A0A093I1E4_STRCA Loading...

Transferrin receptor protein 1

Cellular uptake of iron occurs via receptor-mediated endocytosis of ligand-occupied transferrin receptor into specialized endosomes. Endosomal acidification leads to iron release. The apotransferrin-receptor complex is then recycled to the cell surface with a return to neutral pH and the concomitant loss of affinity of apotransferrin for its receptor. Transferrin receptor is necessary for development of erythrocytes and the nervous system. Acts as a lipid sensor that regulates mitochondrial fusion by regulating activation of the JNK pathway.

AlphaFold DB , UniProt , Accession A0A093I1E4, Species STRCA (Struthio camelus australis), Gene n/a, Length 780 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.8	Very low	44.2	Very low	46 Å²	46	57.4 Å²	57.4	23%	0.227	31%	0.314	C	S	.	.				0	-74.7	0	-67.9	-167.9	-145.5	0	0	115.4	H3 A4 R5 P323 S324 F325	M1-H3 PolarHBondContact O-N 2.6Å; M1-A4 CarbonylContact O-C 3.52Å; M1-A4 WeakPolarHBondContact O-CA 3.38Å; M1-A4 WeakPolarHBondContact O-CB 3.41Å; M1-A4 PolarHBondContact O-N 3.38Å; M1-R5 PolarHBondContact O-N 2.92Å; M1-P323 HydrophobicContact CE-CB 3.75Å; M1-P323 HydrophobicContact CE-CG 4.08Å; M1-P323 HydrophobicContact SD-CB 4.32Å; M1-P323 HydrophobicContact SD-CG 4.2Å; M1-S324 WeakPolarHBondContact CE-O 3.17Å; M1-F325 HydrophobicContact CE-CD1 3.67Å; M1-F325 HydrophobicContact CE-CE1 3.58Å; M1-F325 HydrophobicContact CE-CG 4.35Å; M1-F325 HydrophobicContact CE-CZ 4.18Å; M1-F325 HydrophobicContact SD-CD1 4.23Å; M1-F325 HydrophobicContact SD-CE1 3.62Å; M1-F325 HydrophobicContact SD-CZ 4.24Å
2	D	33.6	Very low	45	Very low	125 Å²	125	54.7 Å²	54.7	67%	0.668	30%	0.297	S	S	*	.	H	α-helix	trans	-60.6	-38.8	-160.6	-65.1	-18.6	0	0	0	115.6	A4 R5 A6	D2-A4 VanDerWaalsContact C-N 3.31Å; D2-A4 PolarHBondContact O-N 2.59Å; D2-R5 PolarHBondContact O-N 3.1Å; D2-A6 VanDerWaalsContact O-CB 3.25Å; D2-A6 WeakPolarHBondContact O-CB 3.44Å; D2-A6 PolarHBondContact O-N 2.63Å
3	H	35.7	Very low	44.6	Very low	180 Å²	180	56.2 Å²	56.2	83%	0.833	33%	0.333	S	S	*	.	H	α-helix	trans	-62.9	-33.4	170.5	-75.8	146.4	0	0	0	113.3	M1 A7	M1-H3 PolarHBondContact O-N 2.6Å; H3-A7 WeakPolarHBondContact O-CB 2.79Å; H3-A7 PolarHBondContact O-N 2.98Å
4	A	39	Very low	44.3	Very low	5 Å²	5	54.6 Å²	54.6	4%	0.041	34%	0.335	C	S	.	.	H	α-helix	trans	-74.5	-39.3	175.9	0	0	0	0	0	111.9	M1 D2 A7 I8 D193	M1-A4 CarbonylContact O-C 3.52Å; M1-A4 WeakPolarHBondContact O-CA 3.38Å; M1-A4 WeakPolarHBondContact O-CB 3.41Å; M1-A4 PolarHBondContact O-N 3.38Å; D2-A4 VanDerWaalsContact C-N 3.31Å; D2-A4 PolarHBondContact O-N 2.59Å; A4-A7 PolarHBondContact O-N 3.03Å; A4-I8 WeakPolarHBondContact O-CB 3.4Å; A4-I8 WeakPolarHBondContact O-CG1 3.44Å; A4-I8 PolarHBondContact O-N 3.28Å; A4-D193 HydrophobicContact CB-CB 4.38Å
5	R	48.4	Very low	43.5	Very low	82 Å²	82	61.9 Å²	61.9	31%	0.309	36%	0.364	S	S	.	.	H	α-helix	trans	-63.4	-47.9	172.3	-78.8	179.8	167.9	144.9	-0.1	111.7	M1 D2 A7 I8 S9 G482 Y483	M1-R5 PolarHBondContact O-N 2.92Å; D2-R5 PolarHBondContact O-N 3.1Å; R5-A7 VanDerWaalsContact C-N 3.32Å; R5-A7 PolarHBondContact O-N 3.45Å; R5-I8 PolarHBondContact O-N 3.18Å; R5-S9 WeakPolarHBondContact O-CB 3.47Å; R5-S9 PolarHBondContact O-N 2.82Å; R5-G482 PolarHBondContact NH2-O 3.02Å; R5-Y483 WeakPolarHBondContact CA-OH 3.24Å; R5-Y483 HydrophobicContact CG-CE1 4.08Å; R5-Y483 VanDerWaalsContact CG-OH 3.29Å; R5-Y483 WeakPolarHBondContact CG-OH 3.18Å
6	A	46.3	Very low	42.9	Very low	42 Å²	42	64.4 Å²	64.4	35%	0.347	38%	0.382	S	S	.	.	H	α-helix	trans	-61.1	-40.7	172.6	0	0	0	0	0	111.3	D2 I8 S9 S10	D2-A6 VanDerWaalsContact O-CB 3.25Å; D2-A6 WeakPolarHBondContact O-CB 3.44Å; D2-A6 PolarHBondContact O-N 2.63Å; A6-I8 PolarHBondContact O-N 2.64Å; A6-S9 PolarHBondContact O-N 3.45Å; A6-S10 WeakPolarHBondContact O-CB 3.49Å; A6-S10 PolarHBondContact O-N 3.07Å; A6-S10 PolarHBondContact O-OG 2.81Å
7	A	47.9	Very low	42.3	Very low	14 Å²	14	69.2 Å²	69.2	12%	0.116	40%	0.402	C	S	.	.	H	α-helix	trans	-62.6	-40.3	176.9	0	0	0	0	0	113.1	H3 A4 R5 L11 K189	H3-A7 WeakPolarHBondContact O-CB 2.79Å; H3-A7 PolarHBondContact O-N 2.98Å; A4-A7 PolarHBondContact O-N 3.03Å; R5-A7 VanDerWaalsContact C-N 3.32Å; R5-A7 PolarHBondContact O-N 3.45Å; A7-L11 VanDerWaalsContact O-CB 3.28Å; A7-L11 WeakPolarHBondContact O-CB 3.26Å; A7-L11 PolarHBondContact O-N 3.17Å; A7-K189 HydrophobicContact CB-CD 4.42Å; A7-K189 PolarHBondContact O-NZ 3.06Å
8	I	49.7	Very low	41.6	Very low	6 Å²	6	71.5 Å²	71.5	3%	0.031	42%	0.423	C	S	.	.	H	α-helix	trans	-73.5	-42.7	177.3	-77.7	167.6	0	0	0	110.8	A4 R5 A6 L11 F12 W191 Y483	A4-I8 WeakPolarHBondContact O-CB 3.4Å; A4-I8 WeakPolarHBondContact O-CG1 3.44Å; A4-I8 PolarHBondContact O-N 3.28Å; R5-I8 PolarHBondContact O-N 3.18Å; A6-I8 PolarHBondContact O-N 2.64Å; I8-L11 PolarHBondContact O-N 3.31Å; I8-F12 HydrophobicContact CG2-CD2 3.97Å; I8-F12 HydrophobicContact CG2-CE2 3.95Å; I8-F12 WeakPolarHBondContact O-CD2 3.45Å; I8-F12 PolarHBondContact O-N 2.89Å; I8-W191 HydrophobicContact CD1-CZ2 4.01Å; I8-W191 HydrophobicContact CG1-CZ2 3.91Å; I8-Y483 HydrophobicContact CD1-CE2 4.13Å; I8-Y483 WeakPolarHBondContact CD1-OH 3.32Å; I8-Y483 HydrophobicContact CG2-CE1 4.48Å
9	S	46.8	Very low	40.9	Very low	30 Å²	30	78.8 Å²	78.8	21%	0.21	44%	0.444	C	S	.	.	H	α-helix	trans	-63.4	-46.1	176.6	-156.3	0	0	0	0	111.9	R5 A6 L11 F12 G13 G14	R5-S9 WeakPolarHBondContact O-CB 3.47Å; R5-S9 PolarHBondContact O-N 2.82Å; A6-S9 PolarHBondContact O-N 3.45Å; S9-L11 VanDerWaalsContact C-N 3.29Å; S9-L11 PolarHBondContact O-N 2.79Å; S9-F12 CarbonylContact O-C 3.57Å; S9-F12 PolarHBondContact O-N 3Å; S9-G13 PolarHBondContact O-N 3.41Å; S9-G13 VanDerWaalsContact O-N 3.14Å; S9-G14 CarbonylContact C-O 3.44Å; S9-G14 PolarHBondContact O-N 2.94Å; S9-G14 PolarHBondContact OG-O 3.16Å
10	S	53	Low	40.2	Very low	84 Å²	84	81.2 Å²	81.2	59%	0.587	46%	0.461	S	S	*	.	H	α-helix	trans	-70.1	-22.1	-179.8	95.9	0	0	0	0	113.6	A6 K189	A6-S10 WeakPolarHBondContact O-CB 3.49Å; A6-S10 PolarHBondContact O-N 3.07Å; A6-S10 PolarHBondContact O-OG 2.81Å; S10-K189 PolarHBondContact OG-NZ 2.74Å; S10-K189 VanDerWaalsContact OG-NZ 3.16Å
11	L	50.2	Low	39.8	Very low	17 Å²	17	87.8 Å²	87.8	9%	0.089	48%	0.478	C	S	.	.	H	α-helix	trans	-74.3	-33.5	175.5	-177.4	60.7	0	0	0	111.3	A7 I8 S9 K189 A405 K407	A7-L11 VanDerWaalsContact O-CB 3.28Å; A7-L11 WeakPolarHBondContact O-CB 3.26Å; A7-L11 PolarHBondContact O-N 3.17Å; I8-L11 PolarHBondContact O-N 3.31Å; S9-L11 VanDerWaalsContact C-N 3.29Å; S9-L11 PolarHBondContact O-N 2.79Å; L11-K189 HydrophobicContact CD2-CD 4.45Å; L11-A405 HydrophobicContact CD2-CB 4.18Å; L11-K407 HydrophobicContact CD1-CD 4.18Å
12	F	54.1	Low	39.3	Very low	25 Å²	25	95.3 Å²	95.3	11%	0.11	51%	0.51	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	17.8	-171.7	-54.2	-41.7	0	0	0	114	I8 S9 G14 P412 D413 Y415 I462	I8-F12 HydrophobicContact CG2-CD2 3.97Å; I8-F12 HydrophobicContact CG2-CE2 3.95Å; I8-F12 WeakPolarHBondContact O-CD2 3.45Å; I8-F12 PolarHBondContact O-N 2.89Å; S9-F12 CarbonylContact O-C 3.57Å; S9-F12 PolarHBondContact O-N 3Å; F12-G14 VanDerWaalsContact C-N 3.33Å; F12-G14 PolarHBondContact O-N 3.32Å; F12-P412 WeakPolarHBondContact CD1-O 3.27Å; F12-P412 WeakPolarHBondContact CE1-O 3.26Å; F12-D413 HydrophobicContact CB-CB 3.85Å; F12-D413 HydrophobicContact CD1-CB 4.33Å; F12-D413 HydrophobicContact CG-CB 4.25Å; F12-Y415 HydrophobicContact CD2-CE1 4.12Å; F12-Y415 HydrophobicContact CE1-CD1 4.18Å; F12-Y415 HydrophobicContact CE1-CE1 4.45Å; F12-Y415 AromaticContact CE2-CD1 3.83Å; F12-Y415 HydrophobicContact CE2-CD1 3.83Å; F12-Y415 AromaticContact CE2-CE1 3.31Å; F12-Y415 HydrophobicContact CE2-CE1 3.31Å; F12-Y415 AromaticContact CZ-CD1 3.5Å; F12-Y415 HydrophobicContact CZ-CD1 3.5Å; F12-Y415 AromaticContact CZ-CE1 3.52Å; F12-Y415 HydrophobicContact CZ-CE1 3.52Å; F12-I462 HydrophobicContact CZ-CD1 4.32Å
13	G	40	Very low	39	Very low	74 Å²	74	95 Å²	95	76%	0.763	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.9	9.3	169.6	0	0	0	0	0	116.3	S9	S9-G13 PolarHBondContact O-N 3.41Å; S9-G13 VanDerWaalsContact O-N 3.14Å
14	G	39.7	Very low	38.7	Very low	35 Å²	35	93.8 Å²	93.8	36%	0.361	52%	0.516	S	S	.	.			trans	-86.2	128.2	174.4	0	0	0	0	0	111.6	S9 F12	S9-G14 CarbonylContact C-O 3.44Å; S9-G14 PolarHBondContact O-N 2.94Å; S9-G14 PolarHBondContact OG-O 3.16Å; F12-G14 VanDerWaalsContact C-N 3.33Å; F12-G14 PolarHBondContact O-N 3.32Å
15	E	32.4	Very low	38.2	Very low	163 Å²	163	97.7 Å²	97.7	76%	0.762	55%	0.548	S	S	*	.			trans	-55.5	144.9	168.5	-69	-164.9	144.9	0	0	110.9	M17	E15-M17 PolarHBondContact O-N 2.85Å
16	P	34.3	Very low	37.3	Very low	102 Å²	102	105.3 Å²	105.3	66%	0.662	58%	0.577	S	S	*	*			trans	-73.4	80.5	178.6	31.6	-35.1	0	0	0	110.4	S18	P16-S18 PolarHBondContact O-N 2.97Å
17	M	31.7	Very low	36.4	Very low	147 Å²	147	112 Å²	112	72%	0.724	60%	0.6	S	S	*	*			trans	-59.4	96.8	174.1	-72.5	-67.6	-76.3	0	0	110.1	E15 Y19	E15-M17 PolarHBondContact O-N 2.85Å; M17-Y19 PolarHBondContact O-N 2.96Å
18	S	29.8	Very low	35.7	Very low	110 Å²	110	117.8 Å²	117.8	77%	0.769	64%	0.635	S	S	*	*			trans	-74.4	70.2	178.7	47.2	0	0	0	0	110.8	P16 T20	P16-S18 PolarHBondContact O-N 2.97Å; S18-T20 PolarHBondContact O-N 3.46Å
19	Y	28.3	Very low	34.8	Very low	210 Å²	210	125.2 Å²	125.2	82%	0.824	68%	0.675	S	S	*	*			trans	-60	108.6	-178	-132.5	-82.5	0	0	0	110.3	M17	M17-Y19 PolarHBondContact O-N 2.96Å
20	T	27.6	Very low	33.9	Very low	127 Å²	127	127.5 Å²	127.5	78%	0.779	70%	0.702	S	S	*	*			trans	-69.5	149.8	-177.7	39	0	0	0	0	110.8	S18	S18-T20 PolarHBondContact O-N 3.46Å
21	R	30.7	Very low	32.7	Very low	220 Å²	220	130.5 Å²	130.5	83%	0.83	71%	0.712	S	S	*	*			trans	-48.9	143.6	-169.5	-65.7	172.8	173.4	171.9	-4.9	113.4	S23	R21-S23 PolarHBondContact O-N 3.1Å
22	F	25.8	Very low	31.8	Very low	203 Å²	203	136.4 Å²	136.4	89%	0.89	74%	0.744	S	S	*	*			trans	-46.2	113.3	161.9	-73.7	-90.9	0	0	0	111.1
23	S	28.3	Very low	30.8	Very low	119 Å²	119	140.5 Å²	140.5	83%	0.832	78%	0.775	S	S	*	*			trans	-100.5	44.6	173.7	51.7	0	0	0	0	111.6	R21 A25	R21-S23 PolarHBondContact O-N 3.1Å; S23-A25 PolarHBondContact O-N 3.35Å
24	I	29.5	Very low	30.3	Very low	155 Å²	155	146 Å²	146	80%	0.795	78%	0.781	S	S	*	*			trans	-92.7	79.1	170.9	-56.2	-178.4	0	0	0	108.7
25	A	28.4	Very low	29.7	Very low	86 Å²	86	150.9 Å²	150.9	71%	0.711	80%	0.803	S	S	*	*			trans	-130.8	58.9	170.4	0	0	0	0	0	109.4	S23 Q27	S23-A25 PolarHBondContact O-N 3.35Å; A25-Q27 VanDerWaalsContact C-N 3.33Å; A25-Q27 PolarHBondContact O-N 3.4Å
26	R	27.9	Very low	29.5	Very low	243 Å²	243	150.5 Å²	150.5	92%	0.917	80%	0.801	S	S	*	*			trans	-75.6	90.4	166.9	-119.2	-177.4	178.7	170.8	-0.2	107.9
27	Q	28.6	Very low	29.1	Very low	181 Å²	181	154 Å²	154	85%	0.846	81%	0.811	S	S	*	*			trans	-60.7	136	165.3	-70.5	-179.8	-92.4	0	0	108.9	A25 D29	A25-Q27 VanDerWaalsContact C-N 3.33Å; A25-Q27 PolarHBondContact O-N 3.4Å; Q27-D29 PolarHBondContact O-N 2.86Å
28	T	32.6	Very low	28.8	Very low	136 Å²	136	155.4 Å²	155.4	83%	0.834	81%	0.813	S	S	*	*			trans	-85.8	96.8	172.4	49.3	0	0	0	0	109.5
29	D	31.3	Very low	28.7	Very low	163 Å²	163	157.3 Å²	157.3	87%	0.872	81%	0.814	S	S	*	*			trans	-147.6	143	152.3	-89	-46.6	0	0	0	107.1	Q27	Q27-D29 PolarHBondContact O-N 2.86Å
30	G	28.5	Very low	28.7	Very low	77 Å²	77	153.1 Å²	153.1	79%	0.794	82%	0.815	S	S	*	*			trans	-98.1	144.7	-169.7	0	0	0	0	0	113.4
31	D	28.2	Very low	28.9	Very low	147 Å²	147	151.4 Å²	151.4	79%	0.786	81%	0.814	S	S	*	*				-156.8	169.5	110.7	-138.2	-23.2	0	0	0	113.1
32	N	29.6	Very low	29	Very low	142 Å²	142	148.7 Å²	148.7	76%	0.759	82%	0.816	S	S	*	*			trans	-37.2	127.7	-175.7	-67.9	-73.9	0	0	0	118
33	S	33	Very low	29.1	Very low	110 Å²	110	147 Å²	147	77%	0.769	82%	0.816	S	S	*	*			trans	-162.6	130.6	136.5	38.5	0	0	0	0	112.3
34	H	30.2	Very low	29.2	Very low	191 Å²	191	150.6 Å²	150.6	88%	0.884	82%	0.82	S	S	*	*			trans	-79.1	136.5	164.8	-79.9	-108.6	0	0	0	109.4
35	V	28	Very low	29.4	Very low	136 Å²	136	152.7 Å²	152.7	82%	0.824	83%	0.826	S	S	*	*			trans	-133.3	118.3	160.7	-178.8	0	0	0	0	107.5
36	E	28.3	Very low	29.4	Very low	155 Å²	155	152.6 Å²	152.6	72%	0.724	83%	0.833	S	S	*	*			trans	-74.1	144.8	178.2	-64.7	-174.2	136.2	0	0	111.5	K38	E36-K38 PolarHBondContact O-N 2.8Å
37	M	25.7	Very low	29.3	Very low	176 Å²	176	144.5 Å²	144.5	87%	0.867	83%	0.826	S	S	*	*			trans	-78.7	105.6	170	-172.3	179.9	-165	0	0	109
38	K	24.6	Very low	29.4	Very low	176 Å²	176	144.6 Å²	144.6	77%	0.765	83%	0.826	S	S	*	*			trans	-105.1	123.8	168.3	-77.2	-167	174.7	-176.3	0	111.2	E36	E36-K38 PolarHBondContact O-N 2.8Å
39	L	27.9	Very low	29.2	Very low	151 Å²	151	145.3 Å²	145.3	79%	0.791	82%	0.823	S	S	*	*			trans	-79.7	160.5	171.9	-70	163.8	0	0	0	110.3
40	S	28.2	Very low	29.1	Very low	121 Å²	121	140.8 Å²	140.8	85%	0.846	82%	0.815	S	S	*	*			trans	-64.2	135	178	50.2	0	0	0	0	113
41	A	31	Very low	29.1	Very low	92 Å²	92	147.4 Å²	147.4	76%	0.76	82%	0.816	S	S	*	*			trans	-146.3	156.8	159	0	0	0	0	0	108.7
42	D	32.4	Very low	29.1	Very low	163 Å²	163	146.8 Å²	146.8	87%	0.872	81%	0.808	S	S	*	*			trans	-72.5	153.4	-165.3	-45	-78.4	0	0	0	114.6
43	D	29.5	Very low	29.1	Very low	167 Å²	167	145.8 Å²	145.8	89%	0.893	80%	0.799	S	S	*	*			trans	-115.6	116.2	169.6	-90.2	-40.2	0	0	0	110.1
44	E	30.5	Very low	29	Very low	195 Å²	195	148.4 Å²	148.4	91%	0.911	80%	0.799	S	S	*	*			trans	-118.6	159.6	160.5	-88.2	-165.7	149.6	0	0	110.5
45	E	33.5	Very low	29	Very low	199 Å²	199	145.2 Å²	145.2	93%	0.93	79%	0.788	S	S	*	*			trans	-32.2	144.1	-169.7	-51.9	-174.8	120.2	0	0	120.3
46	G	27.8	Very low	29.2	Very low	83 Å²	83	148.3 Å²	148.3	86%	0.856	79%	0.793	S	S	*	*			trans	158.7	94.7	144.1	0	0	0	0	0	121.2
47	G	26.4	Very low	29.2	Very low	73 Å²	73	145.8 Å²	145.8	75%	0.753	79%	0.792	S	S	*	*			trans	73.6	119.4	131.2	0	0	0	0	0	123.6
48	E	29.9	Very low	29.5	Very low	184 Å²	184	143.7 Å²	143.7	86%	0.86	80%	0.795	S	S	*	*				60.7	148.4	129.9	-60.6	-158.2	144	0	0	121.5
49	I	29.6	Very low	29.9	Very low	151 Å²	151	143.6 Å²	143.6	77%	0.774	80%	0.799	S	S	*	*			cis	-158	154.6	-2.3	-114.9	163.8	0	0	0	108.5
50	G	27.4	Very low	30.1	Very low	68 Å²	68	139.9 Å²	139.9	70%	0.701	80%	0.798	S	S	*	*			trans	140	88.8	151.2	0	0	0	0	0	120.5
51	R	28.4	Very low	30.5	Very low	216 Å²	216	143 Å²	143	82%	0.815	80%	0.799	S	S	*	*			trans	15.1	155	136.5	-78.4	-179.4	155.4	-156.8	4.8	121.3
52	Q	28.9	Very low	31	Very low	133 Å²	133	144.6 Å²	144.6	62%	0.621	80%	0.802	S	S	*	*			cis	-161.7	154.8	15.9	-124.1	170.7	-85.1	0	0	107.3
53	E	29.8	Very low	31.2	Very low	121 Å²	121	148.6 Å²	148.6	57%	0.565	81%	0.805	S	S	*	*			cis	-148.7	-143.5	-6.2	-141.8	-179.1	100.2	0	0	108.5
54	H	32	Very low	32.1	Very low	166 Å²	166	152 Å²	152	77%	0.769	81%	0.805	S	S	*	*			cis	-142.7	-153.1	10	-155.7	30.5	0	0	0	109
55	L	29.4	Very low	32.5	Very low	124 Å²	124	149 Å²	149	65%	0.649	80%	0.8	S	S	*	*			trans	-127.8	146.8	179.9	-71.2	91.1	0	0	0	115.1
56	H	31.1	Very low	33.4	Very low	201 Å²	201	143.4 Å²	143.4	93%	0.931	80%	0.796	S	S	*	*			trans	-139.2	139.9	131.1	-106	-73.1	0	0	0	109.4
57	S	29.8	Very low	34.6	Very low	102 Å²	102	147.2 Å²	147.2	71%	0.713	79%	0.789	S	S	*	*			trans	-124	140.9	-167	55	0	0	0	0	113.6
58	S	30.7	Very low	36	Very low	131 Å²	131	150 Å²	150	92%	0.916	79%	0.786	S	S	*	*			trans	-148.4	133.7	153.9	-173.4	0	0	0	0	107.8
59	M	32.9	Very low	37.4	Very low	174 Å²	174	147.5 Å²	147.5	86%	0.857	78%	0.779	S	S	*	*			trans	-133.7	116.2	-161.5	-173.6	174.3	67.7	0	0	112
60	G	32.7	Very low	38.9	Very low	74 Å²	74	144.1 Å²	144.1	76%	0.763	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-79.5	140.9	168.2	0	0	0	0	0	111.7
61	Q	36.8	Very low	40.8	Very low	185 Å²	185	148.3 Å²	148.3	86%	0.864	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-76.1	149.8	-176.3	-74.9	-174.6	-18.8	0	0	113.8
62	P	41.8	Very low	42.9	Very low	127 Å²	127	143.6 Å²	143.6	83%	0.825	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-80	145.2	-179.9	32.7	-35.7	0	0	0	113
63	R	35.4	Very low	45.2	Very low	247 Å²	247	141.4 Å²	141.4	93%	0.932	75%	0.753	S	S	*	*			trans	-112.8	114.3	164.6	-90.9	-175.6	168	173.5	-2.6	111.2
64	R	49.2	Very low	47.4	Very low	239 Å²	239	139.9 Å²	139.9	90%	0.902	75%	0.747	S	S	*	*			trans	-64	144.3	157.4	-74	176.4	167.3	176.4	-4.8	109.5
65	T	39	Very low	49.9	Very low	130 Å²	130	134.2 Å²	134.2	80%	0.798	73%	0.729	S	S	*	*				-178.6	136.5	124.2	21.5	0	0	0	0	110.9	K67	T65-K67 PolarHBondContact O-N 3.32Å
66	G	52.8	Low	52.6	Low	83 Å²	83	131.1 Å²	131.1	86%	0.856	72%	0.721	S	S	*	*			trans	-79.7	98.4	179	0	0	0	0	0	112.4
67	K	52	Low	55.2	Low	163 Å²	163	125.3 Å²	125.3	71%	0.709	70%	0.7	S	S	*	*			trans	-126.5	-25.4	165	-78	-171.5	171.8	-175.9	0	114.2	T65 L69 C70	T65-K67 PolarHBondContact O-N 3.32Å; K67-L69 VanDerWaalsContact C-N 3.33Å; K67-L69 PolarHBondContact O-N 2.81Å; K67-C70 PolarHBondContact O-N 2.99Å
68	N	56.6	Low	58	Low	130 Å²	130	125 Å²	125	70%	0.695	69%	0.69	S	S	*	*	H	α-helix	trans	-68.8	-27.8	-174.4	-61.9	16.6	0	0	0	113.8	C70 F71 L72	N68-C70 VanDerWaalsContact C-N 3.29Å; N68-C70 PolarHBondContact O-N 2.97Å; N68-F71 PolarHBondContact O-N 2.83Å; N68-L72 PolarHBondContact O-N 2.84Å
69	L	58.8	Low	60.8	Low	133 Å²	133	124.8 Å²	124.8	70%	0.696	68%	0.678	S	S	*	*	H	α-helix	trans	-62.7	-35.6	-179.2	-158.7	75.6	0	0	0	112.4	K67 L72 V73	K67-L69 VanDerWaalsContact C-N 3.33Å; K67-L69 PolarHBondContact O-N 2.81Å; L69-L72 PolarHBondContact O-N 3.33Å; L69-V73 WeakPolarHBondContact O-CG2 3.47Å; L69-V73 PolarHBondContact O-N 3.01Å; L69-V73 VanDerWaalsContact O-N 3.14Å
70	C	60.7	Low	63.5	Low	80 Å²	80	122.7 Å²	122.7	54%	0.541	67%	0.669	S	S	.	*	H	α-helix	trans	-68.2	-38.8	179.4	-169.9	0	0	0	0	111.9	K67 N68 V73 I74	K67-C70 PolarHBondContact O-N 2.99Å; N68-C70 VanDerWaalsContact C-N 3.29Å; N68-C70 PolarHBondContact O-N 2.97Å; C70-V73 PolarHBondContact O-N 3.3Å; C70-I74 VanDerWaalsContact O-CG1 3.29Å; C70-I74 WeakPolarHBondContact O-CG1 3.27Å; C70-I74 PolarHBondContact O-N 2.9Å
71	F	67.3	Low	66.1	Low	155 Å²	155	124 Å²	124	68%	0.68	66%	0.659	S	S	*	*	H	α-helix	trans	-65.2	-38.6	175	-86.2	-82.2	0	0	0	112.8	N68 I74 A75	N68-F71 PolarHBondContact O-N 2.83Å; F71-I74 PolarHBondContact O-N 2.68Å; F71-A75 WeakPolarHBondContact O-CB 3.45Å; F71-A75 PolarHBondContact O-N 2.82Å
72	L	73.3	Confident	68.6	Low	118 Å²	118	119.5 Å²	119.5	62%	0.618	64%	0.639	S	S	*	*	H	α-helix	trans	-63.9	-42	174.9	-72.5	168.7	0	0	0	112	N68 L69 A75 A76	N68-L72 PolarHBondContact O-N 2.84Å; L69-L72 PolarHBondContact O-N 3.33Å; L72-A75 PolarHBondContact O-N 2.82Å; L72-A76 WeakPolarHBondContact O-CB 3.47Å; L72-A76 PolarHBondContact O-N 3.32Å
73	V	76.2	Confident	70.9	Confident	87 Å²	87	115.5 Å²	115.5	53%	0.527	62%	0.621	S	S	.	*	H	α-helix	trans	-64.6	-43.3	175.5	173.6	0	0	0	0	111.4	L69 C70 A76 V77	L69-V73 WeakPolarHBondContact O-CG2 3.47Å; L69-V73 PolarHBondContact O-N 3.01Å; L69-V73 VanDerWaalsContact O-N 3.14Å; C70-V73 PolarHBondContact O-N 3.3Å; V73-A76 PolarHBondContact O-N 3.33Å; V73-V77 WeakPolarHBondContact O-CG2 3.22Å; V73-V77 PolarHBondContact O-N 3.28Å
74	I	77.6	Confident	73.4	Confident	88 Å²	88	110.1 Å²	110.1	45%	0.451	61%	0.605	S	S	.	*	H	α-helix	trans	-63.3	-42.3	177.1	-69.5	164.6	0	0	0	111.3	C70 F71 V77 L78	C70-I74 VanDerWaalsContact O-CG1 3.29Å; C70-I74 WeakPolarHBondContact O-CG1 3.27Å; C70-I74 PolarHBondContact O-N 2.9Å; F71-I74 PolarHBondContact O-N 2.68Å; I74-V77 PolarHBondContact O-N 3.43Å; I74-L78 HydrophobicContact CG2-CD1 4.23Å; I74-L78 WeakPolarHBondContact O-CB 3.36Å; I74-L78 PolarHBondContact O-N 3.28Å
75	A	84.4	Confident	75	Confident	48 Å²	48	103.8 Å²	103.8	40%	0.397	59%	0.588	S	S	.	*	H	α-helix	trans	-63.9	-42.7	176.6	0	0	0	0	0	112.2	F71 L72 L78 L79	F71-A75 WeakPolarHBondContact O-CB 3.45Å; F71-A75 PolarHBondContact O-N 2.82Å; L72-A75 PolarHBondContact O-N 2.82Å; A75-L78 PolarHBondContact O-N 3.06Å; A75-L79 WeakPolarHBondContact O-CG 3.25Å; A75-L79 PolarHBondContact O-N 2.87Å
76	A	85.3	Confident	77.2	Confident	58 Å²	58	102.5 Å²	102.5	48%	0.479	58%	0.575	S	S	.	*	H	α-helix	trans	-61.9	-44.5	175.6	0	0	0	0	0	112	L72 V73 L78 L79 L80	L72-A76 WeakPolarHBondContact O-CB 3.47Å; L72-A76 PolarHBondContact O-N 3.32Å; V73-A76 PolarHBondContact O-N 3.33Å; A76-L78 PolarHBondContact O-N 3.09Å; A76-L79 PolarHBondContact O-N 2.94Å; A76-L80 WeakPolarHBondContact O-CB 3.33Å; A76-L80 PolarHBondContact O-N 3.21Å
77	V	86.7	Confident	78.7	Confident	79 Å²	79	100.4 Å²	100.4	48%	0.479	55%	0.554	S	S	.	*	H	α-helix	trans	-64.3	-39.2	176.7	171	0	0	0	0	111.7	V73 I74 L80 L81	V73-V77 WeakPolarHBondContact O-CG2 3.22Å; V73-V77 PolarHBondContact O-N 3.28Å; I74-V77 PolarHBondContact O-N 3.43Å; V77-L80 PolarHBondContact O-N 3.12Å; V77-L81 HydrophobicContact CG1-CD1 3.95Å; V77-L81 HydrophobicContact CG1-CG 4.42Å; V77-L81 WeakPolarHBondContact O-CB 3.3Å; V77-L81 WeakPolarHBondContact O-CG 3.26Å; V77-L81 PolarHBondContact O-N 3.09Å
