Å; N421-I487 HydrophobicContact CB-CD1 4.18Å; L435-I487 CarbonylContact C-O 3.57Å; L435-I487 WeakPolarHBondContact CA-O 3.44Å; Y436-I487 HydrophobicContact CD2-CD1 4.14Å; Y436-I487 HydrophobicContact CD2-CG1 4.1Å; Y436-I487 HydrophobicContact CG-CG1 4.46Å; Y436-I487 PolarHBondContact N-O 3.08Å; Y436-I487 PolarHBondContact O-N 2.95Å; V438-I487 HydrophobicContact CB-CD1 4.46Å; V438-I487 HydrophobicContact CG1-CD1 3.55Å; V438-I487 HydrophobicContact CG1-CG1 4.02Å; V438-I487 HydrophobicContact CG2-CD1 4.05Å; V438-I487 HydrophobicContact CG2-CG1 4.19Å; V438-I487 HydrophobicContact CG2-CG2 3.97Å; P442-I487 HydrophobicContact CG-CG2 3.85Å
488	P	98.9	Very high	97.6	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	161.3	167.8	35.3	-36.8	0	0	0	111.5	F400 S418 N421 L435 V490 R492	F400-P488 HydrophobicContact CE2-CB 4.34Å; F400-P488 HydrophobicContact CZ-CG 4.48Å; S418-P488 WeakPolarHBondContact O-CD 3.34Å; N421-P488 WeakPolarHBondContact CB-O 3.34Å; L435-P488 HydrophobicContact CD2-CB 4Å; P488-V490 WeakPolarHBondContact CB-O 3.44Å; P488-V490 WeakPolarHBondContact CG-O 3.19Å; P488-R492 HydrophobicContact CG-CG 4.33Å
489	D	98.9	Very high	96.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	-67.8	-50.4	169.1	179.3	57.7	0	0	0	111.4	N421 A429 E430 D431 L434 Y436 F610	N421-D489 PolarHBondContact ND2-O 2.96Å; A429-D489 VanDerWaalsContact CB-O 3.29Å; A429-D489 WeakPolarHBondContact CB-O 3.45Å; E430-D489 PolarHBondContact N-OD2 3.06Å; D431-D489 PolarHBondContact N-OD2 3Å; L434-D489 HydrophobicContact CB-CB 3.99Å; L434-D489 HydrophobicContact CD2-CB 4.29Å; L434-D489 HydrophobicContact CG-CB 4.23Å; L434-D489 PolarHBondContact O-N 2.82Å; Y436-D489 HydrophobicContact CE2-CB 3.72Å; Y436-D489 WeakPolarHBondContact CE2-OD1 3.23Å; Y436-D489 WeakPolarHBondContact OH-CB 3.47Å; Y436-D489 PolarHBondContact OH-OD1 3.05Å; D489-F610 WeakPolarHBondContact OD2-CE2 3.46Å
490	V	98.9	Very high	96	Very high	6 Å²	6	25.8 Å²	25.8	4%	0.036	14%	0.143	C	C	.	.	S	Bend	trans	-94	120.4	172.7	-175.5	0	0	0	0	109.8	A429 P488 R492 K516 N518	A429-V490 HydrophobicContact CB-CG2 4.26Å; P488-V490 WeakPolarHBondContact CB-O 3.44Å; P488-V490 WeakPolarHBondContact CG-O 3.19Å; V490-R492 PolarHBondContact O-NH1 3.34Å; V490-K516 HydrophobicContact CG1-CB 4.48Å; V490-K516 HydrophobicContact CG1-CD 4.4Å; V490-K516 HydrophobicContact CG1-CG 4.05Å; V490-K516 HydrophobicContact CG2-CD 4.31Å; V490-N518 HydrophobicContact CG1-CB 3.86Å
491	S	98.9	Very high	95.2	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-61	145.7	-176	-61.1	0	0	0	0	113.3	A419 N421 S493 K516 N518	A419-S491 CarbonylContact O-C 3.59Å; A419-S491 VanDerWaalsContact O-CA 3.23Å; A419-S491 WeakPolarHBondContact O-CA 3.5Å; A419-S491 WeakPolarHBondContact O-CB 3.47Å; N421-S491 PolarHBondContact N-OG 2.94Å; S491-S493 WeakPolarHBondContact CB-O 3.2Å; S491-K516 WeakPolarHBondContact CB-O 3.32Å; S491-N518 PolarHBondContact O-N 3.41Å
492	R	98.9	Very high	94.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	-102.2	4.9	174.6	-54.4	-46.3	-156.5	-94.2	-0.5	113.5	S394 D396 F397 F400 A419 P432 P488 V490 N518	S394-R492 WeakPolarHBondContact CB-O 3.44Å; S394-R492 PolarHBondContact N-O 3.14Å; D396-R492 VanDerWaalsContact CG-NE 3.28Å; D396-R492 WeakPolarHBondContact OD1-CD 3.43Å; D396-R492 IonicContact OD1-CZ 3.69Å; D396-R492 IonicContact OD1-NE 2.89Å; D396-R492 PolarHBondContact OD1-NE 2.95Å; D396-R492 IonicContact OD2-CZ 3.94Å; D396-R492 IonicContact OD2-NE 3.62Å; D396-R492 PolarHBondContact OD2-NE 2.98Å; D396-R492 IonicContact OD2-NH2 3.97Å; D396-R492 PolarHBondContact OD2-NH2 3.39Å; F397-R492 HydrophobicContact CD2-CB 4.09Å; F400-R492 HydrophobicContact CB-CG 4.26Å; F400-R492 HydrophobicContact CD1-CG 4.15Å; F400-R492 HydrophobicContact CG-CG 4.15Å; A419-R492 HydrophobicContact CB-CB 3.86Å; A419-R492 PolarHBondContact O-N 3.29Å; P432-R492 PolarHBondContact O-NH1 3.01Å; P432-R492 PolarHBondContact O-NH2 3.43Å; P488-R492 HydrophobicContact CG-CG 4.33Å; V490-R492 PolarHBondContact O-NH1 3.34Å; R492-N518 VanDerWaalsContact CD-CB 3.48Å; R492-N518 PolarHBondContact NE-ND2 3.27Å
493	S	98.9	Very high	94	Very high	1 Å²	1	27 Å²	27	1%	0.007	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	150.8	168.6	55.8	0	0	0	0	109.8	D392 L444 S491	D392-S493 CarbonylContact O-C 3.56Å; D392-S493 VanDerWaalsContact O-CA 3.29Å; D392-S493 WeakPolarHBondContact O-CA 3.21Å; L444-S493 VanDerWaalsContact O-CB 3.31Å; L444-S493 WeakPolarHBondContact O-CB 3.45Å; L444-S493 PolarHBondContact O-OG 2.84Å; S491-S493 WeakPolarHBondContact CB-O 3.2Å
494	Y	98.8	Very high	93.3	Very high	41 Å²	41	29.8 Å²	29.8	16%	0.161	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	123.4	172.7	173.9	-94.4	0	0	0	110.2	L391 D392 F496 F517	L391-Y494 CarbonylContact C-O 3.54Å; L391-Y494 WeakPolarHBondContact CA-O 3.28Å; D392-Y494 PolarHBondContact N-O 3.23Å; D392-Y494 PolarHBondContact O-N 2.92Å; Y494-F496 HydrophobicContact CD1-CB 4.19Å; Y494-F496 HydrophobicContact CE1-CB 3.91Å; Y494-F496 PolarHBondContact O-N 3.14Å; Y494-F517 HydrophobicContact CD2-CB 4.45Å
495	H	98.1	Very high	92.2	Very high	14 Å²	14	31.1 Å²	31.1	7%	0.065	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	112.7	-178.7	-179.9	-82	0	0	0	111.1	D390 L391 W420 G497 H508 F512	D390-H495 WeakPolarHBondContact O-CA 3.27Å; D390-H495 IonicContact OD2-NE2 3.91Å; L391-H495 HydrophobicContact CD2-CB 4.05Å; W420-H495 HydrophobicContact CH2-CB 4.44Å; H495-G497 PolarHBondContact CE1-O 3.21Å; H495-H508 AromaticContact ND1-CD2 3.92Å; H495-H508 PolarHBondContact O-NE2 2.95Å; H495-F512 HydrophobicContact CB-CD1 3.9Å; H495-F512 HydrophobicContact CB-CE1 4.35Å; H495-F512 AromaticContact ND1-CD1 3.96Å
496	F	95.6	Very high	91.5	Very high	11 Å²	11	39.3 Å²	39.3	5%	0.048	21%	0.209	C	C	.	.			trans	-105.5	-2.8	-179.5	62.5	-108	0	0	0	113.8	Y309 R312 M313 D390 L391 D392 Y494 I498	Y309-F496 HydrophobicContact CD1-CD2 4.45Å; Y309-F496 AromaticContact CD1-CE2 3.96Å; Y309-F496 HydrophobicContact CD1-CE2 3.96Å; Y309-F496 HydrophobicContact CD2-CE2 4.29Å; Y309-F496 HydrophobicContact CG-CD2 4.48Å; Y309-F496 AromaticContact CG-CE2 3.77Å; Y309-F496 HydrophobicContact CG-CE2 3.77Å; R312-F496 HydrophobicContact CB-CE1 4.46Å; R312-F496 HydrophobicContact CB-CZ 4Å; R312-F496 HydrophobicContact CG-CD1 4.5Å; R312-F496 HydrophobicContact CG-CE1 3.82Å; R312-F496 HydrophobicContact CG-CE2 4.47Å; R312-F496 HydrophobicContact CG-CZ 3.84Å; M313-F496 HydrophobicContact CB-CZ 4.27Å; D390-F496 HydrophobicContact CB-CE2 4.2Å; D390-F496 WeakPolarHBondContact O-CD1 3.34Å; D390-F496 PolarHBondContact O-N 3.14Å; L391-F496 WeakPolarHBondContact O-CE1 3.45Å; D392-F496 HydrophobicContact CB-CD1 4.37Å; D392-F496 WeakPolarHBondContact OD1-CE1 3.36Å; Y494-F496 HydrophobicContact CD1-CB 4.19Å; Y494-F496 HydrophobicContact CE1-CB 3.91Å; Y494-F496 PolarHBondContact O-N 3.14Å; F496-I498 PolarHBondContact O-N 3.5Å; F496-I498 VanDerWaalsContact O-N 3.17Å
497	G	91.2	Very high	90.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.22	C	C	.	.			trans	-64.7	114.1	-179	0	0	0	0	0	111.1	H495 M503 H508	H495-G497 PolarHBondContact CE1-O 3.21Å; G497-M503 WeakPolarHBondContact O-CG 3.21Å; G497-H508 PolarHBondContact O-CD2 3.27Å
498	I	86.7	Confident	90.6	Very high	77 Å²	77	42.3 Å²	42.3	40%	0.395	22%	0.222	S	C	.	.			trans	-97.2	-32.4	175.8	-63.6	168.8	0	0	0	110.5	Y309 F496 M503 N504 H508	Y309-I498 PolarHBondContact OH-N 3.17Å; F496-I498 PolarHBondContact O-N 3.5Å; F496-I498 VanDerWaalsContact O-N 3.17Å; I498-M503 CarbonylContact O-C 3.48Å; I498-M503 WeakPolarHBondContact O-CG 3.44Å; I498-N504 WeakPolarHBondContact O-CA 3.18Å; I498-H508 HydrophobicContact CG1-CB 4.2Å
499	I	80.9	Confident	90	Very high	115 Å²	115	46.8 Å²	46.8	59%	0.59	24%	0.243	S	C	*	.	S	Bend	trans	-104.3	116.7	176.1	-57.3	172	0	0	0	108.1	R306 Y309	R306-I499 PolarHBondContact NH1-O 2.98Å; Y309-I499 PolarHBondContact OH-N 3.23Å
500	G	82.6	Confident	89.6	Confident	31 Å²	31	49.7 Å²	49.7	32%	0.32	26%	0.26	S	S	.	.	B	Isolated β-bridge	trans	-165.1	178.5	-178.6	0	0	0	0	0	111.8	N502 M503	G500-N502 VanDerWaalsContact C-N 3.32Å; G500-N502 PolarHBondContact O-N 3.11Å; G500-M503 PolarHBondContact O-N 3.21Å
501	L	81.8	Confident	89.5	Confident	93 Å²	93	50.9 Å²	50.9	49%	0.487	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-40.6	-173.7	-177.8	60.7	0	0	0	113.4	K359 N360 V363	K359-L501 HydrophobicContact CB-CD1 4.5Å; N360-L501 HydrophobicContact CB-CD2 4.25Å; N360-L501 VanDerWaalsContact OD1-CD2 3.27Å; N360-L501 WeakPolarHBondContact OD1-CD2 3.42Å; V363-L501 HydrophobicContact CG2-CD2 3.83Å
502	N	82.9	Confident	89.3	Confident	105 Å²	105	51.6 Å²	51.6	56%	0.561	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.1	19.5	-178.8	-61.8	-38.6	0	0	0	112.1	G500	G500-N502 VanDerWaalsContact C-N 3.32Å; G500-N502 PolarHBondContact O-N 3.11Å
503	M	86.8	Confident	89.1	Confident	32 Å²	32	56.6 Å²	56.6	16%	0.158	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-121.4	141.2	-170.2	-170.2	56.2	69.3	0	0	111.3	G497 I498 G500 F507 H508 F512	G497-M503 WeakPolarHBondContact O-CG 3.21Å; I498-M503 CarbonylContact O-C 3.48Å; I498-M503 WeakPolarHBondContact O-CG 3.44Å; G500-M503 PolarHBondContact O-N 3.21Å; M503-F507 HydrophobicContact CE-CD1 3.85Å; M503-F507 HydrophobicContact CE-CE1 4.13Å; M503-F507 HydrophobicContact SD-CB 4.38Å; M503-F507 HydrophobicContact SD-CD1 3.61Å; M503-F507 HydrophobicContact SD-CE1 4.46Å; M503-F507 HydrophobicContact SD-CG 4.47Å; M503-H508 HydrophobicContact SD-CB 3.89Å; M503-F512 HydrophobicContact CE-CD2 3.82Å; M503-F512 HydrophobicContact CE-CE2 3.47Å; M503-F512 VanDerWaalsContact CE-CE2 3.47Å; M503-F512 HydrophobicContact CE-CZ 3.93Å; M503-F512 HydrophobicContact SD-CD2 4.39Å; M503-F512 HydrophobicContact SD-CE2 4.46Å
504	N	85.2	Confident	89.1	Confident	86 Å²	86	62.5 Å²	62.5	46%	0.46	32%	0.315	S	S	.	.			trans	-144.2	168	173	66.1	63.3	0	0	0	110.6	I498 Y506 F507 H508	I498-N504 WeakPolarHBondContact O-CA 3.18Å; N504-Y506 PolarHBondContact O-N 3.02Å; N504-Y506 PolarHBondContact OD1-N 3.32Å; N504-F507 PolarHBondContact O-N 2.95Å; N504-F507 WeakPolarHBondContact OD1-CB 3.15Å; N504-F507 PolarHBondContact OD1-N 2.86Å; N504-H508 PolarHBondContact O-N 2.9Å
505	G	76.6	Confident	89.1	Confident	40 Å²	40	60.8 Å²	60.8	41%	0.412	31%	0.308	S	S	.	.	H	α-helix	trans	-53.4	-48.2	-176.7	0	0	0	0	0	114.6	H508 E509	G505-H508 PolarHBondContact O-N 2.93Å; G505-E509 WeakPolarHBondContact O-CB 3.34Å; G505-E509 PolarHBondContact O-N 2.53Å
506	Y	83	Confident	89.1	Confident	173 Å²	173	62.5 Å²	62.5	68%	0.678	32%	0.315	S	S	*	.	H	α-helix	trans	-65	-45.5	-179.7	178.2	-101.7	0	0	0	111.7	N504 H508 E509 V510	N504-Y506 PolarHBondContact O-N 3.02Å; N504-Y506 PolarHBondContact OD1-N 3.32Å; Y506-H508 VanDerWaalsContact C-N 3.34Å; Y506-H508 PolarHBondContact O-N 2.71Å; Y506-E509 PolarHBondContact O-N 3.05Å; Y506-V510 HydrophobicContact CD1-CG2 4.23Å; Y506-V510 HydrophobicContact CD2-CG2 4.17Å; Y506-V510 HydrophobicContact CE1-CG2 3.87Å; Y506-V510 HydrophobicContact CE2-CG2 3.8Å; Y506-V510 HydrophobicContact CG-CG2 4.37Å; Y506-V510 WeakPolarHBondContact O-CG2 3.45Å; Y506-V510 PolarHBondContact O-N 2.83Å
507	F	86.7	Confident	89.2	Confident	53 Å²	53	64.8 Å²	64.8	23%	0.232	33%	0.326	C	S	.	.	H	α-helix	trans	-62.8	-41.3	179.6	-166.9	-102	0	0	0	112.2	M503 N504 Y511 F512 W595 L597	M503-F507 HydrophobicContact CE-CD1 3.85Å; M503-F507 HydrophobicContact CE-CE1 4.13Å; M503-F507 HydrophobicContact SD-CB 4.38Å; M503-F507 HydrophobicContact SD-CD1 3.61Å; M503-F507 HydrophobicContact SD-CE1 4.46Å; M503-F507 HydrophobicContact SD-CG 4.47Å; N504-F507 PolarHBondContact O-N 2.95Å; N504-F507 WeakPolarHBondContact OD1-CB 3.15Å; N504-F507 PolarHBondContact OD1-N 2.86Å; F507-Y511 AromaticContact CD2-CD2 3.88Å; F507-Y511 HydrophobicContact CD2-CD2 3.88Å; F507-Y511 HydrophobicContact CD2-CE2 4.18Å; F507-Y511 AromaticContact CE2-CD2 3.8Å; F507-Y511 HydrophobicContact CE2-CD2 3.8Å; F507-Y511 HydrophobicContact CE2-CE2 4Å; F507-Y511 HydrophobicContact CG-CD2 4.39Å; F507-Y511 HydrophobicContact CZ-CD2 4.23Å; F507-Y511 PolarHBondContact O-N 3.21Å; F507-F512 HydrophobicContact CD1-CD2 4.49Å; F507-F512 HydrophobicContact CD1-CE2 4.01Å; F507-F512 AromaticContact CE1-CE2 3.7Å; F507-F512 HydrophobicContact CE1-CE2 3.7Å; F507-W595 HydrophobicContact CZ-CH2 4.06Å; F507-W595 HydrophobicContact CZ-CZ3 4.43Å; F507-L597 HydrophobicContact CE2-CD1 3.29Å; F507-L597 HydrophobicContact CZ-CD1 3.38Å
508	H	91.7	Very high	89.6	Confident	11 Å²	11	65.1 Å²	65.1	5%	0.051	33%	0.327	C	S	.	.	H	α-helix	trans	-63.3	-45.9	175.1	-173.9	-84.2	0	0	0	111.7	H495 G497 I498 M503 N504 G505 Y506 V510 F512 K513	H495-H508 AromaticContact ND1-CD2 3.92Å; H495-H508 PolarHBondContact O-NE2 2.95Å; G497-H508 PolarHBondContact O-CD2 3.27Å; I498-H508 HydrophobicContact CG1-CB 4.2Å; M503-H508 HydrophobicContact SD-CB 3.89Å; N504-H508 PolarHBondContact O-N 2.9Å; G505-H508 PolarHBondContact O-N 2.93Å; Y506-H508 VanDerWaalsContact C-N 3.34Å; Y506-H508 PolarHBondContact O-N 2.71Å; H508-V510 PolarHBondContact O-N 2.89Å; H508-F512 WeakPolarHBondContact O-CA 3.23Å; H508-F512 WeakPolarHBondContact O-CB 3.26Å; H508-F512 PolarHBondContact O-N 2.96Å; H508-K513 PolarHBondContact O-N 3.04Å
509	E	87.7	Confident	90.2	Very high	94 Å²	94	66.5 Å²	66.5	44%	0.439	34%	0.34	S	S	.	.	H	α-helix	trans	-62.9	-41.4	-179.5	176.6	154	-135	0	0	112.9	G505 Y506 K513	G505-E509 WeakPolarHBondContact O-CB 3.34Å; G505-E509 PolarHBondContact O-N 2.53Å; Y506-E509 PolarHBondContact O-N 3.05Å; E509-K513 HydrophobicContact CB-CD 4.4Å; E509-K513 HydrophobicContact CG-CD 3.94Å; E509-K513 IonicContact OE1-NZ 2.84Å; E509-K513 PolarHBondContact OE1-NZ 3.21Å
510	V	90.9	Very high	91	Very high	60 Å²	60	65.3 Å²	65.3	36%	0.364	33%	0.333	S	S	.	.	H	α-helix	trans	-71.2	-47.8	-178.8	174.8	0	0	0	0	110.9	Y506 H508	Y506-V510 HydrophobicContact CD1-CG2 4.23Å; Y506-V510 HydrophobicContact CD2-CG2 4.17Å; Y506-V510 HydrophobicContact CE1-CG2 3.87Å; Y506-V510 HydrophobicContact CE2-CG2 3.8Å; Y506-V510 HydrophobicContact CG-CG2 4.37Å; Y506-V510 WeakPolarHBondContact O-CG2 3.45Å; Y506-V510 PolarHBondContact O-N 2.83Å; H508-V510 PolarHBondContact O-N 2.89Å
511	Y	95.6	Very high	91.7	Very high	32 Å²	32	67 Å²	67	13%	0.125	34%	0.338	C	S	.	.	H	α-helix	trans	-105.4	-26.3	-167.5	-69.2	-70.7	0	0	0	115.1	Y425 F507 H515 W595 D596 L597	Y425-Y511 WeakPolarHBondContact CE1-O 3.47Å; Y425-Y511 PolarHBondContact OH-O 3.03Å; F507-Y511 AromaticContact CD2-CD2 3.88Å; F507-Y511 HydrophobicContact CD2-CD2 3.88Å; F507-Y511 HydrophobicContact CD2-CE2 4.18Å; F507-Y511 AromaticContact CE2-CD2 3.8Å; F507-Y511 HydrophobicContact CE2-CD2 3.8Å; F507-Y511 HydrophobicContact CE2-CE2 4Å; F507-Y511 HydrophobicContact CG-CD2 4.39Å; F507-Y511 HydrophobicContact CZ-CD2 4.23Å; F507-Y511 PolarHBondContact O-N 3.21Å; Y511-H515 PolarHBondContact O-CE1 3.27Å; Y511-H515 PolarHBondContact O-ND1 3.43Å; Y511-W595 HydrophobicContact CD1-CE3 4.01Å; Y511-W595 HydrophobicContact CD1-CZ3 4.43Å; Y511-W595 HydrophobicContact CG-CE3 4.24Å; Y511-W595 HydrophobicContact CG-CZ3 4.23Å; Y511-D596 WeakPolarHBondContact CE1-OD1 3.21Å; Y511-D596 VanDerWaalsContact CZ-OD1 3.26Å; Y511-D596 PolarHBondContact OH-OD1 2.97Å; Y511-L597 HydrophobicContact CD2-CD1 4.12Å; Y511-L597 HydrophobicContact CE1-CD1 4.44Å; Y511-L597 HydrophobicContact CE1-CG 4.21Å; Y511-L597 HydrophobicContact CE2-CD1 3.79Å; Y511-L597 HydrophobicContact CE2-CD2 4.15Å; Y511-L597 HydrophobicContact CE2-CG 4.09Å; Y511-L597 WeakPolarHBondContact OH-CD2 3.5Å
512	F	95.6	Very high	92.2	Very high	15 Å²	15	65.3 Å²	65.3	7%	0.066	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	-35.7	-170.9	-69.2	-89.5	0	0	0	113.8	W420 H495 M503 F507 H508 K514 H515 W595	W420-F512 AromaticContact CH2-CD1 3.89Å; W420-F512 HydrophobicContact CH2-CD1 3.89Å; W420-F512 HydrophobicContact CH2-CE1 4.29Å; W420-F512 AromaticContact CZ2-CD1 3.88Å; W420-F512 HydrophobicContact CZ2-CD1 3.88Å; W420-F512 AromaticContact CZ2-CE1 3.88Å; W420-F512 HydrophobicContact CZ2-CE1 3.88Å; H495-F512 HydrophobicContact CB-CD1 3.9Å; H495-F512 HydrophobicContact CB-CE1 4.35Å; H495-F512 AromaticContact ND1-CD1 3.96Å; M503-F512 HydrophobicContact CE-CD2 3.82Å; M503-F512 HydrophobicContact CE-CE2 3.47Å; M503-F512 VanDerWaalsContact CE-CE2 3.47Å; M503-F512 HydrophobicContact CE-CZ 3.93Å; M503-F512 HydrophobicContact SD-CD2 4.39Å; M503-F512 HydrophobicContact SD-CE2 4.46Å; F507-F512 HydrophobicContact CD1-CD2 4.49Å; F507-F512 HydrophobicContact CD1-CE2 4.01Å; F507-F512 AromaticContact CE1-CE2 3.7Å; F507-F512 HydrophobicContact CE1-CE2 3.7Å; H508-F512 WeakPolarHBondContact O-CA 3.23Å; H508-F512 WeakPolarHBondContact O-CB 3.26Å; H508-F512 PolarHBondContact O-N 2.96Å; F512-K514 PolarHBondContact O-N 3.26Å; F512-K514 VanDerWaalsContact O-N 3.1Å; F512-H515 WeakPolarHBondContact O-CB 3.49Å; F512-H515 PolarHBondContact O-N 3.38Å; F512-W595 HydrophobicContact CE2-CZ3 4.05Å; F512-W595 AromaticContact CZ-CZ3 3.97Å; F512-W595 HydrophobicContact CZ-CZ3 3.97Å
513	K	94.6	Very high	92.9	Very high	104 Å²	104	61 Å²	61	45%	0.452	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-33.5	-173.8	-176.9	178.4	179.3	173.2	0	114.6	H508 E509	H508-K513 PolarHBondContact O-N 3.04Å; E509-K513 HydrophobicContact CB-CD 4.4Å; E509-K513 HydrophobicContact CG-CD 3.94Å; E509-K513 IonicContact OE1-NZ 2.84Å; E509-K513 PolarHBondContact OE1-NZ 3.21Å
514	K	97.8	Very high	93.4	Very high	125 Å²	125	66.1 Å²	66.1	54%	0.543	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	16.8	-178.6	-63.3	-173.6	179	179.9	0	113.9	Y425 E426 F512	Y425-K514 WeakPolarHBondContact CA-O 3.45Å; Y425-K514 HydrophobicContact CD1-CB 4.21Å; E426-K514 WeakPolarHBondContact CG-O 3.45Å; E426-K514 PolarHBondContact N-O 2.97Å; F512-K514 PolarHBondContact O-N 3.26Å; F512-K514 VanDerWaalsContact O-N 3.1Å
515	H	98.5	Very high	94.1	Very high	5 Å²	5	62.8 Å²	62.8	2%	0.023	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-68.5	135.5	171.8	-91.8	80.2	0	0	0	110.7	W420 Y425 Y511 F512	W420-H515 AromaticContact CE2-CD2 3.92Å; W420-H515 AromaticContact CE2-NE2 3.81Å; W420-H515 HydrophobicContact CH2-CB 3.75Å; W420-H515 AromaticContact CH2-CD2 3.34Å; W420-H515 WeakPolarHBondContact CH2-CD2 3.29Å; W420-H515 AromaticContact CH2-CG 3.36Å; W420-H515 AromaticContact CH2-ND1 3.83Å; W420-H515 AromaticContact CH2-NE2 3.78Å; W420-H515 AromaticContact CZ2-CD2 3.24Å; W420-H515 WeakPolarHBondContact CZ2-CD2 3.43Å; W420-H515 AromaticContact CZ2-CE1 3.55Å; W420-H515 AromaticContact CZ2-CG 3.65Å; W420-H515 AromaticContact CZ2-ND1 3.84Å; W420-H515 AromaticContact CZ2-NE2 3.18Å; W420-H515 WeakPolarHBondContact CZ2-NE2 3.47Å; W420-H515 HydrophobicContact CZ3-CB 4.28Å; Y425-H515 AromaticContact CE1-CE1 3.57Å; Y425-H515 AromaticContact CE1-ND1 3.53Å; Y425-H515 AromaticContact CE2-CE1 3.63Å; Y425-H515 AromaticContact CE2-NE2 3.8Å; Y425-H515 AromaticContact CZ-CE1 3.18Å; Y425-H515 AromaticContact CZ-ND1 3.67Å; Y425-H515 AromaticContact CZ-NE2 3.84Å; Y425-H515 PolarHBondContact OH-CE1 3.08Å; Y511-H515 PolarHBondContact O-CE1 3.27Å; Y511-H515 PolarHBondContact O-ND1 3.43Å; F512-H515 WeakPolarHBondContact O-CB 3.49Å; F512-H515 PolarHBondContact O-N 3.38Å
516	K	98.6	Very high	95.1	Very high	50 Å²	50	66.9 Å²	66.9	22%	0.217	32%	0.316	C	S	.	.			trans	-75.7	131.1	-179.3	-157.5	169.3	-174.1	152.6	0	109.8	G424 E426 A429 E430 V490 S491	G424-K516 PolarHBondContact O-N 2.76Å; E426-K516 PolarHBondContact O-NZ 3.34Å; A429-K516 HydrophobicContact CB-CB 4.26Å; A429-K516 HydrophobicContact CB-CD 3.85Å; A429-K516 WeakPolarHBondContact O-CD 3.42Å; A429-K516 WeakPolarHBondContact O-CE 3.49Å; A429-K516 PolarHBondContact O-NZ 3.02Å; E430-K516 IonicContact OE2-NZ 3.78Å; V490-K516 HydrophobicContact CG1-CB 4.48Å; V490-K516 HydrophobicContact CG1-CD 4.4Å; V490-K516 HydrophobicContact CG1-CG 4.05Å; V490-K516 HydrophobicContact CG2-CD 4.31Å; S491-K516 WeakPolarHBondContact CB-O 3.32Å
517	F	98.8	Very high	95.7	Very high	60 Å²	60	62.9 Å²	62.9	26%	0.263	31%	0.306	S	S	.	.	B	Isolated β-bridge	trans	-121.8	129.4	-178.7	179.1	-116.4	0	0	0	110.8	D392 S394 Y494 T519	D392-F517 HydrophobicContact CB-CZ 4.19Å; S394-F517 VanDerWaalsContact CA-CZ 3.46Å; Y494-F517 HydrophobicContact CD2-CB 4.45Å; F517-T519 HydrophobicContact CD1-CG2 4.16Å; F517-T519 HydrophobicContact CE1-CG2 4.47Å
518	N	98.8	Very high	96.3	Very high	6 Å²	6	61.3 Å²	61.3	3%	0.032	30%	0.301	C	S	.	.			trans	-73.2	133	179.4	-177.7	51.2	0	0	0	111.6	S394 D396 V490 S491 R492 I520	S394-N518 WeakPolarHBondContact CB-O 3.47Å; S394-N518 PolarHBondContact OG-O 2.84Å; D396-N518 PolarHBondContact OD1-ND2 3.17Å; D396-N518 PolarHBondContact OD2-ND2 3.26Å; V490-N518 HydrophobicContact CG1-CB 3.86Å; S491-N518 PolarHBondContact O-N 3.41Å; R492-N518 VanDerWaalsContact CD-CB 3.48Å; R492-N518 PolarHBondContact NE-ND2 3.27Å; N518-I520 PolarHBondContact ND2-O 3.25Å; N518-I520 PolarHBondContact OD1-N 3.43Å; N518-I520 VanDerWaalsContact OD1-N 3.16Å
519	T	98.4	Very high	96.6	Very high	107 Å²	107	64.6 Å²	64.6	66%	0.656	32%	0.317	S	S	*	.			trans	-121	-0.4	173.8	58.1	0	0	0	0	112.7	F517	F517-T519 HydrophobicContact CD1-CG2 4.16Å; F517-T519 HydrophobicContact CE1-CG2 4.47Å
520	I	98.4	Very high	97.1	Very high	90 Å²	90	61.3 Å²	61.3	46%	0.462	30%	0.304	S	S	.	.			trans	-83.2	122.5	-179.1	-57	171	0	0	0	108.6	P432 N518 V523	P432-I520 HydrophobicContact CG-CD1 4.16Å; N518-I520 PolarHBondContact ND2-O 3.25Å; N518-I520 PolarHBondContact OD1-N 3.43Å; N518-I520 VanDerWaalsContact OD1-N 3.16Å; I520-V523 HydrophobicContact CB-CG2 3.9Å; I520-V523 HydrophobicContact CG2-CG2 3.74Å; I520-V523 WeakPolarHBondContact O-CG2 3.28Å
521	P	97	Very high	97.4	Very high	65 Å²	65	58.7 Å²	58.7	42%	0.422	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	151.3	179.8	30.5	-34.8	0	0	0	112.2	V395 V523	V395-P521 HydrophobicContact CG1-CB 4.1Å; V395-P521 HydrophobicContact CG2-CB 4.25Å; P521-V523 PolarHBondContact O-N 3.32Å; P521-V523 VanDerWaalsContact O-N 3.11Å
522	N	91.9	Very high	97.6	Very high	59 Å²	59	62 Å²	62	32%	0.316	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	35.9	166.7	-57.8	-30.7	0	0	0	115.2	L289 H321 Q524	L289-N522 WeakPolarHBondContact CD2-OD1 3.46Å; H321-N522 PolarHBondContact ND1-ND2 3.37Å; H321-N522 PolarHBondContact ND1-OD1 2.84Å; N522-Q524 PolarHBondContact O-N 2.92Å; N522-Q524 PolarHBondContact O-NE2 3.44Å
523	V	98	Very high	97.7	Very high	15 Å²	15	65.7 Å²	65.7	9%	0.091	32%	0.316	C	S	.	.			trans	-57.2	130.8	178	-179.4	0	0	0	0	110.1	Q403 P432 A433 I520 P521	Q403-V523 PolarHBondContact NE2-O 2.77Å; P432-V523 HydrophobicContact CB-CG1 4.14Å; P432-V523 HydrophobicContact CB-CG2 4.18Å; P432-V523 HydrophobicContact CG-CG1 4.31Å; A433-V523 HydrophobicContact CB-CG1 4.02Å; I520-V523 HydrophobicContact CB-CG2 3.9Å; I520-V523 HydrophobicContact CG2-CG2 3.74Å; I520-V523 WeakPolarHBondContact O-CG2 3.28Å; P521-V523 PolarHBondContact O-N 3.32Å; P521-V523 VanDerWaalsContact O-N 3.11Å
524	Q	98.2	Very high	97.8	Very high	138 Å²	138	67.1 Å²	67.1	65%	0.645	33%	0.329	S	S	*	.			trans	-86.5	115.3	174	-60.7	-55.6	-62.8	0	0	109	A433 N522	A433-Q524 VanDerWaalsContact CB-O 3.3Å; A433-Q524 WeakPolarHBondContact CB-O 3.23Å; N522-Q524 PolarHBondContact O-N 2.92Å; N522-Q524 PolarHBondContact O-NE2 3.44Å
525	L	98.6	Very high	97.9	Very high	17 Å²	17	63 Å²	63	9%	0.089	32%	0.319	C	S	.	.			trans	-74.3	138.6	-176.5	-56.7	176	0	0	0	110.2	F400 Q403 T404 L435 V528	F400-L525 HydrophobicContact CD2-CD1 3.83Å; Q403-L525 HydrophobicContact CB-CD1 3.72Å; Q403-L525 HydrophobicContact CB-CG 4.38Å; T404-L525 HydrophobicContact CG2-CD1 3.56Å; L435-L525 HydrophobicContact CD1-CB 4.28Å; L435-L525 HydrophobicContact CD1-CD1 3.93Å; L435-L525 HydrophobicContact CD2-CD1 4.36Å; L435-L525 HydrophobicContact CD2-CD2 4.27Å; L525-V528 HydrophobicContact CB-CG2 3.59Å; L525-V528 HydrophobicContact CD1-CG2 4.44Å
526	R	98.1	Very high	97.9	Very high	126 Å²	126	63 Å²	63	48%	0.475	32%	0.318	S	S	.	.	S	Bend	trans	-89.7	133.5	-176.2	-174.7	170	63.9	-112.5	-1	110.4	D431 A433 V528	D431-R526 IonicContact OD1-NH1 3.8Å; D431-R526 IonicContact OD2-CZ 2.66Å; D431-R526 IonicContact OD2-NH1 3.3Å; D431-R526 PolarHBondContact OD2-NH1 2.96Å; D431-R526 IonicContact OD2-NH2 3.36Å; D431-R526 PolarHBondContact OD2-NH2 3.41Å; A433-R526 HydrophobicContact CB-CB 4.39Å; A433-R526 PolarHBondContact O-N 3.16Å; R526-V528 VanDerWaalsContact C-N 3.32Å; R526-V528 PolarHBondContact O-N 3.34Å
527	N	96.6	Very high	97.9	Very high	88 Å²	88	62.2 Å²	62.2	47%	0.471	32%	0.315	S	S	.	.			trans	52.3	41.9	171.1	-60.1	-18.4	0	0	0	114.4	E529 S530	N527-E529 PolarHBondContact O-N 3.08Å; N527-E529 VanDerWaalsContact O-N 3.1Å; N527-S530 WeakPolarHBondContact O-CB 3.38Å; N527-S530 PolarHBondContact O-N 3.49Å; N527-S530 PolarHBondContact O-OG 3Å
528	V	98.3	Very high	97.9	Very high	20 Å²	20	62.2 Å²	62.2	12%	0.121	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-52.5	-39.7	-176.2	-178.5	0	0	0	0	113	Q403 T404 L407 L435 L525 R526 S530 L531	Q403-V528 WeakPolarHBondContact O-CG1 3.3Å; T404-V528 HydrophobicContact CG2-CG1 4.23Å; L407-V528 HydrophobicContact CD1-CG1 3.78Å; L407-V528 HydrophobicContact CD2-CG1 4.42Å; L407-V528 HydrophobicContact CG-CG1 4.2Å; L435-V528 HydrophobicContact CD1-CG2 4.36Å; L525-V528 HydrophobicContact CB-CG2 3.59Å; L525-V528 HydrophobicContact CD1-CG2 4.44Å; R526-V528 VanDerWaalsContact C-N 3.32Å; R526-V528 PolarHBondContact O-N 3.34Å; V528-S530 PolarHBondContact O-N 3.35Å; V528-S530 VanDerWaalsContact O-N 3.16Å; V528-L531 WeakPolarHBondContact O-CB 3.21Å; V528-L531 PolarHBondContact O-N 3.47Å
529	E	97.9	Very high	97.8	Very high	80 Å²	80	64 Å²	64	37%	0.374	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-60.6	-23.8	178.3	-67.5	-56.7	133.4	0	0	114.3	H406 N527 L531 R532	H406-E529 IonicContact CD2-OE1 3.52Å; H406-E529 IonicContact CE1-OE1 3.38Å; H406-E529 IonicContact NE2-OE1 2.76Å; H406-E529 PolarHBondContact NE2-OE1 3.04Å; N527-E529 PolarHBondContact O-N 3.08Å; N527-E529 VanDerWaalsContact O-N 3.1Å; E529-L531 PolarHBondContact O-N 3.12Å; E529-R532 PolarHBondContact O-N 3.39Å; E529-R532 PolarHBondContact O-NE 3.19Å; E529-R532 IonicContact OE2-CZ 3.94Å; E529-R532 IonicContact OE2-NE 2.66Å; E529-R532 PolarHBondContact OE2-NE 3.02Å; E529-R532 IonicContact OE2-NH2 2.86Å; E529-R532 PolarHBondContact OE2-NH2 3.24Å
530	S	97.8	Very high	97.8	Very high	25 Å²	25	59 Å²	59	18%	0.175	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-76.4	-1.3	177.6	79.4	0	0	0	0	113.1	N527 V528 R532 A535 Y536	N527-S530 WeakPolarHBondContact O-CB 3.38Å; N527-S530 PolarHBondContact O-N 3.49Å; N527-S530 PolarHBondContact O-OG 3Å; V528-S530 PolarHBondContact O-N 3.35Å; V528-S530 VanDerWaalsContact O-N 3.16Å; S530-R532 VanDerWaalsContact C-N 3.33Å; S530-A535 CarbonylContact O-C 3.57Å; S530-Y536 WeakPolarHBondContact O-CA 3.34Å; S530-Y536 VanDerWaalsContact O-CB 3.31Å; S530-Y536 WeakPolarHBondContact O-CB 3.46Å; S530-Y536 PolarHBondContact O-N 3.28Å
531	L	98.6	Very high	97.8	Very high	6 Å²	6	57.3 Å²	57.3	3%	0.031	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-85.2	-5.3	173.5	-62.1	-170.1	0	0	0	113.9	L407 L435 R437 I486 V528 E529 Y536	L407-L531 HydrophobicContact CD1-CB 3.94Å; L407-L531 HydrophobicContact CD1-CD1 4.08Å; L435-L531 HydrophobicContact CB-CD1 3.44Å; L435-L531 VanDerWaalsContact CB-CD1 3.44Å; L435-L531 HydrophobicContact CB-CD2 4.15Å; L435-L531 HydrophobicContact CB-CG 4.28Å; L435-L531 HydrophobicContact CD1-CD1 3.54Å; L435-L531 HydrophobicContact CG-CD1 4.12Å; R437-L531 VanDerWaalsContact CD-O 3.3Å; R437-L531 WeakPolarHBondContact CD-O 3.5Å; R437-L531 PolarHBondContact NH1-O 2.85Å; I486-L531 HydrophobicContact CD1-CB 3.94Å; I486-L531 HydrophobicContact CD1-CD1 3.79Å; I486-L531 HydrophobicContact CD1-CG 4.44Å; I486-L531 HydrophobicContact CG1-CD1 4.21Å; I486-L531 HydrophobicContact CG2-CD1 3.57Å; V528-L531 WeakPolarHBondContact O-CB 3.21Å; V528-L531 PolarHBondContact O-N 3.47Å; E529-L531 PolarHBondContact O-N 3.12Å; L531-Y536 HydrophobicContact CD2-CD2 3.59Å; L531-Y536 HydrophobicContact CD2-CE2 3.63Å