78	L	88.1	Confident	80.1	Confident	97 Å²	97	97.7 Å²	97.7	51%	0.508	54%	0.54	S	S	.	.	H	α-helix	trans	-62.3	-45.5	174.8	-92.9	164.1	0	0	0	112.4	I74 A75 A76 L80 L81 I82	I74-L78 HydrophobicContact CG2-CD1 4.23Å; I74-L78 WeakPolarHBondContact O-CB 3.36Å; I74-L78 PolarHBondContact O-N 3.28Å; A75-L78 PolarHBondContact O-N 3.06Å; A76-L78 PolarHBondContact O-N 3.09Å; L78-L80 VanDerWaalsContact C-N 3.33Å; L78-L80 PolarHBondContact O-N 3.33Å; L78-L81 PolarHBondContact O-N 3.23Å; L78-I82 WeakPolarHBondContact O-CD1 3.48Å; L78-I82 VanDerWaalsContact O-CG1 3.27Å; L78-I82 WeakPolarHBondContact O-CG1 3.46Å; L78-I82 PolarHBondContact O-N 3.38Å
79	L	89.4	Confident	80.9	Confident	125 Å²	125	96.5 Å²	96.5	65%	0.654	53%	0.533	S	S	*	.	H	α-helix	trans	-62.6	-40	176.1	-71.7	169.2	0	0	0	111.9	A75 A76 I82 G83	A75-L79 WeakPolarHBondContact O-CG 3.25Å; A75-L79 PolarHBondContact O-N 2.87Å; A76-L79 PolarHBondContact O-N 2.94Å; L79-I82 PolarHBondContact O-N 2.9Å; L79-G83 PolarHBondContact O-N 2.85Å
80	L	89.6	Confident	81.4	Confident	131 Å²	131	93.4 Å²	93.4	69%	0.686	52%	0.523	S	S	*	.	H	α-helix	trans	-65.8	-40.9	176.9	-139.4	170.2	0	0	0	111.5	A76 V77 L78 G83 F84	A76-L80 WeakPolarHBondContact O-CB 3.33Å; A76-L80 PolarHBondContact O-N 3.21Å; V77-L80 PolarHBondContact O-N 3.12Å; L78-L80 VanDerWaalsContact C-N 3.33Å; L78-L80 PolarHBondContact O-N 3.33Å; L80-G83 PolarHBondContact O-N 3.36Å; L80-F84 WeakPolarHBondContact O-CB 3.49Å; L80-F84 PolarHBondContact O-N 3.39Å
81	L	86.9	Confident	82	Confident	102 Å²	102	97.2 Å²	97.2	53%	0.534	53%	0.526	S	S	.	.	H	α-helix	trans	-66.3	-40.2	174.6	-75.5	169.9	0	0	0	112.6	V77 L78 F84 L85	V77-L81 HydrophobicContact CG1-CD1 3.95Å; V77-L81 HydrophobicContact CG1-CG 4.42Å; V77-L81 WeakPolarHBondContact O-CB 3.3Å; V77-L81 WeakPolarHBondContact O-CG 3.26Å; V77-L81 PolarHBondContact O-N 3.09Å; L78-L81 PolarHBondContact O-N 3.23Å; L81-F84 PolarHBondContact O-N 2.77Å; L81-L85 WeakPolarHBondContact O-CB 3.3Å; L81-L85 PolarHBondContact O-N 2.77Å
82	I	90.4	Very high	81.8	Confident	90 Å²	90	98 Å²	98	46%	0.462	53%	0.525	S	S	.	.	H	α-helix	trans	-64.7	-46.1	175.5	-69.7	163.4	0	0	0	110.3	L78 L79 F84 L85 I86	L78-I82 WeakPolarHBondContact O-CD1 3.48Å; L78-I82 VanDerWaalsContact O-CG1 3.27Å; L78-I82 WeakPolarHBondContact O-CG1 3.46Å; L78-I82 PolarHBondContact O-N 3.38Å; L79-I82 PolarHBondContact O-N 2.9Å; I82-F84 VanDerWaalsContact C-N 3.34Å; I82-F84 PolarHBondContact O-N 3.04Å; I82-L85 PolarHBondContact O-N 3.04Å; I82-I86 HydrophobicContact CG2-CD1 3.82Å; I82-I86 WeakPolarHBondContact O-CG1 3.34Å; I82-I86 PolarHBondContact O-N 2.82Å
83	G	89.1	Confident	80.7	Confident	43 Å²	43	95.5 Å²	95.5	44%	0.443	53%	0.528	S	S	.	.	H	α-helix	trans	-59.9	-42.5	174.5	0	0	0	0	0	112.6	L79 L80 I86 G87	L79-G83 PolarHBondContact O-N 2.85Å; L80-G83 PolarHBondContact O-N 3.36Å; G83-I86 PolarHBondContact O-N 3.21Å; G83-G87 PolarHBondContact O-N 2.76Å
84	F	88.2	Confident	79.6	Confident	134 Å²	134	102 Å²	102	59%	0.588	54%	0.543	S	S	*	.	H	α-helix	trans	-63.3	-40.4	174	-177.2	-94.2	0	0	0	112.2	L80 L81 I82 G87 Y88	L80-F84 WeakPolarHBondContact O-CB 3.49Å; L80-F84 PolarHBondContact O-N 3.39Å; L81-F84 PolarHBondContact O-N 2.77Å; I82-F84 VanDerWaalsContact C-N 3.34Å; I82-F84 PolarHBondContact O-N 3.04Å; F84-G87 PolarHBondContact O-N 2.88Å; F84-Y88 WeakPolarHBondContact O-CB 3.45Å; F84-Y88 PolarHBondContact O-N 2.85Å
85	L	83.6	Confident	77.9	Confident	106 Å²	106	103 Å²	103	56%	0.555	55%	0.547	S	S	*	.	H	α-helix	trans	-66.6	-43.8	178.7	-147.2	82.7	0	0	0	111.8	L81 I82 Y88 L89	L81-L85 WeakPolarHBondContact O-CB 3.3Å; L81-L85 PolarHBondContact O-N 2.77Å; I82-L85 PolarHBondContact O-N 3.04Å; L85-Y88 PolarHBondContact O-N 3.49Å; L85-L89 WeakPolarHBondContact O-CB 3.49Å; L85-L89 VanDerWaalsContact O-CG 3.28Å; L85-L89 WeakPolarHBondContact O-CG 3.21Å; L85-L89 PolarHBondContact O-N 3.26Å
86	I	84.6	Confident	75.8	Confident	102 Å²	102	109.2 Å²	109.2	52%	0.523	57%	0.568	S	S	.	*	H	α-helix	trans	-63.6	-42.9	175.9	-66.7	166.8	0	0	0	110.4	I82 G83 S90	I82-I86 HydrophobicContact CG2-CD1 3.82Å; I82-I86 WeakPolarHBondContact O-CG1 3.34Å; I82-I86 PolarHBondContact O-N 2.82Å; G83-I86 PolarHBondContact O-N 3.21Å; I86-S90 VanDerWaalsContact O-CB 3.22Å; I86-S90 WeakPolarHBondContact O-CB 3.12Å; I86-S90 PolarHBondContact O-N 2.99Å; I86-S90 PolarHBondContact O-OG 3.23Å
87	G	83.5	Confident	73.7	Confident	39 Å²	39	114.2 Å²	114.2	40%	0.402	58%	0.583	S	S	.	*	H	α-helix	trans	-63.4	-43.5	174.8	0	0	0	0	0	112.7	G83 F84 S90 Y91	G83-G87 PolarHBondContact O-N 2.76Å; F84-G87 PolarHBondContact O-N 2.88Å; G87-S90 PolarHBondContact O-N 2.85Å; G87-Y91 VanDerWaalsContact O-CB 3.28Å; G87-Y91 WeakPolarHBondContact O-CB 3.29Å; G87-Y91 PolarHBondContact O-N 3.37Å
88	Y	81.9	Confident	71.5	Confident	106 Å²	106	114.9 Å²	114.9	42%	0.416	60%	0.597	S	S	.	*	H	α-helix	trans	-64.9	-44.5	177.5	178.4	-99.1	0	0	0	112.3	F84 L85 Y91 R92	F84-Y88 WeakPolarHBondContact O-CB 3.45Å; F84-Y88 PolarHBondContact O-N 2.85Å; L85-Y88 PolarHBondContact O-N 3.49Å; Y88-Y91 PolarHBondContact O-N 2.85Å; Y88-R92 WeakPolarHBondContact O-CB 3.38Å; Y88-R92 PolarHBondContact O-N 2.79Å
89	L	74.3	Confident	69.3	Low	106 Å²	106	114.3 Å²	114.3	56%	0.555	61%	0.606	S	S	*	*	H	α-helix	trans	-64.4	-41.4	175.5	-71.6	168.4	0	0	0	111.4	L85 R92 G93	L85-L89 WeakPolarHBondContact O-CB 3.49Å; L85-L89 VanDerWaalsContact O-CG 3.28Å; L85-L89 WeakPolarHBondContact O-CG 3.21Å; L85-L89 PolarHBondContact O-N 3.26Å; L89-R92 PolarHBondContact O-N 2.94Å; L89-G93 PolarHBondContact O-N 2.87Å
90	S	69.2	Low	66.9	Low	68 Å²	68	117.5 Å²	117.5	48%	0.476	62%	0.615	S	S	.	*	H	α-helix	trans	-66.2	-36.4	175.9	-61.4	0	0	0	0	112.7	I86 G87 R94	I86-S90 VanDerWaalsContact O-CB 3.22Å; I86-S90 WeakPolarHBondContact O-CB 3.12Å; I86-S90 PolarHBondContact O-N 2.99Å; I86-S90 PolarHBondContact O-OG 3.23Å; G87-S90 PolarHBondContact O-N 2.85Å; S90-R94 PolarHBondContact O-N 3.35Å
91	Y	71.9	Confident	64.8	Low	159 Å²	159	116 Å²	116	62%	0.624	61%	0.614	S	S	*	*	H	α-helix	trans	-66.8	-46.4	172.9	178.9	-99.5	0	0	0	111.4	G87 Y88 G93 R94 M95	G87-Y91 VanDerWaalsContact O-CB 3.28Å; G87-Y91 WeakPolarHBondContact O-CB 3.29Å; G87-Y91 PolarHBondContact O-N 3.37Å; Y88-Y91 PolarHBondContact O-N 2.85Å; Y91-G93 VanDerWaalsContact C-N 3.35Å; Y91-G93 PolarHBondContact O-N 2.87Å; Y91-R94 PolarHBondContact O-N 2.56Å; Y91-M95 HydrophobicContact CE1-SD 4.44Å; Y91-M95 PolarHBondContact O-N 2.83Å
92	R	63.2	Low	63	Low	171 Å²	171	118 Å²	118	65%	0.645	63%	0.625	S	S	*	*	H	α-helix	trans	-63.9	-39.3	177.6	-133	179.5	-175.6	-161	0.4	112	Y88 L89 R94 M95	Y88-R92 WeakPolarHBondContact O-CB 3.38Å; Y88-R92 PolarHBondContact O-N 2.79Å; L89-R92 PolarHBondContact O-N 2.94Å; R92-R94 VanDerWaalsContact C-N 3.27Å; R92-R94 PolarHBondContact O-N 3.46Å; R92-M95 PolarHBondContact O-N 2.72Å; R92-M95 VanDerWaalsContact O-N 3.09Å
93	G	51.5	Low	60.9	Low	66 Å²	66	120.8 Å²	120.8	68%	0.68	64%	0.64	S	S	*	*	H	α-helix	trans	-64.9	-24.6	175.5	0	0	0	0	0	114.4	L89 Y91	L89-G93 PolarHBondContact O-N 2.87Å; Y91-G93 VanDerWaalsContact C-N 3.35Å; Y91-G93 PolarHBondContact O-N 2.87Å
94	R	52.2	Low	59.1	Low	224 Å²	224	123.3 Å²	123.3	85%	0.845	67%	0.667	S	S	*	*	H	α-helix	trans	-87.5	-10.1	171.8	-70.9	-172.6	-176	-156.1	2	113.9	S90 Y91 R92 Q96	S90-R94 PolarHBondContact O-N 3.35Å; Y91-R94 PolarHBondContact O-N 2.56Å; R92-R94 VanDerWaalsContact C-N 3.27Å; R92-R94 PolarHBondContact O-N 3.46Å; R94-Q96 PolarHBondContact O-N 2.82Å
95	M	41.2	Very low	57.5	Low	109 Å²	109	121.5 Å²	121.5	54%	0.537	67%	0.67	S	S	.	*			trans	-87.3	52.2	-176.9	-158	172.7	-177.4	0	0	112.6	Y91 R92	Y91-M95 HydrophobicContact CE1-SD 4.44Å; Y91-M95 PolarHBondContact O-N 2.83Å; R92-M95 PolarHBondContact O-N 2.72Å; R92-M95 VanDerWaalsContact O-N 3.09Å
96	Q	42	Very low	55.9	Low	178 Å²	178	120.2 Å²	120.2	83%	0.832	68%	0.683	S	S	*	*			trans	-59.4	144.9	152.9	-82.1	-175.9	-33.9	0	0	108.7	R94 A98	R94-Q96 PolarHBondContact O-N 2.82Å; Q96-A98 PolarHBondContact O-N 3.08Å
97	M	40.9	Very low	53.7	Low	164 Å²	164	126.3 Å²	126.3	81%	0.808	70%	0.7	S	S	*	*			trans	-61.5	107.6	-164.7	-70.3	-67.9	108.6	0	0	112.8	A99	M97-A99 PolarHBondContact O-N 2.88Å; M97-A99 VanDerWaalsContact O-N 3.11Å
98	A	39.3	Very low	51.7	Low	92 Å²	92	129.4 Å²	129.4	76%	0.76	71%	0.714	S	S	*	*			trans	-66.9	107.1	163.9	0	0	0	0	0	109	Q96 K100	Q96-A98 PolarHBondContact O-N 3.08Å; A98-K100 PolarHBondContact O-N 2.97Å; A98-K100 VanDerWaalsContact O-N 3.07Å
99	A	42	Very low	49.4	Very low	86 Å²	86	133.5 Å²	133.5	71%	0.711	74%	0.737	S	S	*	*			trans	-62.2	109.7	-179.7	0	0	0	0	0	110.9	M97 C101	M97-A99 PolarHBondContact O-N 2.88Å; M97-A99 VanDerWaalsContact O-N 3.11Å; A99-C101 PolarHBondContact O-N 3.32Å; A99-C101 VanDerWaalsContact O-N 3.09Å
100	K	39.5	Very low	47.7	Very low	192 Å²	192	137.3 Å²	137.3	84%	0.835	75%	0.754	S	S	*	*			trans	-79.4	87.2	172.4	-83.8	-170.4	172.2	-176.6	0	110.4	A98 L102	A98-K100 PolarHBondContact O-N 2.97Å; A98-K100 VanDerWaalsContact O-N 3.07Å; K100-L102 PolarHBondContact O-N 3.45Å
101	C	45.7	Very low	45.8	Very low	98 Å²	98	140 Å²	140	66%	0.662	77%	0.768	S	S	*	*			trans	-63.4	115	160.2	-58.5	0	0	0	0	108.8	A99 C108	A99-C101 PolarHBondContact O-N 3.32Å; A99-C101 VanDerWaalsContact O-N 3.09Å; C101-C108 VanDerWaalsContact SG-SG 3.7Å
102	L	49.6	Very low	44.3	Very low	145 Å²	145	138.5 Å²	138.5	76%	0.759	78%	0.778	S	S	*	*			trans	-112.2	135.4	169.3	-89	159.2	0	0	0	108.5	K100	K100-L102 PolarHBondContact O-N 3.45Å
103	D	46.5	Very low	42.8	Very low	148 Å²	148	136.9 Å²	136.9	79%	0.791	79%	0.787	S	S	*	*	S	Bend	trans	56.5	127.2	-170.9	-64.4	-27.7	0	0	0	116.9	S105	D103-S105 PolarHBondContact O-N 3.4Å; D103-S105 PolarHBondContact O-OG 3.25Å
104	G	49.6	Very low	41.8	Very low	97 Å²	97	139.2 Å²	139.2	100%	1	79%	0.788	S	S	*	*	S	Bend	trans	-72.8	62.5	-171.1	0	0	0	0	0	114.9
105	S	54.5	Low	40.8	Very low	95 Å²	95	133.2 Å²	133.2	66%	0.664	78%	0.78	S	S	*	*	S	Bend	trans	-111.1	-4.9	-178	62.6	0	0	0	0	114.4	D103	D103-S105 PolarHBondContact O-N 3.4Å; D103-S105 PolarHBondContact O-OG 3.25Å
106	G	51	Low	40.2	Very low	80 Å²	80	138.7 Å²	138.7	83%	0.825	80%	0.797	S	S	*	*			trans	76.1	26.8	164.2	0	0	0	0	0	116.5
107	R	38.6	Very low	39.8	Very low	229 Å²	229	137.9 Å²	137.9	86%	0.864	80%	0.797	S	S	*	*			trans	-132.3	135.8	171.4	-64.2	-173.7	-179.6	-171.1	-0.5	111.3
108	C	41.5	Very low	39.4	Very low	105 Å²	105	134.5 Å²	134.5	71%	0.709	80%	0.796	S	S	*	*			trans	-119.2	136.7	168.3	-69.2	0	0	0	0	107.9	C101	C101-C108 VanDerWaalsContact SG-SG 3.7Å
109	E	33.3	Very low	39.3	Very low	192 Å²	192	137.9 Å²	137.9	90%	0.897	80%	0.801	S	S	*	*			trans	-119	128	-175	-170.5	164.5	-131.2	0	0	109.2
110	M	38.1	Very low	38.8	Very low	186 Å²	186	141.4 Å²	141.4	92%	0.916	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-95.6	121.8	177.3	-70.7	-172.6	-179.9	0	0	110
111	T	30	Very low	38.6	Very low	125 Å²	125	140.1 Å²	140.1	77%	0.767	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-90.6	126.8	169.2	34.4	0	0	0	0	110.9
112	P	41.1	Very low	38	Very low	127 Å²	127	143.9 Å²	143.9	83%	0.825	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-74.1	147.6	173	31.8	-34.2	0	0	0	110.3
113	T	30.9	Very low	37.3	Very low	136 Å²	136	143.3 Å²	143.3	83%	0.834	82%	0.82	S	S	*	*			trans	-117.1	136.1	169.7	-58.3	0	0	0	0	109.9
114	T	30.3	Very low	36.8	Very low	115 Å²	115	145.6 Å²	145.6	71%	0.706	83%	0.826	S	S	*	*			trans	-62.5	146.5	-170.5	45.7	0	0	0	0	114.4
115	S	30.7	Very low	36.1	Very low	98 Å²	98	143.8 Å²	143.8	69%	0.685	81%	0.808	S	S	*	*			trans	-63.7	149.2	165.9	45.8	0	0	0	0	112.5
116	Y	28.4	Very low	35.2	Very low	224 Å²	224	147 Å²	147	88%	0.878	82%	0.817	S	S	*	*			trans	-121.8	104.8	150.7	-86.7	-85.6	0	0	0	107
117	L	34.5	Very low	34.5	Very low	162 Å²	162	151.6 Å²	151.6	85%	0.848	82%	0.819	S	S	*	*			trans	-86.9	137.2	163.7	-71.9	167.8	0	0	0	108.1
118	A	31.7	Very low	34.7	Very low	93 Å²	93	146 Å²	146	77%	0.769	81%	0.813	S	S	*	*			trans	-132.3	138.2	156.4	0	0	0	0	0	105.5	D120	A118-D120 PolarHBondContact O-N 3.4Å
119	D	37.9	Very low	34.9	Very low	162 Å²	162	149.6 Å²	149.6	87%	0.866	82%	0.819	S	S	*	*			trans	-73.4	128.1	-163.3	-45.6	-88.3	0	0	0	112.8
120	D	31.6	Very low	35.6	Very low	160 Å²	160	144.9 Å²	144.9	86%	0.856	81%	0.805	S	S	*	*			trans	-141	118	148.6	-97.9	-42	0	0	0	107	A118 E122	A118-D120 PolarHBondContact O-N 3.4Å; D120-E122 VanDerWaalsContact C-N 3.29Å; D120-E122 PolarHBondContact O-N 3.43Å; D120-E122 VanDerWaalsContact O-N 3.12Å
121	D	35.4	Very low	36.6	Very low	165 Å²	165	140.5 Å²	140.5	88%	0.882	79%	0.793	S	S	*	*			trans	-89.9	57.6	-169.3	-166.2	23.5	0	0	0	111.3
122	E	33	Very low	38.9	Very low	178 Å²	178	139.7 Å²	139.7	83%	0.832	78%	0.783	S	S	*	*			trans	-99	122.4	164.2	-71.8	-158.5	162.7	0	0	109.7	D120 E124	D120-E122 VanDerWaalsContact C-N 3.29Å; D120-E122 PolarHBondContact O-N 3.43Å; D120-E122 VanDerWaalsContact O-N 3.12Å; E122-E124 PolarHBondContact O-N 3.22Å
123	T	34.9	Very low	41.1	Very low	132 Å²	132	135 Å²	135	81%	0.81	75%	0.75	S	S	*	*			trans	-68	101.3	177	53	0	0	0	0	110.3	G125	T123-G125 PolarHBondContact O-N 3.07Å
124	E	35.9	Very low	44	Very low	196 Å²	196	135.5 Å²	135.5	92%	0.916	74%	0.738	S	S	*	*			trans	-60.8	87.2	154	-74.4	-160.5	147.7	0	0	107.9	E122 D126	E122-E124 PolarHBondContact O-N 3.22Å; E124-D126 PolarHBondContact O-N 3.3Å
125	G	34.4	Very low	47	Very low	59 Å²	59	132.7 Å²	132.7	61%	0.608	72%	0.715	S	S	*	*			trans	-64	128.4	172.4	0	0	0	0	0	108.9	T123 M127	T123-G125 PolarHBondContact O-N 3.07Å; G125-M127 PolarHBondContact O-N 2.93Å
126	D	35.9	Very low	50	Low	163 Å²	163	131.7 Å²	131.7	87%	0.872	71%	0.706	S	S	*	*			trans	-44.2	105.9	176.7	-71.9	-62.8	0	0	0	110.1	E124 P128	E124-D126 PolarHBondContact O-N 3.3Å; D126-P128 WeakPolarHBondContact O-CD 3.26Å
127	M	37.4	Very low	53.1	Low	176 Å²	176	125.5 Å²	125.5	87%	0.867	69%	0.685	S	S	*	*			trans	-60.5	107.6	171.4	-91.9	-85	-76	0	0	106.6	G125 E129	G125-M127 PolarHBondContact O-N 2.93Å; M127-E129 PolarHBondContact O-N 3.2Å
128	P	42.7	Very low	56	Low	111 Å²	111	117.8 Å²	117.8	72%	0.721	64%	0.644	S	S	*	*			trans	-64.5	126.2	-169.9	25.5	-33.1	0	0	0	108.6	D126	D126-P128 WeakPolarHBondContact O-CD 3.26Å
129	E	43.8	Very low	58.9	Low	181 Å²	181	115.8 Å²	115.8	85%	0.846	62%	0.618	S	S	*	*			trans	-49.3	127.5	173.7	-70	-166.9	134.7	0	0	108.4	M127 S131	M127-E129 PolarHBondContact O-N 3.2Å; E129-S131 PolarHBondContact O-N 2.77Å
130	P	49.3	Very low	61.6	Low	94 Å²	94	112.1 Å²	112.1	61%	0.61	60%	0.599	S	S	*	*			trans	-64.2	103.9	-166.3	23.7	-33.9	0	0	0	110	I132	P130-I132 PolarHBondContact O-N 3.37Å
131	S	59	Low	64.7	Low	93 Å²	93	106.4 Å²	106.4	65%	0.65	57%	0.568	S	S	*	*			trans	-56.5	106.6	-170.1	49.7	0	0	0	0	111.6	E129 L133	E129-S131 PolarHBondContact O-N 2.77Å; S131-L133 PolarHBondContact O-N 3Å; S131-L133 VanDerWaalsContact O-N 3.08Å
132	I	77.4	Confident	67.6	Low	109 Å²	109	98.5 Å²	98.5	56%	0.559	53%	0.526	S	S	*	.			trans	-73.2	105.1	177.8	-57.6	179	0	0	0	107.4	P130 Y134	P130-I132 PolarHBondContact O-N 3.37Å; I132-Y134 VanDerWaalsContact O-CD2 3.22Å; I132-Y134 WeakPolarHBondContact O-CD2 3.39Å; I132-Y134 WeakPolarHBondContact O-CE2 3.44Å; I132-Y134 PolarHBondContact O-N 2.81Å
133	L	88.3	Confident	70.6	Confident	27 Å²	27	91.4 Å²	91.4	14%	0.141	50%	0.496	C	S	.	.			trans	-67.9	115.3	172.3	-68.5	179.6	0	0	0	109.7	S131 Q137 L138 L141 H623	S131-L133 PolarHBondContact O-N 3Å; S131-L133 VanDerWaalsContact O-N 3.08Å; L133-Q137 HydrophobicContact CD2-CB 4.32Å; L133-L138 HydrophobicContact CB-CD2 3.8Å; L133-L138 HydrophobicContact CB-CG 3.99Å; L133-L138 HydrophobicContact CD1-CD2 3.64Å; L133-L138 HydrophobicContact CG-CD2 4.41Å; L133-L141 HydrophobicContact CD1-CD1 3.86Å; L133-L141 HydrophobicContact CD2-CD1 4.48Å; L133-H623 PolarHBondContact O-NE2 3.21Å
134	Y	91.4	Very high	73.5	Confident	147 Å²	147	91.8 Å²	91.8	58%	0.576	49%	0.493	S	S	*	.			trans	-81	160.7	176.3	-67	-85.2	0	0	0	111.7	I132 P136 Q137 L138	I132-Y134 VanDerWaalsContact O-CD2 3.22Å; I132-Y134 WeakPolarHBondContact O-CD2 3.39Å; I132-Y134 WeakPolarHBondContact O-CE2 3.44Å; I132-Y134 PolarHBondContact O-N 2.81Å; Y134-P136 VanDerWaalsContact C-CD 3.45Å; Y134-P136 VanDerWaalsContact O-N 3.14Å; Y134-Q137 WeakPolarHBondContact O-CB 3.37Å; Y134-Q137 PolarHBondContact O-N 2.82Å; Y134-L138 PolarHBondContact O-N 3.04Å; Y134-L138 VanDerWaalsContact O-N 3.13Å
135	W	92.9	Very high	76.4	Confident	57 Å²	57	84.4 Å²	84.4	22%	0.216	46%	0.458	C	S	.	.	H	α-helix	trans	-45.6	-44.5	-177.9	174.3	-112.1	0	0	0	115.9	Q137 L138 K139 Q616 L619 R620	W135-Q137 PolarHBondContact O-N 2.85Å; W135-L138 PolarHBondContact O-N 3.09Å; W135-K139 WeakPolarHBondContact O-CB 3.34Å; W135-K139 PolarHBondContact O-N 3.41Å; W135-Q616 HydrophobicContact CH2-CB 3.96Å; W135-Q616 HydrophobicContact CH2-CG 4.13Å; W135-Q616 WeakPolarHBondContact CH2-O 3.35Å; W135-Q616 HydrophobicContact CZ2-CB 4.48Å; W135-Q616 HydrophobicContact CZ2-CG 4.48Å; W135-L619 HydrophobicContact CZ3-CB 4.06Å; W135-R620 VanDerWaalsContact CD1-NH1 3.33Å; W135-R620 HydrophobicContact CH2-CB 3.95Å; W135-R620 HydrophobicContact CZ3-CB 3.84Å; W135-R620 HydrophobicContact CZ3-CG 4.46Å
136	P	93.1	Very high	79.4	Confident	76 Å²	76	82 Å²	82	49%	0.494	43%	0.431	S	S	.	.	H	α-helix	trans	-61.2	-42.2	177.3	-22.7	34.9	0	0	0	112.8	Y134 L138 K139 D140	Y134-P136 VanDerWaalsContact C-CD 3.45Å; Y134-P136 VanDerWaalsContact O-N 3.14Å; P136-L138 PolarHBondContact O-N 3.41Å; P136-K139 WeakPolarHBondContact O-CB 3.3Å; P136-K139 PolarHBondContact O-N 2.94Å; P136-D140 VanDerWaalsContact O-CG 3.28Å; P136-D140 PolarHBondContact O-N 2.99Å
137	Q	94	Very high	82.3	Confident	94 Å²	94	76.2 Å²	76.2	44%	0.439	40%	0.403	S	S	.	.	H	α-helix	trans	-65.2	-42.2	179.3	-64.1	164.9	-45.6	0	0	110.9	L133 Y134 W135 D140 L141	L133-Q137 HydrophobicContact CD2-CB 4.32Å; Y134-Q137 WeakPolarHBondContact O-CB 3.37Å; Y134-Q137 PolarHBondContact O-N 2.82Å; W135-Q137 PolarHBondContact O-N 2.85Å; Q137-D140 PolarHBondContact O-N 3.27Å; Q137-L141 VanDerWaalsContact O-CB 3.3Å; Q137-L141 WeakPolarHBondContact O-CB 3.02Å; Q137-L141 WeakPolarHBondContact O-CG 3.37Å; Q137-L141 PolarHBondContact O-N 3.45Å
138	L	94.9	Very high	85	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-65.3	-39.4	176.4	-67.9	176.5	0	0	0	112.8	L133 Y134 W135 P136 L142 M449 Y455 H623	L133-L138 HydrophobicContact CB-CD2 3.8Å; L133-L138 HydrophobicContact CB-CG 3.99Å; L133-L138 HydrophobicContact CD1-CD2 3.64Å; L133-L138 HydrophobicContact CG-CD2 4.41Å; Y134-L138 PolarHBondContact O-N 3.04Å; Y134-L138 VanDerWaalsContact O-N 3.13Å; W135-L138 PolarHBondContact O-N 3.09Å; P136-L138 PolarHBondContact O-N 3.41Å; L138-L142 WeakPolarHBondContact O-CB 3.36Å; L138-L142 PolarHBondContact O-N 3.37Å; L138-M449 HydrophobicContact CD2-CE 3.92Å; L138-Y455 HydrophobicContact CD1-CD2 3.77Å; L138-Y455 HydrophobicContact CD1-CE2 3.74Å; L138-Y455 HydrophobicContact CD2-CD2 3.4Å; L138-Y455 HydrophobicContact CD2-CE2 4.11Å; L138-Y455 HydrophobicContact CD2-CG 3.77Å; L138-Y455 HydrophobicContact CG-CD2 4.26Å; L138-H623 HydrophobicContact CD1-CB 4.12Å; L138-H623 WeakPolarHBondContact CD1-CD2 3.06Å
139	K	94.5	Very high	87.6	Confident	51 Å²	51	73.7 Å²	73.7	22%	0.222	38%	0.381	C	S	.	.	H	α-helix	trans	-61	-48.1	174.8	-171.9	-148.3	177.1	-164	0	111	W135 P136 L142 S143 G525 Q616	W135-K139 WeakPolarHBondContact O-CB 3.34Å; W135-K139 PolarHBondContact O-N 3.41Å; P136-K139 WeakPolarHBondContact O-CB 3.3Å; P136-K139 PolarHBondContact O-N 2.94Å; K139-L142 PolarHBondContact O-N 2.66Å; K139-S143 WeakPolarHBondContact O-CB 3.26Å; K139-S143 PolarHBondContact O-N 2.95Å; K139-G525 WeakPolarHBondContact CE-O 3.02Å; K139-G525 PolarHBondContact NZ-O 2.9Å; K139-Q616 HydrophobicContact CG-CG 4.37Å
140	D	94.2	Very high	90.1	Very high	86 Å²	86	70.3 Å²	70.3	46%	0.46	36%	0.36	S	S	.	.	H	α-helix	trans	-70.6	-38.7	-178.1	-65.4	-14.6	0	0	0	111.5	P136 Q137 S143 N144	P136-D140 VanDerWaalsContact O-CG 3.28Å; P136-D140 PolarHBondContact O-N 2.99Å; Q137-D140 PolarHBondContact O-N 3.27Å; D140-S143 PolarHBondContact O-N 3.42Å; D140-N144 VanDerWaalsContact O-CB 3.28Å; D140-N144 WeakPolarHBondContact O-CB 3.31Å; D140-N144 PolarHBondContact O-N 2.96Å; D140-N144 PolarHBondContact O-ND2 2.79Å
141	L	96.1	Very high	92.4	Very high	39 Å²	39	65.8 Å²	65.8	20%	0.204	33%	0.331	C	S	.	.	H	α-helix	trans	-58.7	-47.5	172.5	-78	168.1	0	0	0	112.1	L133 Q137 N144 K145 M449 D453	L133-L141 HydrophobicContact CD1-CD1 3.86Å; L133-L141 HydrophobicContact CD2-CD1 4.48Å; Q137-L141 VanDerWaalsContact O-CB 3.3Å; Q137-L141 WeakPolarHBondContact O-CB 3.02Å; Q137-L141 WeakPolarHBondContact O-CG 3.37Å; Q137-L141 PolarHBondContact O-N 3.45Å; L141-N144 PolarHBondContact O-N 3.28Å; L141-K145 WeakPolarHBondContact O-CB 3.29Å; L141-K145 VanDerWaalsContact O-CG 3.29Å; L141-K145 WeakPolarHBondContact O-CG 3.36Å; L141-K145 PolarHBondContact O-N 2.78Å; L141-K145 VanDerWaalsContact O-N 3.07Å; L141-M449 HydrophobicContact CB-CE 3.92Å; L141-M449 HydrophobicContact CB-SD 4.38Å; L141-D453 HydrophobicContact CD1-CB 4.22Å; L141-D453 HydrophobicContact CD2-CB 4.28Å