532	R	98.5	Very high	97.8	Very high	102 Å²	102	58 Å²	58	39%	0.385	29%	0.29	S	S	.	.	S	Bend	trans	-64.6	142.1	168.9	-69.4	-177.1	-77.2	172.6	-16.2	109.6	L407 D411 E529 S530 D534 A535 Y536	L407-R532 HydrophobicContact CD2-CG 4.04Å; D411-R532 HydrophobicContact CB-CG 4.46Å; D411-R532 WeakPolarHBondContact OD2-CA 3.39Å; E529-R532 PolarHBondContact O-N 3.39Å; E529-R532 PolarHBondContact O-NE 3.19Å; E529-R532 IonicContact OE2-CZ 3.94Å; E529-R532 IonicContact OE2-NE 2.66Å; E529-R532 PolarHBondContact OE2-NE 3.02Å; E529-R532 IonicContact OE2-NH2 2.86Å; E529-R532 PolarHBondContact OE2-NH2 3.24Å; S530-R532 VanDerWaalsContact C-N 3.33Å; R532-D534 PolarHBondContact O-N 2.67Å; R532-D534 VanDerWaalsContact O-N 3.17Å; R532-A535 HydrophobicContact CB-CB 4.47Å; R532-A535 CarbonylContact O-C 3.55Å; R532-A535 PolarHBondContact O-N 2.91Å; R532-Y536 PolarHBondContact O-N 2.99Å
533	K	98.3	Very high	98.1	Very high	92 Å²	92	55.8 Å²	55.8	40%	0.4	28%	0.279	S	S	.	.	H	α-helix	trans	-36.5	-63.3	-170.3	-169.2	-178.9	-177.7	178	0	114.9	D411 Y536 E537	D411-K533 PolarHBondContact OD2-N 3.09Å; K533-Y536 PolarHBondContact O-N 3.46Å; K533-E537 WeakPolarHBondContact O-CG 3.44Å; K533-E537 PolarHBondContact O-N 3.44Å
534	D	97.9	Very high	98.1	Very high	133 Å²	133	55.6 Å²	55.6	71%	0.711	28%	0.277	S	S	*	.	H	α-helix	trans	-73.3	-31.8	-174.5	-61.2	-24.4	0	0	0	112.7	R532 Y536 A538	R532-D534 PolarHBondContact O-N 2.67Å; R532-D534 VanDerWaalsContact O-N 3.17Å; D534-Y536 VanDerWaalsContact C-N 3.32Å; D534-A538 PolarHBondContact O-N 2.95Å
535	A	98.4	Very high	98	Very high	40 Å²	40	56.7 Å²	56.7	33%	0.331	28%	0.275	S	S	.	.	H	α-helix	trans	-70.1	-32.5	176.5	0	0	0	0	0	111.6	S530 R532 A538 E539	S530-A535 CarbonylContact O-C 3.57Å; R532-A535 HydrophobicContact CB-CB 4.47Å; R532-A535 CarbonylContact O-C 3.55Å; R532-A535 PolarHBondContact O-N 2.91Å; A535-A538 WeakPolarHBondContact O-CB 3.41Å; A535-A538 PolarHBondContact O-N 2.87Å; A535-E539 PolarHBondContact O-N 3.23Å
536	Y	98.7	Very high	97.9	Very high	3 Å²	3	61.1 Å²	61.1	1%	0.012	30%	0.295	C	S	.	.	H	α-helix	trans	-68.6	-41.6	177.3	-168.1	-109.2	0	0	0	111	R437 S530 L531 R532 K533 D534 A538 E539 I540 H603 R608	R437-Y536 HydrophobicContact CB-CD1 4.03Å; R437-Y536 HydrophobicContact CB-CE1 3.71Å; R437-Y536 VanDerWaalsContact CD-CD1 3.45Å; R437-Y536 VanDerWaalsContact CD-CG 3.47Å; R437-Y536 HydrophobicContact CG-CD1 3.86Å; R437-Y536 HydrophobicContact CG-CD2 4.11Å; R437-Y536 HydrophobicContact CG-CE1 3.96Å; R437-Y536 HydrophobicContact CG-CE2 4.22Å; R437-Y536 HydrophobicContact CG-CG 3.91Å; R437-Y536 PolarHBondContact N-OH 2.86Å; S530-Y536 WeakPolarHBondContact O-CA 3.34Å; S530-Y536 VanDerWaalsContact O-CB 3.31Å; S530-Y536 WeakPolarHBondContact O-CB 3.46Å; S530-Y536 PolarHBondContact O-N 3.28Å; L531-Y536 HydrophobicContact CD2-CD2 3.59Å; L531-Y536 HydrophobicContact CD2-CE2 3.63Å; R532-Y536 PolarHBondContact O-N 2.99Å; K533-Y536 PolarHBondContact O-N 3.46Å; D534-Y536 VanDerWaalsContact C-N 3.32Å; Y536-A538 VanDerWaalsContact C-N 3.27Å; Y536-A538 PolarHBondContact O-N 3.14Å; Y536-E539 WeakPolarHBondContact O-CB 3.42Å; Y536-E539 PolarHBondContact O-N 3.21Å; Y536-E539 VanDerWaalsContact O-N 3.12Å; Y536-I540 HydrophobicContact CD1-CG1 4.04Å; Y536-I540 HydrophobicContact CE1-CD1 3.94Å; Y536-I540 HydrophobicContact CE1-CG1 3.88Å; Y536-I540 HydrophobicContact CE2-CD1 4.48Å; Y536-I540 WeakPolarHBondContact O-CG1 3.35Å; Y536-I540 PolarHBondContact O-N 3.4Å; Y536-H603 AromaticContact CD1-CE1 3.9Å; Y536-H603 AromaticContact CD1-NE2 3.86Å; Y536-H603 AromaticContact CE1-CD2 3.85Å; Y536-H603 AromaticContact CE1-CG 3.98Å; Y536-H603 AromaticContact CE1-NE2 3.88Å; Y536-R608 PolarHBondContact OH-NH1 3.06Å
537	E	98.4	Very high	97.9	Very high	35 Å²	35	56 Å²	56	16%	0.164	28%	0.28	C	S	.	.	H	α-helix	trans	-58.3	-40.6	172.5	-63.3	-69.1	154	0	0	111.6	K533 E539 I540 Q541 H603 R604 Y626	K533-E537 WeakPolarHBondContact O-CG 3.44Å; K533-E537 PolarHBondContact O-N 3.44Å; E537-E539 VanDerWaalsContact C-N 3.35Å; E537-E539 PolarHBondContact O-N 3.02Å; E537-I540 PolarHBondContact O-N 3.01Å; E537-Q541 WeakPolarHBondContact O-CB 3.48Å; E537-Q541 VanDerWaalsContact O-CG 3.24Å; E537-Q541 WeakPolarHBondContact O-CG 3.24Å; E537-Q541 PolarHBondContact O-N 3.45Å; E537-H603 IonicContact OE1-CE1 2.81Å; E537-H603 PolarHBondContact OE1-CE1 2.8Å; E537-H603 IonicContact OE1-NE2 3.22Å; E537-H603 PolarHBondContact OE1-NE2 3.49Å; E537-R604 WeakPolarHBondContact OE1-CD 3.43Å; E537-R604 IonicContact OE1-CZ 2.67Å; E537-R604 IonicContact OE1-NE 3.26Å; E537-R604 IonicContact OE1-NH1 2.72Å; E537-R604 PolarHBondContact OE1-NH1 2.93Å; E537-R604 IonicContact OE2-NH1 3.21Å; E537-R604 PolarHBondContact OE2-NH1 3.04Å; E537-Y626 PolarHBondContact OE1-OH 2.87Å; E537-Y626 PolarHBondContact OE2-OH 2.84Å
538	A	98.3	Very high	98	Very high	60 Å²	60	55.9 Å²	55.9	50%	0.496	28%	0.276	S	S	.	.	H	α-helix	trans	-63.8	-39.3	175.7	0	0	0	0	0	112.5	D534 A535 Y536 Q541 K542	D534-A538 PolarHBondContact O-N 2.95Å; A535-A538 WeakPolarHBondContact O-CB 3.41Å; A535-A538 PolarHBondContact O-N 2.87Å; Y536-A538 VanDerWaalsContact C-N 3.27Å; Y536-A538 PolarHBondContact O-N 3.14Å; A538-Q541 PolarHBondContact O-N 2.84Å; A538-K542 PolarHBondContact O-N 2.92Å
539	E	97.9	Very high	98	Very high	43 Å²	43	58.8 Å²	58.8	20%	0.201	29%	0.291	C	S	.	.	H	α-helix	trans	-66.9	-43.8	174.9	-177	62.7	-171.3	0	0	111.6	A535 Y536 E537 Q541 K542 L543	A535-E539 PolarHBondContact O-N 3.23Å; Y536-E539 WeakPolarHBondContact O-CB 3.42Å; Y536-E539 PolarHBondContact O-N 3.21Å; Y536-E539 VanDerWaalsContact O-N 3.12Å; E537-E539 VanDerWaalsContact C-N 3.35Å; E537-E539 PolarHBondContact O-N 3.02Å; E539-Q541 VanDerWaalsContact C-N 3.34Å; E539-Q541 PolarHBondContact O-N 3.32Å; E539-K542 WeakPolarHBondContact O-CB 3.12Å; E539-K542 PolarHBondContact O-N 2.75Å; E539-K542 VanDerWaalsContact O-N 3.09Å; E539-L543 WeakPolarHBondContact O-CG 3.48Å; E539-L543 PolarHBondContact O-N 3.22Å
540	I	98.5	Very high	98	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-59.4	-46.7	174	-64.3	-50.1	0	0	0	110.2	Y536 E537 K542 L543 L544 L606 Y626	Y536-I540 HydrophobicContact CD1-CG1 4.04Å; Y536-I540 HydrophobicContact CE1-CD1 3.94Å; Y536-I540 HydrophobicContact CE1-CG1 3.88Å; Y536-I540 HydrophobicContact CE2-CD1 4.48Å; Y536-I540 WeakPolarHBondContact O-CG1 3.35Å; Y536-I540 PolarHBondContact O-N 3.4Å; E537-I540 PolarHBondContact O-N 3.01Å; I540-K542 PolarHBondContact O-N 2.82Å; I540-L543 HydrophobicContact CD1-CD1 4.25Å; I540-L543 PolarHBondContact O-N 3.18Å; I540-L544 HydrophobicContact CG2-CD1 3.82Å; I540-L544 HydrophobicContact CG2-CG 4.13Å; I540-L544 WeakPolarHBondContact O-CB 3.34Å; I540-L544 WeakPolarHBondContact O-CG 3.32Å; I540-L544 PolarHBondContact O-N 3Å; I540-L606 HydrophobicContact CD1-CD2 3.77Å; I540-L606 HydrophobicContact CG1-CD2 4.23Å; I540-L606 HydrophobicContact CG2-CD2 3.66Å; I540-Y626 HydrophobicContact CG2-CD1 4.18Å; I540-Y626 HydrophobicContact CG2-CE1 3.71Å; I540-Y626 HydrophobicContact CG2-CE2 4.13Å
541	Q	98	Very high	98	Very high	55 Å²	55	58 Å²	58	26%	0.257	29%	0.288	S	S	.	.	H	α-helix	trans	-61.3	-30.9	176.9	-69.7	-63	-31.2	0	0	112.9	E537 A538 E539 R545	E537-Q541 WeakPolarHBondContact O-CB 3.48Å; E537-Q541 VanDerWaalsContact O-CG 3.24Å; E537-Q541 WeakPolarHBondContact O-CG 3.24Å; E537-Q541 PolarHBondContact O-N 3.45Å; A538-Q541 PolarHBondContact O-N 2.84Å; E539-Q541 VanDerWaalsContact C-N 3.34Å; E539-Q541 PolarHBondContact O-N 3.32Å; Q541-R545 WeakPolarHBondContact O-CG 3.38Å; Q541-R545 PolarHBondContact O-N 3.26Å; Q541-R545 PolarHBondContact O-NH1 3.35Å
542	K	97.4	Very high	97.9	Very high	79 Å²	79	59.1 Å²	59.1	34%	0.343	29%	0.292	S	S	.	.	H	α-helix	trans	-68	-51.3	173.2	-179.1	-170.2	167	-160.9	0	111.1	A538 E539 I540 L544 R545 E546	A538-K542 PolarHBondContact O-N 2.92Å; E539-K542 WeakPolarHBondContact O-CB 3.12Å; E539-K542 PolarHBondContact O-N 2.75Å; E539-K542 VanDerWaalsContact O-N 3.09Å; I540-K542 PolarHBondContact O-N 2.82Å; K542-L544 VanDerWaalsContact C-N 3.28Å; K542-L544 PolarHBondContact O-N 2.88Å; K542-R545 WeakPolarHBondContact O-CB 3.42Å; K542-R545 PolarHBondContact O-N 3.05Å; K542-E546 WeakPolarHBondContact CE-OE1 3.43Å; K542-E546 WeakPolarHBondContact CG-OE1 3.43Å; K542-E546 PolarHBondContact O-N 3.49Å
543	L	97.8	Very high	97.8	Very high	14 Å²	14	59 Å²	59	7%	0.073	31%	0.308	C	S	.	.	H	α-helix	trans	-55.8	-43.6	176.6	-68.9	170.1	0	0	0	111.6	E539 I540 R545 E546 A547 L617	E539-L543 WeakPolarHBondContact O-CG 3.48Å; E539-L543 PolarHBondContact O-N 3.22Å; I540-L543 HydrophobicContact CD1-CD1 4.25Å; I540-L543 PolarHBondContact O-N 3.18Å; L543-R545 VanDerWaalsContact C-N 3.27Å; L543-R545 PolarHBondContact O-N 2.81Å; L543-E546 PolarHBondContact O-N 3.32Å; L543-E546 VanDerWaalsContact O-N 3.16Å; L543-A547 WeakPolarHBondContact O-CB 3.41Å; L543-A547 PolarHBondContact O-N 2.61Å; L543-L617 HydrophobicContact CB-CD1 4.04Å
544	L	97.9	Very high	97.7	Very high	11 Å²	11	61 Å²	61	6%	0.058	31%	0.312	C	S	.	.	H	α-helix	trans	-64.8	-25.6	178	-67.1	175.3	0	0	0	114	I540 K542 I571 L617 I619 Y626 K629	I540-L544 HydrophobicContact CG2-CD1 3.82Å; I540-L544 HydrophobicContact CG2-CG 4.13Å; I540-L544 WeakPolarHBondContact O-CB 3.34Å; I540-L544 WeakPolarHBondContact O-CG 3.32Å; I540-L544 PolarHBondContact O-N 3Å; K542-L544 VanDerWaalsContact C-N 3.28Å; K542-L544 PolarHBondContact O-N 2.88Å; L544-I571 HydrophobicContact CD2-CD1 3.62Å; L544-L617 HydrophobicContact CD2-CD1 3.86Å; L544-I619 HydrophobicContact CD2-CD1 3.57Å; L544-Y626 HydrophobicContact CD1-CD1 3.72Å; L544-Y626 HydrophobicContact CD1-CE1 4.5Å; L544-Y626 HydrophobicContact CD1-CG 3.91Å; L544-K629 HydrophobicContact CB-CG 4.38Å; L544-K629 HydrophobicContact CD1-CG 4.25Å
545	R	96.8	Very high	97.6	Very high	160 Å²	160	58 Å²	58	60%	0.604	30%	0.297	S	S	*	.	H	α-helix	trans	-78.9	-31	174.7	-75.5	-174.8	-58.3	-92.3	7.8	112.3	Q541 K542 L543	Q541-R545 WeakPolarHBondContact O-CG 3.38Å; Q541-R545 PolarHBondContact O-N 3.26Å; Q541-R545 PolarHBondContact O-NH1 3.35Å; K542-R545 WeakPolarHBondContact O-CB 3.42Å; K542-R545 PolarHBondContact O-N 3.05Å; L543-R545 VanDerWaalsContact C-N 3.27Å; L543-R545 PolarHBondContact O-N 2.81Å
546	E	96.4	Very high	97.5	Very high	111 Å²	111	56.5 Å²	56.5	52%	0.519	28%	0.283	S	S	.	.	H	α-helix	trans	-88.1	-19	-177.7	-67.1	171	-169.7	0	0	112.2	K542 L543	K542-E546 WeakPolarHBondContact CE-OE1 3.43Å; K542-E546 WeakPolarHBondContact CG-OE1 3.43Å; K542-E546 PolarHBondContact O-N 3.49Å; L543-E546 PolarHBondContact O-N 3.32Å; L543-E546 VanDerWaalsContact O-N 3.16Å
547	A	98.1	Very high	97.4	Very high	18 Å²	18	58.4 Å²	58.4	15%	0.149	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-70.1	133.1	-175.8	0	0	0	0	0	113.5	L543 T569 I571 L617	L543-A547 WeakPolarHBondContact O-CB 3.41Å; L543-A547 PolarHBondContact O-N 2.61Å; A547-T569 WeakPolarHBondContact CA-O 3.36Å; A547-T569 HydrophobicContact CB-CG2 3.81Å; A547-I571 HydrophobicContact CB-CB 3.77Å; A547-I571 HydrophobicContact CB-CG2 3.88Å; A547-L617 HydrophobicContact CB-CD1 4.01Å
548	E	98.1	Very high	97.2	Very high	85 Å²	85	61.5 Å²	61.5	40%	0.397	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	132.6	174.6	-62.8	176.8	-154	0	0	110.1	L550 K568 T569 Y570 I571	E548-L550 PolarHBondContact O-N 3.47Å; E548-K568 IonicContact OE1-NZ 3.62Å; E548-K568 PolarHBondContact OE1-NZ 3.39Å; E548-T569 PolarHBondContact N-O 2.92Å; E548-Y570 HydrophobicContact CB-CD1 3.77Å; E548-Y570 HydrophobicContact CB-CE1 3.78Å; E548-Y570 CarbonylContact O-C 3.57Å; E548-Y570 VanDerWaalsContact O-CA 3.28Å; E548-Y570 WeakPolarHBondContact O-CA 3.22Å; E548-Y570 WeakPolarHBondContact O-CD1 3.48Å; E548-I571 PolarHBondContact O-N 3.44Å
549	L	98.2	Very high	96.8	Very high	81 Å²	81	64 Å²	64	42%	0.424	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	128.1	-178.4	177	63.9	0	0	0	111.5	I571 F573 P631 L634	L549-I571 HydrophobicContact CB-CG2 4.34Å; L549-I571 HydrophobicContact CD1-CG2 4.3Å; L549-F573 HydrophobicContact CD1-CD2 4.03Å; L549-F573 HydrophobicContact CD1-CE2 3.86Å; L549-P631 HydrophobicContact CD2-CG 3.88Å; L549-L634 HydrophobicContact CD1-CD2 3.78Å; L549-L634 HydrophobicContact CD2-CD1 4.29Å; L549-L634 HydrophobicContact CD2-CD2 4.1Å
550	L	98.1	Very high	96.7	Very high	5 Å²	5	64.5 Å²	64.5	3%	0.026	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-77.5	150.5	171.7	-65.5	173.6	0	0	0	111.8	E548 H552 F561 V562 Y570 I571 M572	E548-L550 PolarHBondContact O-N 3.47Å; L550-H552 PolarHBondContact O-CE1 3.09Å; L550-H552 PolarHBondContact O-N 3.02Å; L550-H552 PolarHBondContact O-ND1 2.81Å; L550-F561 HydrophobicContact CB-CE1 3.89Å; L550-F561 HydrophobicContact CB-CE2 4.43Å; L550-F561 HydrophobicContact CB-CZ 3.77Å; L550-F561 HydrophobicContact CD1-CD1 3.84Å; L550-F561 HydrophobicContact CD1-CE1 3.38Å; L550-F561 HydrophobicContact CD1-CZ 4.14Å; L550-F561 HydrophobicContact CG-CE1 4.22Å; L550-V562 HydrophobicContact CD1-CG2 4.29Å; L550-Y570 HydrophobicContact CD2-CD1 3.54Å; L550-Y570 HydrophobicContact CD2-CD2 4.5Å; L550-Y570 HydrophobicContact CD2-CE1 4.16Å; L550-Y570 HydrophobicContact CD2-CG 3.76Å; L550-Y570 HydrophobicContact CG-CD1 4.13Å; L550-Y570 HydrophobicContact CG-CG 4.19Å; L550-I571 PolarHBondContact N-O 3.22Å; L550-M572 HydrophobicContact CD1-CB 4.46Å
551	D	97.3	Very high	96.6	Very high	85 Å²	85	64.7 Å²	64.7	46%	0.455	33%	0.325	S	S	.	.			trans	-75.8	107	-179.4	-179	0.6	0	0	0	111.5	S553 R554 F561	D551-S553 PolarHBondContact O-N 3.45Å; D551-S553 WeakPolarHBondContact OD1-CB 3.28Å; D551-S553 PolarHBondContact OD1-N 3.47Å; D551-S553 PolarHBondContact OD1-OG 3.46Å; D551-S553 PolarHBondContact OD2-OG 2.92Å; D551-S553 VanDerWaalsContact OD2-OG 3.09Å; D551-R554 PolarHBondContact O-N 2.93Å; D551-F561 VanDerWaalsContact O-CE2 3.25Å; D551-F561 WeakPolarHBondContact O-CE2 3.37Å