142	L	97.2	Very high	94.1	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-58.4	-51.9	174.6	173.4	66.4	0	0	0	110.9	L138 K139 N144 K145 L146 L442 V445 M449 G615 Q616 L619	L138-L142 WeakPolarHBondContact O-CB 3.36Å; L138-L142 PolarHBondContact O-N 3.37Å; K139-L142 PolarHBondContact O-N 2.66Å; L142-N144 VanDerWaalsContact C-N 3.31Å; L142-N144 PolarHBondContact O-N 2.95Å; L142-K145 PolarHBondContact O-N 2.82Å; L142-L146 HydrophobicContact CD1-CD1 3.98Å; L142-L146 HydrophobicContact CD1-CD2 4.43Å; L142-L146 HydrophobicContact CD1-CG 4.06Å; L142-L146 HydrophobicContact CG-CD1 4.01Å; L142-L146 HydrophobicContact CG-CG 4.49Å; L142-L146 WeakPolarHBondContact O-CG 3.45Å; L142-L146 PolarHBondContact O-N 3.02Å; L142-L146 VanDerWaalsContact O-N 3.17Å; L142-L442 HydrophobicContact CD1-CD2 4.33Å; L142-V445 HydrophobicContact CD1-CG1 3.84Å; L142-M449 HydrophobicContact CB-SD 4.22Å; L142-G615 VanDerWaalsContact CD2-C 3.47Å; L142-Q616 HydrophobicContact CD2-CG 3.83Å; L142-L619 HydrophobicContact CB-CD1 3.89Å; L142-L619 HydrophobicContact CD2-CD1 3.79Å; L142-L619 HydrophobicContact CG-CD1 4.28Å
143	S	94.6	Very high	94.9	Very high	28 Å²	28	59.9 Å²	59.9	20%	0.196	30%	0.3	C	S	.	.	H	α-helix	trans	-61.6	-39.7	-176.4	-150.4	0	0	0	0	111.8	K139 D140 R608 E612	K139-S143 WeakPolarHBondContact O-CB 3.26Å; K139-S143 PolarHBondContact O-N 2.95Å; D140-S143 PolarHBondContact O-N 3.42Å; S143-R608 PolarHBondContact O-NH2 2.83Å; S143-R608 PolarHBondContact OG-NH2 3.48Å; S143-E612 WeakPolarHBondContact CB-OE1 3.36Å; S143-E612 PolarHBondContact OG-OE1 2.76Å; S143-E612 PolarHBondContact OG-OE2 2.62Å
144	N	95.5	Very high	95.2	Very high	140 Å²	140	59.7 Å²	59.7	75%	0.749	30%	0.299	S	S	*	.	H	α-helix	trans	-71.3	-30.7	178.1	-72.8	-38.9	0	0	0	113.7	D140 L141 L142	D140-N144 VanDerWaalsContact O-CB 3.28Å; D140-N144 WeakPolarHBondContact O-CB 3.31Å; D140-N144 PolarHBondContact O-N 2.96Å; D140-N144 PolarHBondContact O-ND2 2.79Å; L141-N144 PolarHBondContact O-N 3.28Å; L142-N144 VanDerWaalsContact C-N 3.31Å; L142-N144 PolarHBondContact O-N 2.95Å
145	K	97	Very high	95.4	Very high	41 Å²	41	52.8 Å²	52.8	18%	0.178	27%	0.272	C	S	.	.	H	α-helix	trans	-87.2	-18.6	-177.6	-72.6	173.5	-176.4	-74.7	0	114.7	L141 L142 S147 R444 V445 D448 M449 D453	L141-K145 WeakPolarHBondContact O-CB 3.29Å; L141-K145 VanDerWaalsContact O-CG 3.29Å; L141-K145 WeakPolarHBondContact O-CG 3.36Å; L141-K145 PolarHBondContact O-N 2.78Å; L141-K145 VanDerWaalsContact O-N 3.07Å; L142-K145 PolarHBondContact O-N 2.82Å; K145-S147 PolarHBondContact O-N 3.48Å; K145-R444 PolarHBondContact O-NH2 3.12Å; K145-V445 HydrophobicContact CB-CB 4.44Å; K145-V445 HydrophobicContact CB-CG1 3.63Å; K145-V445 HydrophobicContact CB-CG2 4.02Å; K145-V445 HydrophobicContact CD-CG1 4.18Å; K145-D448 WeakPolarHBondContact CD-OD2 3.45Å; K145-D448 IonicContact NZ-OD2 2.69Å; K145-D448 PolarHBondContact NZ-OD2 2.75Å; K145-M449 HydrophobicContact CD-CG 3.62Å; K145-M449 HydrophobicContact CD-SD 4.4Å; K145-D453 WeakPolarHBondContact CE-OD1 3.26Å; K145-D453 WeakPolarHBondContact CE-OD2 3.48Å; K145-D453 IonicContact NZ-OD1 2.65Å; K145-D453 PolarHBondContact NZ-OD1 2.9Å; K145-D453 IonicContact NZ-OD2 2.86Å; K145-D453 PolarHBondContact NZ-OD2 3.37Å
146	L	97.3	Very high	95.4	Very high	9 Å²	9	56.4 Å²	56.4	5%	0.047	29%	0.286	C	S	.	.			trans	-70.5	109.7	179.3	-78.7	171	0	0	0	112.3	L142 E441 L442 V445 R608 A611 E612	L142-L146 HydrophobicContact CD1-CD1 3.98Å; L142-L146 HydrophobicContact CD1-CD2 4.43Å; L142-L146 HydrophobicContact CD1-CG 4.06Å; L142-L146 HydrophobicContact CG-CD1 4.01Å; L142-L146 HydrophobicContact CG-CG 4.49Å; L142-L146 WeakPolarHBondContact O-CG 3.45Å; L142-L146 PolarHBondContact O-N 3.02Å; L142-L146 VanDerWaalsContact O-N 3.17Å; L146-E441 HydrophobicContact CD2-CG 3.94Å; L146-L442 HydrophobicContact CD2-CD2 4.39Å; L146-V445 HydrophobicContact CD2-CG2 4.34Å; L146-R608 HydrophobicContact CB-CG 4.08Å; L146-R608 PolarHBondContact O-NE 3.37Å; L146-A611 HydrophobicContact CD1-CB 4.4Å; L146-A611 HydrophobicContact CD2-CB 3.81Å; L146-E612 HydrophobicContact CD1-CB 3.7Å; L146-E612 HydrophobicContact CD1-CG 4.09Å
147	S	96.7	Very high	95.3	Very high	42 Å²	42	58.2 Å²	58.2	29%	0.294	28%	0.283	S	S	.	.			trans	-103.8	110	-170.1	-165.7	0	0	0	0	113.4	K145 K149 R150 L151 E441	K145-S147 PolarHBondContact O-N 3.48Å; S147-K149 PolarHBondContact O-N 3.25Å; S147-K149 VanDerWaalsContact O-N 3.12Å; S147-R150 PolarHBondContact O-N 2.94Å; S147-L151 PolarHBondContact O-N 2.94Å; S147-L151 VanDerWaalsContact O-N 3.14Å; S147-E441 WeakPolarHBondContact CA-OE1 3.35Å; S147-E441 VanDerWaalsContact CB-OE1 3.28Å; S147-E441 WeakPolarHBondContact CB-OE1 3.32Å; S147-E441 PolarHBondContact N-OE1 2.93Å
148	V	96	Very high	95.1	Very high	61 Å²	61	54 Å²	54	37%	0.37	26%	0.263	S	S	.	.	H	α-helix	trans	-47.5	-39.9	169.8	173.2	0	0	0	0	112.2	R150 L151 E152 R608	V148-R150 PolarHBondContact O-N 2.98Å; V148-L151 PolarHBondContact O-N 3.01Å; V148-E152 WeakPolarHBondContact O-CB 3.46Å; V148-E152 PolarHBondContact O-N 2.83Å; V148-R608 HydrophobicContact CG2-CB 4.23Å; V148-R608 HydrophobicContact CG2-CG 4.43Å
149	K	96.8	Very high	94.8	Very high	172 Å²	172	55.2 Å²	55.2	75%	0.748	27%	0.273	S	S	*	.	H	α-helix	trans	-67.9	-30.8	-178.6	-174.4	178.5	177.1	-177.2	0	113.2	S147 G153	S147-K149 PolarHBondContact O-N 3.25Å; S147-K149 VanDerWaalsContact O-N 3.12Å; K149-G153 PolarHBondContact O-N 3.5Å; K149-G153 VanDerWaalsContact O-N 3.13Å
150	R	95.8	Very high	94.3	Very high	110 Å²	110	58.6 Å²	58.6	42%	0.415	30%	0.303	S	S	.	.	H	α-helix	trans	-76.7	-49.2	174.9	-72.8	-178.1	169.2	-92.7	6.4	110.7	S147 V148 E152 G153 D154 E441	S147-R150 PolarHBondContact O-N 2.94Å; V148-R150 PolarHBondContact O-N 2.98Å; R150-E152 VanDerWaalsContact C-N 3.29Å; R150-E152 PolarHBondContact O-N 2.9Å; R150-G153 CarbonylContact O-C 3.51Å; R150-G153 WeakPolarHBondContact O-CA 3.45Å; R150-G153 PolarHBondContact O-N 2.8Å; R150-D154 PolarHBondContact O-N 2.74Å; R150-E441 WeakPolarHBondContact CD-OE2 3.26Å
151	L	96.7	Very high	94	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-53.5	-44.1	175.7	-66.1	166.7	0	0	0	112.3	S147 V148 L155 A437 I438 E441 I607 R608	S147-L151 PolarHBondContact O-N 2.94Å; S147-L151 VanDerWaalsContact O-N 3.14Å; V148-L151 PolarHBondContact O-N 3.01Å; L151-L155 WeakPolarHBondContact O-CB 3.38Å; L151-L155 PolarHBondContact O-N 2.98Å; L151-L155 VanDerWaalsContact O-N 3.15Å; L151-A437 WeakPolarHBondContact CD2-O 3.26Å; L151-I438 HydrophobicContact CD2-CG1 4.38Å; L151-E441 HydrophobicContact CD2-CB 3.61Å; L151-E441 HydrophobicContact CD2-CG 3.98Å; L151-E441 HydrophobicContact CG-CB 4.25Å; L151-E441 HydrophobicContact CG-CG 4.14Å; L151-I607 HydrophobicContact CB-CG2 4.16Å; L151-I607 HydrophobicContact CD1-CG2 4.17Å; L151-I607 HydrophobicContact CD2-CG2 4.01Å; L151-I607 HydrophobicContact CG-CG2 4.34Å; L151-R608 HydrophobicContact CD1-CB 3.96Å; L151-R608 HydrophobicContact CD1-CG 4.36Å
152	E	95.8	Very high	93.5	Very high	43 Å²	43	66.8 Å²	66.8	20%	0.201	33%	0.329	C	S	.	.	H	α-helix	trans	-65.4	-44.6	171.5	171.9	168.6	-139.9	0	0	112.4	V148 R150 D154 L155 R156 Y604	V148-E152 WeakPolarHBondContact O-CB 3.46Å; V148-E152 PolarHBondContact O-N 2.83Å; R150-E152 VanDerWaalsContact C-N 3.29Å; R150-E152 PolarHBondContact O-N 2.9Å; E152-D154 VanDerWaalsContact C-N 3.32Å; E152-D154 PolarHBondContact O-N 2.69Å; E152-L155 PolarHBondContact O-N 3.5Å; E152-R156 VanDerWaalsContact CD-CZ 3.48Å; E152-R156 VanDerWaalsContact CD-NE 3.27Å; E152-R156 HydrophobicContact CG-CG 4.16Å; E152-R156 VanDerWaalsContact CG-NE 3.25Å; E152-R156 WeakPolarHBondContact O-CB 3.47Å; E152-R156 WeakPolarHBondContact O-CG 3.25Å; E152-R156 PolarHBondContact O-N 3.33Å; E152-R156 IonicContact OE1-CZ 2.66Å; E152-R156 VanDerWaalsContact OE1-CZ 3.23Å; E152-R156 IonicContact OE1-NE 3.5Å; E152-R156 PolarHBondContact OE1-NE 2.94Å; E152-R156 IonicContact OE1-NH2 3.35Å; E152-R156 PolarHBondContact OE1-NH2 2.83Å; E152-R156 IonicContact OE2-CZ 3.3Å; E152-R156 IonicContact OE2-NE 2.73Å; E152-R156 IonicContact OE2-NH2 2.7Å; E152-R156 PolarHBondContact OE2-NH2 2.96Å; E152-Y604 HydrophobicContact CB-CD1 3.97Å; E152-Y604 HydrophobicContact CB-CE1 3.75Å; E152-Y604 HydrophobicContact CB-CE2 4.33Å; E152-Y604 HydrophobicContact CB-CG 4.38Å; E152-Y604 VanDerWaalsContact CD-CZ 3.47Å; E152-Y604 HydrophobicContact CG-CE1 3.85Å; E152-Y604 HydrophobicContact CG-CE2 4.09Å; E152-Y604 WeakPolarHBondContact CG-OH 3.41Å; E152-Y604 VanDerWaalsContact OE1-CE2 3.26Å; E152-Y604 WeakPolarHBondContact OE1-CE2 3.47Å; E152-Y604 PolarHBondContact OE1-OH 3.43Å
153	G	94.9	Very high	93.2	Very high	34 Å²	34	68.4 Å²	68.4	35%	0.351	34%	0.341	S	S	.	.	H	α-helix	trans	-58.8	-41.2	-179.2	0	0	0	0	0	113.4	K149 R150	K149-G153 PolarHBondContact O-N 3.5Å; K149-G153 VanDerWaalsContact O-N 3.13Å; R150-G153 CarbonylContact O-C 3.51Å; R150-G153 WeakPolarHBondContact O-CA 3.45Å; R150-G153 PolarHBondContact O-N 2.8Å
154	D	94.6	Very high	93.3	Very high	24 Å²	24	67.3 Å²	67.3	13%	0.128	33%	0.333	C	S	.	.	H	α-helix	trans	-79.6	-38.1	-179.1	-65.2	-38.2	0	0	0	112.1	R150 E152 R156 R157 Y177 A437 L440	R150-D154 PolarHBondContact O-N 2.74Å; E152-D154 VanDerWaalsContact C-N 3.32Å; E152-D154 PolarHBondContact O-N 2.69Å; D154-R156 VanDerWaalsContact C-N 3.29Å; D154-R156 PolarHBondContact O-N 3.13Å; D154-R157 VanDerWaalsContact O-CB 3.25Å; D154-R157 WeakPolarHBondContact O-CB 3.36Å; D154-R157 WeakPolarHBondContact O-CG 3.41Å; D154-R157 PolarHBondContact O-N 2.71Å; D154-R157 VanDerWaalsContact O-N 3.08Å; D154-R157 IonicContact OD1-NE 3.14Å; D154-R157 PolarHBondContact OD1-NE 2.64Å; D154-R157 VanDerWaalsContact OD1-NE 3.15Å; D154-Y177 PolarHBondContact OD1-OH 3.11Å; D154-Y177 VanDerWaalsContact OD1-OH 3.12Å; D154-A437 HydrophobicContact CB-CB 4.21Å; D154-L440 HydrophobicContact CB-CD1 4.3Å
155	L	94.8	Very high	93.3	Very high	1 Å²	1	62 Å²	62	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-60.2	-39.1	170.7	-178.3	62.9	0	0	0	111.9	L151 E152 R157 R158 A429 V434 A437 V594 L597 L603 Y604 I607	L151-L155 WeakPolarHBondContact O-CB 3.38Å; L151-L155 PolarHBondContact O-N 2.98Å; L151-L155 VanDerWaalsContact O-N 3.15Å; E152-L155 PolarHBondContact O-N 3.5Å; L155-R157 PolarHBondContact O-N 2.87Å; L155-R157 VanDerWaalsContact O-N 3.09Å; L155-R158 PolarHBondContact O-N 3.08Å; L155-R158 VanDerWaalsContact O-N 3.14Å; L155-A429 HydrophobicContact CD1-CB 4.49Å; L155-V434 HydrophobicContact CD1-CG2 4.45Å; L155-A437 HydrophobicContact CB-CB 4.49Å; L155-V594 HydrophobicContact CD2-CG1 4.41Å; L155-V594 HydrophobicContact CG-CG1 4.22Å; L155-V594 HydrophobicContact CG-CG2 4.38Å; L155-L597 HydrophobicContact CD2-CD2 4.15Å; L155-L603 HydrophobicContact CD2-CD2 4.42Å; L155-Y604 HydrophobicContact CD2-CE1 4.17Å; L155-I607 HydrophobicContact CD2-CD1 4.02Å
156	R	93.3	Very high	93.2	Very high	134 Å²	134	60.1 Å²	60.1	51%	0.506	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-60.3	-16.3	175.8	-77.9	171.9	178.9	-159.3	8.8	113.6	E152 D154 R158 A159	E152-R156 VanDerWaalsContact CD-CZ 3.48Å; E152-R156 VanDerWaalsContact CD-NE 3.27Å; E152-R156 HydrophobicContact CG-CG 4.16Å; E152-R156 VanDerWaalsContact CG-NE 3.25Å; E152-R156 WeakPolarHBondContact O-CB 3.47Å; E152-R156 WeakPolarHBondContact O-CG 3.25Å; E152-R156 PolarHBondContact O-N 3.33Å; E152-R156 IonicContact OE1-CZ 2.66Å; E152-R156 VanDerWaalsContact OE1-CZ 3.23Å; E152-R156 IonicContact OE1-NE 3.5Å; E152-R156 PolarHBondContact OE1-NE 2.94Å; E152-R156 IonicContact OE1-NH2 3.35Å; E152-R156 PolarHBondContact OE1-NH2 2.83Å; E152-R156 IonicContact OE2-CZ 3.3Å; E152-R156 IonicContact OE2-NE 2.73Å; E152-R156 IonicContact OE2-NH2 2.7Å; E152-R156 PolarHBondContact OE2-NH2 2.96Å; D154-R156 VanDerWaalsContact C-N 3.29Å; D154-R156 PolarHBondContact O-N 3.13Å; R156-R158 PolarHBondContact O-N 3.09Å; R156-A159 VanDerWaalsContact O-CB 3.27Å; R156-A159 WeakPolarHBondContact O-CB 3.19Å; R156-A159 PolarHBondContact O-N 3.34Å; R156-A159 VanDerWaalsContact O-N 3.11Å
157	R	90	Very high	93	Very high	114 Å²	114	60.7 Å²	60.7	43%	0.43	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-66.2	-23.4	174.9	-63	174.5	172.5	-84.9	-1.1	113.4	D154 L155 M174 Y177	D154-R157 VanDerWaalsContact O-CB 3.25Å; D154-R157 WeakPolarHBondContact O-CB 3.36Å; D154-R157 WeakPolarHBondContact O-CG 3.41Å; D154-R157 PolarHBondContact O-N 2.71Å; D154-R157 VanDerWaalsContact O-N 3.08Å; D154-R157 IonicContact OD1-NE 3.14Å; D154-R157 PolarHBondContact OD1-NE 2.64Å; D154-R157 VanDerWaalsContact OD1-NE 3.15Å; L155-R157 PolarHBondContact O-N 2.87Å; L155-R157 VanDerWaalsContact O-N 3.09Å; R157-M174 HydrophobicContact CB-CE 4.36Å; R157-Y177 VanDerWaalsContact NE-CE1 3.32Å; R157-Y177 PolarHBondContact NE-OH 3.31Å; R157-Y177 VanDerWaalsContact NH2-CZ 3.31Å; R157-Y177 PolarHBondContact NH2-OH 2.56Å
158	R	91.3	Very high	92.9	Very high	6 Å²	6	61.8 Å²	61.8	2%	0.023	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-83.5	-14.5	173.1	-74.6	178.6	147.4	-95.6	1.8	113.4	L155 R156 R161 F164 M174 R422 S424 P427 G428 V594	L155-R158 PolarHBondContact O-N 3.08Å; L155-R158 VanDerWaalsContact O-N 3.14Å; R156-R158 PolarHBondContact O-N 3.09Å; R158-R161 PolarHBondContact O-N 2.92Å; R158-F164 HydrophobicContact CB-CE2 4.06Å; R158-F164 HydrophobicContact CB-CZ 4.3Å; R158-F164 HydrophobicContact CG-CD2 4.42Å; R158-F164 HydrophobicContact CG-CE2 3.64Å; R158-F164 HydrophobicContact CG-CZ 3.71Å; R158-M174 HydrophobicContact CG-CE 4.29Å; R158-R422 PolarHBondContact NH2-O 3.13Å; R158-S424 PolarHBondContact NH1-OG 2.8Å; R158-S424 PolarHBondContact NH2-OG 2.77Å; R158-S424 VanDerWaalsContact NH2-OG 3.08Å; R158-P427 VanDerWaalsContact NH1-C 3.28Å; R158-P427 PolarHBondContact NH1-O 3.19Å; R158-G428 VanDerWaalsContact NH1-CA 3.3Å; R158-G428 PolarHBondContact NH1-O 2.84Å; R158-V594 HydrophobicContact CB-CG2 4.34Å
159	A	88.7	Confident	92.8	Very high	25 Å²	25	62.6 Å²	62.6	21%	0.207	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	148.4	174	0	0	0	0	0	110.9	R156 R161 V594	R156-A159 VanDerWaalsContact O-CB 3.27Å; R156-A159 WeakPolarHBondContact O-CB 3.19Å; R156-A159 PolarHBondContact O-N 3.34Å; R156-A159 VanDerWaalsContact O-N 3.11Å; A159-R161 PolarHBondContact O-N 3.34Å; A159-V594 HydrophobicContact CB-CB 4.3Å; A159-V594 HydrophobicContact CB-CG2 4.15Å
160	S	82.8	Confident	92.8	Very high	121 Å²	121	56.6 Å²	56.6	85%	0.846	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.5	-8.9	-173.7	75.3	0	0	0	0	117.6
161	R	88.6	Confident	92.8	Very high	113 Å²	113	51.4 Å²	51.4	43%	0.426	27%	0.27	S	S	.	.			trans	-84	143.9	174.3	-60.9	-69.2	174.6	166.3	0.2	110.2	R158 A159 F164 E170	R158-R161 PolarHBondContact O-N 2.92Å; A159-R161 PolarHBondContact O-N 3.34Å; R161-F164 HydrophobicContact CB-CE2 3.55Å; R161-F164 HydrophobicContact CB-CZ 3.57Å; R161-F164 HydrophobicContact CG-CE2 4.23Å; R161-F164 HydrophobicContact CG-CZ 3.72Å; R161-E170 WeakPolarHBondContact CD-OE1 3.12Å; R161-E170 IonicContact CZ-OE1 2.7Å; R161-E170 IonicContact CZ-OE2 2.82Å; R161-E170 IonicContact NE-OE1 3.15Å; R161-E170 VanDerWaalsContact NH1-CD 3.29Å; R161-E170 IonicContact NH1-OE1 2.72Å; R161-E170 PolarHBondContact NH1-OE1 3.37Å; R161-E170 IonicContact NH1-OE2 3.86Å; R161-E170 PolarHBondContact NH1-OE2 2.97Å; R161-E170 VanDerWaalsContact NH1-OE2 3.09Å
162	K	85.6	Confident	92.8	Very high	184 Å²	184	54.9 Å²	54.9	80%	0.8	29%	0.286	S	S	*	.			trans	-93	-32.1	-173.1	-69.3	-171.6	178.1	-176.5	0	114.4	G426	K162-G426 CarbonylContact O-C 3.59Å; K162-G426 VanDerWaalsContact O-CA 3.22Å; K162-G426 WeakPolarHBondContact O-CA 3.33Å
163	S	91.5	Very high	92.8	Very high	35 Å²	35	57 Å²	57	25%	0.245	30%	0.299	C	S	.	.			trans	-160.9	153.8	-179.1	-166	0	0	0	0	109.9	E165 E170 S424 G426	S163-E165 PolarHBondContact OG-N 2.74Å; S163-E170 WeakPolarHBondContact O-CB 3.49Å; S163-S424 PolarHBondContact OG-O 3.2Å; S163-G426 WeakPolarHBondContact CA-O 3.47Å; S163-G426 PolarHBondContact OG-N 3.1Å
164	F	95.1	Very high	92.9	Very high	4 Å²	4	56.2 Å²	56.2	2%	0.018	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-127.6	35.4	170.4	-66.6	-94.2	0	0	0	109.8	R158 R161 A166 E170 M174 D423 S424	R158-F164 HydrophobicContact CB-CE2 4.06Å; R158-F164 HydrophobicContact CB-CZ 4.3Å; R158-F164 HydrophobicContact CG-CD2 4.42Å; R158-F164 HydrophobicContact CG-CE2 3.64Å; R158-F164 HydrophobicContact CG-CZ 3.71Å; R161-F164 HydrophobicContact CB-CE2 3.55Å; R161-F164 HydrophobicContact CB-CZ 3.57Å; R161-F164 HydrophobicContact CG-CE2 4.23Å; R161-F164 HydrophobicContact CG-CZ 3.72Å; F164-A166 PolarHBondContact O-N 2.88Å; F164-E170 HydrophobicContact CD1-CB 3.81Å; F164-E170 WeakPolarHBondContact CD1-O 3.37Å; F164-E170 HydrophobicContact CE1-CB 4.07Å; F164-E170 HydrophobicContact CG-CB 4.43Å; F164-M174 HydrophobicContact CD1-CB 4.48Å; F164-M174 HydrophobicContact CD1-CE 4.45Å; F164-M174 HydrophobicContact CE1-CB 4.48Å; F164-M174 HydrophobicContact CE1-CE 3.6Å; F164-M174 HydrophobicContact CZ-CE 4Å; F164-D423 CarbonylContact O-C 3.34Å; F164-D423 VanDerWaalsContact O-CA 3.24Å; F164-D423 WeakPolarHBondContact O-CA 3.36Å; F164-D423 WeakPolarHBondContact O-CB 3.36Å; F164-S424 CarbonylContact C-O 3.6Å; F164-S424 WeakPolarHBondContact CA-O 3.35Å; F164-S424 PolarHBondContact N-O 3.23Å; F164-S424 PolarHBondContact O-N 2.96Å
165	E	95.3	Very high	93	Very high	29 Å²	29	55.1 Å²	55.1	14%	0.136	28%	0.28	C	S	.	.			trans	-55.6	136.4	-178.7	-174.7	174.2	-122.7	0	0	110.9	S163 G167 L168 Y226 S424 Y471	S163-E165 PolarHBondContact OG-N 2.74Å; E165-G167 PolarHBondContact O-N 3.33Å; E165-L168 HydrophobicContact CB-CD1 3.92Å; E165-L168 HydrophobicContact CB-CG 4.33Å; E165-L168 HydrophobicContact CG-CD1 4.44Å; E165-L168 VanDerWaalsContact O-CB 3.31Å; E165-L168 WeakPolarHBondContact O-CB 3.48Å; E165-L168 WeakPolarHBondContact O-CG 3.47Å; E165-L168 PolarHBondContact O-N 3.08Å; E165-L168 VanDerWaalsContact O-N 3.12Å; E165-Y226 PolarHBondContact OE1-OH 3.46Å; E165-S424 PolarHBondContact N-O 2.84Å; E165-S424 VanDerWaalsContact N-O 3.09Å; E165-Y471 HydrophobicContact CG-CE2 4.4Å; E165-Y471 WeakPolarHBondContact CG-OH 3.29Å; E165-Y471 PolarHBondContact OE1-OH 2.96Å; E165-Y471 VanDerWaalsContact OE1-OH 3.13Å
166	A	95.8	Very high	93.2	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.008	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	134.5	-162.6	0	0	0	0	0	114.1	F164 L168 L199 I399 D423 A468 Y471	F164-A166 PolarHBondContact O-N 2.88Å; A166-L168 PolarHBondContact O-N 3.42Å; A166-L199 HydrophobicContact CB-CD1 4.01Å; A166-I399 HydrophobicContact CB-CG2 4.35Å; A166-D423 HydrophobicContact CB-CB 3.96Å; A166-A468 HydrophobicContact CB-CB 3.69Å; A166-Y471 HydrophobicContact CB-CD2 4.27Å; A166-Y471 HydrophobicContact CB-CE2 4.16Å
167	G	93	Very high	93.4	Very high	22 Å²	22	52.9 Å²	52.9	23%	0.227	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	68	16.1	-177.9	0	0	0	0	0	114.7	E165 D171 K398	E165-G167 PolarHBondContact O-N 3.33Å; G167-D171 PolarHBondContact N-OD2 3.03Å; G167-K398 WeakPolarHBondContact CA-O 3.3Å
168	L	94.6	Very high	93.8	Very high	64 Å²	64	47.5 Å²	47.5	34%	0.335	26%	0.255	S	S	.	.	S	Bend	trans	-92.8	168.3	162.8	-58.3	-169.1	0	0	0	111.2	E165 A166 E170 D171 E172	E165-L168 HydrophobicContact CB-CD1 3.92Å; E165-L168 HydrophobicContact CB-CG 4.33Å; E165-L168 HydrophobicContact CG-CD1 4.44Å; E165-L168 VanDerWaalsContact O-CB 3.31Å; E165-L168 WeakPolarHBondContact O-CB 3.48Å; E165-L168 WeakPolarHBondContact O-CG 3.47Å; E165-L168 PolarHBondContact O-N 3.08Å; E165-L168 VanDerWaalsContact O-N 3.12Å; A166-L168 PolarHBondContact O-N 3.42Å; L168-E170 VanDerWaalsContact C-N 3.3Å; L168-E170 PolarHBondContact O-N 3.2Å; L168-D171 WeakPolarHBondContact O-CB 3.42Å; L168-D171 PolarHBondContact O-N 3.12Å; L168-D171 VanDerWaalsContact O-N 3.08Å; L168-E172 PolarHBondContact O-N 3.02Å
169	S	94.7	Very high	94.2	Very high	79 Å²	79	49 Å²	49	55%	0.552	26%	0.263	S	S	*	.	H	α-helix	trans	-58.1	-33.3	-173.9	52.2	0	0	0	0	114.7	N173	S169-N173 VanDerWaalsContact O-CB 3.22Å; S169-N173 WeakPolarHBondContact O-CB 3.39Å; S169-N173 PolarHBondContact O-N 3.48Å; S169-N173 PolarHBondContact O-ND2 3.09Å; S169-N173 VanDerWaalsContact O-ND2 3.11Å; S169-N173 PolarHBondContact O-OD1 2.7Å
170	E	95.3	Very high	94.6	Very high	45 Å²	45	53.2 Å²	53.2	21%	0.21	28%	0.278	C	S	.	.	H	α-helix	trans	-74.7	-30.9	178.4	-59	-72.5	-155.6	0	0	112.6	R161 S163 F164 L168 N173 M174	R161-E170 WeakPolarHBondContact CD-OE1 3.12Å; R161-E170 IonicContact CZ-OE1 2.7Å; R161-E170 IonicContact CZ-OE2 2.82Å; R161-E170 IonicContact NE-OE1 3.15Å; R161-E170 VanDerWaalsContact NH1-CD 3.29Å; R161-E170 IonicContact NH1-OE1 2.72Å; R161-E170 PolarHBondContact NH1-OE1 3.37Å; R161-E170 IonicContact NH1-OE2 3.86Å; R161-E170 PolarHBondContact NH1-OE2 2.97Å; R161-E170 VanDerWaalsContact NH1-OE2 3.09Å; S163-E170 WeakPolarHBondContact O-CB 3.49Å; F164-E170 HydrophobicContact CD1-CB 3.81Å; F164-E170 WeakPolarHBondContact CD1-O 3.37Å; F164-E170 HydrophobicContact CE1-CB 4.07Å; F164-E170 HydrophobicContact CG-CB 4.43Å; L168-E170 VanDerWaalsContact C-N 3.3Å; L168-E170 PolarHBondContact O-N 3.2Å; E170-N173 PolarHBondContact OE2-ND2 3.07Å; E170-M174 WeakPolarHBondContact O-CB 3.18Å; E170-M174 PolarHBondContact O-N 3.38Å; E170-M174 VanDerWaalsContact O-N 3.08Å
171	D	96.5	Very high	95.4	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.011	25%	0.246	C	C	.	.	H	α-helix	trans	-68.7	-45.9	170.7	177.7	32.8	0	0	0	110.6	G167 L168 M174 A175 R422 S467	G167-D171 PolarHBondContact N-OD2 3.03Å; L168-D171 WeakPolarHBondContact O-CB 3.42Å; L168-D171 PolarHBondContact O-N 3.12Å; L168-D171 VanDerWaalsContact O-N 3.08Å; D171-M174 PolarHBondContact O-N 3.01Å; D171-A175 PolarHBondContact O-N 2.88Å; D171-R422 PolarHBondContact O-NE 3.01Å; D171-R422 IonicContact OD1-CZ 3.89Å; D171-R422 IonicContact OD1-NE 3.69Å; D171-R422 PolarHBondContact OD1-NE 2.88Å; D171-R422 IonicContact OD1-NH2 2.69Å; D171-R422 PolarHBondContact OD1-NH2 3.15Å; D171-R422 IonicContact OD2-NH2 3.09Å; D171-S467 PolarHBondContact OD2-OG 3.36Å
172	E	96.4	Very high	95.9	Very high	73 Å²	73	43.9 Å²	43.9	34%	0.341	23%	0.226	S	C	.	.	H	α-helix	trans	-63.8	-41.6	176.1	-175.2	160	-130.7	0	0	112.3	L168 M174 A175 I176 K398 L400	L168-E172 PolarHBondContact O-N 3.02Å; E172-M174 VanDerWaalsContact C-N 3.33Å; E172-M174 PolarHBondContact O-N 3.34Å; E172-A175 WeakPolarHBondContact O-CB 3.45Å; E172-A175 PolarHBondContact O-N 3.24Å; E172-I176 HydrophobicContact CG-CD1 4.1Å; E172-I176 VanDerWaalsContact O-CG1 3.31Å; E172-I176 WeakPolarHBondContact O-CG1 3.15Å; E172-I176 PolarHBondContact O-N 3.26Å; E172-K398 WeakPolarHBondContact OE1-CE 3.42Å; E172-K398 IonicContact OE1-NZ 2.68Å; E172-K398 PolarHBondContact OE1-NZ 2.96Å; E172-L400 HydrophobicContact CG-CD1 3.96Å
173	N	96.3	Very high	96.5	Very high	88 Å²	88	39 Å²	39	47%	0.471	21%	0.209	S	C	.	.	H	α-helix	trans	-58.5	-42.7	172.1	-74.3	-24.7	0	0	0	111.9	S169 E170 Y177	S169-N173 VanDerWaalsContact O-CB 3.22Å; S169-N173 WeakPolarHBondContact O-CB 3.39Å; S169-N173 PolarHBondContact O-N 3.48Å; S169-N173 PolarHBondContact O-ND2 3.09Å; S169-N173 VanDerWaalsContact O-ND2 3.11Å; S169-N173 PolarHBondContact O-OD1 2.7Å; E170-N173 PolarHBondContact OE2-ND2 3.07Å; N173-Y177 WeakPolarHBondContact O-CB 3.37Å; N173-Y177 PolarHBondContact O-N 2.97Å
174	M	96.6	Very high	96.8	Very high	17 Å²	17	41 Å²	41	8%	0.084	22%	0.223	C	C	.	.	H	α-helix	trans	-70.8	-34.8	178.4	-167.9	64.8	69.6	0	0	111.5	R157 R158 F164 E170 D171 E172 Y177 I178 R422	R157-M174 HydrophobicContact CB-CE 4.36Å; R158-M174 HydrophobicContact CG-CE 4.29Å; F164-M174 HydrophobicContact CD1-CB 4.48Å; F164-M174 HydrophobicContact CD1-CE 4.45Å; F164-M174 HydrophobicContact CE1-CB 4.48Å; F164-M174 HydrophobicContact CE1-CE 3.6Å; F164-M174 HydrophobicContact CZ-CE 4Å; E170-M174 WeakPolarHBondContact O-CB 3.18Å; E170-M174 PolarHBondContact O-N 3.38Å; E170-M174 VanDerWaalsContact O-N 3.08Å; D171-M174 PolarHBondContact O-N 3.01Å; E172-M174 VanDerWaalsContact C-N 3.33Å; E172-M174 PolarHBondContact O-N 3.34Å; M174-Y177 PolarHBondContact O-N 3.47Å; M174-Y177 HydrophobicContact SD-CD1 3.92Å; M174-I178 HydrophobicContact CG-CD1 4.16Å; M174-I178 VanDerWaalsContact O-CG1 3.31Å; M174-I178 WeakPolarHBondContact O-CG1 3.29Å; M174-I178 PolarHBondContact O-N 3.25Å; M174-R422 HydrophobicContact CB-CG 4.1Å; M174-R422 HydrophobicContact CG-CG 3.6Å
175	A	98	Very high	96.9	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-60.8	-49.1	172.9	0	0	0	0	0	111.3	D171 E172 Y177 I178 H179 L400 V402	D171-A175 PolarHBondContact O-N 2.88Å; E172-A175 WeakPolarHBondContact O-CB 3.45Å; E172-A175 PolarHBondContact O-N 3.24Å; A175-Y177 PolarHBondContact O-N 3.47Å; A175-I178 PolarHBondContact O-N 3.27Å; A175-H179 WeakPolarHBondContact O-CB 3.48Å; A175-H179 PolarHBondContact O-N 2.6Å; A175-L400 HydrophobicContact CB-CB 4.07Å; A175-L400 HydrophobicContact CB-CD1 4.12Å; A175-V402 HydrophobicContact CB-CG2 3.79Å
176	I	98.2	Very high	97	Very high	64 Å²	64	43 Å²	43	33%	0.328	24%	0.241	S	C	.	.	H	α-helix	trans	-60.1	-46.3	177.1	-67.1	163	0	0	0	110.4	E172 I178 H179 E180 Y192	E172-I176 HydrophobicContact CG-CD1 4.1Å; E172-I176 VanDerWaalsContact O-CG1 3.31Å; E172-I176 WeakPolarHBondContact O-CG1 3.15Å; E172-I176 PolarHBondContact O-N 3.26Å; I176-I178 PolarHBondContact O-N 3.09Å; I176-H179 WeakPolarHBondContact O-CB 3.49Å; I176-H179 PolarHBondContact O-N 2.95Å; I176-E180 WeakPolarHBondContact O-CG 3.23Å; I176-E180 PolarHBondContact O-N 2.85Å; I176-Y192 WeakPolarHBondContact CA-OH 3.31Å
177	Y	97.8	Very high	97.1	Very high	25 Å²	25	43.6 Å²	43.6	10%	0.098	24%	0.244	C	C	.	.	H	α-helix	trans	-58.7	-46.9	176.9	172	-113.2	0	0	0	112.6	D154 R157 N173 M174 A175 H179 E180 Q181 L440	D154-Y177 PolarHBondContact OD1-OH 3.11Å; D154-Y177 VanDerWaalsContact OD1-OH 3.12Å; R157-Y177 VanDerWaalsContact NE-CE1 3.32Å; R157-Y177 PolarHBondContact NE-OH 3.31Å; R157-Y177 VanDerWaalsContact NH2-CZ 3.31Å; R157-Y177 PolarHBondContact NH2-OH 2.56Å; N173-Y177 WeakPolarHBondContact O-CB 3.37Å; N173-Y177 PolarHBondContact O-N 2.97Å; M174-Y177 PolarHBondContact O-N 3.47Å; M174-Y177 HydrophobicContact SD-CD1 3.92Å; A175-Y177 PolarHBondContact O-N 3.47Å; Y177-H179 VanDerWaalsContact C-N 3.33Å; Y177-H179 PolarHBondContact O-N 3.09Å; Y177-E180 PolarHBondContact O-N 3.19Å; Y177-Q181 HydrophobicContact CD1-CG 4.47Å; Y177-Q181 HydrophobicContact CD2-CG 4.05Å; Y177-Q181 HydrophobicContact CE1-CG 3.86Å; Y177-Q181 HydrophobicContact CE2-CG 3.35Å; Y177-Q181 WeakPolarHBondContact O-CG 3.44Å; Y177-Q181 PolarHBondContact O-N 2.82Å; Y177-Q181 VanDerWaalsContact OH-CG 3.23Å; Y177-Q181 WeakPolarHBondContact OH-CG 3.14Å; Y177-Q181 PolarHBondContact OH-OE1 3.05Å; Y177-L440 HydrophobicContact CE1-CD1 3.89Å
178	I	98.5	Very high	97.3	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63.8	-40.5	178.6	-68.1	167.4	0	0	0	111	M174 A175 I176 Q181 F182 V402 R422 T436 L440 S465	M174-I178 HydrophobicContact CG-CD1 4.16Å; M174-I178 VanDerWaalsContact O-CG1 3.31Å; M174-I178 WeakPolarHBondContact O-CG1 3.29Å; M174-I178 PolarHBondContact O-N 3.25Å; A175-I178 PolarHBondContact O-N 3.27Å; I176-I178 PolarHBondContact O-N 3.09Å; I178-Q181 PolarHBondContact O-N 2.69Å; I178-F182 HydrophobicContact CG2-CD1 4.33Å; I178-F182 HydrophobicContact CG2-CD2 4.16Å; I178-F182 HydrophobicContact CG2-CE1 4Å; I178-F182 HydrophobicContact CG2-CE2 3.82Å; I178-F182 HydrophobicContact CG2-CG 4.41Å; I178-F182 HydrophobicContact CG2-CZ 3.73Å; I178-F182 WeakPolarHBondContact O-CB 3.15Å; I178-F182 WeakPolarHBondContact O-CG 3.26Å; I178-F182 PolarHBondContact O-N 3.37Å; I178-V402 HydrophobicContact CG2-CB 4.38Å; I178-V402 HydrophobicContact CG2-CG1 4.11Å; I178-R422 HydrophobicContact CD1-CG 3.98Å; I178-T436 HydrophobicContact CD1-CG2 3.7Å; I178-T436 HydrophobicContact CG1-CG2 4.35Å; I178-L440 HydrophobicContact CB-CD2 4.46Å; I178-L440 HydrophobicContact CG1-CD1 4.41Å; I178-L440 HydrophobicContact CG1-CD2 4.21Å; I178-L440 HydrophobicContact CG2-CD2 4.18Å; I178-S465 WeakPolarHBondContact CD1-OG 3.24Å
179	H	98.6	Very high	97.4	Very high	39 Å²	39	46.2 Å²	46.2	18%	0.181	25%	0.25	C	S	.	.	H	α-helix	trans	-61.1	-44.2	175	-177.8	-84	0	0	0	111.6	A175 I176 Y177 F182 N183 Y192 V402	A175-H179 WeakPolarHBondContact O-CB 3.48Å; A175-H179 PolarHBondContact O-N 2.6Å; I176-H179 WeakPolarHBondContact O-CB 3.49Å; I176-H179 PolarHBondContact O-N 2.95Å; Y177-H179 VanDerWaalsContact C-N 3.33Å; Y177-H179 PolarHBondContact O-N 3.09Å; H179-F182 PolarHBondContact O-N 3.11Å; H179-N183 PolarHBondContact CE1-ND2 3.01Å; H179-N183 PolarHBondContact ND1-ND2 3.06Å; H179-N183 PolarHBondContact O-N 2.87Å; H179-N183 PolarHBondContact O-ND2 2.82Å; H179-Y192 HydrophobicContact CB-CE1 3.85Å; H179-Y192 HydrophobicContact CB-CE2 4.45Å; H179-Y192 VanDerWaalsContact CB-OH 3.31Å; H179-Y192 WeakPolarHBondContact CB-OH 3.31Å; H179-Y192 AromaticContact CD2-CD2 3.88Å; H179-Y192 AromaticContact CD2-CE1 3.93Å; H179-Y192 AromaticContact CD2-CE2 3.49Å; H179-Y192 VanDerWaalsContact CD2-CE2 3.49Å; H179-Y192 WeakPolarHBondContact CD2-CE2 3.42Å; H179-Y192 AromaticContact CD2-CZ 3.52Å; H179-Y192 AromaticContact CE1-CE2 3.98Å; H179-Y192 AromaticContact CG-CE2 3.78Å; H179-Y192 AromaticContact CG-CZ 3.45Å; H179-Y192 VanDerWaalsContact CG-CZ 3.45Å; H179-Y192 AromaticContact NE2-CE2 3.66Å; H179-V402 HydrophobicContact CB-CG1 3.79Å
180	E	98.4	Very high	97.6	Very high	112 Å²	112	43.6 Å²	43.6	52%	0.523	23%	0.231	S	C	.	.	H	α-helix	trans	-61.7	-41.1	173	-72.5	177.4	172.2	0	0	112.2	I176 Y177 N183 S184	I176-E180 WeakPolarHBondContact O-CG 3.23Å; I176-E180 PolarHBondContact O-N 2.85Å; Y177-E180 PolarHBondContact O-N 3.19Å; E180-N183 PolarHBondContact O-N 3.14Å; E180-S184 WeakPolarHBondContact O-CB 3.39Å; E180-S184 PolarHBondContact O-N 3.43Å
181	Q	98.4	Very high	97.7	Very high	39 Å²	39	42.4 Å²	42.4	18%	0.182	22%	0.224	C	C	.	.	H	α-helix	trans	-64.9	-46.9	176.6	-66.5	-47.9	-107.4	0	0	112.3	Y177 I178 N183 S184 F185 L440	Y177-Q181 HydrophobicContact CD1-CG 4.47Å; Y177-Q181 HydrophobicContact CD2-CG 4.05Å; Y177-Q181 HydrophobicContact CE1-CG 3.86Å; Y177-Q181 HydrophobicContact CE2-CG 3.35Å; Y177-Q181 WeakPolarHBondContact O-CG 3.44Å; Y177-Q181 PolarHBondContact O-N 2.82Å; Y177-Q181 VanDerWaalsContact OH-CG 3.23Å; Y177-Q181 WeakPolarHBondContact OH-CG 3.14Å; Y177-Q181 PolarHBondContact OH-OE1 3.05Å; I178-Q181 PolarHBondContact O-N 2.69Å; Q181-N183 VanDerWaalsContact C-N 3.27Å; Q181-N183 PolarHBondContact O-N 2.82Å; Q181-S184 WeakPolarHBondContact CA-OG 3.35Å; Q181-S184 CarbonylContact O-C 3.59Å; Q181-S184 WeakPolarHBondContact O-CA 3.24Å; Q181-S184 WeakPolarHBondContact O-CB 3.15Å; Q181-S184 PolarHBondContact O-N 3.37Å; Q181-S184 PolarHBondContact O-OG 2.9Å; Q181-F185 HydrophobicContact CB-CE1 4.32Å; Q181-F185 HydrophobicContact CB-CE2 3.94Å; Q181-F185 HydrophobicContact CB-CZ 3.74Å; Q181-F185 HydrophobicContact CG-CZ 4.4Å; Q181-F185 VanDerWaalsContact O-CD1 3.31Å; Q181-F185 WeakPolarHBondContact O-CD1 3.24Å; Q181-F185 WeakPolarHBondContact O-CD2 3.49Å; Q181-F185 WeakPolarHBondContact O-CG 3.28Å; Q181-F185 PolarHBondContact O-N 2.91Å; Q181-L440 HydrophobicContact CB-CD2 3.64Å; Q181-L440 HydrophobicContact CG-CD2 4Å
182	F	98.7	Very high	97.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-57.7	-39	176	-75.7	-1.9	0	0	0	112.1	I178 H179 F185 A186 L187 V190 V402 L439 L440 A443 F463	I178-F182 HydrophobicContact CG2-CD1 4.33Å; I178-F182 HydrophobicContact CG2-CD2 4.16Å; I178-F182 HydrophobicContact CG2-CE1 4Å; I178-F182 HydrophobicContact CG2-CE2 3.82Å; I178-F182 HydrophobicContact CG2-CG 4.41Å; I178-F182 HydrophobicContact CG2-CZ 3.73Å; I178-F182 WeakPolarHBondContact O-CB 3.15Å; I178-F182 WeakPolarHBondContact O-CG 3.26Å; I178-F182 PolarHBondContact O-N 3.37Å; H179-F182 PolarHBondContact O-N 3.11Å; F182-F185 HydrophobicContact CD1-CD2 4.29Å; F182-F185 HydrophobicContact CD1-CE2 4.4Å; F182-F185 PolarHBondContact O-N 3.32Å; F182-A186 PolarHBondContact O-N 3.27Å; F182-L187 HydrophobicContact CB-CD1 3.81Å; F182-L187 HydrophobicContact CD1-CD1 4.04Å; F182-L187 HydrophobicContact CD2-CD1 4.34Å; F182-L187 HydrophobicContact CG-CD1 3.82Å; F182-L187 WeakPolarHBondContact O-CG 3.1Å; F182-L187 PolarHBondContact O-N 3.06Å; F182-V190 HydrophobicContact CB-CB 4.46Å; F182-V190 HydrophobicContact CB-CG1 3.69Å; F182-V190 HydrophobicContact CB-CG2 3.82Å; F182-V190 HydrophobicContact CD2-CG1 4.25Å; F182-V402 HydrophobicContact CD2-CG1 4.19Å; F182-V402 HydrophobicContact CE2-CG1 4.36Å; F182-L439 HydrophobicContact CZ-CD2 4.1Å; F182-L439 HydrophobicContact CZ-CG 4.28Å; F182-L440 HydrophobicContact CD1-CD2 4.31Å; F182-L440 HydrophobicContact CE1-CD2 4.07Å; F182-A443 HydrophobicContact CD1-CB 3.97Å; F182-A443 HydrophobicContact CE1-CB 3.62Å; F182-F463 HydrophobicContact CE1-CB 4.34Å; F182-F463 HydrophobicContact CE2-CB 4.11Å; F182-F463 HydrophobicContact CZ-CB 3.7Å
183	N	98.2	Very high	97.7	Very high	82 Å²	82	42.6 Å²	42.6	44%	0.439	22%	0.223	S	C	.	.	H	α-helix	trans	-68.2	-39.2	171.7	-78.3	-81.8	0	0	0	112.1	H179 E180 Q181 F185 A186 V190	H179-N183 PolarHBondContact CE1-ND2 3.01Å; H179-N183 PolarHBondContact ND1-ND2 3.06Å; H179-N183 PolarHBondContact O-N 2.87Å; H179-N183 PolarHBondContact O-ND2 2.82Å; E180-N183 PolarHBondContact O-N 3.14Å; Q181-N183 VanDerWaalsContact C-N 3.27Å; Q181-N183 PolarHBondContact O-N 2.82Å; N183-F185 VanDerWaalsContact C-N 3.27Å; N183-F185 PolarHBondContact O-N 3.37Å; N183-A186 WeakPolarHBondContact O-CA 3.22Å; N183-A186 PolarHBondContact O-N 3Å; N183-V190 WeakPolarHBondContact ND2-CG1 3.25Å
184	S	98.3	Very high	97.6	Very high	77 Å²	77	42.4 Å²	42.4	54%	0.538	22%	0.219	S	C	.	.	H	α-helix	trans	-67.2	-25.4	177	81.9	0	0	0	0	113.6	E180 Q181 A186	E180-S184 WeakPolarHBondContact O-CB 3.39Å; E180-S184 PolarHBondContact O-N 3.43Å; Q181-S184 WeakPolarHBondContact CA-OG 3.35Å; Q181-S184 CarbonylContact O-C 3.59Å; Q181-S184 WeakPolarHBondContact O-CA 3.24Å; Q181-S184 WeakPolarHBondContact O-CB 3.15Å; Q181-S184 PolarHBondContact O-N 3.37Å; Q181-S184 PolarHBondContact O-OG 2.9Å; S184-A186 PolarHBondContact O-N 2.99Å
185	F	98.3	Very high	97.3	Very high	23 Å²	23	41.8 Å²	41.8	10%	0.101	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	0.8	171.1	-51.2	-22.5	0	0	0	112.3	Q181 F182 N183 L187 L440 A443 R444 S447	Q181-F185 HydrophobicContact CB-CE1 4.32Å; Q181-F185 HydrophobicContact CB-CE2 3.94Å; Q181-F185 HydrophobicContact CB-CZ 3.74Å; Q181-F185 HydrophobicContact CG-CZ 4.4Å; Q181-F185 VanDerWaalsContact O-CD1 3.31Å; Q181-F185 WeakPolarHBondContact O-CD1 3.24Å; Q181-F185 WeakPolarHBondContact O-CD2 3.49Å; Q181-F185 WeakPolarHBondContact O-CG 3.28Å; Q181-F185 PolarHBondContact O-N 2.91Å; F182-F185 HydrophobicContact CD1-CD2 4.29Å; F182-F185 HydrophobicContact CD1-CE2 4.4Å; F182-F185 PolarHBondContact O-N 3.32Å; N183-F185 VanDerWaalsContact C-N 3.27Å; N183-F185 PolarHBondContact O-N 3.37Å; F185-L187 VanDerWaalsContact C-N 3.28Å; F185-L187 HydrophobicContact CB-CD2 4.45Å; F185-L187 HydrophobicContact CB-CG 4.42Å; F185-L187 PolarHBondContact O-N 3.34Å; F185-L440 HydrophobicContact CE2-CD2 4.21Å; F185-L440 VanDerWaalsContact CE2-O 3.23Å; F185-L440 WeakPolarHBondContact CE2-O 3.47Å; F185-A443 HydrophobicContact CD2-CB 4.02Å; F185-A443 HydrophobicContact CE2-CB 4.31Å; F185-R444 HydrophobicContact CD1-CB 3.98Å; F185-R444 HydrophobicContact CD1-CG 3.86Å; F185-R444 HydrophobicContact CD2-CB 3.9Å; F185-R444 HydrophobicContact CE1-CB 3.93Å; F185-R444 HydrophobicContact CE1-CG 3.92Å; F185-R444 HydrophobicContact CE2-CB 3.83Å; F185-R444 HydrophobicContact CG-CB 3.99Å; F185-R444 HydrophobicContact CG-CG 4.26Å; F185-R444 HydrophobicContact CZ-CB 3.85Å; F185-R444 HydrophobicContact CZ-CG 4.33Å; F185-S447 PolarHBondContact O-OG 3.06Å
186	A	96.3	Very high	97	Very high	51 Å²	51	46.4 Å²	46.4	42%	0.421	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	38.9	179.7	0	0	0	0	0	114.1	F182 N183 S184 K451	F182-A186 PolarHBondContact O-N 3.27Å; N183-A186 WeakPolarHBondContact O-CA 3.22Å; N183-A186 PolarHBondContact O-N 3Å; S184-A186 PolarHBondContact O-N 2.99Å; A186-K451 HydrophobicContact CB-CD 4.48Å; A186-K451 WeakPolarHBondContact O-CE 3.47Å; A186-K451 PolarHBondContact O-NZ 3.15Å
187	L	97.7	Very high	96.6	Very high	14 Å²	14	43.4 Å²	43.4	7%	0.073	22%	0.218	C	C	.	.			trans	-56.6	145.8	171.2	-56.8	-176.6	0	0	0	110.2	F182 F185 K189 V190 I406 A443 F463	F182-L187 HydrophobicContact CB-CD1 3.81Å; F182-L187 HydrophobicContact CD1-CD1 4.04Å; F182-L187 HydrophobicContact CD2-CD1 4.34Å; F182-L187 HydrophobicContact CG-CD1 3.82Å; F182-L187 WeakPolarHBondContact O-CG 3.1Å; F182-L187 PolarHBondContact O-N 3.06Å; F185-L187 VanDerWaalsContact C-N 3.28Å; F185-L187 HydrophobicContact CB-CD2 4.45Å; F185-L187 HydrophobicContact CB-CG 4.42Å; F185-L187 PolarHBondContact O-N 3.34Å; L187-K189 PolarHBondContact O-N 3.27Å; L187-K189 VanDerWaalsContact O-N 3.11Å; L187-V190 HydrophobicContact CB-CG2 4.12Å; L187-I406 HydrophobicContact CD2-CD1 4Å; L187-I406 HydrophobicContact CD2-CG1 3.73Å; L187-A443 HydrophobicContact CD1-CB 4.45Å; L187-F463 HydrophobicContact CD1-CD2 4.25Å
188	D	97.1	Very high	96.3	Very high	88 Å²	88	43.9 Å²	43.9	47%	0.471	22%	0.221	S	C	.	.	S	Bend	trans	-64.3	-22.6	-171.5	-54.8	-47	0	0	0	113	A405 I406 K407 K451	D188-A405 PolarHBondContact N-O 2.96Å; D188-I406 WeakPolarHBondContact OD2-CA 3.42Å; D188-K407 PolarHBondContact OD2-N 3.1Å; D188-K451 IonicContact OD1-NZ 3.68Å
189	K	97.3	Very high	96	Very high	53 Å²	53	44 Å²	44	23%	0.23	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	141.1	169	-153.5	169.2	-160.4	161.5	0	110.9	A7 S10 L11 L187 W191 G404 A405	A7-K189 HydrophobicContact CB-CD 4.42Å; A7-K189 PolarHBondContact O-NZ 3.06Å; S10-K189 PolarHBondContact OG-NZ 2.74Å; S10-K189 VanDerWaalsContact OG-NZ 3.16Å; L11-K189 HydrophobicContact CD2-CD 4.45Å; L187-K189 PolarHBondContact O-N 3.27Å; L187-K189 VanDerWaalsContact O-N 3.11Å; K189-W191 HydrophobicContact CB-CE3 4.18Å; K189-W191 HydrophobicContact CB-CZ3 4.07Å; K189-W191 HydrophobicContact CD-CE3 4.31Å; K189-W191 HydrophobicContact CD-CZ3 4.45Å; K189-W191 HydrophobicContact CG-CE3 3.94Å; K189-W191 HydrophobicContact CG-CZ3 4.25Å; K189-G404 CarbonylContact O-C 3.59Å; K189-G404 WeakPolarHBondContact O-CA 3.25Å; K189-A405 HydrophobicContact CB-CB 4.48Å; K189-A405 PolarHBondContact N-O 2.83Å; K189-A405 PolarHBondContact O-N 3.12Å
190	V	98.3	Very high	95.8	Very high	23 Å²	23	42.5 Å²	42.5	14%	0.139	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	136.8	171.2	-168.7	0	0	0	0	108	F182 N183 L187 F403	F182-V190 HydrophobicContact CB-CB 4.46Å; F182-V190 HydrophobicContact CB-CG1 3.69Å; F182-V190 HydrophobicContact CB-CG2 3.82Å; F182-V190 HydrophobicContact CD2-CG1 4.25Å; N183-V190 WeakPolarHBondContact ND2-CG1 3.25Å; L187-V190 HydrophobicContact CB-CG2 4.12Å; V190-F403 VanDerWaalsContact CA-O 3.3Å; V190-F403 WeakPolarHBondContact CA-O 3.43Å; V190-F403 VanDerWaalsContact CG1-O 3.31Å; V190-F403 WeakPolarHBondContact CG1-O 3.45Å
191	W	98	Very high	95.6	Very high	20 Å²	20	38 Å²	38	8%	0.076	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	159	178.8	68.6	99.9	0	0	0	113	I8 K189 F403 A405	I8-W191 HydrophobicContact CD1-CZ2 4.01Å; I8-W191 HydrophobicContact CG1-CZ2 3.91Å; K189-W191 HydrophobicContact CB-CE3 4.18Å; K189-W191 HydrophobicContact CB-CZ3 4.07Å; K189-W191 HydrophobicContact CD-CE3 4.31Å; K189-W191 HydrophobicContact CD-CZ3 4.45Å; K189-W191 HydrophobicContact CG-CE3 3.94Å; K189-W191 HydrophobicContact CG-CZ3 4.25Å; W191-F403 HydrophobicContact CD2-CB 3.59Å; W191-F403 HydrophobicContact CD2-CG 4.46Å; W191-F403 AromaticContact CE2-CG 3.73Å; W191-F403 HydrophobicContact CE3-CB 3.92Å; W191-F403 HydrophobicContact CG-CB 4.19Å; W191-F403 HydrophobicContact CH2-CB 3.78Å; W191-F403 HydrophobicContact CH2-CG 4.41Å; W191-F403 HydrophobicContact CZ2-CB 3.43Å; W191-F403 VanDerWaalsContact CZ2-CB 3.43Å; W191-F403 HydrophobicContact CZ2-CD1 4.07Å; W191-F403 HydrophobicContact CZ2-CD2 4.34Å; W191-F403 AromaticContact CZ2-CG 3.72Å; W191-F403 HydrophobicContact CZ2-CG 3.72Å; W191-F403 HydrophobicContact CZ3-CB 4Å; W191-F403 PolarHBondContact N-O 3.22Å; W191-F403 AromaticContact NE1-CD2 3.6Å; W191-F403 AromaticContact NE1-CG 3.81Å; W191-F403 PolarHBondContact O-N 3.41Å; W191-A405 HydrophobicContact CH2-CB 4.1Å; W191-A405 HydrophobicContact CZ3-CB 3.81Å
192	Y	96.9	Very high	95.3	Very high	74 Å²	74	39 Å²	39	29%	0.29	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	148.1	164.5	-62.1	-75.4	0	0	0	110.8	I176 H179 L400 N401 V402	I176-Y192 WeakPolarHBondContact CA-OH 3.31Å; H179-Y192 HydrophobicContact CB-CE1 3.85Å; H179-Y192 HydrophobicContact CB-CE2 4.45Å; H179-Y192 VanDerWaalsContact CB-OH 3.31Å; H179-Y192 WeakPolarHBondContact CB-OH 3.31Å; H179-Y192 AromaticContact CD2-CD2 3.88Å; H179-Y192 AromaticContact CD2-CE1 3.93Å; H179-Y192 AromaticContact CD2-CE2 3.49Å; H179-Y192 VanDerWaalsContact CD2-CE2 3.49Å; H179-Y192 WeakPolarHBondContact CD2-CE2 3.42Å; H179-Y192 AromaticContact CD2-CZ 3.52Å; H179-Y192 AromaticContact CE1-CE2 3.98Å; H179-Y192 AromaticContact CG-CE2 3.78Å; H179-Y192 AromaticContact CG-CZ 3.45Å; H179-Y192 VanDerWaalsContact CG-CZ 3.45Å; H179-Y192 AromaticContact NE2-CE2 3.66Å; Y192-L400 HydrophobicContact CD1-CB 4.45Å; Y192-L400 HydrophobicContact CD1-CD1 4.45Å; Y192-L400 HydrophobicContact CE1-CD1 4.44Å; Y192-N401 WeakPolarHBondContact CA-O 3.49Å; Y192-V402 HydrophobicContact CD1-CG2 3.98Å; Y192-V402 HydrophobicContact CE1-CG2 3.94Å