552	H	97.6	Very high	96.6	Very high	28 Å²	28	62.1 Å²	62.1	13%	0.13	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-2.5	-177.1	-67.4	37	0	0	0	113.7	L550 R554 F573 L634 I637	L550-H552 PolarHBondContact O-CE1 3.09Å; L550-H552 PolarHBondContact O-N 3.02Å; L550-H552 PolarHBondContact O-ND1 2.81Å; H552-R554 VanDerWaalsContact C-N 3.26Å; H552-F573 AromaticContact NE2-CD2 3.85Å; H552-F573 PolarHBondContact NE2-N 2.77Å; H552-F573 PolarHBondContact NE2-O 2.84Å; H552-L634 HydrophobicContact CB-CD1 3.94Å; H552-I637 HydrophobicContact CB-CG1 4.16Å
553	S	95.1	Very high	96.5	Very high	101 Å²	101	61.1 Å²	61.1	71%	0.706	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-14.9	169.7	72.4	0	0	0	0	112.8	D551	D551-S553 PolarHBondContact O-N 3.45Å; D551-S553 WeakPolarHBondContact OD1-CB 3.28Å; D551-S553 PolarHBondContact OD1-N 3.47Å; D551-S553 PolarHBondContact OD1-OG 3.46Å; D551-S553 PolarHBondContact OD2-OG 2.92Å; D551-S553 VanDerWaalsContact OD2-OG 3.09Å
554	R	95.9	Very high	96.4	Very high	132 Å²	132	67.3 Å²	67.3	50%	0.498	35%	0.348	S	S	.	.	S	Bend	trans	-92	154.6	177.9	-68.4	-175.4	160.6	-160	-5.6	111.8	D551 H552 P556 S560 F561	D551-R554 PolarHBondContact O-N 2.93Å; H552-R554 VanDerWaalsContact C-N 3.26Å; R554-P556 WeakPolarHBondContact O-CD 3.29Å; R554-S560 PolarHBondContact NH1-O 3.33Å; R554-F561 HydrophobicContact CB-CD2 3.87Å; R554-F561 HydrophobicContact CB-CE2 4.44Å
555	N	96.1	Very high	96.4	Very high	72 Å²	72	69.4 Å²	69.4	39%	0.385	36%	0.361	S	S	.	.			trans	-70.9	116.6	176.3	-175.8	-8	0	0	0	110.6	C557 E558	N555-C557 PolarHBondContact O-N 2.81Å; N555-C557 WeakPolarHBondContact OD1-CB 3.4Å; N555-C557 PolarHBondContact OD1-N 3.09Å; N555-E558 HydrophobicContact CB-CG 4.11Å; N555-E558 PolarHBondContact O-N 2.76Å
556	P	97.1	Very high	96.3	Very high	7 Å²	7	66 Å²	66	5%	0.045	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-20.3	-179.1	29.6	-38.2	0	0	0	114.1	R554 E558 F561 L588 R611 I637 L639	R554-P556 WeakPolarHBondContact O-CD 3.29Å; P556-E558 VanDerWaalsContact C-N 3.27Å; P556-E558 PolarHBondContact O-N 3.46Å; P556-F561 HydrophobicContact CB-CD1 4.18Å; P556-F561 HydrophobicContact CB-CD2 4.25Å; P556-F561 HydrophobicContact CB-CE1 4.06Å; P556-F561 HydrophobicContact CB-CE2 4.14Å; P556-F561 HydrophobicContact CB-CG 4.28Å; P556-F561 HydrophobicContact CB-CZ 4.05Å; P556-L588 HydrophobicContact CB-CD1 4.07Å; P556-L588 HydrophobicContact CG-CD1 4.41Å; P556-R611 PolarHBondContact O-NH1 3.1Å; P556-I637 HydrophobicContact CB-CD1 4.18Å; P556-I637 HydrophobicContact CG-CD1 4.3Å; P556-I637 HydrophobicContact CG-CG2 3.89Å; P556-L639 HydrophobicContact CG-CD1 4.3Å; P556-L639 HydrophobicContact CG-CD2 4.32Å
557	C	96.1	Very high	96.2	Very high	43 Å²	43	63.8 Å²	63.8	29%	0.291	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-8.1	178.7	-64.5	0	0	0	0	113.5	N555 C591	N555-C557 PolarHBondContact O-N 2.81Å; N555-C557 WeakPolarHBondContact OD1-CB 3.4Å; N555-C557 PolarHBondContact OD1-N 3.09Å; C557-C591 WeakPolarHBondContact CA-SG 3.42Å; C557-C591 HydrophobicContact CB-CB 3.54Å; C557-C591 WeakPolarHBondContact CB-SG 2.98Å; C557-C591 WeakPolarHBondContact SG-CB 3Å; C557-C591 CovalentContact SG-SG 2.04Å; C557-C591 PolarHBondContact SG-SG 2.94Å
558	E	94.9	Very high	96.2	Very high	101 Å²	101	67.1 Å²	67.1	47%	0.472	37%	0.373	S	S	.	.	S	Bend	trans	-93	150.7	174.6	-68.4	177	-157.7	0	0	111.2	N555 P556 S560 F561 R611	N555-E558 HydrophobicContact CB-CG 4.11Å; N555-E558 PolarHBondContact O-N 2.76Å; P556-E558 VanDerWaalsContact C-N 3.27Å; P556-E558 PolarHBondContact O-N 3.46Å; E558-S560 WeakPolarHBondContact CB-OG 3.24Å; E558-S560 PolarHBondContact O-N 2.7Å; E558-S560 PolarHBondContact OE2-OG 2.87Å; E558-S560 VanDerWaalsContact OE2-OG 3.12Å; E558-F561 VanDerWaalsContact O-CB 3.24Å; E558-F561 WeakPolarHBondContact O-CB 3.47Å; E558-F561 PolarHBondContact O-N 3.34Å; E558-R611 PolarHBondContact O-NH2 3.21Å
559	D	89.7	Confident	96.2	Very high	111 Å²	111	64.3 Å²	64.3	59%	0.594	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-66.5	-22.9	173.4	-74.4	-25.6	0	0	0	112.7	F561 V562 R611 K612	D559-F561 PolarHBondContact O-N 3.08Å; D559-V562 PolarHBondContact O-N 3.15Å; D559-R611 IonicContact OD1-NH2 3.76Å; D559-R611 PolarHBondContact OD1-NH2 3.33Å; D559-K612 VanDerWaalsContact O-CE 3.28Å; D559-K612 WeakPolarHBondContact O-CE 3.25Å; D559-K612 PolarHBondContact O-NZ 3.23Å
560	S	94.8	Very high	96.3	Very high	54 Å²	54	60.9 Å²	60.9	38%	0.378	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-64.8	-15.7	175.5	69.9	0	0	0	0	113.2	R554 E558	R554-S560 PolarHBondContact NH1-O 3.33Å; E558-S560 WeakPolarHBondContact CB-OG 3.24Å; E558-S560 PolarHBondContact O-N 2.7Å; E558-S560 PolarHBondContact OE2-OG 2.87Å; E558-S560 VanDerWaalsContact OE2-OG 3.12Å
561	F	97.5	Very high	96.3	Very high	6 Å²	6	61 Å²	61	3%	0.026	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-66.3	-40.1	179.7	-172.4	-111.5	0	0	0	112.7	L550 D551 R554 P556 E558 D559 M572 I637	L550-F561 HydrophobicContact CB-CE1 3.89Å; L550-F561 HydrophobicContact CB-CE2 4.43Å; L550-F561 HydrophobicContact CB-CZ 3.77Å; L550-F561 HydrophobicContact CD1-CD1 3.84Å; L550-F561 HydrophobicContact CD1-CE1 3.38Å; L550-F561 HydrophobicContact CD1-CZ 4.14Å; L550-F561 HydrophobicContact CG-CE1 4.22Å; D551-F561 VanDerWaalsContact O-CE2 3.25Å; D551-F561 WeakPolarHBondContact O-CE2 3.37Å; R554-F561 HydrophobicContact CB-CD2 3.87Å; R554-F561 HydrophobicContact CB-CE2 4.44Å; P556-F561 HydrophobicContact CB-CD1 4.18Å; P556-F561 HydrophobicContact CB-CD2 4.25Å; P556-F561 HydrophobicContact CB-CE1 4.06Å; P556-F561 HydrophobicContact CB-CE2 4.14Å; P556-F561 HydrophobicContact CB-CG 4.28Å; P556-F561 HydrophobicContact CB-CZ 4.05Å; E558-F561 VanDerWaalsContact O-CB 3.24Å; E558-F561 WeakPolarHBondContact O-CB 3.47Å; E558-F561 PolarHBondContact O-N 3.34Å; D559-F561 PolarHBondContact O-N 3.08Å; F561-M572 HydrophobicContact CE1-CB 4.37Å; F561-M572 HydrophobicContact CE1-SD 3.53Å; F561-M572 VanDerWaalsContact CE1-SD 3.53Å; F561-M572 HydrophobicContact CZ-CB 4.31Å; F561-M572 HydrophobicContact CZ-SD 3.97Å; F561-I637 HydrophobicContact CE2-CD1 4.25Å; F561-I637 HydrophobicContact CZ-CD1 3.78Å
562	V	96.9	Very high	96.4	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.006	32%	0.323	C	S	.	.	S	Bend	trans	-97.7	123.7	178.3	-177.2	0	0	0	0	108.8	L550 D559 Y570 R611 K612 I616	L550-V562 HydrophobicContact CD1-CG2 4.29Å; D559-V562 PolarHBondContact O-N 3.15Å; V562-Y570 HydrophobicContact CG1-CD2 4.11Å; V562-Y570 HydrophobicContact CG1-CE2 4.19Å; V562-R611 HydrophobicContact CG2-CB 4.11Å; V562-K612 PolarHBondContact O-NZ 3.12Å; V562-K612 VanDerWaalsContact O-NZ 3.09Å; V562-I616 HydrophobicContact CG1-CD1 4.2Å; V562-I616 HydrophobicContact CG2-CD1 4.13Å
563	P	96.5	Very high	96.4	Very high	57 Å²	57	55.9 Å²	55.9	37%	0.37	32%	0.317	S	S	.	.			trans	-55.5	147.7	176.8	-24.9	33.9	0	0	0	112.7	T565 Y570	P563-T565 HydrophobicContact CB-CG2 4.21Å; P563-T565 PolarHBondContact O-N 2.77Å; P563-T565 PolarHBondContact O-OG1 3.39Å; P563-Y570 HydrophobicContact CG-CE1 4.17Å
564	D	95.7	Very high	96.6	Very high	145 Å²	145	51 Å²	51	78%	0.775	28%	0.283	S	S	*	.	S	Bend	trans	-73.3	77	175.7	-64.5	-39	0	0	0	110.8	K612	D564-K612 IonicContact OD1-NZ 3.76Å; D564-K612 PolarHBondContact OD1-NZ 3.07Å
565	T	96.9	Very high	96.6	Very high	54 Å²	54	47.9 Å²	47.9	33%	0.331	27%	0.273	S	S	.	.			trans	-131.4	170.9	177.7	58.8	0	0	0	0	109.6	P563 Y570 N614	P563-T565 HydrophobicContact CB-CG2 4.21Å; P563-T565 PolarHBondContact O-N 2.77Å; P563-T565 PolarHBondContact O-OG1 3.39Å; T565-Y570 PolarHBondContact OG1-OH 3.36Å; T565-N614 PolarHBondContact O-ND2 3.1Å; T565-N614 PolarHBondContact O-OD1 3.4Å; T565-N614 PolarHBondContact OG1-OD1 2.97Å
566	D	94.6	Very high	96.7	Very high	89 Å²	89	44.9 Å²	44.9	48%	0.476	26%	0.257	S	S	.	.	S	Bend	trans	-134.3	142.1	178.3	-170.6	3.1	0	0	0	109.8	K568 R613 N614	D566-K568 PolarHBondContact O-N 3.02Å; D566-R613 WeakPolarHBondContact OD1-CB 3.37Å; D566-R613 IonicContact OD1-CZ 3.39Å; D566-R613 IonicContact OD1-NE 3.76Å; D566-R613 IonicContact OD1-NH1 3.52Å; D566-R613 IonicContact OD2-CZ 3.29Å; D566-R613 VanDerWaalsContact OD2-CZ 3.27Å; D566-R613 IonicContact OD2-NE 4Å; D566-R613 IonicContact OD2-NH1 3.85Å; D566-R613 PolarHBondContact OD2-NH1 3.35Å; D566-R613 IonicContact OD2-NH2 2.93Å; D566-N614 WeakPolarHBondContact CA-OD1 3.19Å; D566-N614 PolarHBondContact N-OD1 3.26Å
567	G	95.5	Very high	96.5	Very high	64 Å²	64	50.1 Å²	50.1	66%	0.66	28%	0.281	S	S	*	.	S	Bend	trans	69.1	13.2	177.1	0	0	0	0	0	115.6	R613 N614	G567-R613 PolarHBondContact N-O 3.28Å; G567-N614 PolarHBondContact N-OD1 3.46Å
568	K	98.1	Very high	96.4	Very high	89 Å²	89	51.5 Å²	51.5	39%	0.387	29%	0.288	S	S	.	.			trans	-85.6	158.7	175.8	-69.1	-65	-162.6	145.3	0	111.8	E548 D566 Y570 N614 H615	E548-K568 IonicContact OE1-NZ 3.62Å; E548-K568 PolarHBondContact OE1-NZ 3.39Å; D566-K568 PolarHBondContact O-N 3.02Å; K568-Y570 HydrophobicContact CB-CD2 4.28Å; K568-Y570 HydrophobicContact CB-CE2 3.63Å; K568-N614 WeakPolarHBondContact CB-OD1 3.33Å; K568-N614 PolarHBondContact N-OD1 2.9Å; K568-N614 CarbonylContact O-C 3.51Å; K568-N614 WeakPolarHBondContact O-CA 3.35Å; K568-N614 WeakPolarHBondContact O-CB 3.39Å; K568-H615 PolarHBondContact O-N 2.93Å
569	T	98.6	Very high	96.1	Very high	26 Å²	26	54.3 Å²	54.3	16%	0.16	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	126.7	169.9	-57.8	0	0	0	0	108.6	A547 E548 H615 L617	A547-T569 WeakPolarHBondContact CA-O 3.36Å; A547-T569 HydrophobicContact CB-CG2 3.81Å; E548-T569 PolarHBondContact N-O 2.92Å; T569-H615 CarbonylContact C-O 3.59Å; T569-H615 WeakPolarHBondContact CA-O 3.24Å; T569-L617 HydrophobicContact CG2-CD1 3.92Å; T569-L617 HydrophobicContact CG2-CG 4.07Å
570	Y	98.7	Very high	96.1	Very high	8 Å²	8	56.5 Å²	56.5	3%	0.031	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	155.5	178.9	-70.4	-69	0	0	0	111	E548 L550 V562 P563 T565 K568 N614 H615 I616 L617	E548-Y570 HydrophobicContact CB-CD1 3.77Å; E548-Y570 HydrophobicContact CB-CE1 3.78Å; E548-Y570 CarbonylContact O-C 3.57Å; E548-Y570 VanDerWaalsContact O-CA 3.28Å; E548-Y570 WeakPolarHBondContact O-CA 3.22Å; E548-Y570 WeakPolarHBondContact O-CD1 3.48Å; L550-Y570 HydrophobicContact CD2-CD1 3.54Å; L550-Y570 HydrophobicContact CD2-CD2 4.5Å; L550-Y570 HydrophobicContact CD2-CE1 4.16Å; L550-Y570 HydrophobicContact CD2-CG 3.76Å; L550-Y570 HydrophobicContact CG-CD1 4.13Å; L550-Y570 HydrophobicContact CG-CG 4.19Å; V562-Y570 HydrophobicContact CG1-CD2 4.11Å; V562-Y570 HydrophobicContact CG1-CE2 4.19Å; P563-Y570 HydrophobicContact CG-CE1 4.17Å; T565-Y570 PolarHBondContact OG1-OH 3.36Å; K568-Y570 HydrophobicContact CB-CD2 4.28Å; K568-Y570 HydrophobicContact CB-CE2 3.63Å; Y570-N614 HydrophobicContact CD2-CB 3.77Å; Y570-N614 HydrophobicContact CE2-CB 3.9Å; Y570-H615 PolarHBondContact N-O 3Å; Y570-I616 HydrophobicContact CD2-CD1 4.03Å; Y570-I616 HydrophobicContact CG-CD1 4.39Å; Y570-L617 PolarHBondContact O-N 2.89Å
571	I	98.6	Very high	95.9	Very high	9 Å²	9	55.6 Å²	55.6	5%	0.046	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	138.4	178.8	-172.1	174.1	0	0	0	110.8	L544 A547 E548 L549 L550 F573 L617 I619	L544-I571 HydrophobicContact CD2-CD1 3.62Å; A547-I571 HydrophobicContact CB-CB 3.77Å; A547-I571 HydrophobicContact CB-CG2 3.88Å; E548-I571 PolarHBondContact O-N 3.44Å; L549-I571 HydrophobicContact CB-CG2 4.34Å; L549-I571 HydrophobicContact CD1-CG2 4.3Å; L550-I571 PolarHBondContact N-O 3.22Å; I571-F573 HydrophobicContact CD1-CE1 4.27Å; I571-F573 HydrophobicContact CD1-CE2 4.07Å; I571-F573 HydrophobicContact CD1-CZ 3.59Å; I571-F573 HydrophobicContact CG1-CE2 4.08Å; I571-F573 HydrophobicContact CG1-CZ 4.03Å; I571-L617 CarbonylContact C-O 3.49Å; I571-L617 WeakPolarHBondContact CA-O 3.46Å; I571-L617 HydrophobicContact CB-CB 4.38Å; I571-L617 HydrophobicContact CG1-CB 4.27Å; I571-I619 HydrophobicContact CD1-CD1 3.55Å; I571-I619 HydrophobicContact CG1-CD1 3.98Å
572	M	98.6	Very high	95.7	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.01	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	156.2	167.7	66.5	171.2	174.7	0	0	111.9	L550 F561 L588 I616 L617 V618 I619 I637	L550-M572 HydrophobicContact CD1-CB 4.46Å; F561-M572 HydrophobicContact CE1-CB 4.37Å; F561-M572 HydrophobicContact CE1-SD 3.53Å; F561-M572 VanDerWaalsContact CE1-SD 3.53Å; F561-M572 HydrophobicContact CZ-CB 4.31Å; F561-M572 HydrophobicContact CZ-SD 3.97Å; M572-L588 HydrophobicContact CE-CD1 4.19Å; M572-L588 HydrophobicContact CE-CD2 3.41Å; M572-L588 VanDerWaalsContact CE-CD2 3.41Å; M572-L588 HydrophobicContact CE-CG 4.37Å; M572-I616 HydrophobicContact CE-CG2 4.38Å; M572-L617 PolarHBondContact N-O 2.84Å; M572-V618 HydrophobicContact CE-CB 4.17Å; M572-V618 HydrophobicContact CE-CG1 3.86Å; M572-V618 HydrophobicContact CE-CG2 3.31Å; M572-V618 HydrophobicContact CG-CB 4.45Å; M572-V618 HydrophobicContact CG-CG1 4.22Å; M572-V618 HydrophobicContact CG-CG2 4.18Å; M572-I619 PolarHBondContact O-N 3.37Å; M572-I637 HydrophobicContact CB-CD1 4.4Å; M572-I637 HydrophobicContact SD-CD1 4.14Å
573	F	98.7	Very high	95.6	Very high	2 Å²	2	59.2 Å²	59.2	1%	0.009	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	126	-177.4	-61.1	-88.6	0	0	0	109.5	L549 H552 I571 I619 V621 K629 K630 L634 P636 I637	L549-F573 HydrophobicContact CD1-CD2 4.03Å; L549-F573 HydrophobicContact CD1-CE2 3.86Å; H552-F573 AromaticContact NE2-CD2 3.85Å; H552-F573 PolarHBondContact NE2-N 2.77Å; H552-F573 PolarHBondContact NE2-O 2.84Å; I571-F573 HydrophobicContact CD1-CE1 4.27Å; I571-F573 HydrophobicContact CD1-CE2 4.07Å; I571-F573 HydrophobicContact CD1-CZ 3.59Å; I571-F573 HydrophobicContact CG1-CE2 4.08Å; I571-F573 HydrophobicContact CG1-CZ 4.03Å; F573-I619 CarbonylContact C-O 3.51Å; F573-I619 WeakPolarHBondContact CA-O 3.4Å; F573-I619 HydrophobicContact CD1-CB 3.75Å; F573-I619 HydrophobicContact CD1-CD1 4.29Å; F573-I619 HydrophobicContact CD1-CG2 3.92Å; F573-I619 HydrophobicContact CE1-CB 4.01Å; F573-I619 HydrophobicContact CE1-CD1 3.69Å; F573-I619 HydrophobicContact CE1-CG1 4.43Å; F573-I619 HydrophobicContact CE1-CG2 4.09Å; F573-I619 HydrophobicContact CZ-CD1 4.26Å; F573-V621 HydrophobicContact CB-CG2 4.04Å; F573-V621 HydrophobicContact CD1-CG2 3.67Å; F573-V621 HydrophobicContact CG-CG2 4.31Å; F573-K629 HydrophobicContact CZ-CB 4.27Å; F573-K630 HydrophobicContact CB-CD 4.41Å; F573-K630 HydrophobicContact CB-CG 4.35Å; F573-K630 HydrophobicContact CD1-CB 3.79Å; F573-K630 HydrophobicContact CD1-CG 3.98Å; F573-K630 HydrophobicContact CD2-CB 4.45Å; F573-K630 HydrophobicContact CD2-CG 4.04Å; F573-K630 HydrophobicContact CE1-CB 3.67Å; F573-K630 HydrophobicContact CE1-CG 4.26Å; F573-K630 HydrophobicContact CE2-CB 4.35Å; F573-K630 HydrophobicContact CE2-CG 4.32Å; F573-K630 HydrophobicContact CG-CB 4.18Å; F573-K630 HydrophobicContact CG-CD 4.4Å; F573-K630 HydrophobicContact CG-CG 3.85Å; F573-K630 VanDerWaalsContact CZ-CA 3.47Å; F573-K630 HydrophobicContact CZ-CB 3.98Å; F573-K630 HydrophobicContact CZ-CG 4.43Å; F573-L634 HydrophobicContact CD2-CD2 3.48Å; F573-L634 VanDerWaalsContact CD2-CD2 3.48Å; F573-L634 HydrophobicContact CE2-CD2 4.07Å; F573-L634 HydrophobicContact CG-CD2 4.31Å; F573-P636 WeakPolarHBondContact O-CA 2.83Å; F573-I637 PolarHBondContact O-N 3.31Å
574	I	98.4	Very high	95.6	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	151.5	176	64	171.8	0	0	0	110.2	T584 W585 L588 W607 V618 I619 A620 V621 I637	I574-T584 HydrophobicContact CB-CG2 3.82Å; I574-T584 HydrophobicContact CG2-CG2 4.16Å; I574-W585 HydrophobicContact CD1-CB 3.9Å; I574-W585 HydrophobicContact CD1-CE3 4.26Å; I574-L588 HydrophobicContact CG2-CD2 4.23Å; I574-W607 HydrophobicContact CD1-CZ3 4.17Å; I574-V618 HydrophobicContact CD1-CG1 3.91Å; I574-V618 HydrophobicContact CG1-CG1 4.04Å; I574-V618 HydrophobicContact CG2-CG1 3.78Å; I574-I619 PolarHBondContact N-O 2.85Å; I574-A620 HydrophobicContact CG1-CB 4.42Å; I574-V621 PolarHBondContact O-N 3.19Å; I574-I637 CarbonylContact C-O 3.53Å; I574-I637 WeakPolarHBondContact CA-O 3.06Å; I574-I637 HydrophobicContact CG2-CB 4.27Å; I574-I637 HydrophobicContact CG2-CG2 4.42Å
575	K	97.6	Very high	95.7	Very high	66 Å²	66	49.8 Å²	49.8	29%	0.287	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	127.5	174.1	-172.6	179.3	176.9	-174.9	0	109.4	E577 P636 I637 H638	K575-E577 WeakPolarHBondContact CE-OE1 3.46Å; K575-E577 IonicContact NZ-OE1 2.77Å; K575-E577 PolarHBondContact NZ-OE1 3.3Å; K575-P636 HydrophobicContact CB-CB 4.22Å; K575-I637 WeakPolarHBondContact CB-O 3.28Å; K575-I637 PolarHBondContact N-O 3.04Å; K575-H638 HydrophobicContact CB-CB 4.18Å; K575-H638 HydrophobicContact CD-CB 4.27Å
576	M	96.8	Very high	95.7	Very high	8 Å²	8	48.6 Å²	48.6	4%	0.039	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	95	172.4	-145.1	-175.4	157.5	0	0	107.5	E579 D581 T582 W607 A620 V621 P622 I623	M576-E579 WeakPolarHBondContact CE-O 3.36Å; M576-D581 HydrophobicContact CG-CB 4.41Å; M576-D581 WeakPolarHBondContact CG-O 3.29Å; M576-T582 HydrophobicContact CE-CG2 3.94Å; M576-W607 HydrophobicContact SD-CH2 3.9Å; M576-A620 HydrophobicContact CB-CB 3.58Å; M576-A620 HydrophobicContact CG-CB 4.22Å; M576-A620 HydrophobicContact SD-CB 3.71Å; M576-V621 CarbonylContact C-O 3.45Å; M576-V621 PolarHBondContact N-O 3.45Å; M576-V621 CarbonylContact O-C 3.34Å; M576-V621 VanDerWaalsContact O-O 3.09Å; M576-P622 VanDerWaalsContact O-CD 3.25Å; M576-P622 WeakPolarHBondContact O-CD 3.31Å; M576-I623 HydrophobicContact CB-CD1 4.12Å; M576-I623 HydrophobicContact CB-CG1 4.22Å; M576-I623 HydrophobicContact CE-CD1 3.94Å; M576-I623 HydrophobicContact CG-CD1 3.98Å; M576-I623 WeakPolarHBondContact O-CG2 3.48Å; M576-I623 HydrophobicContact SD-CD1 3.45Å; M576-I623 WeakPolarHBondContact SD-CD1 3.38Å; M576-I623 HydrophobicContact SD-CG1 4.43Å
577	E	94	Very high	95.8	Very high	117 Å²	117	46 Å²	46	55%	0.547	25%	0.251	S	S	.	.	S	Bend	trans	-73.4	-30.6	-171.9	-71.9	-175.5	-172.7	0	0	113	K575 D581 I623	K575-E577 WeakPolarHBondContact CE-OE1 3.46Å; K575-E577 IonicContact NZ-OE1 2.77Å; K575-E577 PolarHBondContact NZ-OE1 3.3Å; E577-D581 PolarHBondContact N-OD2 3.31Å; E577-I623 WeakPolarHBondContact O-CG2 3.2Å
578	T	93.9	Very high	95.9	Very high	73 Å²	73	43 Å²	43	45%	0.448	22%	0.22	S	C	.	.	S	Bend	trans	-141.3	165.3	178.7	71.2	0	0	0	0	109.7	L580 D581	T578-L580 PolarHBondContact O-N 2.88Å; T578-L580 VanDerWaalsContact O-N 3.12Å; T578-L580 PolarHBondContact OG1-N 2.86Å; T578-D581 WeakPolarHBondContact O-CB 3.37Å; T578-D581 PolarHBondContact O-N 2.9Å; T578-D581 PolarHBondContact OG1-N 3.19Å
579	E	87.8	Confident	95.9	Very high	160 Å²	160	38.8 Å²	38.8	75%	0.748	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-20.7	173.9	-65.9	-177.5	176.5	0	0	113.1	M576	M576-E579 WeakPolarHBondContact CE-O 3.36Å
580	L	89.9	Confident	95.8	Very high	157 Å²	157	42.1 Å²	42.1	82%	0.822	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-15.1	176.9	-59.6	175.8	0	0	0	113.1	T578 T582	T578-L580 PolarHBondContact O-N 2.88Å; T578-L580 VanDerWaalsContact O-N 3.12Å; T578-L580 PolarHBondContact OG1-N 2.86Å; L580-T582 VanDerWaalsContact C-N 3.28Å; L580-T582 PolarHBondContact O-N 3.16Å
581	D	91.5	Very high	95.7	Very high	35 Å²	35	43.4 Å²	43.4	19%	0.187	22%	0.224	C	C	.	.			trans	-83.3	68	-178.9	179.3	19.4	0	0	0	110.8	M576 E577 T578 S583	M576-D581 HydrophobicContact CG-CB 4.41Å; M576-D581 WeakPolarHBondContact CG-O 3.29Å; E577-D581 PolarHBondContact N-OD2 3.31Å; T578-D581 WeakPolarHBondContact O-CB 3.37Å; T578-D581 PolarHBondContact O-N 2.9Å; T578-D581 PolarHBondContact OG1-N 3.19Å; D581-S583 VanDerWaalsContact C-N 3.29Å; D581-S583 PolarHBondContact O-N 3.2Å; D581-S583 PolarHBondContact OD1-OG 2.89Å
582	T	92.8	Very high	95.6	Very high	46 Å²	46	43.6 Å²	43.6	28%	0.282	23%	0.225	S	C	.	.			trans	-85.8	-2.7	-174	67.4	0	0	0	0	113.7	M576 L580 T584 W585 T586 V599	M576-T582 HydrophobicContact CE-CG2 3.94Å; L580-T582 VanDerWaalsContact C-N 3.28Å; L580-T582 PolarHBondContact O-N 3.16Å; T582-T584 PolarHBondContact O-N 3.3Å; T582-W585 PolarHBondContact O-N 2.83Å; T582-T586 WeakPolarHBondContact O-CB 3.42Å; T582-T586 PolarHBondContact O-N 3.12Å; T582-T586 PolarHBondContact O-OG1 2.95Å; T582-T586 VanDerWaalsContact O-OG1 3.14Å; T582-V599 HydrophobicContact CG2-CG2 3.45Å; T582-V599 VanDerWaalsContact CG2-CG2 3.45Å
583	S	93.8	Very high	95.5	Very high	37 Å²	37	50.5 Å²	50.5	26%	0.259	26%	0.257	S	S	.	.	H	α-helix	trans	-51.4	-53.6	-168.3	60.2	0	0	0	0	113.6	D581 W585 T586 E587	D581-S583 VanDerWaalsContact C-N 3.29Å; D581-S583 PolarHBondContact O-N 3.2Å; D581-S583 PolarHBondContact OD1-OG 2.89Å; S583-W585 PolarHBondContact O-N 2.94Å; S583-T586 PolarHBondContact O-N 3.33Å; S583-E587 PolarHBondContact O-N 2.94Å
584	T	96.9	Very high	95.5	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.006	26%	0.257	C	S	.	.	H	α-helix	trans	-67.8	-39.4	-175.9	-64.7	0	0	0	0	112.2	I574 T582 L588 I637 H638 L639	I574-T584 HydrophobicContact CB-CG2 3.82Å; I574-T584 HydrophobicContact CG2-CG2 4.16Å; T582-T584 PolarHBondContact O-N 3.3Å; T584-L588 VanDerWaalsContact O-CB 3.25Å; T584-L588 WeakPolarHBondContact O-CB 3.34Å; T584-L588 PolarHBondContact O-N 3.28Å; T584-I637 HydrophobicContact CG2-CG2 4.44Å; T584-I637 WeakPolarHBondContact CG2-O 3.39Å; T584-H638 PolarHBondContact OG1-ND1 2.91Å; T584-L639 HydrophobicContact CG2-CB 4.26Å; T584-L639 HydrophobicContact CG2-CG 4.31Å; T584-L639 PolarHBondContact OG1-N 3.08Å; T584-L639 PolarHBondContact OG1-O 2.88Å
585	W	97.4	Very high	95.5	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.008	26%	0.26	C	S	.	.	H	α-helix	trans	-65	-45.3	174.6	168.2	-99	0	0	0	111	I574 T582 S583 E587 L588 A589 W607 L609 V618	I574-W585 HydrophobicContact CD1-CB 3.9Å; I574-W585 HydrophobicContact CD1-CE3 4.26Å; T582-W585 PolarHBondContact O-N 2.83Å; S583-W585 PolarHBondContact O-N 2.94Å; W585-E587 PolarHBondContact O-N 3.38Å; W585-L588 HydrophobicContact CE3-CD2 4.19Å; W585-L588 HydrophobicContact CZ3-CD2 4.25Å; W585-L588 WeakPolarHBondContact O-CB 3.28Å; W585-L588 PolarHBondContact O-N 2.96Å; W585-A589 HydrophobicContact CZ2-CB 4.22Å; W585-A589 WeakPolarHBondContact O-CB 3.22Å; W585-A589 PolarHBondContact O-N 3.29Å; W585-W607 HydrophobicContact CB-CH2 4.47Å; W585-W607 HydrophobicContact CB-CZ2 4.35Å; W585-W607 AromaticContact CD2-CD2 3.89Å; W585-W607 HydrophobicContact CD2-CD2 3.89Å; W585-W607 AromaticContact CD2-CE2 3.49Å; W585-W607 VanDerWaalsContact CD2-CE2 3.49Å; W585-W607 HydrophobicContact CD2-CE3 4.5Å; W585-W607 HydrophobicContact CD2-CG 4.25Å; W585-W607 HydrophobicContact CD2-CH2 4.49Å; W585-W607 AromaticContact CD2-CZ2 3.84Å; W585-W607 HydrophobicContact CD2-CZ2 3.84Å; W585-W607 AromaticContact CD2-NE1 3.6Å; W585-W607 AromaticContact CE2-CD1 3.64Å; W585-W607 AromaticContact CE2-CE2 3.64Å; W585-W607 AromaticContact CE2-NE1 3.19Å; W585-W607 AromaticContact CE3-CD2 3.61Å; W585-W607 HydrophobicContact CE3-CD2 3.61Å; W585-W607 AromaticContact CE3-CE2 3.76Å; W585-W607 HydrophobicContact CE3-CE3 4.02Å; W585-W607 AromaticContact CE3-CG 3.85Å; W585-W607 HydrophobicContact CE3-CG 3.85Å; W585-W607 HydrophobicContact CE3-CZ2 4.32Å; W585-W607 AromaticContact CE3-NE1 3.99Å; W585-W607 AromaticContact CG-CE2 3.96Å; W585-W607 HydrophobicContact CG-CH2 4.35Å; W585-W607 AromaticContact CG-CZ2 3.79Å; W585-W607 HydrophobicContact CG-CZ2 3.79Å; W585-W607 HydrophobicContact CH2-CB 3.76Å; W585-W607 AromaticContact CH2-CD1 3.23Å; W585-W607 HydrophobicContact CH2-CD2 4.08Å; W585-W607 AromaticContact CH2-CG 3.42Å; W585-W607 HydrophobicContact CH2-CG 3.42Å; W585-W607 VanDerWaalsContact CH2-CG 3.42Å; W585-W607 AromaticContact CH2-NE1 3.73Å; W585-W607 AromaticContact CZ2-CD1 3.2Å; W585-W607 HydrophobicContact CZ2-CD2 4.33Å; W585-W607 AromaticContact CZ2-CG 3.85Å; W585-W607 HydrophobicContact CZ2-CG 3.85Å; W585-W607 AromaticContact CZ2-NE1 3.29Å; W585-W607 VanDerWaalsContact CZ2-NE1 3.29Å; W585-W607 HydrophobicContact CZ3-CB 3.71Å; W585-W607 AromaticContact CZ3-CD1 3.69Å; W585-W607 AromaticContact CZ3-CD2 3.71Å; W585-W607 HydrophobicContact CZ3-CD2 3.71Å; W585-W607 HydrophobicContact CZ3-CE3 4.34Å; W585-W607 AromaticContact CZ3-CG 3.42Å; W585-W607 HydrophobicContact CZ3-CG 3.42Å; W585-W607 VanDerWaalsContact CZ3-CG 3.42Å; W585-W607 AromaticContact NE1-NE1 3.66Å; W585-L609 HydrophobicContact CH2-CD2 4.2Å; W585-V618 HydrophobicContact CE3-CG1 4.41Å; W585-V618 HydrophobicContact CZ3-CB 4.43Å; W585-V618 HydrophobicContact CZ3-CG1 4.35Å; W585-V618 HydrophobicContact CZ3-CG2 4.41Å
586	T	96.7	Very high	95.4	Very high	29 Å²	29	49.3 Å²	49.3	18%	0.178	25%	0.253	C	S	.	.	H	α-helix	trans	-59.7	-47.5	-179.6	-66.3	0	0	0	0	111.6	T582 S583 L588 A589 K590 D596	T582-T586 WeakPolarHBondContact O-CB 3.42Å; T582-T586 PolarHBondContact O-N 3.12Å; T582-T586 PolarHBondContact O-OG1 2.95Å; T582-T586 VanDerWaalsContact O-OG1 3.14Å; S583-T586 PolarHBondContact O-N 3.33Å; T586-L588 VanDerWaalsContact C-N 3.34Å; T586-L588 PolarHBondContact O-N 3.49Å; T586-A589 PolarHBondContact O-N 2.04Å; T586-K590 WeakPolarHBondContact O-CB 3.46Å; T586-K590 PolarHBondContact O-N 3.21Å; T586-D596 HydrophobicContact CG2-CB 4.49Å; T586-D596 WeakPolarHBondContact CG2-O 3.47Å
587	E	97.2	Very high	95.4	Very high	35 Å²	35	53.1 Å²	53.1	16%	0.164	27%	0.273	C	S	.	.	H	α-helix	trans	-68	-34	177.8	-68.4	-57	140.5	0	0	112.7	S583 W585 K590 C591 L639 P641	S583-E587 PolarHBondContact O-N 2.94Å; W585-E587 PolarHBondContact O-N 3.38Å; E587-K590 IonicContact OE2-NZ 2.73Å; E587-C591 PolarHBondContact O-N 3.24Å; E587-L639 HydrophobicContact CB-CB 3.87Å; E587-L639 HydrophobicContact CB-CD1 4.31Å; E587-P641 HydrophobicContact CG-CB 4.42Å; E587-P641 WeakPolarHBondContact OE1-CB 3.42Å
588	L	97.8	Very high	95.4	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.01	26%	0.262	C	S	.	.	H	α-helix	trans	-63.8	-48.8	172.3	176.5	65.3	0	0	0	111.2	P556 M572 I574 T584 W585 T586 K590 C591 L592 V618 L639	P556-L588 HydrophobicContact CB-CD1 4.07Å; P556-L588 HydrophobicContact CG-CD1 4.41Å; M572-L588 HydrophobicContact CE-CD1 4.19Å; M572-L588 HydrophobicContact CE-CD2 3.41Å; M572-L588 VanDerWaalsContact CE-CD2 3.41Å; M572-L588 HydrophobicContact CE-CG 4.37Å; I574-L588 HydrophobicContact CG2-CD2 4.23Å; T584-L588 VanDerWaalsContact O-CB 3.25Å; T584-L588 WeakPolarHBondContact O-CB 3.34Å; T584-L588 PolarHBondContact O-N 3.28Å; W585-L588 HydrophobicContact CE3-CD2 4.19Å; W585-L588 HydrophobicContact CZ3-CD2 4.25Å; W585-L588 WeakPolarHBondContact O-CB 3.28Å; W585-L588 PolarHBondContact O-N 2.96Å; T586-L588 VanDerWaalsContact C-N 3.34Å; T586-L588 PolarHBondContact O-N 3.49Å; L588-K590 VanDerWaalsContact C-N 3.28Å; L588-K590 PolarHBondContact O-N 2.85Å; L588-C591 PolarHBondContact O-N 2.8Å; L588-C591 PolarHBondContact O-SG 3.48Å; L588-L592 HydrophobicContact CD1-CD1 3.94Å; L588-L592 HydrophobicContact CD1-CG 4.12Å; L588-L592 HydrophobicContact CG-CD1 3.91Å; L588-L592 HydrophobicContact CG-CG 4.42Å; L588-L592 WeakPolarHBondContact O-CB 3.37Å; L588-L592 VanDerWaalsContact O-CG 3.22Å; L588-L592 WeakPolarHBondContact O-CG 3.41Å; L588-L592 PolarHBondContact O-N 3.48Å; L588-V618 HydrophobicContact CD2-CG1 4.14Å; L588-L639 HydrophobicContact CB-CD1 3.95Å
589	A	98.1	Very high	95.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-58.7	-42.5	178.5	0	0	0	0	0	111.3	W585 T586 L592 H593 V594 D596	W585-A589 HydrophobicContact CZ2-CB 4.22Å; W585-A589 WeakPolarHBondContact O-CB 3.22Å; W585-A589 PolarHBondContact O-N 3.29Å; T586-A589 PolarHBondContact O-N 2.04Å; A589-L592 CarbonylContact O-C 3.54Å; A589-L592 PolarHBondContact O-N 3.47Å; A589-H593 PolarHBondContact O-N 3.21Å; A589-H593 VanDerWaalsContact O-N 3.12Å; A589-V594 HydrophobicContact CB-CG2 3.87Å; A589-V594 WeakPolarHBondContact O-CG2 3.24Å; A589-V594 PolarHBondContact O-N 3.36Å; A589-D596 HydrophobicContact CB-CB 3.99Å