193	D	94.9	Very high	95	Very high	6 Å²	6	39.5 Å²	39.5	3%	0.032	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	120.2	164.3	178.3	52.6	0	0	0	108	A4 H195 N401 F403	A4-D193 HydrophobicContact CB-CB 4.38Å; D193-H195 IonicContact OD1-NE2 3.33Å; D193-H195 IonicContact OD2-CD2 2.74Å; D193-H195 IonicContact OD2-CE1 3.78Å; D193-H195 IonicContact OD2-NE2 3.76Å; D193-H195 PolarHBondContact OD2-NE2 3.34Å; D193-N401 HydrophobicContact CB-CB 4.16Å; D193-N401 PolarHBondContact N-O 3.37Å; D193-N401 PolarHBondContact O-N 2.9Å; D193-F403 HydrophobicContact CB-CD2 3.99Å; D193-F403 HydrophobicContact CB-CE2 3.72Å
194	E	94.1	Very high	94.6	Very high	83 Å²	83	41.9 Å²	41.9	39%	0.388	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	129.4	-167	-49.8	-170.3	111.6	0	0	110.7	K398 L400	E194-K398 IonicContact OE1-NZ 2.9Å; E194-L400 HydrophobicContact CB-CD2 4.3Å; E194-L400 HydrophobicContact CG-CD2 3.66Å; E194-L400 WeakPolarHBondContact OE1-CD2 3.33Å
195	H	91.4	Very high	94.3	Very high	4 Å²	4	42 Å²	42	2%	0.019	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	152.9	177.2	-59.6	-74.6	0	0	0	110.7	D193 I197 K398 I399 E478	D193-H195 IonicContact OD1-NE2 3.33Å; D193-H195 IonicContact OD2-CD2 2.74Å; D193-H195 IonicContact OD2-CE1 3.78Å; D193-H195 IonicContact OD2-NE2 3.76Å; D193-H195 PolarHBondContact OD2-NE2 3.34Å; H195-I197 HydrophobicContact CB-CG2 4.25Å; H195-K398 WeakPolarHBondContact O-CA 3.34Å; H195-I399 HydrophobicContact CB-CD1 4.21Å; H195-I399 HydrophobicContact CB-CG1 3.88Å; H195-I399 PolarHBondContact N-O 2.81Å; H195-I399 PolarHBondContact O-N 3.16Å; H195-E478 HydrophobicContact CB-CG 4.39Å
196	Y	90.9	Very high	94.1	Very high	98 Å²	98	44.5 Å²	44.5	38%	0.384	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	102	179.4	-73.3	-89.4	0	0	0	108.7	S324 N326 H327 R397 K398	Y196-S324 WeakPolarHBondContact O-CB 3.47Å; Y196-N326 HydrophobicContact CD2-CB 4.27Å; Y196-N326 HydrophobicContact CG-CB 4.36Å; Y196-H327 PolarHBondContact O-CE1 2.88Å; Y196-R397 WeakPolarHBondContact CA-O 3.43Å; Y196-K398 HydrophobicContact CD1-CB 4.2Å; Y196-K398 HydrophobicContact CE1-CB 3.96Å; Y196-K398 HydrophobicContact CE1-CG 4.09Å
197	I	90.9	Very high	94.1	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	155.6	-166.4	59.9	168.6	0	0	0	112.9	H195 L199 D316 S324 D396 R397 I399 A468 V474 E478	H195-I197 HydrophobicContact CB-CG2 4.25Å; I197-L199 HydrophobicContact CD1-CD1 4.03Å; I197-L199 HydrophobicContact CD1-CD2 3.57Å; I197-L199 HydrophobicContact CD1-CG 3.76Å; I197-L199 HydrophobicContact CG1-CD2 4.25Å; I197-L199 HydrophobicContact CG1-CG 4.09Å; I197-D316 WeakPolarHBondContact CA-OD2 3.46Å; I197-D316 HydrophobicContact CB-CB 4.41Å; I197-D316 WeakPolarHBondContact CB-OD2 3.18Å; I197-D316 HydrophobicContact CG2-CB 4.18Å; I197-S324 VanDerWaalsContact CG2-OG 3.24Å; I197-S324 WeakPolarHBondContact CG2-OG 3.26Å; I197-D396 CarbonylContact O-C 3.58Å; I197-D396 WeakPolarHBondContact O-CA 3.27Å; I197-R397 HydrophobicContact CG1-CB 4.36Å; I197-R397 PolarHBondContact N-O 3.36Å; I197-R397 PolarHBondContact O-N 2.85Å; I197-I399 HydrophobicContact CD1-CB 4.4Å; I197-I399 HydrophobicContact CD1-CD1 3.89Å; I197-I399 HydrophobicContact CD1-CG1 3.98Å; I197-I399 HydrophobicContact CD1-CG2 3.56Å; I197-I399 HydrophobicContact CG1-CG1 4.2Å; I197-I399 HydrophobicContact CG1-CG2 4.01Å; I197-I399 HydrophobicContact CG2-CD1 4.44Å; I197-I399 HydrophobicContact CG2-CG1 4.45Å; I197-A468 HydrophobicContact CD1-CB 3.6Å; I197-V474 HydrophobicContact CB-CG1 4.39Å; I197-V474 HydrophobicContact CD1-CB 4.35Å; I197-V474 HydrophobicContact CD1-CG1 3.73Å; I197-V474 HydrophobicContact CG2-CG1 3.85Å; I197-E478 HydrophobicContact CG2-CG 4.23Å
198	K	90.4	Very high	94.1	Very high	35 Å²	35	45.7 Å²	45.7	15%	0.152	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	85.6	-179.1	-178.7	148.1	-76.2	149.7	0	112	D316 F318 M394 D396	K198-D316 PolarHBondContact N-OD2 2.79Å; K198-F318 HydrophobicContact CB-CB 4.4Å; K198-F318 HydrophobicContact CB-CD2 3.63Å; K198-F318 HydrophobicContact CB-CE2 4.26Å; K198-F318 HydrophobicContact CB-CG 4.19Å; K198-F318 HydrophobicContact CD-CD1 4.26Å; K198-F318 HydrophobicContact CD-CD2 3.9Å; K198-F318 HydrophobicContact CD-CE1 4.49Å; K198-F318 HydrophobicContact CD-CE2 4.17Å; K198-F318 HydrophobicContact CD-CG 3.95Å; K198-F318 HydrophobicContact CD-CZ 4.45Å; K198-F318 HydrophobicContact CG-CD2 3.52Å; K198-F318 HydrophobicContact CG-CE2 3.7Å; K198-F318 HydrophobicContact CG-CG 4.09Å; K198-F318 HydrophobicContact CG-CZ 4.38Å; K198-M394 HydrophobicContact CD-CE 4.5Å; K198-M394 HydrophobicContact CG-CE 3.67Å; K198-D396 WeakPolarHBondContact CE-OD1 3.29Å; K198-D396 IonicContact NZ-OD1 2.92Å; K198-D396 PolarHBondContact NZ-OD1 2.74Å; K198-D396 VanDerWaalsContact NZ-OD1 3.16Å
199	L	92	Very high	94.1	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.01	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	161.8	175.9	-61.4	-171.2	0	0	0	112	A166 I197 M394 V395 R397 A468 Y471	A166-L199 HydrophobicContact CB-CD1 4.01Å; I197-L199 HydrophobicContact CD1-CD1 4.03Å; I197-L199 HydrophobicContact CD1-CD2 3.57Å; I197-L199 HydrophobicContact CD1-CG 3.76Å; I197-L199 HydrophobicContact CG1-CD2 4.25Å; I197-L199 HydrophobicContact CG1-CG 4.09Å; L199-M394 CarbonylContact O-C 3.09Å; L199-M394 WeakPolarHBondContact O-CA 3.25Å; L199-M394 WeakPolarHBondContact O-CE 3.37Å; L199-V395 PolarHBondContact N-O 3.03Å; L199-V395 PolarHBondContact O-N 3.04Å; L199-R397 HydrophobicContact CD1-CB 4.41Å; L199-R397 HydrophobicContact CD1-CG 4.25Å; L199-A468 HydrophobicContact CD1-CB 4.4Å; L199-A468 HydrophobicContact CD2-CB 4.48Å; L199-Y471 HydrophobicContact CB-CD1 4.21Å; L199-Y471 HydrophobicContact CB-CE1 4.07Å; L199-Y471 HydrophobicContact CD1-CD1 4.15Å; L199-Y471 HydrophobicContact CD1-CD2 3.93Å; L199-Y471 HydrophobicContact CD1-CE1 4.1Å; L199-Y471 HydrophobicContact CD1-CE2 3.91Å; L199-Y471 HydrophobicContact CD1-CG 4.04Å; L199-Y471 HydrophobicContact CD2-CD1 3.63Å; L199-Y471 HydrophobicContact CD2-CD2 4.29Å; L199-Y471 HydrophobicContact CD2-CE1 4.28Å; L199-Y471 HydrophobicContact CD2-CG 3.6Å; L199-Y471 HydrophobicContact CG-CD1 4.21Å; L199-Y471 HydrophobicContact CG-CE1 4.38Å; L199-Y471 HydrophobicContact CG-CG 4.36Å
200	Q	94.7	Very high	94.1	Very high	8 Å²	8	39.1 Å²	39.1	4%	0.037	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	128.2	169.4	-171.3	-175.4	85.2	0	0	109.4	Y226 V227 Y229 S230 N392 V393 M394 Y471	Q200-Y226 WeakPolarHBondContact O-CE2 3.31Å; Q200-V227 PolarHBondContact OE1-O 3.07Å; Q200-Y229 HydrophobicContact CB-CD1 4.22Å; Q200-S230 PolarHBondContact NE2-O 2.84Å; Q200-S230 VanDerWaalsContact OE1-N 3.07Å; Q200-S230 PolarHBondContact OE1-O 3.01Å; Q200-N392 VanDerWaalsContact CD-CB 3.47Å; Q200-N392 HydrophobicContact CG-CB 3.66Å; Q200-N392 PolarHBondContact OE1-ND2 3.25Å; Q200-V393 WeakPolarHBondContact CA-O 3.39Å; Q200-M394 HydrophobicContact CB-CE 3.91Å; Q200-M394 HydrophobicContact CB-SD 3.58Å; Q200-M394 VanDerWaalsContact CB-SD 3.58Å; Q200-M394 HydrophobicContact CG-SD 3.6Å; Q200-M394 PolarHBondContact NE2-SD 3.37Å; Q200-Y471 WeakPolarHBondContact O-CE1 3.38Å
201	V	94.5	Very high	93.9	Very high	19 Å²	19	38.2 Å²	38.2	12%	0.115	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	169.8	178.3	-62.5	0	0	0	0	112.2	N392 V393 V395	V201-N392 CarbonylContact O-C 3.36Å; V201-N392 WeakPolarHBondContact O-CA 3.2Å; V201-N392 WeakPolarHBondContact O-CB 3.42Å; V201-V393 PolarHBondContact N-O 3.49Å; V201-V393 PolarHBondContact O-N 3.33Å; V201-V395 HydrophobicContact CB-CG2 4.31Å; V201-V395 HydrophobicContact CG1-CG2 3.69Å; V201-V395 HydrophobicContact CG2-CB 4.42Å; V201-V395 HydrophobicContact CG2-CG1 3.76Å; V201-V395 HydrophobicContact CG2-CG2 3.71Å
202	K	92.6	Very high	93.5	Very high	58 Å²	58	39.3 Å²	39.3	25%	0.252	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	133.7	172.4	-162.6	176.8	-168.6	176.7	0	111.3	N206 P223 S224 Y226	K202-N206 VanDerWaalsContact CE-OD1 3.3Å; K202-N206 WeakPolarHBondContact CE-OD1 3.35Å; K202-N206 PolarHBondContact NZ-OD1 3.18Å; K202-P223 PolarHBondContact NZ-O 3.37Å; K202-S224 PolarHBondContact NZ-O 3.29Å; K202-Y226 HydrophobicContact CB-CD1 3.72Å; K202-Y226 HydrophobicContact CB-CE1 4.1Å; K202-Y226 HydrophobicContact CB-CG 4.06Å; K202-Y226 HydrophobicContact CG-CD1 4.44Å
203	G	91.4	Very high	92.9	Very high	12 Å²	12	38.1 Å²	38.1	12%	0.124	20%	0.202	C	C	.	.			trans	-79.5	176	176.3	0	0	0	0	0	114.4	V205 N391	G203-V205 VanDerWaalsContact C-N 3.27Å; G203-V205 PolarHBondContact O-N 3.34Å; G203-N391 VanDerWaalsContact CA-O 3.27Å; G203-N391 WeakPolarHBondContact CA-O 3.28Å; G203-N391 PolarHBondContact N-O 3.44Å
204	S	90.4	Very high	91.9	Very high	132 Å²	132	44 Å²	44	92%	0.923	23%	0.233	S	C	*	.	S	Bend	trans	-70.9	-21	176.5	54	0	0	0	0	113.7
205	V	92.4	Very high	90.7	Very high	80 Å²	80	44.5 Å²	44.5	49%	0.485	25%	0.246	S	C	.	.	S	Bend	trans	-96.5	120.5	169.7	179.7	0	0	0	0	107.7	G203 N391	G203-V205 VanDerWaalsContact C-N 3.27Å; G203-V205 PolarHBondContact O-N 3.34Å; V205-N391 HydrophobicContact CB-CB 4.16Å; V205-N391 HydrophobicContact CG1-CB 4.45Å
206	N	93.6	Very high	90.2	Very high	74 Å²	74	46 Å²	46	40%	0.396	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-59.7	141.2	176.8	-81.5	-25.1	0	0	0	111.7	K202 S222 N391	K202-N206 VanDerWaalsContact CE-OD1 3.3Å; K202-N206 WeakPolarHBondContact CE-OD1 3.35Å; K202-N206 PolarHBondContact NZ-OD1 3.18Å; N206-S222 WeakPolarHBondContact CB-OG 3.24Å; N206-S222 PolarHBondContact ND2-OG 3.3Å; N206-N391 PolarHBondContact O-ND2 3.33Å
207	N	97	Very high	90.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-63	149.8	164.7	-59.5	-9.7	0	0	0	109.6	S222 P223 Q344 K389 N391 N392	N207-S222 WeakPolarHBondContact O-CA 3.43Å; N207-P223 WeakPolarHBondContact O-CD 3.37Å; N207-Q344 PolarHBondContact ND2-OE1 3.35Å; N207-K389 VanDerWaalsContact CA-O 3.25Å; N207-K389 WeakPolarHBondContact CA-O 3.42Å; N207-N391 PolarHBondContact OD1-N 3.15Å; N207-N392 PolarHBondContact ND2-OD1 2.84Å
208	K	97	Very high	90.1	Very high	91 Å²	91	50 Å²	50	40%	0.396	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	146.6	-176.6	-64.7	-175.7	-179.2	-176.7	0	111.6	L219 K389	K208-L219 HydrophobicContact CB-CD1 4.22Å; K208-L219 HydrophobicContact CD-CD1 4.23Å; K208-L219 HydrophobicContact CG-CD1 4.29Å; K208-K389 PolarHBondContact N-O 3.44Å; K208-K389 PolarHBondContact O-N 3.37Å
209	V	97.4	Very high	90.3	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	124.2	164.7	-176.5	0	0	0	0	107.6	V220 E221 L290 Q344 I346 V386 Q387 L388	V209-V220 HydrophobicContact CG1-CB 4.33Å; V209-V220 WeakPolarHBondContact O-CA 3.34Å; V209-V220 WeakPolarHBondContact O-CB 3.33Å; V209-V220 PolarHBondContact O-N 3.41Å; V209-E221 PolarHBondContact N-O 3.42Å; V209-E221 PolarHBondContact O-N 3.43Å; V209-E221 VanDerWaalsContact O-N 3.08Å; V209-L290 HydrophobicContact CG1-CD1 3.97Å; V209-L290 HydrophobicContact CG2-CD2 3.83Å; V209-Q344 HydrophobicContact CG2-CG 4.5Å; V209-I346 HydrophobicContact CG2-CG2 3.85Å; V209-V386 HydrophobicContact CG1-CG1 3.82Å; V209-Q387 WeakPolarHBondContact CA-O 3.48Å; V209-L388 HydrophobicContact CG2-CD1 4.08Å
210	S	96.3	Very high	90.4	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.014	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	158.1	176.1	45.8	0	0	0	0	111.3	E217 V218 V386 Q387	S210-E217 WeakPolarHBondContact CB-OE1 3.4Å; S210-E217 PolarHBondContact OG-OE1 2.99Å; S210-V218 CarbonylContact C-O 3.51Å; S210-V218 VanDerWaalsContact CA-O 3.26Å; S210-V218 WeakPolarHBondContact CA-O 3.38Å; S210-V218 VanDerWaalsContact CB-O 3.3Å; S210-V218 WeakPolarHBondContact CB-O 3.3Å; S210-V386 CarbonylContact O-C 3.58Å; S210-V386 WeakPolarHBondContact O-CA 3.37Å; S210-Q387 PolarHBondContact N-O 3.25Å; S210-Q387 PolarHBondContact O-N 3.42Å
211	V	94.1	Very high	90.5	Very high	4 Å²	4	55 Å²	55	2%	0.024	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	131	172.7	168.8	0	0	0	0	108	E213 E217 V218 V220 L354 M384 T385 V386	V211-E213 HydrophobicContact CG1-CG 4.06Å; V211-E217 WeakPolarHBondContact O-CA 3.12Å; V211-V218 PolarHBondContact N-O 3.4Å; V211-V218 PolarHBondContact O-N 2.96Å; V211-V220 HydrophobicContact CB-CG2 4.36Å; V211-V220 HydrophobicContact CG2-CG2 3.6Å; V211-L354 HydrophobicContact CG2-CD2 3.67Å; V211-M384 HydrophobicContact CB-CE 4.36Å; V211-M384 HydrophobicContact CG1-CE 3.89Å; V211-M384 HydrophobicContact CG1-CG 3.84Å; V211-M384 HydrophobicContact CG2-CE 3.46Å; V211-M384 VanDerWaalsContact CG2-CE 3.46Å; V211-T385 WeakPolarHBondContact CA-O 3.41Å; V211-V386 HydrophobicContact CG2-CG2 4.32Å
212	V	90.5	Very high	90.6	Very high	43 Å²	43	56.4 Å²	56.4	26%	0.261	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	121.4	176.3	-177.6	0	0	0	0	108.6	E217 T385 Q387	V212-E217 HydrophobicContact CG2-CB 4.42Å; V212-E217 HydrophobicContact CG2-CG 4.23Å; V212-T385 PolarHBondContact N-O 3.28Å; V212-T385 PolarHBondContact O-N 2.84Å; V212-T385 VanDerWaalsContact O-N 3.1Å; V212-T385 PolarHBondContact O-OG1 2.87Å; V212-Q387 HydrophobicContact CG2-CB 4.2Å
213	E	84.4	Confident	90.7	Very high	50 Å²	50	53.7 Å²	53.7	23%	0.234	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	170.5	178.5	-78.8	167.5	-150.1	0	0	109.8	V211 S215 G216 K357	V211-E213 HydrophobicContact CG1-CG 4.06Å; E213-S215 WeakPolarHBondContact CB-OG 3.27Å; E213-S215 PolarHBondContact O-N 3.39Å; E213-S215 PolarHBondContact OE2-OG 2.78Å; E213-G216 PolarHBondContact N-O 2.98Å; E213-G216 PolarHBondContact O-N 3.22Å; E213-K357 VanDerWaalsContact OE1-CD 3.29Å; E213-K357 WeakPolarHBondContact OE1-CD 3.42Å; E213-K357 WeakPolarHBondContact OE1-CE 3.49Å; E213-K357 IonicContact OE1-NZ 2.74Å; E213-K357 PolarHBondContact OE1-NZ 3.1Å; E213-K357 IonicContact OE2-NZ 2.73Å; E213-K357 PolarHBondContact OE2-NZ 2.88Å
214	D	73.7	Confident	90.7	Very high	129 Å²	129	56.4 Å²	56.4	69%	0.69	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-21.9	169	-68.7	-24.4	0	0	0	112.9	K383	D214-K383 WeakPolarHBondContact OD1-CD 3.32Å; D214-K383 IonicContact OD1-NZ 3.15Å; D214-K383 PolarHBondContact OD1-NZ 2.95Å; D214-K383 VanDerWaalsContact OD1-NZ 3.1Å; D214-K383 WeakPolarHBondContact OD2-CD 3.47Å; D214-K383 WeakPolarHBondContact OD2-CE 3.38Å; D214-K383 IonicContact OD2-NZ 2.59Å; D214-K383 PolarHBondContact OD2-NZ 3.44Å
215	S	69.3	Low	91	Very high	94 Å²	94	50.1 Å²	50.1	66%	0.657	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-13.2	-178.3	58.8	0	0	0	0	114.2	E213	E213-S215 WeakPolarHBondContact CB-OG 3.27Å; E213-S215 PolarHBondContact O-N 3.39Å; E213-S215 PolarHBondContact OE2-OG 2.78Å
216	G	81.4	Confident	91.2	Very high	34 Å²	34	46.4 Å²	46.4	35%	0.351	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	129.6	-171.5	-178.3	0	0	0	0	0	114.1	E213	E213-G216 PolarHBondContact N-O 2.98Å; E213-G216 PolarHBondContact O-N 3.22Å
217	E	88.3	Confident	91.4	Very high	114 Å²	114	42.9 Å²	42.9	53%	0.533	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	128.4	170.8	-174.3	-171.5	177.8	0	0	110.1	S210 V211 V212	S210-E217 WeakPolarHBondContact CB-OE1 3.4Å; S210-E217 PolarHBondContact OG-OE1 2.99Å; V211-E217 WeakPolarHBondContact O-CA 3.12Å; V212-E217 HydrophobicContact CG2-CB 4.42Å; V212-E217 HydrophobicContact CG2-CG 4.23Å
218	V	91.4	Very high	91.4	Very high	68 Å²	68	42.9 Å²	42.9	41%	0.412	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	118.4	173.3	-178.7	0	0	0	0	108.8	S210 V211 V220	S210-V218 CarbonylContact C-O 3.51Å; S210-V218 VanDerWaalsContact CA-O 3.26Å; S210-V218 WeakPolarHBondContact CA-O 3.38Å; S210-V218 VanDerWaalsContact CB-O 3.3Å; S210-V218 WeakPolarHBondContact CB-O 3.3Å; V211-V218 PolarHBondContact N-O 3.4Å; V211-V218 PolarHBondContact O-N 2.96Å; V218-V220 PolarHBondContact O-N 3.24Å
219	L	94.1	Very high	91.3	Very high	96 Å²	96	39 Å²	39	50%	0.503	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	123.9	173.2	-175.6	68.9	0	0	0	109.9	K208 E221	K208-L219 HydrophobicContact CB-CD1 4.22Å; K208-L219 HydrophobicContact CD-CD1 4.23Å; K208-L219 HydrophobicContact CG-CD1 4.29Å; L219-E221 WeakPolarHBondContact CD1-O 3.01Å
220	V	94.5	Very high	91.3	Very high	22 Å²	22	39 Å²	39	13%	0.133	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	-53.4	172.1	176.3	0	0	0	0	109.1	V209 V211 V218 A350 L353 L354	V209-V220 HydrophobicContact CG1-CB 4.33Å; V209-V220 WeakPolarHBondContact O-CA 3.34Å; V209-V220 WeakPolarHBondContact O-CB 3.33Å; V209-V220 PolarHBondContact O-N 3.41Å; V211-V220 HydrophobicContact CB-CG2 4.36Å; V211-V220 HydrophobicContact CG2-CG2 3.6Å; V218-V220 PolarHBondContact O-N 3.24Å; V220-A350 HydrophobicContact CG1-CB 3.78Å; V220-L353 HydrophobicContact CB-CD2 4.4Å; V220-L353 HydrophobicContact CG1-CB 4.44Å; V220-L353 HydrophobicContact CG1-CD2 4.1Å; V220-L353 HydrophobicContact CG1-CG 4.43Å; V220-L353 HydrophobicContact CG2-CD2 4.37Å; V220-L354 HydrophobicContact CG1-CD2 4.49Å; V220-L354 HydrophobicContact CG1-CG 4.21Å; V220-L354 HydrophobicContact CG2-CD2 4Å
221	E	96.4	Very high	91.3	Very high	33 Å²	33	43 Å²	43	15%	0.154	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	151.6	-178.1	-165.7	166.5	-110.2	0	0	111.9	V209 L219 P223 I346 S347 A350	V209-E221 PolarHBondContact N-O 3.42Å; V209-E221 PolarHBondContact O-N 3.43Å; V209-E221 VanDerWaalsContact O-N 3.08Å; L219-E221 WeakPolarHBondContact CD1-O 3.01Å; E221-P223 HydrophobicContact CB-CG 4.36Å; E221-P223 HydrophobicContact CG-CG 4.01Å; E221-I346 WeakPolarHBondContact OE2-CA 3.46Å; E221-I346 WeakPolarHBondContact OE2-CB 3.36Å; E221-S347 WeakPolarHBondContact OE1-CB 3.31Å; E221-S347 PolarHBondContact OE1-OG 3.25Å; E221-S347 PolarHBondContact OE2-N 2.69Å; E221-A350 HydrophobicContact CB-CB 3.99Å; E221-A350 HydrophobicContact CG-CB 4.46Å
222	S	96.3	Very high	91.3	Very high	48 Å²	48	46.4 Å²	46.4	34%	0.336	27%	0.266	S	S	.	.			trans	-116.7	81.2	164.9	162.8	0	0	0	0	107.4	N206 N207	N206-S222 WeakPolarHBondContact CB-OG 3.24Å; N206-S222 PolarHBondContact ND2-OG 3.3Å; N207-S222 WeakPolarHBondContact O-CA 3.43Å
223	P	94.6	Very high	91.5	Very high	1 Å²	1	47 Å²	47	1%	0.006	27%	0.267	C	S	.	.			trans	-57.4	146.7	-160.8	-28.4	36.4	0	0	0	114.3	K202 N207 E221 V305 Q344 T345 I346	K202-P223 PolarHBondContact NZ-O 3.37Å; N207-P223 WeakPolarHBondContact O-CD 3.37Å; E221-P223 HydrophobicContact CB-CG 4.36Å; E221-P223 HydrophobicContact CG-CG 4.01Å; P223-V305 HydrophobicContact CB-CG1 4.13Å; P223-V305 HydrophobicContact CB-CG2 4.43Å; P223-Q344 HydrophobicContact CB-CG 4.48Å; P223-Q344 HydrophobicContact CG-CG 3.92Å; P223-T345 WeakPolarHBondContact CB-O 3.29Å; P223-I346 HydrophobicContact CG-CG2 4.27Å
224	S	92.2	Very high	92.1	Very high	69 Å²	69	49 Å²	49	48%	0.483	28%	0.277	S	S	.	.	S	Bend	trans	-72.6	-50.5	178.5	54.4	0	0	0	0	111.2	K202	K202-S224 PolarHBondContact NZ-O 3.29Å
225	A	95.4	Very high	93.1	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.249	C	C	.	.	S	Bend	trans	-81	178	172.4	0	0	0	0	0	113.1	V305 P306 Q344 W425	A225-V305 HydrophobicContact CB-CB 4.06Å; A225-V305 HydrophobicContact CB-CG1 3.8Å; A225-V305 WeakPolarHBondContact CB-O 3.42Å; A225-P306 VanDerWaalsContact CB-O 3.3Å; A225-P306 WeakPolarHBondContact CB-O 3.47Å; A225-Q344 PolarHBondContact O-NE2 3.21Å; A225-Q344 VanDerWaalsContact O-NE2 3.08Å; A225-W425 HydrophobicContact CB-CH2 3.44Å; A225-W425 VanDerWaalsContact CB-CH2 3.44Å; A225-W425 HydrophobicContact CB-CZ2 3.7Å; A225-W425 HydrophobicContact CB-CZ3 4.04Å
226	Y	96.6	Very high	94.3	Very high	3 Å²	3	42.3 Å²	42.3	1%	0.012	24%	0.239	C	C	.	.			trans	-147.1	169.2	179.2	68.6	-79.2	0	0	0	109.5	E165 Q200 K202 A228 F307 W425 Y471	E165-Y226 PolarHBondContact OE1-OH 3.46Å; Q200-Y226 WeakPolarHBondContact O-CE2 3.31Å; K202-Y226 HydrophobicContact CB-CD1 3.72Å; K202-Y226 HydrophobicContact CB-CE1 4.1Å; K202-Y226 HydrophobicContact CB-CG 4.06Å; K202-Y226 HydrophobicContact CG-CD1 4.44Å; Y226-A228 HydrophobicContact CE2-CB 4.34Å; Y226-F307 HydrophobicContact CD1-CD2 4.36Å; Y226-F307 HydrophobicContact CD2-CE2 4.37Å; Y226-F307 HydrophobicContact CE1-CD2 4.07Å; Y226-F307 HydrophobicContact CE1-CE2 4.09Å; Y226-F307 HydrophobicContact CE2-CD2 4.39Å; Y226-F307 AromaticContact CE2-CE2 3.77Å; Y226-F307 HydrophobicContact CE2-CE2 3.77Å; Y226-F307 AromaticContact CZ-CE2 3.62Å; Y226-F307 WeakPolarHBondContact O-CD2 3.43Å; Y226-W425 AromaticContact CE1-NE1 3.7Å; Y226-Y471 PolarHBondContact OH-OH 3.02Å
227	V	97.9	Very high	94.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	118.5	174.7	176.3	0	0	0	0	109.8	Q200 S230 L274 G308 A310 V343 T345 N392	Q200-V227 PolarHBondContact OE1-O 3.07Å; V227-S230 VanDerWaalsContact O-CB 3.25Å; V227-S230 WeakPolarHBondContact O-CB 3.38Å; V227-S230 PolarHBondContact O-N 2.87Å; V227-L274 HydrophobicContact CB-CD2 4.31Å; V227-L274 HydrophobicContact CG1-CD2 3.57Å; V227-L274 HydrophobicContact CG2-CD2 3.72Å; V227-G308 CarbonylContact C-O 3.55Å; V227-G308 VanDerWaalsContact CA-O 3.3Å; V227-G308 WeakPolarHBondContact CA-O 3.46Å; V227-A310 HydrophobicContact CG1-CB 3.73Å; V227-V343 HydrophobicContact CB-CB 4.38Å; V227-V343 HydrophobicContact CB-CG1 4.26Å; V227-V343 HydrophobicContact CG1-CB 4.1Å; V227-V343 HydrophobicContact CG1-CG1 3.88Å; V227-V343 HydrophobicContact CG2-CG1 4.15Å; V227-T345 HydrophobicContact CG2-CG2 3.78Å; V227-N392 PolarHBondContact O-ND2 3.35Å
228	A	96.8	Very high	95	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	142.4	177.4	0	0	0	0	0	111.9	Y226 S230 F307 G308 H309 A310 Y471	Y226-A228 HydrophobicContact CE2-CB 4.34Å; A228-S230 PolarHBondContact O-N 2.9Å; A228-F307 HydrophobicContact CB-CE2 4.07Å; A228-F307 HydrophobicContact CB-CZ 3.86Å; A228-G308 PolarHBondContact N-O 2.93Å; A228-H309 HydrophobicContact CB-CB 4.19Å; A228-H309 WeakPolarHBondContact O-CA 3.3Å; A228-A310 PolarHBondContact O-N 2.9Å; A228-Y471 HydrophobicContact CB-CD1 3.86Å; A228-Y471 HydrophobicContact CB-CE1 3.9Å
229	Y	96.1	Very high	95	Very high	8 Å²	8	35.3 Å²	35.3	3%	0.031	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	60	13.7	-172.3	-39.9	-67.4	0	0	0	115.5	Q200 H309 H311 P317 L338 P339 M394 Y471	Q200-Y229 HydrophobicContact CB-CD1 4.22Å; Y229-H309 HydrophobicContact CD2-CB 4.22Å; Y229-H309 HydrophobicContact CE2-CB 4.38Å; Y229-H311 HydrophobicContact CD2-CB 3.52Å; Y229-H311 HydrophobicContact CE2-CB 3.96Å; Y229-H311 HydrophobicContact CG-CB 4.22Å; Y229-P317 HydrophobicContact CD1-CG 3.67Å; Y229-P317 HydrophobicContact CE1-CG 3.36Å; Y229-P317 HydrophobicContact CE2-CG 4.25Å; Y229-P317 HydrophobicContact CG-CG 4.24Å; Y229-L338 HydrophobicContact CG-CD2 4.33Å; Y229-P339 VanDerWaalsContact O-CD 3.26Å; Y229-P339 WeakPolarHBondContact O-CD 3.25Å; Y229-P339 WeakPolarHBondContact O-CG 3.49Å; Y229-M394 HydrophobicContact CD1-CE 4.5Å; Y229-Y471 VanDerWaalsContact CE2-O 3.25Å; Y229-Y471 WeakPolarHBondContact CE2-O 3.41Å; Y229-Y471 PolarHBondContact OH-O 3.31Å
230	S	97.3	Very high	95	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.007	17%	0.17	C	C	.	.			trans	-58.2	145.5	167.4	176.4	0	0	0	0	110.5	Q200 V227 A228 N232 V343	Q200-S230 PolarHBondContact NE2-O 2.84Å; Q200-S230 VanDerWaalsContact OE1-N 3.07Å; Q200-S230 PolarHBondContact OE1-O 3.01Å; V227-S230 VanDerWaalsContact O-CB 3.25Å; V227-S230 WeakPolarHBondContact O-CB 3.38Å; V227-S230 PolarHBondContact O-N 2.87Å; A228-S230 PolarHBondContact O-N 2.9Å; S230-N232 PolarHBondContact O-N 3.43Å; S230-V343 WeakPolarHBondContact CB-O 3.36Å; S230-V343 PolarHBondContact OG-N 2.77Å; S230-V343 PolarHBondContact OG-O 2.88Å
231	K	95.8	Very high	95	Very high	87 Å²	87	29.9 Å²	29.9	38%	0.378	16%	0.164	S	C	.	.			trans	-67.8	131.1	171	-172.1	-174.7	170.2	-161.9	0	109.5	D233 H340 I341	K231-D233 HydrophobicContact CD-CB 4.3Å; K231-D233 WeakPolarHBondContact CE-OD2 3.49Å; K231-D233 HydrophobicContact CG-CB 4.34Å; K231-D233 IonicContact NZ-OD2 2.6Å; K231-D233 PolarHBondContact NZ-OD2 3.06Å; K231-D233 PolarHBondContact O-N 3.34Å; K231-H340 VanDerWaalsContact CD-O 3.26Å; K231-H340 WeakPolarHBondContact CD-O 3.37Å; K231-I341 VanDerWaalsContact CB-O 3.3Å; K231-I341 WeakPolarHBondContact CB-O 3.18Å; K231-I341 PolarHBondContact N-O 2.95Å
232	N	95	Very high	94.9	Very high	75 Å²	75	28.3 Å²	28.3	40%	0.401	16%	0.157	S	C	.	.			trans	-70.5	112.9	164.6	-71.5	-16.7	0	0	0	109	S230 V390 N392	S230-N232 PolarHBondContact O-N 3.43Å; N232-V390 WeakPolarHBondContact CA-O 3.17Å; N232-N392 PolarHBondContact ND2-O 3.06Å; N232-N392 WeakPolarHBondContact OD1-CA 3.44Å; N232-N392 WeakPolarHBondContact OD1-CB 3.22Å; N232-N392 PolarHBondContact OD1-N 2.68Å; N232-N392 PolarHBondContact OD1-O 3.38Å
233	D	94.1	Very high	94.8	Very high	55 Å²	55	26.4 Å²	26.4	29%	0.294	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	166	-176	-145.8	-20.4	0	0	0	110.4	K231 V235 A342 V390	K231-D233 HydrophobicContact CD-CB 4.3Å; K231-D233 WeakPolarHBondContact CE-OD2 3.49Å; K231-D233 HydrophobicContact CG-CB 4.34Å; K231-D233 IonicContact NZ-OD2 2.6Å; K231-D233 PolarHBondContact NZ-OD2 3.06Å; K231-D233 PolarHBondContact O-N 3.34Å; D233-V235 HydrophobicContact CB-CG1 4.07Å; D233-A342 HydrophobicContact CB-CB 4.29Å; D233-V390 PolarHBondContact N-O 3.38Å; D233-V390 PolarHBondContact O-N 3.07Å
234	E	96.2	Very high	94.8	Very high	93 Å²	93	27.4 Å²	27.4	44%	0.435	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	93.8	170.7	-176	160.3	-145.5	0	0	108.7	Q387 L388 K389	E234-Q387 PolarHBondContact OE1-NE2 3.17Å; E234-L388 WeakPolarHBondContact CA-O 3.49Å; E234-K389 HydrophobicContact CB-CG 4.23Å; E234-K389 HydrophobicContact CG-CB 4.33Å; E234-K389 HydrophobicContact CG-CG 4.12Å; E234-K389 IonicContact OE1-NZ 3.1Å; E234-K389 PolarHBondContact OE1-NZ 3.07Å; E234-K389 IonicContact OE2-NZ 3.71Å; E234-K389 PolarHBondContact OE2-NZ 3.22Å
235	V	95.9	Very high	95	Very high	16 Å²	16	24.1 Å²	24.1	10%	0.097	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	135.1	-173.1	-62.4	0	0	0	0	110.6	D233 I264 V287 A342 Q387 L388	D233-V235 HydrophobicContact CB-CG1 4.07Å; V235-I264 HydrophobicContact CG2-CD1 4.3Å; V235-V287 HydrophobicContact CB-CB 4.39Å; V235-V287 HydrophobicContact CB-CG2 4.2Å; V235-V287 HydrophobicContact CG1-CB 4.39Å; V235-A342 HydrophobicContact CG2-CB 3.82Å; V235-Q387 WeakPolarHBondContact O-CA 3.13Å; V235-L388 HydrophobicContact CG2-CB 4.07Å; V235-L388 HydrophobicContact CG2-CD2 4.46Å; V235-L388 HydrophobicContact CG2-CG 4.43Å; V235-L388 PolarHBondContact N-O 3.39Å; V235-L388 PolarHBondContact O-N 2.94Å
236	S	94.8	Very high	95	Very high	65 Å²	65	27.8 Å²	27.8	46%	0.455	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	134	169.6	-58.2	0	0	0	0	109.9	V386	S236-V386 CarbonylContact C-O 3.54Å; S236-V386 VanDerWaalsContact CA-O 3.26Å; S236-V386 WeakPolarHBondContact CA-O 3.23Å
237	G	92.1	Very high	94.7	Very high	5 Å²	5	32.4 Å²	32.4	5%	0.052	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	169.6	-176.8	0	0	0	0	0	112.6	K262 T385 V386	G237-K262 VanDerWaalsContact CA-O 3.29Å; G237-K262 WeakPolarHBondContact CA-O 3.07Å; G237-T385 WeakPolarHBondContact O-CA 3.48Å; G237-V386 PolarHBondContact N-O 3.43Å; G237-V386 PolarHBondContact O-N 2.89Å
238	K	91.2	Very high	94.4	Very high	63 Å²	63	37 Å²	37	27%	0.274	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	130.8	175.1	-70.7	-168.4	167	-160.4	0	110.3	S263 I264 S380 S382	K238-S263 CarbonylContact O-C 3.2Å; K238-S263 VanDerWaalsContact O-CA 3.31Å; K238-S263 WeakPolarHBondContact O-CA 3.29Å; K238-S263 WeakPolarHBondContact O-CB 3.44Å; K238-I264 PolarHBondContact O-N 3.01Å; K238-S380 PolarHBondContact NZ-O 2.78Å; K238-S382 VanDerWaalsContact CE-O 3.26Å; K238-S382 WeakPolarHBondContact CE-O 3.32Å; K238-S382 PolarHBondContact NZ-O 3.12Å
239	P	92.7	Very high	94.3	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.006	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	132.5	174.3	28	-34	0	0	0	110.7	I264 I266 M358 T377 M384 V386	P239-I264 CarbonylContact C-O 3.58Å; P239-I264 WeakPolarHBondContact CA-O 3.19Å; P239-I266 HydrophobicContact CB-CD1 3.89Å; P239-M358 HydrophobicContact CB-CE 4.25Å; P239-M358 HydrophobicContact CB-CG 4.12Å; P239-M358 HydrophobicContact CB-SD 3.96Å; P239-M358 HydrophobicContact CG-CG 3.7Å; P239-M358 HydrophobicContact CG-SD 4.21Å; P239-T377 WeakPolarHBondContact O-CB 3.33Å; P239-T377 PolarHBondContact O-OG1 3.04Å; P239-M384 HydrophobicContact CG-CE 4.13Å; P239-M384 HydrophobicContact CG-SD 3.9Å; P239-V386 HydrophobicContact CB-CG2 3.86Å; P239-V386 HydrophobicContact CG-CG2 3.98Å
240	V	93.1	Very high	94.1	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.018	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	124.8	171.1	-174.7	0	0	0	0	109.5	V242 I253 V258 L260 I264 V265 I266	V240-V242 HydrophobicContact CG1-CG2 4.24Å; V240-I253 HydrophobicContact CG1-CD1 4.46Å; V240-I253 HydrophobicContact CG1-CG2 4.46Å; V240-V258 HydrophobicContact CG1-CG1 4.24Å; V240-V258 HydrophobicContact CG2-CG1 4.33Å; V240-L260 HydrophobicContact CB-CD2 3.75Å; V240-L260 HydrophobicContact CG1-CD2 3.69Å; V240-L260 HydrophobicContact CG2-CD2 4.03Å; V240-I264 PolarHBondContact N-O 3.4Å; V240-V265 CarbonylContact O-C 3.43Å; V240-V265 WeakPolarHBondContact O-CA 3.5Å; V240-I266 PolarHBondContact O-N 3.04Å
241	Y	94	Very high	93.8	Very high	1 Å²	1	41.9 Å²	41.9	0%	0.004	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	129.3	177.2	-178.4	-116.1	0	0	0	111.4	I266 R268 F292 F355 W367 C374	Y241-I266 WeakPolarHBondContact CA-O 3.46Å; Y241-I266 HydrophobicContact CD2-CB 4.26Å; Y241-I266 HydrophobicContact CD2-CG2 4.16Å; Y241-I266 VanDerWaalsContact CD2-O 3.28Å; Y241-I266 WeakPolarHBondContact CD2-O 3.49Å; Y241-R268 PolarHBondContact OH-NE 3.19Å; Y241-R268 PolarHBondContact OH-NH1 3.3Å; Y241-R268 PolarHBondContact OH-NH2 3.39Å; Y241-F292 AromaticContact CE2-CE1 3.99Å; Y241-F292 HydrophobicContact CE2-CE1 3.99Å; Y241-F292 HydrophobicContact CE2-CZ 4.08Å; Y241-F355 AromaticContact CD2-CE1 3.78Å; Y241-F355 HydrophobicContact CD2-CE1 3.78Å; Y241-F355 AromaticContact CD2-CZ 3.69Å; Y241-F355 HydrophobicContact CD2-CZ 3.69Å; Y241-F355 HydrophobicContact CE2-CE1 4.46Å; Y241-F355 AromaticContact CE2-CZ 3.93Å; Y241-F355 HydrophobicContact CE2-CZ 3.93Å; Y241-F355 AromaticContact CG-CE1 3.97Å; Y241-F355 HydrophobicContact CG-CE1 3.97Å; Y241-F355 HydrophobicContact CG-CZ 4.24Å; Y241-W367 HydrophobicContact CD1-CE3 4.13Å; Y241-W367 HydrophobicContact CD1-CZ3 4.47Å; Y241-W367 HydrophobicContact CE1-CE3 4.26Å; Y241-W367 WeakPolarHBondContact O-CZ3 3.01Å; Y241-C374 WeakPolarHBondContact CE1-SG 3.32Å
242	V	94.3	Very high	93.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.202	C	C	.	.			trans	-131.7	38.4	-174.9	-160.9	0	0	0	0	111.6	V240 Y244 G245 D249 F250 I253 L260 V265 I266 V267	V240-V242 HydrophobicContact CG1-CG2 4.24Å; V242-Y244 PolarHBondContact O-N 2.94Å; V242-G245 PolarHBondContact O-N 2.78Å; V242-D249 HydrophobicContact CG1-CB 3.96Å; V242-F250 HydrophobicContact CB-CE1 4.38Å; V242-F250 HydrophobicContact CB-CZ 4.37Å; V242-F250 HydrophobicContact CG1-CD1 3.87Å; V242-F250 HydrophobicContact CG1-CD2 4.11Å; V242-F250 HydrophobicContact CG1-CE1 3.84Å; V242-F250 HydrophobicContact CG1-CE2 4.08Å; V242-F250 HydrophobicContact CG1-CG 4Å; V242-F250 HydrophobicContact CG1-CZ 3.94Å; V242-F250 HydrophobicContact CG2-CE1 4.21Å; V242-I253 HydrophobicContact CG1-CG1 3.92Å; V242-I253 HydrophobicContact CG2-CG1 4.16Å; V242-L260 HydrophobicContact CG2-CD2 4.42Å; V242-V265 HydrophobicContact CB-CG1 4.15Å; V242-V265 HydrophobicContact CG2-CG1 3.82Å; V242-V265 HydrophobicContact CG2-CG2 4.14Å; V242-I266 PolarHBondContact N-O 3.01Å; V242-V267 HydrophobicContact CB-CG1 4.29Å
243	N	94.6	Very high	93.3	Very high	9 Å²	9	37.1 Å²	37.1	5%	0.048	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	-118.5	171.5	-178.1	38.5	0	0	0	113.3	D249 V267 R268 W367	N243-D249 HydrophobicContact CB-CB 4.35Å; N243-D249 WeakPolarHBondContact CB-OD2 3.47Å; N243-D249 PolarHBondContact ND2-OD1 2.91Å; N243-D249 PolarHBondContact ND2-OD2 2.82Å; N243-V267 CarbonylContact O-C 3.53Å; N243-V267 WeakPolarHBondContact O-CA 3.32Å; N243-R268 WeakPolarHBondContact O-CG 3.17Å; N243-R268 PolarHBondContact O-N 3.21Å; N243-R268 VanDerWaalsContact OD1-CZ 3.3Å; N243-R268 PolarHBondContact OD1-NE 3.42Å; N243-R268 VanDerWaalsContact OD1-NE 3.1Å; N243-R268 PolarHBondContact OD1-NH2 3.23Å; N243-W367 HydrophobicContact CB-CD2 3.66Å; N243-W367 VanDerWaalsContact CB-CE2 3.42Å; N243-W367 HydrophobicContact CB-CE3 4.17Å; N243-W367 HydrophobicContact CB-CG 3.93Å; N243-W367 HydrophobicContact CB-CH2 4.28Å; N243-W367 HydrophobicContact CB-CZ2 3.78Å; N243-W367 HydrophobicContact CB-CZ3 4.45Å; N243-W367 PolarHBondContact ND2-NE1 3.45Å
244	Y	94.9	Very high	92.9	Very high	21 Å²	21	40 Å²	40	8%	0.082	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	0.3	179.4	-69.8	-72.1	0	0	0	112.6	V242 Q246 D249 R268 A269 R271 K277 D297	V242-Y244 PolarHBondContact O-N 2.94Å; Y244-Q246 VanDerWaalsContact C-N 3.31Å; Y244-Q246 PolarHBondContact O-N 3.38Å; Y244-D249 PolarHBondContact N-OD2 3.32Å; Y244-D249 VanDerWaalsContact N-OD2 3.15Å; Y244-R268 HydrophobicContact CD1-CG 3.63Å; Y244-R268 HydrophobicContact CE1-CG 3.76Å; Y244-R268 HydrophobicContact CG-CG 4.25Å; Y244-A269 VanDerWaalsContact CD1-O 3.26Å; Y244-A269 WeakPolarHBondContact CD1-O 3.2Å; Y244-A269 WeakPolarHBondContact CE1-O 3.46Å; Y244-R271 HydrophobicContact CD1-CB 4.31Å; Y244-R271 HydrophobicContact CD1-CG 3.49Å; Y244-R271 VanDerWaalsContact CD1-CG 3.49Å; Y244-R271 HydrophobicContact CD2-CG 3.62Å; Y244-R271 HydrophobicContact CE1-CG 3.73Å; Y244-R271 HydrophobicContact CE2-CG 3.84Å; Y244-R271 HydrophobicContact CG-CB 4.22Å; Y244-R271 HydrophobicContact CG-CG 3.44Å; Y244-R271 VanDerWaalsContact CG-CG 3.44Å; Y244-R271 VanDerWaalsContact CZ-NE 3.33Å; Y244-R271 PolarHBondContact OH-NE 2.99Å; Y244-R271 PolarHBondContact OH-NH2 2.73Å; Y244-K277 WeakPolarHBondContact O-CG 3.23Å; Y244-K277 PolarHBondContact O-NZ 2.82Å; Y244-D297 WeakPolarHBondContact CE1-OD2 3.29Å; Y244-D297 PolarHBondContact OH-OD2 3.11Å
245	G	95.8	Very high	92.5	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.21	C	C	.	.			trans	70.7	22.1	-179	0	0	0	0	0	114.2	V242 F250 I272 N280	V242-G245 PolarHBondContact O-N 2.78Å; G245-F250 WeakPolarHBondContact O-CE2 3.34Å; G245-I272 WeakPolarHBondContact O-CD1 3.43Å; G245-N280 PolarHBondContact O-ND2 2.95Å
246	Q	95.1	Very high	92	Very high	78 Å²	78	46.5 Å²	46.5	36%	0.364	22%	0.223	S	C	.	.			trans	-74	154	175.6	-60	-175.1	-86.6	0	0	110.6	Y244 D248 D249 F250 I272	Y244-Q246 VanDerWaalsContact C-N 3.31Å; Y244-Q246 PolarHBondContact O-N 3.38Å; Q246-D248 PolarHBondContact O-N 2.86Å; Q246-D249 WeakPolarHBondContact O-CA 3.45Å; Q246-D249 WeakPolarHBondContact O-CB 3.4Å; Q246-D249 PolarHBondContact O-N 3.22Å; Q246-F250 WeakPolarHBondContact O-CD2 3.25Å; Q246-F250 PolarHBondContact O-N 2.91Å; Q246-I272 HydrophobicContact CG-CD1 4.15Å; Q246-I272 HydrophobicContact CG-CG1 4.3Å; Q246-I272 HydrophobicContact CG-CG2 4.32Å
247	K	91.6	Very high	91.5	Very high	99 Å²	99	50.8 Å²	50.8	43%	0.43	24%	0.241	S	C	.	.	H	α-helix	trans	-47.7	-39.4	176.5	-70	-172.6	-177.6	-178.8	0	112.4	F250 K251 E734	K247-F250 PolarHBondContact O-N 3.45Å; K247-K251 WeakPolarHBondContact O-CG 3.35Å; K247-K251 PolarHBondContact O-N 2.8Å; K247-E734 IonicContact NZ-OE2 2.69Å; K247-E734 PolarHBondContact NZ-OE2 2.66Å
248	D	91.6	Very high	91.1	Very high	98 Å²	98	51.4 Å²	51.4	52%	0.524	24%	0.243	S	C	.	.	H	α-helix	trans	-75.7	-22.4	179.4	-66.9	-27.7	0	0	0	114.5	Q246 K251 K252	Q246-D248 PolarHBondContact O-N 2.86Å; D248-K251 WeakPolarHBondContact OD1-CD 3.39Å; D248-K251 WeakPolarHBondContact OD1-CE 3.48Å; D248-K251 IonicContact OD1-NZ 3.61Å; D248-K251 PolarHBondContact OD1-NZ 2.61Å; D248-K252 WeakPolarHBondContact O-CG 3.38Å; D248-K252 PolarHBondContact O-N 3.09Å; D248-K252 VanDerWaalsContact O-N 3.1Å
249	D	94	Very high	90.8	Very high	5 Å²	5	52.8 Å²	52.8	3%	0.027	26%	0.261	C	S	.	.	H	α-helix	trans	-71.1	-39.1	169.1	-72	-40.2	0	0	0	110.7	V242 N243 Y244 Q246 K252 I253 W367	V242-D249 HydrophobicContact CG1-CB 3.96Å; N243-D249 HydrophobicContact CB-CB 4.35Å; N243-D249 WeakPolarHBondContact CB-OD2 3.47Å; N243-D249 PolarHBondContact ND2-OD1 2.91Å; N243-D249 PolarHBondContact ND2-OD2 2.82Å; Y244-D249 PolarHBondContact N-OD2 3.32Å; Y244-D249 VanDerWaalsContact N-OD2 3.15Å; Q246-D249 WeakPolarHBondContact O-CA 3.45Å; Q246-D249 WeakPolarHBondContact O-CB 3.4Å; Q246-D249 PolarHBondContact O-N 3.22Å; D249-K252 WeakPolarHBondContact O-CB 3.41Å; D249-K252 PolarHBondContact O-N 3.05Å; D249-K252 VanDerWaalsContact O-N 3.13Å; D249-K252 IonicContact OD1-NZ 3.19Å; D249-I253 PolarHBondContact O-N 2.79Å; D249-I253 VanDerWaalsContact O-N 3.17Å; D249-W367 HydrophobicContact CB-CH2 4.43Å; D249-W367 HydrophobicContact CB-CZ2 3.77Å; D249-W367 WeakPolarHBondContact OD1-CZ2 3.43Å; D249-W367 PolarHBondContact OD1-NE1 3.08Å
250	F	92.9	Very high	90.6	Very high	10 Å²	10	53.2 Å²	53.2	4%	0.044	26%	0.263	C	S	.	.	H	α-helix	trans	-62	-46.1	171.7	-74.5	-80.6	0	0	0	111.7	V242 G245 Q246 K247 K252 I253 E254 L260 V265 N280 A281 A284	V242-F250 HydrophobicContact CB-CE1 4.38Å; V242-F250 HydrophobicContact CB-CZ 4.37Å; V242-F250 HydrophobicContact CG1-CD1 3.87Å; V242-F250 HydrophobicContact CG1-CD2 4.11Å; V242-F250 HydrophobicContact CG1-CE1 3.84Å; V242-F250 HydrophobicContact CG1-CE2 4.08Å; V242-F250 HydrophobicContact CG1-CG 4Å; V242-F250 HydrophobicContact CG1-CZ 3.94Å; V242-F250 HydrophobicContact CG2-CE1 4.21Å; G245-F250 WeakPolarHBondContact O-CE2 3.34Å; Q246-F250 WeakPolarHBondContact O-CD2 3.25Å; Q246-F250 PolarHBondContact O-N 2.91Å; K247-F250 PolarHBondContact O-N 3.45Å; F250-K252 PolarHBondContact O-N 3.13Å; F250-K252 VanDerWaalsContact O-N 3.16Å; F250-I253 WeakPolarHBondContact O-CA 3.44Å; F250-I253 WeakPolarHBondContact O-CB 3.18Å; F250-I253 PolarHBondContact O-N 3.05Å; F250-E254 PolarHBondContact O-N 2.97Å; F250-L260 HydrophobicContact CD1-CD1 3.55Å; F250-L260 HydrophobicContact CE1-CD1 3.89Å; F250-V265 HydrophobicContact CE1-CG2 4.29Å; F250-V265 HydrophobicContact CZ-CG1 4.18Å; F250-N280 HydrophobicContact CD2-CB 3.73Å; F250-N280 HydrophobicContact CE2-CB 3.44Å; F250-N280 VanDerWaalsContact CE2-CB 3.44Å; F250-N280 HydrophobicContact CZ-CB 4.26Å; F250-A281 HydrophobicContact CE1-CB 4.32Å; F250-A281 HydrophobicContact CZ-CB 3.82Å; F250-A284 HydrophobicContact CD1-CB 3.63Å; F250-A284 HydrophobicContact CE1-CB 3.9Å
251	K	90.1	Very high	90.5	Very high	96 Å²	96	58.5 Å²	58.5	42%	0.417	29%	0.291	S	S	.	.	H	α-helix	trans	-59.2	-25.5	172.4	-64.7	172.5	-156.9	163.1	0	113.6	K247 D248 K255	K247-K251 WeakPolarHBondContact O-CG 3.35Å; K247-K251 PolarHBondContact O-N 2.8Å; D248-K251 WeakPolarHBondContact OD1-CD 3.39Å; D248-K251 WeakPolarHBondContact OD1-CE 3.48Å; D248-K251 IonicContact OD1-NZ 3.61Å; D248-K251 PolarHBondContact OD1-NZ 2.61Å; K251-K255 WeakPolarHBondContact O-CD 3.41Å; K251-K255 VanDerWaalsContact O-CG 3.26Å; K251-K255 WeakPolarHBondContact O-CG 3.49Å; K251-K255 PolarHBondContact O-N 3.2Å
252	K	90.3	Very high	90.3	Very high	61 Å²	61	65.5 Å²	65.5	27%	0.265	32%	0.322	S	S	.	.	H	α-helix	trans	-72.8	-38.5	171.8	-74.9	171.2	-175.5	179.2	0	111.5	D248 D249 F250 L256 D366 W367	D248-K252 WeakPolarHBondContact O-CG 3.38Å; D248-K252 PolarHBondContact O-N 3.09Å; D248-K252 VanDerWaalsContact O-N 3.1Å; D249-K252 WeakPolarHBondContact O-CB 3.41Å; D249-K252 PolarHBondContact O-N 3.05Å; D249-K252 VanDerWaalsContact O-N 3.13Å; D249-K252 IonicContact OD1-NZ 3.19Å; F250-K252 PolarHBondContact O-N 3.13Å; F250-K252 VanDerWaalsContact O-N 3.16Å; K252-L256 WeakPolarHBondContact O-CG 3.44Å; K252-D366 IonicContact NZ-OD2 2.67Å; K252-D366 PolarHBondContact NZ-OD2 2.79Å; K252-W367 HydrophobicContact CB-CH2 4.43Å; K252-W367 HydrophobicContact CB-CZ2 4Å; K252-W367 HydrophobicContact CD-CZ2 3.74Å
253	I	89.4	Confident	90.3	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-67.4	-44.1	176.2	-63.9	-60	0	0	0	111.7	V240 V242 D249 F250 K255 L256 V258 L260 W367 I376	V240-I253 HydrophobicContact CG1-CD1 4.46Å; V240-I253 HydrophobicContact CG1-CG2 4.46Å; V242-I253 HydrophobicContact CG1-CG1 3.92Å; V242-I253 HydrophobicContact CG2-CG1 4.16Å; D249-I253 PolarHBondContact O-N 2.79Å; D249-I253 VanDerWaalsContact O-N 3.17Å; F250-I253 WeakPolarHBondContact O-CA 3.44Å; F250-I253 WeakPolarHBondContact O-CB 3.18Å; F250-I253 PolarHBondContact O-N 3.05Å; I253-K255 VanDerWaalsContact C-N 3.28Å; I253-K255 PolarHBondContact O-N 2.92Å; I253-L256 WeakPolarHBondContact O-CA 3.24Å; I253-L256 WeakPolarHBondContact O-CB 3.47Å; I253-L256 PolarHBondContact O-N 3.28Å; I253-V258 HydrophobicContact CG2-CB 3.74Å; I253-V258 HydrophobicContact CG2-CG1 4.13Å; I253-V258 HydrophobicContact CG2-CG2 4.48Å; I253-L260 HydrophobicContact CB-CD1 4.41Å; I253-L260 HydrophobicContact CG2-CD1 3.87Å; I253-L260 HydrophobicContact CG2-CD2 4.22Å; I253-L260 HydrophobicContact CG2-CG 3.97Å; I253-W367 HydrophobicContact CD1-CH2 3.53Å; I253-W367 HydrophobicContact CD1-CZ3 3.67Å; I253-W367 HydrophobicContact CG1-CH2 3.88Å; I253-W367 HydrophobicContact CG1-CZ3 4.48Å; I253-I376 HydrophobicContact CD1-CG2 3.97Å