590	K	96.9	Very high	95.9	Very high	95 Å²	95	41.9 Å²	41.9	41%	0.413	22%	0.219	S	C	.	.	H	α-helix	trans	-59.9	-47.8	176.3	-176.5	177.4	175.4	-172.1	0	112.8	T586 E587 L588 L592 H593 D596	T586-K590 WeakPolarHBondContact O-CB 3.46Å; T586-K590 PolarHBondContact O-N 3.21Å; E587-K590 IonicContact OE2-NZ 2.73Å; L588-K590 VanDerWaalsContact C-N 3.28Å; L588-K590 PolarHBondContact O-N 2.85Å; K590-L592 VanDerWaalsContact C-N 3.31Å; K590-L592 PolarHBondContact O-N 3.31Å; K590-H593 PolarHBondContact O-N 3.41Å; K590-H593 VanDerWaalsContact O-N 3.09Å; K590-H593 PolarHBondContact O-ND1 3.31Å; K590-D596 HydrophobicContact CB-CB 4.16Å; K590-D596 WeakPolarHBondContact CB-OD2 3.47Å; K590-D596 WeakPolarHBondContact CG-OD2 3.42Å
591	C	96.2	Very high	96.2	Very high	36 Å²	36	35 Å²	35	24%	0.243	19%	0.186	C	C	.	.	H	α-helix	trans	-73.7	-23.3	179.6	76.6	0	0	0	0	113.2	C557 E587 L588 H593	C557-C591 WeakPolarHBondContact CA-SG 3.42Å; C557-C591 HydrophobicContact CB-CB 3.54Å; C557-C591 WeakPolarHBondContact CB-SG 2.98Å; C557-C591 WeakPolarHBondContact SG-CB 3Å; C557-C591 CovalentContact SG-SG 2.04Å; C557-C591 PolarHBondContact SG-SG 2.94Å; E587-C591 PolarHBondContact O-N 3.24Å; L588-C591 PolarHBondContact O-N 2.8Å; L588-C591 PolarHBondContact O-SG 3.48Å; C591-H593 PolarHBondContact O-N 3.29Å
592	L	97	Very high	96.5	Very high	12 Å²	12	36 Å²	36	6%	0.063	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-4.5	169.2	-66.8	178	0	0	0	113.2	H427 L588 A589 K590 V594 L609	H427-L592 PolarHBondContact NE2-O 3.19Å; L588-L592 HydrophobicContact CD1-CD1 3.94Å; L588-L592 HydrophobicContact CD1-CG 4.12Å; L588-L592 HydrophobicContact CG-CD1 3.91Å; L588-L592 HydrophobicContact CG-CG 4.42Å; L588-L592 WeakPolarHBondContact O-CB 3.37Å; L588-L592 VanDerWaalsContact O-CG 3.22Å; L588-L592 WeakPolarHBondContact O-CG 3.41Å; L588-L592 PolarHBondContact O-N 3.48Å; A589-L592 CarbonylContact O-C 3.54Å; A589-L592 PolarHBondContact O-N 3.47Å; K590-L592 VanDerWaalsContact C-N 3.31Å; K590-L592 PolarHBondContact O-N 3.31Å; L592-V594 VanDerWaalsContact C-N 3.35Å; L592-V594 HydrophobicContact CB-CG1 4.49Å; L592-V594 HydrophobicContact CB-CG2 4.2Å; L592-V594 PolarHBondContact O-N 3.42Å; L592-L609 HydrophobicContact CD1-CD2 4.35Å
593	H	97.3	Very high	96.8	Very high	147 Å²	147	34 Å²	34	68%	0.681	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.7	47	-176.6	-56	-57.6	0	0	0	112.9	A589 K590 C591	A589-H593 PolarHBondContact O-N 3.21Å; A589-H593 VanDerWaalsContact O-N 3.12Å; K590-H593 PolarHBondContact O-N 3.41Å; K590-H593 VanDerWaalsContact O-N 3.09Å; K590-H593 PolarHBondContact O-ND1 3.31Å; C591-H593 PolarHBondContact O-N 3.29Å
594	V	97.9	Very high	97	Very high	3 Å²	3	36.8 Å²	36.8	2%	0.018	18%	0.18	C	C	.	.	S	Bend	trans	-121.7	-172.9	172.9	-58.6	0	0	0	0	110.5	Q423 Y425 T428 A589 L592 D596	Q423-V594 VanDerWaalsContact OE1-CB 3.24Å; Y425-V594 HydrophobicContact CD2-CB 3.79Å; Y425-V594 HydrophobicContact CD2-CG1 3.67Å; Y425-V594 HydrophobicContact CE2-CB 3.78Å; Y425-V594 HydrophobicContact CE2-CG1 4.2Å; Y425-V594 HydrophobicContact CG-CG1 4.26Å; T428-V594 HydrophobicContact CG2-CG1 3.65Å; A589-V594 HydrophobicContact CB-CG2 3.87Å; A589-V594 WeakPolarHBondContact O-CG2 3.24Å; A589-V594 PolarHBondContact O-N 3.36Å; L592-V594 VanDerWaalsContact C-N 3.35Å; L592-V594 HydrophobicContact CB-CG1 4.49Å; L592-V594 HydrophobicContact CB-CG2 4.2Å; L592-V594 PolarHBondContact O-N 3.42Å; V594-D596 PolarHBondContact O-N 3.02Å
595	W	98	Very high	97	Very high	13 Å²	13	37 Å²	37	5%	0.049	18%	0.182	C	C	.	.			trans	-67	119.2	-174.9	-177.7	-82.1	0	0	0	112.3	D422 Q423 Y425 F507 Y511 F512 L597 D598 R600	D422-W595 WeakPolarHBondContact O-CB 3.4Å; Q423-W595 PolarHBondContact NE2-O 3.33Å; Q423-W595 VanDerWaalsContact OE1-N 3.15Å; Y425-W595 HydrophobicContact CE2-CB 4.47Å; F507-W595 HydrophobicContact CZ-CH2 4.06Å; F507-W595 HydrophobicContact CZ-CZ3 4.43Å; Y511-W595 HydrophobicContact CD1-CE3 4.01Å; Y511-W595 HydrophobicContact CD1-CZ3 4.43Å; Y511-W595 HydrophobicContact CG-CE3 4.24Å; Y511-W595 HydrophobicContact CG-CZ3 4.23Å; F512-W595 HydrophobicContact CE2-CZ3 4.05Å; F512-W595 AromaticContact CZ-CZ3 3.97Å; F512-W595 HydrophobicContact CZ-CZ3 3.97Å; W595-L597 HydrophobicContact CH2-CD1 3.73Å; W595-L597 HydrophobicContact CZ2-CB 3.87Å; W595-L597 HydrophobicContact CZ2-CD1 3.77Å; W595-L597 HydrophobicContact CZ2-CG 4.29Å; W595-L597 HydrophobicContact CZ3-CD1 4.25Å; W595-D598 VanDerWaalsContact CE2-OD1 3.31Å; W595-D598 VanDerWaalsContact CZ2-OD1 3.24Å; W595-D598 WeakPolarHBondContact CZ2-OD1 3.29Å; W595-D598 PolarHBondContact NE1-O 2.72Å; W595-D598 PolarHBondContact NE1-OD1 2.98Å; W595-R600 VanDerWaalsContact CE2-CZ 3.45Å
596	D	96.8	Very high	97.1	Very high	27 Å²	27	37 Å²	37	14%	0.144	18%	0.182	C	C	.	.			trans	-126.8	0.5	-173.6	69.9	-26.9	0	0	0	114.9	Y511 T586 A589 K590 V594	Y511-D596 WeakPolarHBondContact CE1-OD1 3.21Å; Y511-D596 VanDerWaalsContact CZ-OD1 3.26Å; Y511-D596 PolarHBondContact OH-OD1 2.97Å; T586-D596 HydrophobicContact CG2-CB 4.49Å; T586-D596 WeakPolarHBondContact CG2-O 3.47Å; A589-D596 HydrophobicContact CB-CB 3.99Å; K590-D596 HydrophobicContact CB-CB 4.16Å; K590-D596 WeakPolarHBondContact CB-OD2 3.47Å; K590-D596 WeakPolarHBondContact CG-OD2 3.42Å; V594-D596 PolarHBondContact O-N 3.02Å
597	L	95.6	Very high	97.2	Very high	89 Å²	89	35.9 Å²	35.9	47%	0.466	18%	0.175	S	C	.	.	S	Bend	trans	-74.8	-33.9	-175.1	-61.4	174.3	0	0	0	113.9	F507 Y511 W595	F507-L597 HydrophobicContact CE2-CD1 3.29Å; F507-L597 HydrophobicContact CZ-CD1 3.38Å; Y511-L597 HydrophobicContact CD2-CD1 4.12Å; Y511-L597 HydrophobicContact CE1-CD1 4.44Å; Y511-L597 HydrophobicContact CE1-CG 4.21Å; Y511-L597 HydrophobicContact CE2-CD1 3.79Å; Y511-L597 HydrophobicContact CE2-CD2 4.15Å; Y511-L597 HydrophobicContact CE2-CG 4.09Å; Y511-L597 WeakPolarHBondContact OH-CD2 3.5Å; W595-L597 HydrophobicContact CH2-CD1 3.73Å; W595-L597 HydrophobicContact CZ2-CB 3.87Å; W595-L597 HydrophobicContact CZ2-CD1 3.77Å; W595-L597 HydrophobicContact CZ2-CG 4.29Å; W595-L597 HydrophobicContact CZ3-CD1 4.25Å
598	D	93.4	Very high	97.2	Very high	60 Å²	60	35.3 Å²	35.3	32%	0.321	17%	0.171	S	C	.	.	S	Bend	trans	-149.9	156	173.4	64.9	-67.1	0	0	0	108.9	W595 R600	W595-D598 VanDerWaalsContact CE2-OD1 3.31Å; W595-D598 VanDerWaalsContact CZ2-OD1 3.24Å; W595-D598 WeakPolarHBondContact CZ2-OD1 3.29Å; W595-D598 PolarHBondContact NE1-O 2.72Å; W595-D598 PolarHBondContact NE1-OD1 2.98Å; D598-R600 PolarHBondContact O-N 3.17Å; D598-R600 IonicContact OD1-CZ 2.73Å; D598-R600 IonicContact OD1-NE 3.8Å; D598-R600 PolarHBondContact OD1-NE 2.83Å; D598-R600 VanDerWaalsContact OD1-NE 3.14Å; D598-R600 IonicContact OD1-NH2 3.36Å; D598-R600 PolarHBondContact OD1-NH2 2.91Å; D598-R600 IonicContact OD2-CZ 2.77Å; D598-R600 IonicContact OD2-NE 3.02Å; D598-R600 PolarHBondContact OD2-NE 2.86Å; D598-R600 IonicContact OD2-NH2 3.71Å; D598-R600 PolarHBondContact OD2-NH2 3.14Å
599	V	95.8	Very high	97.3	Very high	35 Å²	35	35.4 Å²	35.4	21%	0.212	17%	0.172	C	C	.	.			trans	-75.2	119.6	-172.8	-178.4	0	0	0	0	111	T582 Y602 W607	T582-V599 HydrophobicContact CG2-CG2 3.45Å; T582-V599 VanDerWaalsContact CG2-CG2 3.45Å; V599-Y602 HydrophobicContact CG1-CD1 3.8Å; V599-Y602 HydrophobicContact CG1-CE1 4.11Å; V599-W607 HydrophobicContact CG1-CZ2 3.69Å
600	R	97.4	Very high	97.3	Very high	19 Å²	19	36.2 Å²	36.2	7%	0.072	18%	0.175	C	C	.	.			trans	-136.5	168.3	-179.5	-58.6	-170.4	-174.1	172.2	10.5	112.1	D422 W595 D598 Y602 W607	D422-R600 HydrophobicContact CB-CB 3.78Å; D422-R600 HydrophobicContact CB-CG 4.41Å; D422-R600 VanDerWaalsContact OD1-CD 3.25Å; D422-R600 WeakPolarHBondContact OD1-CD 3.18Å; D422-R600 IonicContact OD1-CZ 3.33Å; D422-R600 IonicContact OD1-NE 2.77Å; D422-R600 IonicContact OD1-NH1 3.35Å; D422-R600 PolarHBondContact OD1-NH1 3.45Å; W595-R600 VanDerWaalsContact CE2-CZ 3.45Å; D598-R600 PolarHBondContact O-N 3.17Å; D598-R600 IonicContact OD1-CZ 2.73Å; D598-R600 IonicContact OD1-NE 3.8Å; D598-R600 PolarHBondContact OD1-NE 2.83Å; D598-R600 VanDerWaalsContact OD1-NE 3.14Å; D598-R600 IonicContact OD1-NH2 3.36Å; D598-R600 PolarHBondContact OD1-NH2 2.91Å; D598-R600 IonicContact OD2-CZ 2.77Å; D598-R600 IonicContact OD2-NE 3.02Å; D598-R600 PolarHBondContact OD2-NE 2.86Å; D598-R600 IonicContact OD2-NH2 3.71Å; D598-R600 PolarHBondContact OD2-NH2 3.14Å; R600-Y602 VanDerWaalsContact C-N 3.3Å; R600-Y602 PolarHBondContact O-N 3.31Å; R600-W607 VanDerWaalsContact O-CD1 3.31Å; R600-W607 PolarHBondContact O-NE1 3.07Å
601	G	96.8	Very high	97.3	Very high	12 Å²	12	32.4 Å²	32.4	12%	0.124	16%	0.158	C	C	.	.	S	Bend	trans	74.1	15	173.6	0	0	0	0	0	115.3
602	Y	97.6	Very high	97.3	Very high	55 Å²	55	33.9 Å²	33.9	22%	0.216	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	153.7	-177.9	77.4	-84.9	0	0	0	112.8	V438 E439 V599 R600 L606 W607	V438-Y602 WeakPolarHBondContact CA-O 3.45Å; E439-Y602 HydrophobicContact CB-CD2 4.32Å; E439-Y602 HydrophobicContact CB-CE2 3.8Å; E439-Y602 HydrophobicContact CG-CE2 4.26Å; E439-Y602 PolarHBondContact N-O 2.92Å; E439-Y602 VanDerWaalsContact OE2-CE2 3.24Å; E439-Y602 WeakPolarHBondContact OE2-CE2 3.5Å; V599-Y602 HydrophobicContact CG1-CD1 3.8Å; V599-Y602 HydrophobicContact CG1-CE1 4.11Å; R600-Y602 VanDerWaalsContact C-N 3.3Å; R600-Y602 PolarHBondContact O-N 3.31Å; Y602-L606 CarbonylContact C-O 3.11Å; Y602-L606 VanDerWaalsContact CA-O 3.31Å; Y602-L606 WeakPolarHBondContact CA-O 3.49Å; Y602-W607 VanDerWaalsContact CB-CE2 3.43Å; Y602-W607 HydrophobicContact CG-CZ2 4.25Å
603	H	98.4	Very high	97.3	Very high	5 Å²	5	39.7 Å²	39.7	2%	0.023	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	111.3	170.6	163.5	80.5	0	0	0	107.8	R437 E484 Y536 E537 G605 L606 Y626	R437-H603 WeakPolarHBondContact O-CB 3.46Å; E484-H603 IonicContact OE1-CE1 3.93Å; E484-H603 IonicContact OE1-CG 3.23Å; E484-H603 IonicContact OE1-ND1 3.56Å; E484-H603 PolarHBondContact OE1-ND1 3.48Å; E484-H603 IonicContact OE2-ND1 3.22Å; Y536-H603 AromaticContact CD1-CE1 3.9Å; Y536-H603 AromaticContact CD1-NE2 3.86Å; Y536-H603 AromaticContact CE1-CD2 3.85Å; Y536-H603 AromaticContact CE1-CG 3.98Å; Y536-H603 AromaticContact CE1-NE2 3.88Å; E537-H603 IonicContact OE1-CE1 2.81Å; E537-H603 PolarHBondContact OE1-CE1 2.8Å; E537-H603 IonicContact OE1-NE2 3.22Å; E537-H603 PolarHBondContact OE1-NE2 3.49Å; H603-G605 VanDerWaalsContact C-N 3.27Å; H603-G605 PolarHBondContact O-N 3.25Å; H603-L606 PolarHBondContact N-O 3.04Å; H603-L606 VanDerWaalsContact O-CB 3.28Å; H603-L606 WeakPolarHBondContact O-CB 3.36Å; H603-L606 PolarHBondContact O-N 3.47Å; H603-Y626 PolarHBondContact CD2-OH 3.09Å; H603-Y626 PolarHBondContact NE2-OH 2.66Å
604	R	97.7	Very high	97.4	Very high	96 Å²	96	32.7 Å²	32.7	36%	0.362	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	45.2	179.2	-60.1	-179.4	161.4	-168.1	-8.9	113.4	E439 E537 L606 S624 P625 Y626	E439-R604 WeakPolarHBondContact OE1-CA 3.47Å; E439-R604 WeakPolarHBondContact OE1-CG 3.5Å; E439-R604 PolarHBondContact OE1-N 3.24Å; E537-R604 WeakPolarHBondContact OE1-CD 3.43Å; E537-R604 IonicContact OE1-CZ 2.67Å; E537-R604 IonicContact OE1-NE 3.26Å; E537-R604 IonicContact OE1-NH1 2.72Å; E537-R604 PolarHBondContact OE1-NH1 2.93Å; E537-R604 IonicContact OE2-NH1 3.21Å; E537-R604 PolarHBondContact OE2-NH1 3.04Å; R604-L606 PolarHBondContact O-N 3Å; R604-S624 WeakPolarHBondContact O-CA 2.97Å; R604-S624 VanDerWaalsContact O-CB 3.29Å; R604-S624 WeakPolarHBondContact O-CB 3.48Å; R604-S624 PolarHBondContact O-OG 3.33Å; R604-P625 HydrophobicContact CB-CG 4.06Å; R604-P625 WeakPolarHBondContact O-CD 2.91Å; R604-Y626 HydrophobicContact CB-CE2 4.06Å
605	G	97.5	Very high	97.4	Very high	6 Å²	6	33.2 Å²	33.2	6%	0.062	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.7	18.4	-177.2	0	0	0	0	0	115	H603 W607 I619 A620	H603-G605 VanDerWaalsContact C-N 3.27Å; H603-G605 PolarHBondContact O-N 3.25Å; G605-W607 WeakPolarHBondContact O-CZ3 3.45Å; G605-I619 WeakPolarHBondContact O-CA 3.34Å; G605-A620 WeakPolarHBondContact O-CB 3.23Å; G605-A620 PolarHBondContact O-N 3.33Å
606	L	98.7	Very high	97.4	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.01	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	130	168.1	169.6	69	0	0	0	109.8	I540 Y602 H603 R604 R608 L617 V618 I619 Y626	I540-L606 HydrophobicContact CD1-CD2 3.77Å; I540-L606 HydrophobicContact CG1-CD2 4.23Å; I540-L606 HydrophobicContact CG2-CD2 3.66Å; Y602-L606 CarbonylContact C-O 3.11Å; Y602-L606 VanDerWaalsContact CA-O 3.31Å; Y602-L606 WeakPolarHBondContact CA-O 3.49Å; H603-L606 PolarHBondContact N-O 3.04Å; H603-L606 VanDerWaalsContact O-CB 3.28Å; H603-L606 WeakPolarHBondContact O-CB 3.36Å; H603-L606 PolarHBondContact O-N 3.47Å; R604-L606 PolarHBondContact O-N 3Å; L606-R608 HydrophobicContact CD1-CG 4.41Å; L606-R608 HydrophobicContact CD2-CG 4.11Å; L606-R608 HydrophobicContact CG-CG 4.06Å; L606-L617 HydrophobicContact CD1-CB 3.93Å; L606-L617 HydrophobicContact CD1-CD2 4.41Å; L606-V618 CarbonylContact C-O 3.56Å; L606-V618 VanDerWaalsContact CA-O 3.29Å; L606-V618 WeakPolarHBondContact CA-O 3.48Å; L606-I619 HydrophobicContact CD1-CG1 3.94Å; L606-Y626 HydrophobicContact CB-CD2 3.78Å; L606-Y626 HydrophobicContact CB-CE2 3.76Å; L606-Y626 HydrophobicContact CD2-CD2 4.4Å; L606-Y626 HydrophobicContact CD2-CE2 4.13Å