254	E	87	Confident	90.3	Very high	117 Å²	117	65.2 Å²	65.2	55%	0.547	32%	0.321	S	S	.	.	H	α-helix	trans	-57.9	-41.5	177.1	-68	174.7	152.6	0	0	111.9	F250 L256 N257	F250-E254 PolarHBondContact O-N 2.97Å; E254-L256 PolarHBondContact O-N 3.44Å; E254-N257 WeakPolarHBondContact O-CA 3.33Å; E254-N257 PolarHBondContact O-N 3.08Å
255	K	87.4	Confident	90.4	Very high	173 Å²	173	64.2 Å²	64.2	75%	0.752	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-13.5	175.9	-72.3	171.4	-174.3	176.6	0	114.2	K251 I253	K251-K255 WeakPolarHBondContact O-CD 3.41Å; K251-K255 VanDerWaalsContact O-CG 3.26Å; K251-K255 WeakPolarHBondContact O-CG 3.49Å; K251-K255 PolarHBondContact O-N 3.2Å; I253-K255 VanDerWaalsContact C-N 3.28Å; I253-K255 PolarHBondContact O-N 2.92Å
256	L	84.6	Confident	90.5	Very high	72 Å²	72	64.2 Å²	64.2	38%	0.377	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	5.2	171	-62.7	169.4	0	0	0	112.3	K252 I253 E254 V258 L378	K252-L256 WeakPolarHBondContact O-CG 3.44Å; I253-L256 WeakPolarHBondContact O-CA 3.24Å; I253-L256 WeakPolarHBondContact O-CB 3.47Å; I253-L256 PolarHBondContact O-N 3.28Å; E254-L256 PolarHBondContact O-N 3.44Å; L256-V258 HydrophobicContact CB-CG2 4.03Å; L256-V258 PolarHBondContact O-N 3.21Å; L256-L378 HydrophobicContact CB-CD2 4.18Å; L256-L378 HydrophobicContact CD1-CD2 4.23Å
257	N	84.1	Confident	90.6	Very high	155 Å²	155	60.6 Å²	60.6	83%	0.829	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	24.3	-176.5	-58.4	-65.4	0	0	0	114.7	E254	E254-N257 WeakPolarHBondContact O-CA 3.33Å; E254-N257 PolarHBondContact O-N 3.08Å
258	V	84	Confident	90.7	Very high	17 Å²	17	56.2 Å²	56.2	10%	0.103	28%	0.281	C	S	.	.			trans	-82.5	125	176.8	-178.2	0	0	0	0	109.4	V240 I253 L256 L378	V240-V258 HydrophobicContact CG1-CG1 4.24Å; V240-V258 HydrophobicContact CG2-CG1 4.33Å; I253-V258 HydrophobicContact CG2-CB 3.74Å; I253-V258 HydrophobicContact CG2-CG1 4.13Å; I253-V258 HydrophobicContact CG2-CG2 4.48Å; L256-V258 HydrophobicContact CB-CG2 4.03Å; L256-V258 PolarHBondContact O-N 3.21Å; V258-L378 HydrophobicContact CG2-CD2 3.54Å
259	S	85.4	Confident	90.8	Very high	93 Å²	93	51.9 Å²	51.9	65%	0.65	26%	0.258	S	S	*	.			trans	-83.4	122.5	174.7	-164.8	0	0	0	0	111
260	L	88.8	Confident	90.7	Very high	9 Å²	9	52.5 Å²	52.5	5%	0.047	27%	0.266	C	S	.	.			trans	-89.4	-4.7	176.3	-72.1	169.4	0	0	0	113.5	V240 V242 F250 I253 K262 S263 V265 A284 G285	V240-L260 HydrophobicContact CB-CD2 3.75Å; V240-L260 HydrophobicContact CG1-CD2 3.69Å; V240-L260 HydrophobicContact CG2-CD2 4.03Å; V242-L260 HydrophobicContact CG2-CD2 4.42Å; F250-L260 HydrophobicContact CD1-CD1 3.55Å; F250-L260 HydrophobicContact CE1-CD1 3.89Å; I253-L260 HydrophobicContact CB-CD1 4.41Å; I253-L260 HydrophobicContact CG2-CD1 3.87Å; I253-L260 HydrophobicContact CG2-CD2 4.22Å; I253-L260 HydrophobicContact CG2-CG 3.97Å; L260-K262 PolarHBondContact O-N 3.04Å; L260-S263 WeakPolarHBondContact CA-OG 3.48Å; L260-S263 VanDerWaalsContact O-CB 3.24Å; L260-S263 WeakPolarHBondContact O-CB 3.34Å; L260-S263 PolarHBondContact O-N 3.06Å; L260-S263 PolarHBondContact O-OG 3.08Å; L260-V265 HydrophobicContact CD2-CG2 3.99Å; L260-A284 HydrophobicContact CB-CB 4.24Å; L260-A284 VanDerWaalsContact CB-O 3.28Å; L260-A284 WeakPolarHBondContact CB-O 3.4Å; L260-A284 HydrophobicContact CD1-CB 3.72Å; L260-G285 CarbonylContact O-C 3.36Å
261	N	89.9	Confident	90.5	Very high	114 Å²	114	60.2 Å²	60.2	61%	0.61	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	117.8	178.5	-172.4	-6.9	0	0	0	110.9	S263 G285	N261-S263 VanDerWaalsContact C-N 3.26Å; N261-S263 PolarHBondContact O-N 2.85Å; N261-G285 WeakPolarHBondContact CA-O 3.31Å
262	K	90.4	Very high	90.6	Very high	149 Å²	149	57.5 Å²	57.5	65%	0.648	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	61	28.2	-171.8	-54.2	179.9	-176.4	-178	0	114.5	G237 L260 G285 V287	G237-K262 VanDerWaalsContact CA-O 3.29Å; G237-K262 WeakPolarHBondContact CA-O 3.07Å; L260-K262 PolarHBondContact O-N 3.04Å; K262-G285 PolarHBondContact N-O 3.17Å; K262-V287 HydrophobicContact CB-CG1 4.35Å; K262-V287 HydrophobicContact CG-CG1 4.18Å
263	S	93.8	Very high	90.7	Very high	3 Å²	3	56.1 Å²	56.1	2%	0.021	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	162.4	165.8	69	0	0	0	0	112.2	K238 L260 N261 A286 V287	K238-S263 CarbonylContact O-C 3.2Å; K238-S263 VanDerWaalsContact O-CA 3.31Å; K238-S263 WeakPolarHBondContact O-CA 3.29Å; K238-S263 WeakPolarHBondContact O-CB 3.44Å; L260-S263 WeakPolarHBondContact CA-OG 3.48Å; L260-S263 VanDerWaalsContact O-CB 3.24Å; L260-S263 WeakPolarHBondContact O-CB 3.34Å; L260-S263 PolarHBondContact O-N 3.06Å; L260-S263 PolarHBondContact O-OG 3.08Å; N261-S263 VanDerWaalsContact C-N 3.26Å; N261-S263 PolarHBondContact O-N 2.85Å; S263-A286 WeakPolarHBondContact O-CA 3.43Å; S263-V287 WeakPolarHBondContact O-CG2 3.24Å; S263-V287 PolarHBondContact O-N 3.44Å
264	I	95.7	Very high	91	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	117.1	159.5	-66.8	-180	0	0	0	107	V235 K238 P239 V240 V287 G288 L290 V386 L388	V235-I264 HydrophobicContact CG2-CD1 4.3Å; K238-I264 PolarHBondContact O-N 3.01Å; P239-I264 CarbonylContact C-O 3.58Å; P239-I264 WeakPolarHBondContact CA-O 3.19Å; V240-I264 PolarHBondContact N-O 3.4Å; I264-V287 HydrophobicContact CG1-CG2 4.47Å; I264-G288 CarbonylContact C-O 3.59Å; I264-G288 WeakPolarHBondContact CA-O 3.49Å; I264-L290 HydrophobicContact CG2-CD1 4.03Å; I264-L290 HydrophobicContact CG2-CG 3.9Å; I264-V386 HydrophobicContact CD1-CB 4.11Å; I264-V386 HydrophobicContact CD1-CG1 4.01Å; I264-V386 VanDerWaalsContact CD1-O 3.27Å; I264-V386 WeakPolarHBondContact CD1-O 3.33Å; I264-L388 HydrophobicContact CD1-CB 3.98Å
265	V	96.8	Very high	91.4	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	127.8	-175.7	161.5	0	0	0	0	110.3	V240 V242 F250 L260 V267 A281 A286 G288 V289 L290	V240-V265 CarbonylContact O-C 3.43Å; V240-V265 WeakPolarHBondContact O-CA 3.5Å; V242-V265 HydrophobicContact CB-CG1 4.15Å; V242-V265 HydrophobicContact CG2-CG1 3.82Å; V242-V265 HydrophobicContact CG2-CG2 4.14Å; F250-V265 HydrophobicContact CE1-CG2 4.29Å; F250-V265 HydrophobicContact CZ-CG1 4.18Å; L260-V265 HydrophobicContact CD2-CG2 3.99Å; V265-V267 HydrophobicContact CG1-CG1 3.79Å; V265-A281 HydrophobicContact CB-CB 4.21Å; V265-A281 HydrophobicContact CG1-CB 4.22Å; V265-A281 HydrophobicContact CG2-CB 4.29Å; V265-A286 HydrophobicContact CB-CB 4.35Å; V265-A286 HydrophobicContact CG2-CB 3.67Å; V265-G288 PolarHBondContact N-O 3.1Å; V265-V289 HydrophobicContact CB-CG2 4.44Å; V265-V289 CarbonylContact O-C 3.44Å; V265-V289 VanDerWaalsContact O-CA 3.31Å; V265-V289 WeakPolarHBondContact O-CA 3.42Å; V265-L290 PolarHBondContact O-N 3.16Å
266	I	96.9	Very high	91.7	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	126.5	175.3	-52.7	176.2	0	0	0	108.4	P239 V240 Y241 V242 L290 F292 L354 F355 M358	P239-I266 HydrophobicContact CB-CD1 3.89Å; V240-I266 PolarHBondContact O-N 3.04Å; Y241-I266 WeakPolarHBondContact CA-O 3.46Å; Y241-I266 HydrophobicContact CD2-CB 4.26Å; Y241-I266 HydrophobicContact CD2-CG2 4.16Å; Y241-I266 VanDerWaalsContact CD2-O 3.28Å; Y241-I266 WeakPolarHBondContact CD2-O 3.49Å; V242-I266 PolarHBondContact N-O 3.01Å; I266-L290 WeakPolarHBondContact CA-O 3.23Å; I266-L290 HydrophobicContact CG1-CB 4.47Å; I266-L290 HydrophobicContact CG1-CD1 4.47Å; I266-F292 HydrophobicContact CG2-CD1 4.09Å; I266-F292 HydrophobicContact CG2-CE1 3.9Å; I266-L354 HydrophobicContact CD1-CB 4.3Å; I266-L354 HydrophobicContact CD1-CD1 4.01Å; I266-F355 HydrophobicContact CG2-CE1 4.25Å; I266-F355 HydrophobicContact CG2-CZ 4.23Å; I266-M358 HydrophobicContact CD1-SD 4.03Å
267	V	97.1	Very high	92.3	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.006	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	154.5	-179	-73.6	0	0	0	0	111.4	V242 N243 V265 K277 V289 L290 M291 F292	V242-V267 HydrophobicContact CB-CG1 4.29Å; N243-V267 CarbonylContact O-C 3.53Å; N243-V267 WeakPolarHBondContact O-CA 3.32Å; V265-V267 HydrophobicContact CG1-CG1 3.79Å; V267-K277 HydrophobicContact CB-CD 4.47Å; V267-K277 HydrophobicContact CG2-CB 4.41Å; V267-K277 HydrophobicContact CG2-CD 3.98Å; V267-V289 HydrophobicContact CG2-CG1 3.94Å; V267-L290 WeakPolarHBondContact CG2-O 3.45Å; V267-L290 PolarHBondContact N-O 3.48Å; V267-M291 HydrophobicContact CG2-CB 4.24Å; V267-M291 HydrophobicContact CG2-CG 4.38Å; V267-M291 VanDerWaalsContact O-CA 3.3Å; V267-M291 WeakPolarHBondContact O-CA 3.5Å; V267-F292 VanDerWaalsContact O-CD1 3.26Å; V267-F292 WeakPolarHBondContact O-CD1 3.39Å; V267-F292 PolarHBondContact O-N 3.44Å
268	R	94.9	Very high	92.9	Very high	7 Å²	7	34.5 Å²	34.5	3%	0.026	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	154.1	167.1	51.8	175.5	154.3	-133.8	-1.6	111.9	Y241 N243 Y244 K277 F292 D294 W367	Y241-R268 PolarHBondContact OH-NE 3.19Å; Y241-R268 PolarHBondContact OH-NH1 3.3Å; Y241-R268 PolarHBondContact OH-NH2 3.39Å; N243-R268 WeakPolarHBondContact O-CG 3.17Å; N243-R268 PolarHBondContact O-N 3.21Å; N243-R268 VanDerWaalsContact OD1-CZ 3.3Å; N243-R268 PolarHBondContact OD1-NE 3.42Å; N243-R268 VanDerWaalsContact OD1-NE 3.1Å; N243-R268 PolarHBondContact OD1-NH2 3.23Å; Y244-R268 HydrophobicContact CD1-CG 3.63Å; Y244-R268 HydrophobicContact CE1-CG 3.76Å; Y244-R268 HydrophobicContact CG-CG 4.25Å; R268-K277 PolarHBondContact O-NZ 2.97Å; R268-F292 WeakPolarHBondContact CA-O 3.36Å; R268-F292 HydrophobicContact CB-CE1 4.28Å; R268-F292 HydrophobicContact CB-CE2 4.15Å; R268-F292 HydrophobicContact CB-CZ 3.97Å; R268-D294 HydrophobicContact CB-CB 3.94Å; R268-D294 IonicContact CZ-OD2 2.73Å; R268-D294 IonicContact NH1-OD2 2.77Å; R268-D294 PolarHBondContact NH1-OD2 3.3Å; R268-W367 PolarHBondContact NH2-O 3.19Å
269	A	94	Very high	93.5	Very high	7 Å²	7	35 Å²	35	6%	0.058	18%	0.183	C	C	.	.	S	Bend	trans	-61.9	170.8	172.6	0	0	0	0	0	112.8	Y244 M291 F292 L293 Y298	Y244-A269 VanDerWaalsContact CD1-O 3.26Å; Y244-A269 WeakPolarHBondContact CD1-O 3.2Å; Y244-A269 WeakPolarHBondContact CE1-O 3.46Å; A269-M291 HydrophobicContact CB-CE 4.35Å; A269-M291 HydrophobicContact CB-CG 4.32Å; A269-M291 HydrophobicContact CB-SD 4Å; A269-F292 PolarHBondContact N-O 2.87Å; A269-L293 HydrophobicContact CB-CD2 3.81Å; A269-Y298 HydrophobicContact CB-CE2 3.81Å
270	G	90.6	Very high	94	Very high	18 Å²	18	31.8 Å²	31.8	19%	0.186	16%	0.158	C	C	.	.	S	Bend	trans	83.6	176.1	178.7	0	0	0	0	0	115.4	I272 K277 Y298	G270-I272 PolarHBondContact O-N 3.17Å; G270-K277 PolarHBondContact O-NZ 2.83Å; G270-Y298 WeakPolarHBondContact CA-OH 3.28Å; G270-Y298 PolarHBondContact N-OH 3.15Å
271	R	88.8	Confident	94.3	Very high	172 Å²	172	31.3 Å²	31.3	65%	0.649	16%	0.156	S	C	*	.	S	Bend	trans	61.7	-49.9	-171.5	-47.9	-62.1	171.9	-173.5	-7.6	116.2	Y244	Y244-R271 HydrophobicContact CD1-CB 4.31Å; Y244-R271 HydrophobicContact CD1-CG 3.49Å; Y244-R271 VanDerWaalsContact CD1-CG 3.49Å; Y244-R271 HydrophobicContact CD2-CG 3.62Å; Y244-R271 HydrophobicContact CE1-CG 3.73Å; Y244-R271 HydrophobicContact CE2-CG 3.84Å; Y244-R271 HydrophobicContact CG-CB 4.22Å; Y244-R271 HydrophobicContact CG-CG 3.44Å; Y244-R271 VanDerWaalsContact CG-CG 3.44Å; Y244-R271 VanDerWaalsContact CZ-NE 3.33Å; Y244-R271 PolarHBondContact OH-NE 2.99Å; Y244-R271 PolarHBondContact OH-NH2 2.73Å
272	I	92.1	Very high	94.6	Very high	39 Å²	39	29.9 Å²	29.9	20%	0.2	14%	0.144	C	C	.	.	S	Bend	trans	-137.4	161.7	-179.9	56.6	164.7	0	0	0	110	G245 Q246 G270 E276 K277	G245-I272 WeakPolarHBondContact O-CD1 3.43Å; Q246-I272 HydrophobicContact CG-CD1 4.15Å; Q246-I272 HydrophobicContact CG-CG1 4.3Å; Q246-I272 HydrophobicContact CG-CG2 4.32Å; G270-I272 PolarHBondContact O-N 3.17Å; I272-E276 HydrophobicContact CB-CB 4.26Å; I272-E276 HydrophobicContact CD1-CB 4.05Å; I272-K277 HydrophobicContact CD1-CG 3.72Å; I272-K277 HydrophobicContact CG1-CG 3.84Å; I272-K277 WeakPolarHBondContact O-CE 3.26Å
273	T	93.6	Very high	94.8	Very high	32 Å²	32	30.1 Å²	30.1	20%	0.196	15%	0.148	C	C	.	.			trans	-68.3	158.4	179.7	64.4	0	0	0	0	112.4	A275 E276 K277 L557	T273-A275 VanDerWaalsContact C-N 3.3Å; T273-A275 PolarHBondContact O-N 3.37Å; T273-E276 WeakPolarHBondContact CB-OE2 3.43Å; T273-E276 WeakPolarHBondContact CG2-OE2 3.38Å; T273-E276 PolarHBondContact N-OE2 3.21Å; T273-E276 PolarHBondContact O-N 3.13Å; T273-E276 VanDerWaalsContact OG1-CG 3.28Å; T273-E276 WeakPolarHBondContact OG1-CG 3.24Å; T273-E276 PolarHBondContact OG1-N 3.24Å; T273-E276 PolarHBondContact OG1-OE2 3.44Å; T273-K277 WeakPolarHBondContact O-CG 3.36Å; T273-K277 PolarHBondContact O-N 3.18Å; T273-K277 VanDerWaalsContact O-N 3.1Å; T273-L557 HydrophobicContact CG2-CB 4.41Å
274	L	95.6	Very high	94.7	Very high	15 Å²	15	31.3 Å²	31.3	8%	0.079	16%	0.157	C	C	.	.	H	α-helix	trans	-59.4	-41.1	175.5	176.2	57.5	0	0	0	111.8	V227 E276 K277 V278 M291 V343	V227-L274 HydrophobicContact CB-CD2 4.31Å; V227-L274 HydrophobicContact CG1-CD2 3.57Å; V227-L274 HydrophobicContact CG2-CD2 3.72Å; L274-E276 VanDerWaalsContact C-N 3.3Å; L274-E276 PolarHBondContact O-N 2.89Å; L274-K277 WeakPolarHBondContact O-CB 3.35Å; L274-K277 PolarHBondContact O-N 3.37Å; L274-V278 HydrophobicContact CD1-CG2 3.93Å; L274-V278 HydrophobicContact CG-CG2 4.35Å; L274-V278 WeakPolarHBondContact O-CB 3.3Å; L274-V278 VanDerWaalsContact O-CG2 3.22Å; L274-V278 WeakPolarHBondContact O-CG2 3.17Å; L274-V278 PolarHBondContact O-N 2.81Å; L274-M291 HydrophobicContact CB-CE 4.28Å; L274-M291 HydrophobicContact CB-SD 4.32Å; L274-M291 HydrophobicContact CD1-CB 4.12Å; L274-M291 HydrophobicContact CD1-CE 4.17Å; L274-M291 HydrophobicContact CD1-SD 3.83Å; L274-M291 HydrophobicContact CD2-CE 4.09Å; L274-M291 HydrophobicContact CG-CE 4.42Å; L274-V343 HydrophobicContact CD1-CG1 3.99Å; L274-V343 HydrophobicContact CD2-CG1 4.37Å; L274-V343 HydrophobicContact CG-CG1 4.4Å
275	A	95.1	Very high	94.7	Very high	2 Å²	2	32.6 Å²	32.6	2%	0.017	17%	0.171	C	C	.	.	H	α-helix	trans	-57.2	-40.4	175.1	0	0	0	0	0	113	T273 V278 A279 H311 L312	T273-A275 VanDerWaalsContact C-N 3.3Å; T273-A275 PolarHBondContact O-N 3.37Å; A275-V278 PolarHBondContact O-N 3.19Å; A275-A279 WeakPolarHBondContact O-CB 3.31Å; A275-A279 PolarHBondContact O-N 2.75Å; A275-H311 VanDerWaalsContact CB-O 3.24Å; A275-H311 WeakPolarHBondContact CB-O 3.42Å; A275-L312 HydrophobicContact CB-CB 4.2Å; A275-L312 HydrophobicContact CB-CD1 4.01Å
276	E	94.4	Very high	94.6	Very high	44 Å²	44	32.9 Å²	32.9	21%	0.206	17%	0.173	C	C	.	.	H	α-helix	trans	-69.2	-40.7	176.5	-70.4	160.6	140.1	0	0	112.4	I272 T273 L274 V278 A279 N280 L312 K724	I272-E276 HydrophobicContact CB-CB 4.26Å; I272-E276 HydrophobicContact CD1-CB 4.05Å; T273-E276 WeakPolarHBondContact CB-OE2 3.43Å; T273-E276 WeakPolarHBondContact CG2-OE2 3.38Å; T273-E276 PolarHBondContact N-OE2 3.21Å; T273-E276 PolarHBondContact O-N 3.13Å; T273-E276 VanDerWaalsContact OG1-CG 3.28Å; T273-E276 WeakPolarHBondContact OG1-CG 3.24Å; T273-E276 PolarHBondContact OG1-N 3.24Å; T273-E276 PolarHBondContact OG1-OE2 3.44Å; L274-E276 VanDerWaalsContact C-N 3.3Å; L274-E276 PolarHBondContact O-N 2.89Å; E276-V278 VanDerWaalsContact C-N 3.28Å; E276-V278 PolarHBondContact O-N 3.04Å; E276-A279 PolarHBondContact O-N 2.74Å; E276-N280 PolarHBondContact O-N 3.07Å; E276-N280 PolarHBondContact O-ND2 2.86Å; E276-L312 HydrophobicContact CB-CD1 4.48Å; E276-L312 HydrophobicContact CG-CD1 3.74Å; E276-K724 IonicContact OE1-NZ 3.62Å; E276-K724 PolarHBondContact OE1-NZ 3.22Å
277	K	96.8	Very high	94.6	Very high	1 Å²	1	34.8 Å²	34.8	0%	0.004	19%	0.185	C	C	.	.	H	α-helix	trans	-58	-43.5	173.3	-62.7	170.2	-162.7	-78.6	0	111	Y244 V267 R268 G270 I272 T273 L274 A281 M291	Y244-K277 WeakPolarHBondContact O-CG 3.23Å; Y244-K277 PolarHBondContact O-NZ 2.82Å; V267-K277 HydrophobicContact CB-CD 4.47Å; V267-K277 HydrophobicContact CG2-CB 4.41Å; V267-K277 HydrophobicContact CG2-CD 3.98Å; R268-K277 PolarHBondContact O-NZ 2.97Å; G270-K277 PolarHBondContact O-NZ 2.83Å; I272-K277 HydrophobicContact CD1-CG 3.72Å; I272-K277 HydrophobicContact CG1-CG 3.84Å; I272-K277 WeakPolarHBondContact O-CE 3.26Å; T273-K277 WeakPolarHBondContact O-CG 3.36Å; T273-K277 PolarHBondContact O-N 3.18Å; T273-K277 VanDerWaalsContact O-N 3.1Å; L274-K277 WeakPolarHBondContact O-CB 3.35Å; L274-K277 PolarHBondContact O-N 3.37Å; K277-A281 WeakPolarHBondContact O-CB 3.37Å; K277-A281 PolarHBondContact O-N 2.62Å; K277-M291 HydrophobicContact CD-SD 3.91Å
278	V	97.1	Very high	94.6	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.006	19%	0.185	C	C	.	.	H	α-helix	trans	-70.2	-40.3	-179.1	172.8	0	0	0	0	111.7	L274 A275 E276 A281 K282 V289 P339 I341 V343	L274-V278 HydrophobicContact CD1-CG2 3.93Å; L274-V278 HydrophobicContact CG-CG2 4.35Å; L274-V278 WeakPolarHBondContact O-CB 3.3Å; L274-V278 VanDerWaalsContact O-CG2 3.22Å; L274-V278 WeakPolarHBondContact O-CG2 3.17Å; L274-V278 PolarHBondContact O-N 2.81Å; A275-V278 PolarHBondContact O-N 3.19Å; E276-V278 VanDerWaalsContact C-N 3.28Å; E276-V278 PolarHBondContact O-N 3.04Å; V278-A281 PolarHBondContact O-N 3.35Å; V278-K282 VanDerWaalsContact O-CB 3.29Å; V278-K282 WeakPolarHBondContact O-CB 3.48Å; V278-K282 PolarHBondContact O-N 3Å; V278-V289 HydrophobicContact CG2-CB 4.18Å; V278-V289 HydrophobicContact CG2-CG1 4.17Å; V278-V289 HydrophobicContact CG2-CG2 4.23Å; V278-P339 HydrophobicContact CG1-CB 3.51Å; V278-I341 HydrophobicContact CG1-CD1 4.05Å; V278-I341 HydrophobicContact CG1-CG1 3.9Å; V278-V343 HydrophobicContact CB-CG2 4.35Å; V278-V343 HydrophobicContact CG1-CG2 3.69Å; V278-V343 HydrophobicContact CG2-CB 4.3Å; V278-V343 HydrophobicContact CG2-CG1 3.62Å; V278-V343 HydrophobicContact CG2-CG2 3.61Å
279	A	95.3	Very high	94.8	Very high	28 Å²	28	34.4 Å²	34.4	23%	0.231	18%	0.183	C	C	.	.	H	α-helix	trans	-61.3	-49.2	174.4	0	0	0	0	0	111.7	A275 E276 A281 K282 E283 L312	A275-A279 WeakPolarHBondContact O-CB 3.31Å; A275-A279 PolarHBondContact O-N 2.75Å; E276-A279 PolarHBondContact O-N 2.74Å; A279-A281 VanDerWaalsContact C-N 3.34Å; A279-A281 PolarHBondContact O-N 3.07Å; A279-K282 WeakPolarHBondContact O-CB 3.49Å; A279-K282 PolarHBondContact O-N 2.83Å; A279-E283 PolarHBondContact O-N 3.21Å; A279-L312 HydrophobicContact CB-CD1 4.31Å; A279-L312 HydrophobicContact CB-CD2 3.93Å
280	N	95.8	Very high	95	Very high	25 Å²	25	34.1 Å²	34.1	13%	0.134	18%	0.181	C	C	.	.	H	α-helix	trans	-61.8	-40.7	177.2	-61.6	-22.5	0	0	0	111.7	G245 F250 E276 E283 A284	G245-N280 PolarHBondContact O-ND2 2.95Å; F250-N280 HydrophobicContact CD2-CB 3.73Å; F250-N280 HydrophobicContact CE2-CB 3.44Å; F250-N280 VanDerWaalsContact CE2-CB 3.44Å; F250-N280 HydrophobicContact CZ-CB 4.26Å; E276-N280 PolarHBondContact O-N 3.07Å; E276-N280 PolarHBondContact O-ND2 2.86Å; N280-E283 PolarHBondContact O-N 2.86Å; N280-A284 PolarHBondContact O-N 2.96Å
281	A	96.7	Very high	95.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-65.3	-39.9	177.3	0	0	0	0	0	112.9	F250 V265 K277 V278 A279 A284 G285 A286 V289	F250-A281 HydrophobicContact CE1-CB 4.32Å; F250-A281 HydrophobicContact CZ-CB 3.82Å; V265-A281 HydrophobicContact CB-CB 4.21Å; V265-A281 HydrophobicContact CG1-CB 4.22Å; V265-A281 HydrophobicContact CG2-CB 4.29Å; K277-A281 WeakPolarHBondContact O-CB 3.37Å; K277-A281 PolarHBondContact O-N 2.62Å; V278-A281 PolarHBondContact O-N 3.35Å; A279-A281 VanDerWaalsContact C-N 3.34Å; A279-A281 PolarHBondContact O-N 3.07Å; A281-A284 CarbonylContact O-C 3.6Å; A281-A284 PolarHBondContact O-N 3.24Å; A281-G285 PolarHBondContact O-N 3.16Å; A281-A286 HydrophobicContact CB-CB 4.15Å; A281-A286 VanDerWaalsContact O-CB 3.23Å; A281-A286 WeakPolarHBondContact O-CB 3.31Å; A281-A286 PolarHBondContact O-N 3.13Å; A281-V289 HydrophobicContact CB-CG2 3.54Å
282	K	95.6	Very high	95.7	Very high	83 Å²	83	25.7 Å²	25.7	36%	0.361	14%	0.144	S	C	.	.	H	α-helix	trans	-64.5	-43.3	175.1	-178.8	-169.9	-173.8	172.2	0	111.6	V278 A279 A284 G285 L338 P339 I341	V278-K282 VanDerWaalsContact O-CB 3.29Å; V278-K282 WeakPolarHBondContact O-CB 3.48Å; V278-K282 PolarHBondContact O-N 3Å; A279-K282 WeakPolarHBondContact O-CB 3.49Å; A279-K282 PolarHBondContact O-N 2.83Å; K282-A284 VanDerWaalsContact C-N 3.29Å; K282-A284 PolarHBondContact O-N 3.05Å; K282-G285 PolarHBondContact O-N 3.36Å; K282-L338 PolarHBondContact NZ-O 3.34Å; K282-P339 VanDerWaalsContact CD-O 3.26Å; K282-P339 WeakPolarHBondContact CD-O 3.48Å; K282-P339 WeakPolarHBondContact CE-O 3.49Å; K282-P339 PolarHBondContact NZ-O 2.8Å; K282-I341 HydrophobicContact CB-CD1 3.98Å; K282-I341 HydrophobicContact CG-CG2 4.31Å