607	W	98.8	Very high	97.5	Very high	5 Å²	5	31.4 Å²	31.4	2%	0.019	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	144.8	163.1	-63.3	-103.5	0	0	0	110	I574 M576 W585 V599 R600 Y602 G605 V618 A620	I574-W607 HydrophobicContact CD1-CZ3 4.17Å; M576-W607 HydrophobicContact SD-CH2 3.9Å; W585-W607 HydrophobicContact CB-CH2 4.47Å; W585-W607 HydrophobicContact CB-CZ2 4.35Å; W585-W607 AromaticContact CD2-CD2 3.89Å; W585-W607 HydrophobicContact CD2-CD2 3.89Å; W585-W607 AromaticContact CD2-CE2 3.49Å; W585-W607 VanDerWaalsContact CD2-CE2 3.49Å; W585-W607 HydrophobicContact CD2-CE3 4.5Å; W585-W607 HydrophobicContact CD2-CG 4.25Å; W585-W607 HydrophobicContact CD2-CH2 4.49Å; W585-W607 AromaticContact CD2-CZ2 3.84Å; W585-W607 HydrophobicContact CD2-CZ2 3.84Å; W585-W607 AromaticContact CD2-NE1 3.6Å; W585-W607 AromaticContact CE2-CD1 3.64Å; W585-W607 AromaticContact CE2-CE2 3.64Å; W585-W607 AromaticContact CE2-NE1 3.19Å; W585-W607 AromaticContact CE3-CD2 3.61Å; W585-W607 HydrophobicContact CE3-CD2 3.61Å; W585-W607 AromaticContact CE3-CE2 3.76Å; W585-W607 HydrophobicContact CE3-CE3 4.02Å; W585-W607 AromaticContact CE3-CG 3.85Å; W585-W607 HydrophobicContact CE3-CG 3.85Å; W585-W607 HydrophobicContact CE3-CZ2 4.32Å; W585-W607 AromaticContact CE3-NE1 3.99Å; W585-W607 AromaticContact CG-CE2 3.96Å; W585-W607 HydrophobicContact CG-CH2 4.35Å; W585-W607 AromaticContact CG-CZ2 3.79Å; W585-W607 HydrophobicContact CG-CZ2 3.79Å; W585-W607 HydrophobicContact CH2-CB 3.76Å; W585-W607 AromaticContact CH2-CD1 3.23Å; W585-W607 HydrophobicContact CH2-CD2 4.08Å; W585-W607 AromaticContact CH2-CG 3.42Å; W585-W607 HydrophobicContact CH2-CG 3.42Å; W585-W607 VanDerWaalsContact CH2-CG 3.42Å; W585-W607 AromaticContact CH2-NE1 3.73Å; W585-W607 AromaticContact CZ2-CD1 3.2Å; W585-W607 HydrophobicContact CZ2-CD2 4.33Å; W585-W607 AromaticContact CZ2-CG 3.85Å; W585-W607 HydrophobicContact CZ2-CG 3.85Å; W585-W607 AromaticContact CZ2-NE1 3.29Å; W585-W607 VanDerWaalsContact CZ2-NE1 3.29Å; W585-W607 HydrophobicContact CZ3-CB 3.71Å; W585-W607 AromaticContact CZ3-CD1 3.69Å; W585-W607 AromaticContact CZ3-CD2 3.71Å; W585-W607 HydrophobicContact CZ3-CD2 3.71Å; W585-W607 HydrophobicContact CZ3-CE3 4.34Å; W585-W607 AromaticContact CZ3-CG 3.42Å; W585-W607 HydrophobicContact CZ3-CG 3.42Å; W585-W607 VanDerWaalsContact CZ3-CG 3.42Å; W585-W607 AromaticContact NE1-NE1 3.66Å; V599-W607 HydrophobicContact CG1-CZ2 3.69Å; R600-W607 VanDerWaalsContact O-CD1 3.31Å; R600-W607 PolarHBondContact O-NE1 3.07Å; Y602-W607 VanDerWaalsContact CB-CE2 3.43Å; Y602-W607 HydrophobicContact CG-CZ2 4.25Å; G605-W607 WeakPolarHBondContact O-CZ3 3.45Å; W607-V618 HydrophobicContact CB-CB 4.14Å; W607-V618 HydrophobicContact CB-CG2 4.47Å; W607-V618 HydrophobicContact CE3-CB 4.45Å; W607-V618 HydrophobicContact CE3-CG1 4.49Å; W607-V618 PolarHBondContact N-O 2.95Å; W607-V618 PolarHBondContact O-N 2.76Å; W607-A620 HydrophobicContact CH2-CB 4.23Å; W607-A620 HydrophobicContact CZ3-CB 3.77Å
608	R	98.8	Very high	97.7	Very high	23 Å²	23	27.2 Å²	27.2	9%	0.087	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	124.4	178.1	-62	175.9	60.5	-171.4	-2.4	108	Y436 Y536 L606 H615 L617	Y436-R608 HydrophobicContact CD1-CB 4.49Å; Y436-R608 VanDerWaalsContact CD1-CZ 3.48Å; Y436-R608 HydrophobicContact CE1-CB 4.12Å; Y436-R608 VanDerWaalsContact CE1-CZ 3.41Å; Y536-R608 PolarHBondContact OH-NH1 3.06Å; L606-R608 HydrophobicContact CD1-CG 4.41Å; L606-R608 HydrophobicContact CD2-CG 4.11Å; L606-R608 HydrophobicContact CG-CG 4.06Å; R608-H615 PolarHBondContact NE-NE2 3.02Å; R608-H615 PolarHBondContact NH2-CE1 2.75Å; R608-H615 PolarHBondContact NH2-NE2 3.24Å; R608-L617 HydrophobicContact CG-CD2 3.9Å
609	L	98.5	Very high	97.9	Very high	4 Å²	4	24.3 Å²	24.3	2%	0.021	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	175	179.7	61.4	87.3	0	0	0	109.7	W585 L592 R611 I616	W585-L609 HydrophobicContact CH2-CD2 4.2Å; L592-L609 HydrophobicContact CD1-CD2 4.35Å; L609-R611 HydrophobicContact CD1-CG 3.82Å; L609-I616 HydrophobicContact CD1-CB 3.93Å; L609-I616 HydrophobicContact CD1-CG1 4.13Å; L609-I616 HydrophobicContact CG-CB 4.41Å; L609-I616 PolarHBondContact N-O 3.01Å; L609-I616 PolarHBondContact O-N 3.45Å
610	F	98.6	Very high	98	Very high	17 Å²	17	22.7 Å²	22.7	8%	0.075	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	146.6	174.7	-70.3	-98.7	0	0	0	112.3	T428 E430 D431 L434 D489 N614 H615	T428-F610 WeakPolarHBondContact CA-O 3.34Å; T428-F610 WeakPolarHBondContact O-CB 3.46Å; T428-F610 PolarHBondContact O-N 3.22Å; E430-F610 HydrophobicContact CB-CB 4.31Å; E430-F610 HydrophobicContact CB-CD1 3.67Å; E430-F610 HydrophobicContact CB-CD2 3.99Å; E430-F610 HydrophobicContact CB-CE1 3.91Å; E430-F610 HydrophobicContact CB-CE2 4.22Å; E430-F610 HydrophobicContact CB-CG 3.71Å; E430-F610 HydrophobicContact CB-CZ 4.18Å; E430-F610 HydrophobicContact CG-CD1 4.34Å; E430-F610 HydrophobicContact CG-CE1 4.46Å; D431-F610 HydrophobicContact CB-CZ 4.45Å; L434-F610 HydrophobicContact CD2-CE2 4.03Å; L434-F610 HydrophobicContact CD2-CZ 3.98Å; D489-F610 WeakPolarHBondContact OD2-CE2 3.46Å; F610-N614 CarbonylContact C-O 3.58Å; F610-N614 VanDerWaalsContact CA-O 3.23Å; F610-N614 WeakPolarHBondContact CA-O 3.25Å; F610-H615 HydrophobicContact CD1-CB 4.3Å; F610-H615 HydrophobicContact CE1-CB 3.84Å; F610-H615 HydrophobicContact CZ-CB 4.2Å
611	R	97.5	Very high	98.1	Very high	15 Å²	15	22.5 Å²	22.5	6%	0.057	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	129.5	164.1	-70.6	-172.7	69.3	-169.4	0.2	108.9	P556 E558 D559 V562 L609 R613 N614 I616	P556-R611 PolarHBondContact O-NH1 3.1Å; E558-R611 PolarHBondContact O-NH2 3.21Å; D559-R611 IonicContact OD1-NH2 3.76Å; D559-R611 PolarHBondContact OD1-NH2 3.33Å; V562-R611 HydrophobicContact CG2-CB 4.11Å; L609-R611 HydrophobicContact CD1-CG 3.82Å; R611-R613 PolarHBondContact O-N 3.49Å; R611-N614 PolarHBondContact N-O 2.97Å; R611-N614 WeakPolarHBondContact O-CB 3.44Å; R611-N614 PolarHBondContact O-N 3.32Å; R611-N614 PolarHBondContact O-ND2 2.71Å; R611-I616 HydrophobicContact CB-CD1 4.28Å; R611-I616 HydrophobicContact CB-CG1 3.86Å; R611-I616 HydrophobicContact CG-CG1 4.05Å
612	K	95.9	Very high	98.1	Very high	67 Å²	67	26 Å²	26	29%	0.291	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	41	-175.4	-57.6	-179.1	177.3	178.2	0	112.4	D559 V562 D564 N614	D559-K612 VanDerWaalsContact O-CE 3.28Å; D559-K612 WeakPolarHBondContact O-CE 3.25Å; D559-K612 PolarHBondContact O-NZ 3.23Å; V562-K612 PolarHBondContact O-NZ 3.12Å; V562-K612 VanDerWaalsContact O-NZ 3.09Å; D564-K612 IonicContact OD1-NZ 3.76Å; D564-K612 PolarHBondContact OD1-NZ 3.07Å; K612-N614 PolarHBondContact O-N 3.12Å; K612-N614 VanDerWaalsContact O-N 3.14Å; K612-N614 PolarHBondContact O-ND2 3.22Å
613	R	97	Very high	98	Very high	133 Å²	133	26.3 Å²	26.3	50%	0.502	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	11.9	-178	-47.9	175.6	72.1	-147	-12.5	115.1	E430 D566 G567 R611	E430-R613 IonicContact OE1-CZ 3.45Å; E430-R613 IonicContact OE1-NE 2.96Å; E430-R613 PolarHBondContact OE1-NE 3.17Å; E430-R613 IonicContact OE1-NH2 2.92Å; D566-R613 WeakPolarHBondContact OD1-CB 3.37Å; D566-R613 IonicContact OD1-CZ 3.39Å; D566-R613 IonicContact OD1-NE 3.76Å; D566-R613 IonicContact OD1-NH1 3.52Å; D566-R613 IonicContact OD2-CZ 3.29Å; D566-R613 VanDerWaalsContact OD2-CZ 3.27Å; D566-R613 IonicContact OD2-NE 4Å; D566-R613 IonicContact OD2-NH1 3.85Å; D566-R613 PolarHBondContact OD2-NH1 3.35Å; D566-R613 IonicContact OD2-NH2 2.93Å; G567-R613 PolarHBondContact N-O 3.28Å; R611-R613 PolarHBondContact O-N 3.49Å
614	N	98.3	Very high	98	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	142.6	170.7	-56.1	-69.8	0	0	0	110.3	T565 D566 G567 K568 Y570 F610 R611 K612 I616	T565-N614 PolarHBondContact O-ND2 3.1Å; T565-N614 PolarHBondContact O-OD1 3.4Å; T565-N614 PolarHBondContact OG1-OD1 2.97Å; D566-N614 WeakPolarHBondContact CA-OD1 3.19Å; D566-N614 PolarHBondContact N-OD1 3.26Å; G567-N614 PolarHBondContact N-OD1 3.46Å; K568-N614 WeakPolarHBondContact CB-OD1 3.33Å; K568-N614 PolarHBondContact N-OD1 2.9Å; K568-N614 CarbonylContact O-C 3.51Å; K568-N614 WeakPolarHBondContact O-CA 3.35Å; K568-N614 WeakPolarHBondContact O-CB 3.39Å; Y570-N614 HydrophobicContact CD2-CB 3.77Å; Y570-N614 HydrophobicContact CE2-CB 3.9Å; F610-N614 CarbonylContact C-O 3.58Å; F610-N614 VanDerWaalsContact CA-O 3.23Å; F610-N614 WeakPolarHBondContact CA-O 3.25Å; R611-N614 PolarHBondContact N-O 2.97Å; R611-N614 WeakPolarHBondContact O-CB 3.44Å; R611-N614 PolarHBondContact O-N 3.32Å; R611-N614 PolarHBondContact O-ND2 2.71Å; K612-N614 PolarHBondContact O-N 3.12Å; K612-N614 VanDerWaalsContact O-N 3.14Å; K612-N614 PolarHBondContact O-ND2 3.22Å; N614-I616 HydrophobicContact CB-CD1 4.27Å
615	H	98.6	Very high	98	Very high	15 Å²	15	24.9 Å²	24.9	7%	0.069	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	121	178.6	-172.9	-156.9	0	0	0	109.3	K568 T569 Y570 R608 F610	K568-H615 PolarHBondContact O-N 2.93Å; T569-H615 CarbonylContact C-O 3.59Å; T569-H615 WeakPolarHBondContact CA-O 3.24Å; Y570-H615 PolarHBondContact N-O 3Å; R608-H615 PolarHBondContact NE-NE2 3.02Å; R608-H615 PolarHBondContact NH2-CE1 2.75Å; R608-H615 PolarHBondContact NH2-NE2 3.24Å; F610-H615 HydrophobicContact CD1-CB 4.3Å; F610-H615 HydrophobicContact CE1-CB 3.84Å; F610-H615 HydrophobicContact CZ-CB 4.2Å
616	I	98.6	Very high	98	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	123.9	-175.8	-48.2	-56.2	0	0	0	109.1	V562 Y570 M572 L609 R611 N614 V618	V562-I616 HydrophobicContact CG1-CD1 4.2Å; V562-I616 HydrophobicContact CG2-CD1 4.13Å; Y570-I616 HydrophobicContact CD2-CD1 4.03Å; Y570-I616 HydrophobicContact CG-CD1 4.39Å; M572-I616 HydrophobicContact CE-CG2 4.38Å; L609-I616 HydrophobicContact CD1-CB 3.93Å; L609-I616 HydrophobicContact CD1-CG1 4.13Å; L609-I616 HydrophobicContact CG-CB 4.41Å; L609-I616 PolarHBondContact N-O 3.01Å; L609-I616 PolarHBondContact O-N 3.45Å; R611-I616 HydrophobicContact CB-CD1 4.28Å; R611-I616 HydrophobicContact CB-CG1 3.86Å; R611-I616 HydrophobicContact CG-CG1 4.05Å; N614-I616 HydrophobicContact CB-CD1 4.27Å; I616-V618 HydrophobicContact CG2-CG2 4.21Å
617	L	98.8	Very high	98	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	118.6	174.2	-52	-179.2	0	0	0	109	L543 L544 A547 T569 Y570 I571 M572 L606 R608	L543-L617 HydrophobicContact CB-CD1 4.04Å; L544-L617 HydrophobicContact CD2-CD1 3.86Å; A547-L617 HydrophobicContact CB-CD1 4.01Å; T569-L617 HydrophobicContact CG2-CD1 3.92Å; T569-L617 HydrophobicContact CG2-CG 4.07Å; Y570-L617 PolarHBondContact O-N 2.89Å; I571-L617 CarbonylContact C-O 3.49Å; I571-L617 WeakPolarHBondContact CA-O 3.46Å; I571-L617 HydrophobicContact CB-CB 4.38Å; I571-L617 HydrophobicContact CG1-CB 4.27Å; M572-L617 PolarHBondContact N-O 2.84Å; L606-L617 HydrophobicContact CD1-CB 3.93Å; L606-L617 HydrophobicContact CD1-CD2 4.41Å; R608-L617 HydrophobicContact CG-CD2 3.9Å
618	V	98.8	Very high	97.8	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	119.7	178.5	-169.8	0	0	0	0	109.1	M572 I574 W585 L588 L606 W607 I616	M572-V618 HydrophobicContact CE-CB 4.17Å; M572-V618 HydrophobicContact CE-CG1 3.86Å; M572-V618 HydrophobicContact CE-CG2 3.31Å; M572-V618 HydrophobicContact CG-CB 4.45Å; M572-V618 HydrophobicContact CG-CG1 4.22Å; M572-V618 HydrophobicContact CG-CG2 4.18Å; I574-V618 HydrophobicContact CD1-CG1 3.91Å; I574-V618 HydrophobicContact CG1-CG1 4.04Å; I574-V618 HydrophobicContact CG2-CG1 3.78Å; W585-V618 HydrophobicContact CE3-CG1 4.41Å; W585-V618 HydrophobicContact CZ3-CB 4.43Å; W585-V618 HydrophobicContact CZ3-CG1 4.35Å; W585-V618 HydrophobicContact CZ3-CG2 4.41Å; L588-V618 HydrophobicContact CD2-CG1 4.14Å; L606-V618 CarbonylContact C-O 3.56Å; L606-V618 VanDerWaalsContact CA-O 3.29Å; L606-V618 WeakPolarHBondContact CA-O 3.48Å; W607-V618 HydrophobicContact CB-CB 4.14Å; W607-V618 HydrophobicContact CB-CG2 4.47Å; W607-V618 HydrophobicContact CE3-CB 4.45Å; W607-V618 HydrophobicContact CE3-CG1 4.49Å; W607-V618 PolarHBondContact N-O 2.95Å; W607-V618 PolarHBondContact O-N 2.76Å; I616-V618 HydrophobicContact CG2-CG2 4.21Å
619	I	98.7	Very high	97.6	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	124.7	-175.9	-62	175.3	0	0	0	110.8	L544 I571 M572 F573 I574 G605 L606 V621	L544-I619 HydrophobicContact CD2-CD1 3.57Å; I571-I619 HydrophobicContact CD1-CD1 3.55Å; I571-I619 HydrophobicContact CG1-CD1 3.98Å; M572-I619 PolarHBondContact O-N 3.37Å; F573-I619 CarbonylContact C-O 3.51Å; F573-I619 WeakPolarHBondContact CA-O 3.4Å; F573-I619 HydrophobicContact CD1-CB 3.75Å; F573-I619 HydrophobicContact CD1-CD1 4.29Å; F573-I619 HydrophobicContact CD1-CG2 3.92Å; F573-I619 HydrophobicContact CE1-CB 4.01Å; F573-I619 HydrophobicContact CE1-CD1 3.69Å; F573-I619 HydrophobicContact CE1-CG1 4.43Å; F573-I619 HydrophobicContact CE1-CG2 4.09Å; F573-I619 HydrophobicContact CZ-CD1 4.26Å; I574-I619 PolarHBondContact N-O 2.85Å; G605-I619 WeakPolarHBondContact O-CA 3.34Å; L606-I619 HydrophobicContact CD1-CG1 3.94Å; I619-V621 HydrophobicContact CG2-CG2 4.26Å
620	A	98.1	Very high	97.6	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	121.1	172.8	0	0	0	0	0	112	I574 M576 G605 W607 I623 S624 S627	I574-A620 HydrophobicContact CG1-CB 4.42Å; M576-A620 HydrophobicContact CB-CB 3.58Å; M576-A620 HydrophobicContact CG-CB 4.22Å; M576-A620 HydrophobicContact SD-CB 3.71Å; G605-A620 WeakPolarHBondContact O-CB 3.23Å; G605-A620 PolarHBondContact O-N 3.33Å; W607-A620 HydrophobicContact CH2-CB 4.23Å; W607-A620 HydrophobicContact CZ3-CB 3.77Å; A620-I623 HydrophobicContact CB-CD1 4.01Å; A620-I623 HydrophobicContact CB-CG1 3.77Å; A620-S624 WeakPolarHBondContact O-CB 3.49Å; A620-S624 PolarHBondContact O-N 3.31Å; A620-S627 PolarHBondContact O-OG 3.21Å
621	V	97.9	Very high	97.5	Very high	16 Å²	16	37.9 Å²	37.9	10%	0.097	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	131	-177	179.7	0	0	0	0	110.5	F573 I574 M576 I619 K630 P636	F573-V621 HydrophobicContact CB-CG2 4.04Å; F573-V621 HydrophobicContact CD1-CG2 3.67Å; F573-V621 HydrophobicContact CG-CG2 4.31Å; I574-V621 PolarHBondContact O-N 3.19Å; M576-V621 CarbonylContact C-O 3.45Å; M576-V621 PolarHBondContact N-O 3.45Å; M576-V621 CarbonylContact O-C 3.34Å; M576-V621 VanDerWaalsContact O-O 3.09Å; I619-V621 HydrophobicContact CG2-CG2 4.26Å; V621-K630 HydrophobicContact CG1-CD 4.11Å; V621-K630 HydrophobicContact CG2-CD 4.21Å; V621-P636 HydrophobicContact CB-CB 4.49Å; V621-P636 HydrophobicContact CB-CG 4.09Å; V621-P636 HydrophobicContact CG1-CG 4.08Å
622	P	96.8	Very high	97.3	Very high	85 Å²	85	42.2 Å²	42.2	55%	0.552	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	cis	-96.3	0.5	7.6	37.4	-32.9	0	0	0	115	M576 S624 S627	M576-P622 VanDerWaalsContact O-CD 3.25Å; M576-P622 WeakPolarHBondContact O-CD 3.31Å; P622-S624 VanDerWaalsContact C-N 3.28Å; P622-S624 PolarHBondContact O-N 2.92Å; P622-S627 WeakPolarHBondContact CA-OG 3.46Å; P622-S627 PolarHBondContact O-OG 3.36Å
623	I	96.8	Very high	97.3	Very high	61 Å²	61	43.8 Å²	43.8	31%	0.313	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-29.6	-169.4	62.2	167	0	0	0	113.9	M576 E577 A620	M576-I623 HydrophobicContact CB-CD1 4.12Å; M576-I623 HydrophobicContact CB-CG1 4.22Å; M576-I623 HydrophobicContact CE-CD1 3.94Å; M576-I623 HydrophobicContact CG-CD1 3.98Å; M576-I623 WeakPolarHBondContact O-CG2 3.48Å; M576-I623 HydrophobicContact SD-CD1 3.45Å; M576-I623 WeakPolarHBondContact SD-CD1 3.38Å; M576-I623 HydrophobicContact SD-CG1 4.43Å; E577-I623 WeakPolarHBondContact O-CG2 3.2Å; A620-I623 HydrophobicContact CB-CD1 4.01Å; A620-I623 HydrophobicContact CB-CG1 3.77Å
624	S	97.9	Very high	97.3	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.021	25%	0.247	C	C	.	.	S	Bend	trans	-73.2	135.6	-180	-177.2	0	0	0	0	110.1	R604 A620 P622 Y626 S627	R604-S624 WeakPolarHBondContact O-CA 2.97Å; R604-S624 VanDerWaalsContact O-CB 3.29Å; R604-S624 WeakPolarHBondContact O-CB 3.48Å; R604-S624 PolarHBondContact O-OG 3.33Å; A620-S624 WeakPolarHBondContact O-CB 3.49Å; A620-S624 PolarHBondContact O-N 3.31Å; P622-S624 VanDerWaalsContact C-N 3.28Å; P622-S624 PolarHBondContact O-N 2.92Å; S624-Y626 PolarHBondContact O-N 2.99Å; S624-Y626 WeakPolarHBondContact OG-CB 3.25Å; S624-Y626 WeakPolarHBondContact OG-CD2 3.41Å; S624-Y626 PolarHBondContact OG-N 2.79Å; S624-S627 WeakPolarHBondContact O-CB 3.47Å; S624-S627 PolarHBondContact O-N 2.95Å; S624-S627 PolarHBondContact O-OG 2.95Å
625	P	97.6	Very high	97.2	Very high	69 Å²	69	44.3 Å²	44.3	45%	0.448	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-59.7	-19.3	169.6	27.5	-35.5	0	0	0	112	R604 S627	R604-P625 HydrophobicContact CB-CG 4.06Å; R604-P625 WeakPolarHBondContact O-CD 2.91Å; P625-S627 VanDerWaalsContact C-N 3.25Å; P625-S627 PolarHBondContact O-N 3.11Å
626	Y	98.3	Very high	97.2	Very high	1 Å²	1	45 Å²	45	0%	0.004	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-78.9	-5.8	177.1	-45.6	-53.8	0	0	0	113.5	E537 I540 L544 H603 R604 L606 S624 V628 K629	E537-Y626 PolarHBondContact OE1-OH 2.87Å; E537-Y626 PolarHBondContact OE2-OH 2.84Å; I540-Y626 HydrophobicContact CG2-CD1 4.18Å; I540-Y626 HydrophobicContact CG2-CE1 3.71Å; I540-Y626 HydrophobicContact CG2-CE2 4.13Å; L544-Y626 HydrophobicContact CD1-CD1 3.72Å; L544-Y626 HydrophobicContact CD1-CE1 4.5Å; L544-Y626 HydrophobicContact CD1-CG 3.91Å; H603-Y626 PolarHBondContact CD2-OH 3.09Å; H603-Y626 PolarHBondContact NE2-OH 2.66Å; R604-Y626 HydrophobicContact CB-CE2 4.06Å; L606-Y626 HydrophobicContact CB-CD2 3.78Å; L606-Y626 HydrophobicContact CB-CE2 3.76Å; L606-Y626 HydrophobicContact CD2-CD2 4.4Å; L606-Y626 HydrophobicContact CD2-CE2 4.13Å; S624-Y626 PolarHBondContact O-N 2.99Å; S624-Y626 WeakPolarHBondContact OG-CB 3.25Å; S624-Y626 WeakPolarHBondContact OG-CD2 3.41Å; S624-Y626 PolarHBondContact OG-N 2.79Å; Y626-V628 PolarHBondContact O-N 3.21Å; Y626-K629 WeakPolarHBondContact O-CB 3.44Å; Y626-K629 PolarHBondContact O-N 3.01Å
627	S	97.4	Very high	97.1	Very high	20 Å²	20	45.6 Å²	45.6	14%	0.14	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-54.3	-25.1	174.9	-61	0	0	0	0	113.3	A620 P622 S624 P625 K629 K630	A620-S627 PolarHBondContact O-OG 3.21Å; P622-S627 WeakPolarHBondContact CA-OG 3.46Å; P622-S627 PolarHBondContact O-OG 3.36Å; S624-S627 WeakPolarHBondContact O-CB 3.47Å; S624-S627 PolarHBondContact O-N 2.95Å; S624-S627 PolarHBondContact O-OG 2.95Å; P625-S627 VanDerWaalsContact C-N 3.25Å; P625-S627 PolarHBondContact O-N 3.11Å; S627-K629 PolarHBondContact O-N 3.02Å; S627-K629 VanDerWaalsContact O-N 3.1Å; S627-K630 VanDerWaalsContact O-CB 3.23Å; S627-K630 WeakPolarHBondContact O-CB 3.48Å; S627-K630 PolarHBondContact O-N 3.31Å
628	V	95.4	Very high	97.1	Very high	120 Å²	120	49.4 Å²	49.4	73%	0.727	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-59.5	-19.1	175.6	-59.4	0	0	0	0	113.7	Y626	Y626-V628 PolarHBondContact O-N 3.21Å
629	K	94.6	Very high	96.9	Very high	85 Å²	85	51 Å²	51	37%	0.37	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-84.7	-9.7	176.2	-62.5	-60.7	-174.5	-178.8	0	113.4	L544 F573 Y626 S627 P631	L544-K629 HydrophobicContact CB-CG 4.38Å; L544-K629 HydrophobicContact CD1-CG 4.25Å; F573-K629 HydrophobicContact CZ-CB 4.27Å; Y626-K629 WeakPolarHBondContact O-CB 3.44Å; Y626-K629 PolarHBondContact O-N 3.01Å; S627-K629 PolarHBondContact O-N 3.02Å; S627-K629 VanDerWaalsContact O-N 3.1Å; K629-P631 WeakPolarHBondContact O-CD 3.48Å
630	K	97.3	Very high	96.3	Very high	47 Å²	47	58.1 Å²	58.1	20%	0.204	35%	0.348	C	S	.	.	S	Bend	trans	-69.2	125.5	177.3	-167.6	-170	67.2	68.8	0	110	F573 V621 S627 L634 P636	F573-K630 HydrophobicContact CB-CD 4.41Å; F573-K630 HydrophobicContact CB-CG 4.35Å; F573-K630 HydrophobicContact CD1-CB 3.79Å; F573-K630 HydrophobicContact CD1-CG 3.98Å; F573-K630 HydrophobicContact CD2-CB 4.45Å; F573-K630 HydrophobicContact CD2-CG 4.04Å; F573-K630 HydrophobicContact CE1-CB 3.67Å; F573-K630 HydrophobicContact CE1-CG 4.26Å; F573-K630 HydrophobicContact CE2-CB 4.35Å; F573-K630 HydrophobicContact CE2-CG 4.32Å; F573-K630 HydrophobicContact CG-CB 4.18Å; F573-K630 HydrophobicContact CG-CD 4.4Å; F573-K630 HydrophobicContact CG-CG 3.85Å; F573-K630 VanDerWaalsContact CZ-CA 3.47Å; F573-K630 HydrophobicContact CZ-CB 3.98Å; F573-K630 HydrophobicContact CZ-CG 4.43Å; V621-K630 HydrophobicContact CG1-CD 4.11Å; V621-K630 HydrophobicContact CG2-CD 4.21Å; S627-K630 VanDerWaalsContact O-CB 3.23Å; S627-K630 WeakPolarHBondContact O-CB 3.48Å; S627-K630 PolarHBondContact O-N 3.31Å; K630-L634 HydrophobicContact CG-CB 4.23Å; K630-L634 HydrophobicContact CG-CD2 4.02Å; K630-L634 PolarHBondContact NZ-O 2.77Å; K630-P636 HydrophobicContact CD-CG 3.86Å
631	P	96.7	Very high	95.5	Very high	57 Å²	57	61.6 Å²	61.6	37%	0.37	37%	0.37	S	S	.	.			trans	-56.3	143.9	170.4	-22.8	32.6	0	0	0	111.6	L549 K629 A633 L634	L549-P631 HydrophobicContact CD2-CG 3.88Å; K629-P631 WeakPolarHBondContact O-CD 3.48Å; P631-A633 VanDerWaalsContact C-N 3.31Å; P631-A633 PolarHBondContact O-N 2.77Å; P631-L634 HydrophobicContact CB-CB 4.11Å; P631-L634 HydrophobicContact CG-CB 4.38Å; P631-L634 WeakPolarHBondContact O-CB 3.32Å; P631-L634 PolarHBondContact O-N 3.48Å; P631-L634 VanDerWaalsContact O-N 3.13Å
632	A	94.2	Very high	94.6	Very high	105 Å²	105	64.9 Å²	64.9	87%	0.868	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-41.7	-174.9	0	0	0	0	0	112.6	L634	A632-L634 VanDerWaalsContact C-N 3.33Å; A632-L634 PolarHBondContact O-N 3.13Å
633	A	94.9	Very high	93.4	Very high	100 Å²	100	66.6 Å²	66.6	83%	0.826	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-10.4	-179.1	0	0	0	0	0	114.4	P631	P631-A633 VanDerWaalsContact C-N 3.31Å; P631-A633 PolarHBondContact O-N 2.77Å
634	L	96.9	Very high	91.5	Very high	30 Å²	30	73.3 Å²	73.3	16%	0.157	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-78.2	126.5	-177.9	-170.8	74.3	0	0	0	110.5	L549 H552 F573 K630 P631 A632	L549-L634 HydrophobicContact CD1-CD2 3.78Å; L549-L634 HydrophobicContact CD2-CD1 4.29Å; L549-L634 HydrophobicContact CD2-CD2 4.1Å; H552-L634 HydrophobicContact CB-CD1 3.94Å; F573-L634 HydrophobicContact CD2-CD2 3.48Å; F573-L634 VanDerWaalsContact CD2-CD2 3.48Å; F573-L634 HydrophobicContact CE2-CD2 4.07Å; F573-L634 HydrophobicContact CG-CD2 4.31Å; K630-L634 HydrophobicContact CG-CB 4.23Å; K630-L634 HydrophobicContact CG-CD2 4.02Å; K630-L634 PolarHBondContact NZ-O 2.77Å; P631-L634 HydrophobicContact CB-CB 4.11Å; P631-L634 HydrophobicContact CG-CB 4.38Å; P631-L634 WeakPolarHBondContact O-CB 3.32Å; P631-L634 PolarHBondContact O-N 3.48Å; P631-L634 VanDerWaalsContact O-N 3.13Å; A632-L634 VanDerWaalsContact C-N 3.33Å; A632-L634 PolarHBondContact O-N 3.13Å
635	V	97.2	Very high	89.2	Confident	114 Å²	114	82.1 Å²	82.1	69%	0.691	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-86.1	123.8	171.3	-177.4	0	0	0	0	108.3
636	P	97.8	Very high	86.7	Confident	30 Å²	30	88.2 Å²	88.2	20%	0.195	49%	0.493	C	S	.	.	P	Polyproline II helix	trans	-59.2	141.4	173.7	-20.7	31.7	0	0	0	111.1	F573 K575 V621 K630 H638	F573-P636 WeakPolarHBondContact O-CA 2.83Å; K575-P636 HydrophobicContact CB-CB 4.22Å; V621-P636 HydrophobicContact CB-CB 4.49Å; V621-P636 HydrophobicContact CB-CG 4.09Å; V621-P636 HydrophobicContact CG1-CG 4.08Å; K630-P636 HydrophobicContact CD-CG 3.86Å; P636-H638 PolarHBondContact O-N 3.2Å
637	I	98.1	Very high	84	Confident	13 Å²	13	91.3 Å²	91.3	7%	0.067	53%	0.526	C	S	.	.	B	Isolated β-bridge	trans	-58.1	135.8	174.1	-71.9	163	0	0	0	108.8	H552 P556 F561 M572 F573 I574 K575 T584 L639	H552-I637 HydrophobicContact CB-CG1 4.16Å; P556-I637 HydrophobicContact CB-CD1 4.18Å; P556-I637 HydrophobicContact CG-CD1 4.3Å; P556-I637 HydrophobicContact CG-CG2 3.89Å; F561-I637 HydrophobicContact CE2-CD1 4.25Å; F561-I637 HydrophobicContact CZ-CD1 3.78Å; M572-I637 HydrophobicContact CB-CD1 4.4Å; M572-I637 HydrophobicContact SD-CD1 4.14Å; F573-I637 PolarHBondContact O-N 3.31Å; I574-I637 CarbonylContact C-O 3.53Å; I574-I637 WeakPolarHBondContact CA-O 3.06Å; I574-I637 HydrophobicContact CG2-CB 4.27Å; I574-I637 HydrophobicContact CG2-CG2 4.42Å; K575-I637 WeakPolarHBondContact CB-O 3.28Å; K575-I637 PolarHBondContact N-O 3.04Å; T584-I637 HydrophobicContact CG2-CG2 4.44Å; T584-I637 WeakPolarHBondContact CG2-O 3.39Å; I637-L639 HydrophobicContact CG2-CD2 4.42Å; I637-L639 HydrophobicContact CG2-CG 4.17Å
638	H	96.9	Very high	81.3	Confident	81 Å²	81	94.3 Å²	94.3	38%	0.375	55%	0.552	S	S	.	*			trans	-130.4	127.7	173.3	-176.9	49.3	0	0	0	108.8	K575 T584 P636 E640	K575-H638 HydrophobicContact CB-CB 4.18Å; K575-H638 HydrophobicContact CD-CB 4.27Å; T584-H638 PolarHBondContact OG1-ND1 2.91Å; P636-H638 PolarHBondContact O-N 3.2Å; H638-E640 IonicContact NE2-OE1 3.6Å
639	L	94.7	Very high	78.7	Confident	33 Å²	33	94.5 Å²	94.5	17%	0.173	56%	0.555	C	S	.	*			trans	-120.8	129.5	176.4	-59.5	178	0	0	0	107.8	P556 T584 E587 L588 I637	P556-L639 HydrophobicContact CG-CD1 4.3Å; P556-L639 HydrophobicContact CG-CD2 4.32Å; T584-L639 HydrophobicContact CG2-CB 4.26Å; T584-L639 HydrophobicContact CG2-CG 4.31Å; T584-L639 PolarHBondContact OG1-N 3.08Å; T584-L639 PolarHBondContact OG1-O 2.88Å; E587-L639 HydrophobicContact CB-CB 3.87Å; E587-L639 HydrophobicContact CB-CD1 4.31Å; L588-L639 HydrophobicContact CB-CD1 3.95Å; I637-L639 HydrophobicContact CG2-CD2 4.42Å; I637-L639 HydrophobicContact CG2-CG 4.17Å
640	E	86.3	Confident	76	Confident	150 Å²	150	97 Å²	97	70%	0.701	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-103.6	144.4	173.4	-69.2	-173.2	169.2	0	0	109.6	H638	H638-E640 IonicContact NE2-OE1 3.6Å
641	P	82.6	Confident	73.2	Confident	73 Å²	73	102.7 Å²	102.7	47%	0.474	61%	0.605	S	S	.	*	P	Polyproline II helix	trans	-59.4	142.6	170.1	25.5	-32.5	0	0	0	109.2	E587	E587-P641 HydrophobicContact CG-CB 4.42Å; E587-P641 WeakPolarHBondContact OE1-CB 3.42Å
642	P	78.6	Confident	70.4	Confident	86 Å²	86	109.1 Å²	109.1	56%	0.558	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-55.3	142.6	174	22.2	-31	0	0	0	109.6	K644	P642-K644 PolarHBondContact O-N 2.94Å
643	P	71.1	Confident	67.5	Low	120 Å²	120	115.1 Å²	115.1	78%	0.779	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-54.3	130	177.4	20.8	-30	0	0	0	108.6	E645	P643-E645 PolarHBondContact O-N 3.03Å
644	K	56.3	Low	66.1	Low	202 Å²	202	115.9 Å²	115.9	88%	0.878	64%	0.637	S	S	*	*			trans	-56.7	115.3	173.1	-73.4	-176.4	178.2	-179.8	0	106.9	P642 E646	P642-K644 PolarHBondContact O-N 2.94Å; K644-E646 PolarHBondContact O-N 3.1Å; K644-E646 VanDerWaalsContact O-N 3.08Å
645	E	50.5	Low	64.5	Low	189 Å²	189	120.4 Å²	120.4	88%	0.883	66%	0.662	S	S	*	*			trans	-54.8	119.6	163.1	-72.1	-174.6	162.7	0	0	106.2	P643 G647	P643-E645 PolarHBondContact O-N 3.03Å; E645-G647 PolarHBondContact O-N 3.07Å
646	E	45.1	Very low	62.6	Low	196 Å²	196	120.8 Å²	120.8	92%	0.916	66%	0.661	S	S	*	*			trans	-59.4	96.7	166.2	-74.6	-176	162	0	0	106	K644 A648	K644-E646 PolarHBondContact O-N 3.1Å; K644-E646 VanDerWaalsContact O-N 3.08Å; E646-A648 PolarHBondContact O-N 3.14Å
647	G	41.2	Very low	60.6	Low	67 Å²	67	126.1 Å²	126.1	69%	0.691	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-52.1	128.8	176.2	0	0	0	0	0	108.5	E645	E645-G647 PolarHBondContact O-N 3.07Å
648	A	41.6	Very low	58.2	Low	83 Å²	83	133.2 Å²	133.2	69%	0.686	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-46.3	142.5	169.8	0	0	0	0	0	109.3	E646 V650	E646-A648 PolarHBondContact O-N 3.14Å; A648-V650 PolarHBondContact O-N 3.31Å
649	P	39.4	Very low	55.6	Low	123 Å²	123	136.7 Å²	136.7	80%	0.799	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-52.7	121	-179.9	-17.3	27.1	0	0	0	108.3	E651	P649-E651 VanDerWaalsContact C-N 3.29Å; P649-E651 PolarHBondContact O-N 3.07Å
650	V	39.4	Very low	52.9	Low	137 Å²	137	144.1 Å²	144.1	83%	0.83	79%	0.792	S	S	*	*			trans	-62.8	99.7	168.4	179.8	0	0	0	0	105.4	A648 Q652	A648-V650 PolarHBondContact O-N 3.31Å; V650-Q652 PolarHBondContact O-N 3.48Å; V650-Q652 VanDerWaalsContact O-N 3.11Å
651	E	38.5	Very low	50.3	Low	168 Å²	168	143.6 Å²	143.6	79%	0.785	80%	0.799	S	S	*	*			trans	-57.1	116.4	163.3	-87.6	-174.9	155	0	0	106.6	P649 L653	P649-E651 VanDerWaalsContact C-N 3.29Å; P649-E651 PolarHBondContact O-N 3.07Å; E651-L653 PolarHBondContact O-N 3.08Å; E651-L653 VanDerWaalsContact O-N 3.1Å
652	Q	36.6	Very low	47.6	Very low	192 Å²	192	149.5 Å²	149.5	90%	0.897	83%	0.826	S	S	*	*			trans	-60.8	111.6	169.6	-71.8	178.9	-14.7	0	0	107.8	V650	V650-Q652 PolarHBondContact O-N 3.48Å; V650-Q652 VanDerWaalsContact O-N 3.11Å
653	L	32.8	Very low	44.8	Very low	231 Å²	231	155.3 Å²	155.3	100%	1.209	85%	0.85	S	S	*	*			trans	-118.6	0	163.6	-93.6	165.1	0	0	0	109.5	E651	E651-L653 PolarHBondContact O-N 3.08Å; E651-L653 VanDerWaalsContact O-N 3.1Å

Retrieved 653 of 653 residues in 397.4 ms (Link to these results)

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