283	E	93.6	Very high	95.9	Very high	155 Å²	155	24.2 Å²	24.2	72%	0.724	14%	0.136	S	C	*	.	H	α-helix	trans	-59.7	-40.3	175	-171.1	174.9	-171.7	0	0	111.2	A279 N280 G285	A279-E283 PolarHBondContact O-N 3.21Å; N280-E283 PolarHBondContact O-N 2.86Å; E283-G285 PolarHBondContact O-N 3.05Å
284	A	93.5	Very high	95.9	Very high	27 Å²	27	22.8 Å²	22.8	22%	0.223	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	2.1	172.9	0	0	0	0	0	115.1	F250 L260 N280 A281 K282	F250-A284 HydrophobicContact CD1-CB 3.63Å; F250-A284 HydrophobicContact CE1-CB 3.9Å; L260-A284 HydrophobicContact CB-CB 4.24Å; L260-A284 VanDerWaalsContact CB-O 3.28Å; L260-A284 WeakPolarHBondContact CB-O 3.4Å; L260-A284 HydrophobicContact CD1-CB 3.72Å; N280-A284 PolarHBondContact O-N 2.96Å; A281-A284 CarbonylContact O-C 3.6Å; A281-A284 PolarHBondContact O-N 3.24Å; K282-A284 VanDerWaalsContact C-N 3.29Å; K282-A284 PolarHBondContact O-N 3.05Å
285	G	94.3	Very high	95.7	Very high	28 Å²	28	23.3 Å²	23.3	29%	0.289	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	15.5	175	0	0	0	0	0	116.3	L260 N261 K262 A281 K282 E283	L260-G285 CarbonylContact O-C 3.36Å; N261-G285 WeakPolarHBondContact CA-O 3.31Å; K262-G285 PolarHBondContact N-O 3.17Å; A281-G285 PolarHBondContact O-N 3.16Å; K282-G285 PolarHBondContact O-N 3.36Å; E283-G285 PolarHBondContact O-N 3.05Å
286	A	96.1	Very high	95.4	Very high	5 Å²	5	25.5 Å²	25.5	4%	0.041	15%	0.147	C	C	.	.			trans	-67.9	147.1	172.9	0	0	0	0	0	111.8	S263 V265 A281	S263-A286 WeakPolarHBondContact O-CA 3.43Å; V265-A286 HydrophobicContact CB-CB 4.35Å; V265-A286 HydrophobicContact CG2-CB 3.67Å; A281-A286 HydrophobicContact CB-CB 4.15Å; A281-A286 VanDerWaalsContact O-CB 3.23Å; A281-A286 WeakPolarHBondContact O-CB 3.31Å; A281-A286 PolarHBondContact O-N 3.13Å
287	V	96.5	Very high	95.2	Very high	41 Å²	41	24.8 Å²	24.8	25%	0.248	15%	0.145	C	C	.	.	S	Bend	trans	-98.2	-14.2	176.7	-70.3	0	0	0	0	113.3	V235 K262 S263 I264 A342	V235-V287 HydrophobicContact CB-CB 4.39Å; V235-V287 HydrophobicContact CB-CG2 4.2Å; V235-V287 HydrophobicContact CG1-CB 4.39Å; K262-V287 HydrophobicContact CB-CG1 4.35Å; K262-V287 HydrophobicContact CG-CG1 4.18Å; S263-V287 WeakPolarHBondContact O-CG2 3.24Å; S263-V287 PolarHBondContact O-N 3.44Å; I264-V287 HydrophobicContact CG1-CG2 4.47Å; V287-A342 PolarHBondContact O-N 2.96Å
288	G	97.3	Very high	94.9	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	166.1	171.5	0	0	0	0	0	113.9	I264 V265 A342	I264-G288 CarbonylContact C-O 3.59Å; I264-G288 WeakPolarHBondContact CA-O 3.49Å; V265-G288 PolarHBondContact N-O 3.1Å; G288-A342 CarbonylContact C-O 3.52Å; G288-A342 WeakPolarHBondContact CA-O 3.25Å
289	V	98.4	Very high	94.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	133.3	-176.7	180	0	0	0	0	110.9	V265 V267 V278 A281 I341 A342 V343 Q344	V265-V289 HydrophobicContact CB-CG2 4.44Å; V265-V289 CarbonylContact O-C 3.44Å; V265-V289 VanDerWaalsContact O-CA 3.31Å; V265-V289 WeakPolarHBondContact O-CA 3.42Å; V267-V289 HydrophobicContact CG2-CG1 3.94Å; V278-V289 HydrophobicContact CG2-CB 4.18Å; V278-V289 HydrophobicContact CG2-CG1 4.17Å; V278-V289 HydrophobicContact CG2-CG2 4.23Å; A281-V289 HydrophobicContact CB-CG2 3.54Å; V289-I341 HydrophobicContact CG2-CD1 3.89Å; V289-A342 PolarHBondContact N-O 3.45Å; V289-V343 HydrophobicContact CB-CG1 4.29Å; V289-V343 WeakPolarHBondContact O-CA 3.46Å; V289-Q344 PolarHBondContact O-N 3.26Å
290	L	98.4	Very high	94	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	128.5	173.1	-61	178.7	0	0	0	110.2	V209 I264 V265 I266 V267 Q344 I346 L354 V386 L388	V209-L290 HydrophobicContact CG1-CD1 3.97Å; V209-L290 HydrophobicContact CG2-CD2 3.83Å; I264-L290 HydrophobicContact CG2-CD1 4.03Å; I264-L290 HydrophobicContact CG2-CG 3.9Å; V265-L290 PolarHBondContact O-N 3.16Å; I266-L290 WeakPolarHBondContact CA-O 3.23Å; I266-L290 HydrophobicContact CG1-CB 4.47Å; I266-L290 HydrophobicContact CG1-CD1 4.47Å; V267-L290 WeakPolarHBondContact CG2-O 3.45Å; V267-L290 PolarHBondContact N-O 3.48Å; L290-Q344 VanDerWaalsContact CA-O 3.31Å; L290-Q344 WeakPolarHBondContact CA-O 3.35Å; L290-Q344 HydrophobicContact CD2-CB 4.12Å; L290-I346 HydrophobicContact CB-CD1 4.24Å; L290-I346 HydrophobicContact CD1-CD1 4.39Å; L290-I346 HydrophobicContact CD2-CG2 4.15Å; L290-L354 HydrophobicContact CD1-CD1 3.87Å; L290-V386 HydrophobicContact CD1-CG1 4.22Å; L290-L388 HydrophobicContact CD2-CD1 4.11Å; L290-L388 HydrophobicContact CD2-CD2 4.06Å
291	M	97.9	Very high	93.7	Very high	14 Å²	14	31.4 Å²	31.4	7%	0.069	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	135.1	176.7	-171.1	178.4	72.4	0	0	112.7	V267 A269 L274 K277 Q344 T345 I346	V267-M291 HydrophobicContact CG2-CB 4.24Å; V267-M291 HydrophobicContact CG2-CG 4.38Å; V267-M291 VanDerWaalsContact O-CA 3.3Å; V267-M291 WeakPolarHBondContact O-CA 3.5Å; A269-M291 HydrophobicContact CB-CE 4.35Å; A269-M291 HydrophobicContact CB-CG 4.32Å; A269-M291 HydrophobicContact CB-SD 4Å; L274-M291 HydrophobicContact CB-CE 4.28Å; L274-M291 HydrophobicContact CB-SD 4.32Å; L274-M291 HydrophobicContact CD1-CB 4.12Å; L274-M291 HydrophobicContact CD1-CE 4.17Å; L274-M291 HydrophobicContact CD1-SD 3.83Å; L274-M291 HydrophobicContact CD2-CE 4.09Å; L274-M291 HydrophobicContact CG-CE 4.42Å; K277-M291 HydrophobicContact CD-SD 3.91Å; M291-Q344 PolarHBondContact N-O 2.89Å; M291-Q344 VanDerWaalsContact N-O 3.09Å; M291-T345 HydrophobicContact CB-CG2 4.27Å; M291-T345 HydrophobicContact CE-CG2 3.84Å; M291-T345 CarbonylContact O-C 3.52Å; M291-T345 VanDerWaalsContact O-CA 3.27Å; M291-T345 WeakPolarHBondContact O-CA 3.21Å; M291-I346 PolarHBondContact O-N 3.48Å
292	F	96.4	Very high	93.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	164.8	176.8	69.7	-85.8	0	0	0	113.3	Y241 I266 V267 R268 A269 D294 I346 S348 A351 F355 V371	Y241-F292 AromaticContact CE2-CE1 3.99Å; Y241-F292 HydrophobicContact CE2-CE1 3.99Å; Y241-F292 HydrophobicContact CE2-CZ 4.08Å; I266-F292 HydrophobicContact CG2-CD1 4.09Å; I266-F292 HydrophobicContact CG2-CE1 3.9Å; V267-F292 VanDerWaalsContact O-CD1 3.26Å; V267-F292 WeakPolarHBondContact O-CD1 3.39Å; V267-F292 PolarHBondContact O-N 3.44Å; R268-F292 WeakPolarHBondContact CA-O 3.36Å; R268-F292 HydrophobicContact CB-CE1 4.28Å; R268-F292 HydrophobicContact CB-CE2 4.15Å; R268-F292 HydrophobicContact CB-CZ 3.97Å; A269-F292 PolarHBondContact N-O 2.87Å; F292-D294 HydrophobicContact CD2-CB 4.34Å; F292-D294 HydrophobicContact CE2-CB 3.76Å; F292-I346 HydrophobicContact CB-CG1 4.04Å; F292-S348 WeakPolarHBondContact CD2-OG 3.33Å; F292-A351 HydrophobicContact CB-CB 4.13Å; F292-A351 HydrophobicContact CD1-CB 3.76Å; F292-A351 HydrophobicContact CD2-CB 4.03Å; F292-A351 HydrophobicContact CE1-CB 4.14Å; F292-A351 HydrophobicContact CE2-CB 4.39Å; F292-A351 HydrophobicContact CG-CB 3.7Å; F292-A351 HydrophobicContact CZ-CB 4.44Å; F292-F355 HydrophobicContact CE1-CE2 4.4Å; F292-F355 AromaticContact CE1-CZ 4Å; F292-F355 HydrophobicContact CE1-CZ 4Å; F292-F355 HydrophobicContact CZ-CE2 4.11Å; F292-F355 HydrophobicContact CZ-CZ 4.04Å; F292-V371 HydrophobicContact CD2-CG2 4.15Å; F292-V371 HydrophobicContact CE2-CG2 3.56Å; F292-V371 HydrophobicContact CZ-CG2 4.36Å
293	L	95.1	Very high	93.1	Very high	7 Å²	7	37.5 Å²	37.5	4%	0.037	22%	0.216	C	C	.	.			trans	-94.3	94.1	177.4	-64.4	177.6	0	0	0	110.4	A269 P295 Y298 T301 L304 P306 S348 T589	A269-L293 HydrophobicContact CB-CD2 3.81Å; L293-P295 WeakPolarHBondContact O-CD 3.41Å; L293-Y298 HydrophobicContact CB-CD2 4.2Å; L293-Y298 HydrophobicContact CB-CG 4.21Å; L293-Y298 HydrophobicContact CD2-CD1 4.2Å; L293-Y298 HydrophobicContact CD2-CD2 4.12Å; L293-Y298 HydrophobicContact CD2-CE1 4.31Å; L293-Y298 HydrophobicContact CD2-CE2 4.24Å; L293-Y298 HydrophobicContact CD2-CG 4.11Å; L293-T301 WeakPolarHBondContact CB-OG1 3.44Å; L293-T301 HydrophobicContact CD1-CG2 4.29Å; L293-T301 PolarHBondContact O-OG1 3.47Å; L293-L304 HydrophobicContact CD1-CB 4.39Å; L293-P306 HydrophobicContact CD1-CB 4.24Å; L293-P306 HydrophobicContact CD1-CG 4.15Å; L293-P306 HydrophobicContact CD2-CB 4.29Å; L293-P306 HydrophobicContact CD2-CG 3.96Å; L293-P306 HydrophobicContact CG-CB 4.37Å; L293-P306 HydrophobicContact CG-CG 3.83Å; L293-S348 PolarHBondContact O-OG 3.38Å; L293-T589 HydrophobicContact CD1-CG2 4.01Å
294	D	93.3	Very high	93.2	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.011	19%	0.187	C	C	.	.			trans	-61.9	125	-174.8	-159.9	-43.2	0	0	0	112.1	R268 F292 S296 D297 Y298 G370	R268-D294 HydrophobicContact CB-CB 3.94Å; R268-D294 IonicContact CZ-OD2 2.73Å; R268-D294 IonicContact NH1-OD2 2.77Å; R268-D294 PolarHBondContact NH1-OD2 3.3Å; F292-D294 HydrophobicContact CD2-CB 4.34Å; F292-D294 HydrophobicContact CE2-CB 3.76Å; D294-S296 PolarHBondContact O-N 3.33Å; D294-S296 PolarHBondContact OD1-N 2.9Å; D294-S296 PolarHBondContact OD1-OG 3.47Å; D294-D297 PolarHBondContact O-N 2.84Å; D294-Y298 PolarHBondContact O-N 2.83Å; D294-G370 WeakPolarHBondContact OD1-CA 3.42Å; D294-G370 PolarHBondContact OD1-N 2.83Å
295	P	92	Very high	93.3	Very high	26 Å²	26	30.2 Å²	30.2	17%	0.169	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-11.6	-179.3	-25.8	36.4	0	0	0	115.6	L293 D297 D302 V371	L293-P295 WeakPolarHBondContact O-CD 3.41Å; P295-D297 VanDerWaalsContact C-N 3.33Å; P295-D302 WeakPolarHBondContact CG-OD1 3.22Å; P295-V371 HydrophobicContact CG-CG2 4.37Å
296	S	90	Very high	93.4	Very high	49 Å²	49	29.1 Å²	29.1	34%	0.343	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-36.6	167.3	55.3	0	0	0	0	112.7	D294	D294-S296 PolarHBondContact O-N 3.33Å; D294-S296 PolarHBondContact OD1-N 2.9Å; D294-S296 PolarHBondContact OD1-OG 3.47Å
297	D	88.6	Confident	93.4	Very high	28 Å²	28	29.1 Å²	29.1	15%	0.15	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-35.1	-169.4	-62.5	19.5	0	0	0	110.4	Y244 D294 P295 E583	Y244-D297 WeakPolarHBondContact CE1-OD2 3.29Å; Y244-D297 PolarHBondContact OH-OD2 3.11Å; D294-D297 PolarHBondContact O-N 2.84Å; P295-D297 VanDerWaalsContact C-N 3.33Å; D297-E583 PolarHBondContact O-N 2.97Å
298	Y	90.4	Very high	93.3	Very high	26 Å²	26	27.6 Å²	27.6	10%	0.102	16%	0.158	C	C	.	.	S	Bend	trans	-125.8	83.7	-175.1	-56.5	-87.4	0	0	0	110.5	A269 G270 L293 D294 T301 E583	A269-Y298 HydrophobicContact CB-CE2 3.81Å; G270-Y298 WeakPolarHBondContact CA-OH 3.28Å; G270-Y298 PolarHBondContact N-OH 3.15Å; L293-Y298 HydrophobicContact CB-CD2 4.2Å; L293-Y298 HydrophobicContact CB-CG 4.21Å; L293-Y298 HydrophobicContact CD2-CD1 4.2Å; L293-Y298 HydrophobicContact CD2-CD2 4.12Å; L293-Y298 HydrophobicContact CD2-CE1 4.31Å; L293-Y298 HydrophobicContact CD2-CE2 4.24Å; L293-Y298 HydrophobicContact CD2-CG 4.11Å; D294-Y298 PolarHBondContact O-N 2.83Å; Y298-T301 WeakPolarHBondContact O-CG2 3.44Å; Y298-T301 PolarHBondContact O-OG1 3.41Å; Y298-E583 HydrophobicContact CD1-CB 3.87Å; Y298-E583 HydrophobicContact CE1-CB 3.48Å; Y298-E583 VanDerWaalsContact CE1-CB 3.48Å; Y298-E583 HydrophobicContact CE1-CG 4.15Å
299	K	88.4	Confident	93.3	Very high	109 Å²	109	28.8 Å²	28.8	47%	0.474	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	137.6	-172.3	-63.9	171.4	-166.1	157.8	0	112.8	E582 P585	K299-E582 IonicContact NZ-OE1 3.65Å; K299-E582 PolarHBondContact NZ-OE1 2.71Å; K299-P585 WeakPolarHBondContact O-CB 3.14Å
300	G	86.5	Confident	93.1	Very high	60 Å²	60	28.9 Å²	28.9	62%	0.619	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.7	24.6	175.8	0	0	0	0	0	114.3
301	T	88	Confident	92.9	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.164	C	C	.	.			trans	-106.6	14.7	-177	64.3	0	0	0	0	113.6	L293 Y298 E303 L304 P585	L293-T301 WeakPolarHBondContact CB-OG1 3.44Å; L293-T301 HydrophobicContact CD1-CG2 4.29Å; L293-T301 PolarHBondContact O-OG1 3.47Å; Y298-T301 WeakPolarHBondContact O-CG2 3.44Å; Y298-T301 PolarHBondContact O-OG1 3.41Å; T301-E303 PolarHBondContact O-N 3.44Å; T301-L304 HydrophobicContact CG2-CD1 4.1Å; T301-L304 WeakPolarHBondContact O-CB 3.29Å; T301-L304 PolarHBondContact O-N 2.8Å; T301-P585 HydrophobicContact CG2-CB 3.48Å; T301-P585 VanDerWaalsContact CG2-CB 3.48Å; T301-P585 WeakPolarHBondContact CG2-O 3.33Å
302	D	89.3	Confident	92.6	Very high	70 Å²	70	31.3 Å²	31.3	37%	0.374	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-33.5	-165.3	-58	-76.2	0	0	0	114.7	P295 S347 S348 Q349	P295-D302 WeakPolarHBondContact CG-OD1 3.22Å; D302-S347 WeakPolarHBondContact O-CB 3.45Å; D302-S348 PolarHBondContact O-N 3.41Å; D302-S348 VanDerWaalsContact O-N 3.09Å; D302-Q349 HydrophobicContact CB-CG 4.26Å; D302-Q349 PolarHBondContact O-N 3.05Å
303	E	92.4	Very high	92.3	Very high	140 Å²	140	31.7 Å²	31.7	65%	0.654	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.4	-2.8	178.7	-64.8	179.8	-177.5	0	0	113.5	T301 Q349	T301-E303 PolarHBondContact O-N 3.44Å; E303-Q349 HydrophobicContact CG-CG 4.49Å; E303-Q349 PolarHBondContact OE1-NE2 2.62Å
304	L	94.4	Very high	92.2	Very high	25 Å²	25	32.1 Å²	32.1	13%	0.131	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-86.3	129.5	-175.1	-56	-172	0	0	0	110.9	L293 T301 F586 T589 Q591	L293-L304 HydrophobicContact CD1-CB 4.39Å; T301-L304 HydrophobicContact CG2-CD1 4.1Å; T301-L304 WeakPolarHBondContact O-CB 3.29Å; T301-L304 PolarHBondContact O-N 2.8Å; L304-F586 HydrophobicContact CD1-CD1 3.92Å; L304-F586 HydrophobicContact CD1-CE1 4.28Å; L304-T589 HydrophobicContact CB-CG2 4.27Å; L304-T589 HydrophobicContact CD1-CG2 4.29Å; L304-Q591 HydrophobicContact CD1-CB 4.07Å; L304-Q591 HydrophobicContact CD1-CG 3.9Å; L304-Q591 HydrophobicContact CD2-CG 3.66Å; L304-Q591 HydrophobicContact CG-CG 4.47Å
305	V	95.9	Very high	92.1	Very high	5 Å²	5	32 Å²	32	3%	0.03	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-103.2	118.9	168.8	-166.7	0	0	0	0	107.9	P223 A225 T345	P223-V305 HydrophobicContact CB-CG1 4.13Å; P223-V305 HydrophobicContact CB-CG2 4.43Å; A225-V305 HydrophobicContact CB-CB 4.06Å; A225-V305 HydrophobicContact CB-CG1 3.8Å; A225-V305 WeakPolarHBondContact CB-O 3.42Å; V305-T345 VanDerWaalsContact CG1-C 3.47Å; V305-T345 VanDerWaalsContact CG1-O 3.25Å; V305-T345 WeakPolarHBondContact CG1-O 3.5Å
306	P	95.7	Very high	92.1	Very high	5 Å²	5	30.9 Å²	30.9	3%	0.032	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-76.1	151.1	174.6	31.6	-34.7	0	0	0	111.2	A225 L293 T345 D588 T589	A225-P306 VanDerWaalsContact CB-O 3.3Å; A225-P306 WeakPolarHBondContact CB-O 3.47Å; L293-P306 HydrophobicContact CD1-CB 4.24Å; L293-P306 HydrophobicContact CD1-CG 4.15Å; L293-P306 HydrophobicContact CD2-CB 4.29Å; L293-P306 HydrophobicContact CD2-CG 3.96Å; L293-P306 HydrophobicContact CG-CB 4.37Å; L293-P306 HydrophobicContact CG-CG 3.83Å; P306-T345 HydrophobicContact CG-CG2 3.89Å; P306-T345 WeakPolarHBondContact O-CB 3.49Å; P306-T345 WeakPolarHBondContact O-CG2 3.5Å; P306-T345 PolarHBondContact O-OG1 3.32Å; P306-D588 CarbonylContact C-O 3.56Å; P306-D588 WeakPolarHBondContact CA-O 3.35Å; P306-T589 HydrophobicContact CB-CG2 4.38Å
307	F	96.6	Very high	92.1	Very high	4 Å²	4	28.6 Å²	28.6	2%	0.018	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-73.5	167.5	159.3	171.6	-95.4	0	0	0	110.5	Y226 A228 W425 E470 Y471 D588	Y226-F307 HydrophobicContact CD1-CD2 4.36Å; Y226-F307 HydrophobicContact CD2-CE2 4.37Å; Y226-F307 HydrophobicContact CE1-CD2 4.07Å; Y226-F307 HydrophobicContact CE1-CE2 4.09Å; Y226-F307 HydrophobicContact CE2-CD2 4.39Å; Y226-F307 AromaticContact CE2-CE2 3.77Å; Y226-F307 HydrophobicContact CE2-CE2 3.77Å; Y226-F307 AromaticContact CZ-CE2 3.62Å; Y226-F307 WeakPolarHBondContact O-CD2 3.43Å; A228-F307 HydrophobicContact CB-CE2 4.07Å; A228-F307 HydrophobicContact CB-CZ 3.86Å; F307-W425 HydrophobicContact CB-CB 4.04Å; F307-W425 HydrophobicContact CB-CD2 3.62Å; F307-W425 HydrophobicContact CB-CE3 3.61Å; F307-W425 HydrophobicContact CB-CG 3.79Å; F307-W425 HydrophobicContact CB-CZ3 4.3Å; F307-W425 HydrophobicContact CD1-CB 4.09Å; F307-W425 HydrophobicContact CD2-CB 4.31Å; F307-W425 AromaticContact CD2-CD1 3.93Å; F307-W425 HydrophobicContact CD2-CD2 4.42Å; F307-W425 AromaticContact CD2-CG 3.96Å; F307-W425 HydrophobicContact CD2-CG 3.96Å; F307-W425 HydrophobicContact CG-CB 3.86Å; F307-W425 HydrophobicContact CG-CD2 4.18Å; F307-W425 AromaticContact CG-CG 3.82Å; F307-W425 HydrophobicContact CG-CG 3.82Å; F307-E470 HydrophobicContact CD1-CG 4.38Å; F307-E470 HydrophobicContact CE1-CB 3.88Å; F307-E470 HydrophobicContact CE1-CG 4.14Å; F307-Y471 HydrophobicContact CZ-CE1 4.26Å; F307-D588 PolarHBondContact N-O 3.35Å
308	G	95.2	Very high	92.1	Very high	10 Å²	10	28.1 Å²	28.1	10%	0.103	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.1	175	167.3	0	0	0	0	0	112.2	V227 A228	V227-G308 CarbonylContact C-O 3.55Å; V227-G308 VanDerWaalsContact CA-O 3.3Å; V227-G308 WeakPolarHBondContact CA-O 3.46Å; A228-G308 PolarHBondContact N-O 2.93Å
309	H	95.6	Very high	91.8	Very high	25 Å²	25	27.2 Å²	27.2	12%	0.116	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	149.1	171.6	70.4	104.1	0	0	0	111.1	A228 Y229 H311 E470	A228-H309 HydrophobicContact CB-CB 4.19Å; A228-H309 WeakPolarHBondContact O-CA 3.3Å; Y229-H309 HydrophobicContact CD2-CB 4.22Å; Y229-H309 HydrophobicContact CE2-CB 4.38Å; H309-H311 PolarHBondContact ND1-O 2.88Å; H309-E470 PolarHBondContact CD2-O 3.31Å
310	A	95.8	Very high	91.6	Very high	2 Å²	2	22.8 Å²	22.8	2%	0.017	14%	0.136	C	C	.	.			trans	-109.8	6.2	179.6	0	0	0	0	0	113.9	V227 A228 L312 P339 V343	V227-A310 HydrophobicContact CG1-CB 3.73Å; A228-A310 PolarHBondContact O-N 2.9Å; A310-L312 PolarHBondContact O-N 3.47Å; A310-P339 HydrophobicContact CB-CB 4.16Å; A310-P339 HydrophobicContact CB-CG 3.85Å; A310-V343 HydrophobicContact CB-CB 4.49Å; A310-V343 HydrophobicContact CB-CG2 4.16Å
311	H	93.9	Very high	91.2	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.005	12%	0.116	C	C	.	.			trans	-74.4	120.1	173.2	173.3	-135.7	0	0	0	110.8	Y229 A275 H309 G313 S335	Y229-H311 HydrophobicContact CD2-CB 3.52Å; Y229-H311 HydrophobicContact CE2-CB 3.96Å; Y229-H311 HydrophobicContact CG-CB 4.22Å; A275-H311 VanDerWaalsContact CB-O 3.24Å; A275-H311 WeakPolarHBondContact CB-O 3.42Å; H309-H311 PolarHBondContact ND1-O 2.88Å; H311-G313 PolarHBondContact O-N 3.19Å; H311-S335 PolarHBondContact NE2-OG 3.32Å
312	L	91.9	Very high	90.9	Very high	64 Å²	64	23.6 Å²	23.6	34%	0.335	13%	0.128	S	C	.	.	S	Bend	trans	-83.1	58.9	175.8	-167.9	76.8	0	0	0	110.6	A275 E276 A279 A310 G337 L557	A275-L312 HydrophobicContact CB-CB 4.2Å; A275-L312 HydrophobicContact CB-CD1 4.01Å; E276-L312 HydrophobicContact CB-CD1 4.48Å; E276-L312 HydrophobicContact CG-CD1 3.74Å; A279-L312 HydrophobicContact CB-CD1 4.31Å; A279-L312 HydrophobicContact CB-CD2 3.93Å; A310-L312 PolarHBondContact O-N 3.47Å; L312-G337 PolarHBondContact N-O 3.38Å; L312-L557 HydrophobicContact CD1-CD1 3.89Å; L312-L557 HydrophobicContact CG-CD1 4.37Å
313	G	90.1	Very high	90.6	Very high	8 Å²	8	20.8 Å²	20.8	8%	0.082	11%	0.113	C	C	.	.	S	Bend	trans	-172.2	-163	-176.8	0	0	0	0	0	111.7	H311	H311-G313 PolarHBondContact O-N 3.19Å
314	T	91.9	Very high	90.1	Very high	16 Å²	16	14.1 Å²	14.1	10%	0.098	8%	0.082	C	C	.	.	S	Bend	trans	-139.3	157.7	175.5	54.5	0	0	0	0	109.1	G472 T473 L557 F562 P563	T314-G472 CarbonylContact C-O 3.52Å; T314-G472 WeakPolarHBondContact CA-O 3.36Å; T314-T473 WeakPolarHBondContact CB-OG1 3.36Å; T314-T473 VanDerWaalsContact CG2-OG1 3.31Å; T314-T473 WeakPolarHBondContact CG2-OG1 3.42Å; T314-L557 HydrophobicContact CG2-CD2 4.15Å; T314-F562 HydrophobicContact CG2-CD1 4.34Å; T314-P563 HydrophobicContact CG2-CB 4.45Å; T314-P563 HydrophobicContact CG2-CG 4.45Å
315	G	92	Very high	89.1	Confident	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.09	C	C	.	.	S	Bend	trans	83.9	178.7	-174.6	0	0	0	0	0	113.5	P317 G472 T477 E478	G315-P317 WeakPolarHBondContact O-CD 3.02Å; G315-G472 PolarHBondContact N-O 2.68Å; G315-T477 PolarHBondContact N-OG1 3.44Å; G315-E478 WeakPolarHBondContact CA-OE1 3.36Å
316	D	91.9	Very high	87.8	Confident	2 Å²	2	19.7 Å²	19.7	1%	0.011	11%	0.109	C	C	.	.			trans	-64.5	117.9	172.5	-175.9	-26.4	0	0	0	109.1	I197 K198 F318 T319 V474 E478	I197-D316 WeakPolarHBondContact CA-OD2 3.46Å; I197-D316 HydrophobicContact CB-CB 4.41Å; I197-D316 WeakPolarHBondContact CB-OD2 3.18Å; I197-D316 HydrophobicContact CG2-CB 4.18Å; K198-D316 PolarHBondContact N-OD2 2.79Å; D316-F318 PolarHBondContact O-N 2.79Å; D316-F318 WeakPolarHBondContact OD1-CB 3.19Å; D316-F318 WeakPolarHBondContact OD1-CD2 3.24Å; D316-F318 PolarHBondContact OD1-N 2.77Å; D316-T319 PolarHBondContact O-N 2.89Å; D316-T319 VanDerWaalsContact O-N 3.07Å; D316-V474 HydrophobicContact CB-CG1 4.27Å; D316-E478 PolarHBondContact N-OE1 2.87Å
317	P	89.6	Confident	85.9	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	2.1	-179.5	26.5	-32.6	0	0	0	114.2	Y229 G315 S335 L338	Y229-P317 HydrophobicContact CD1-CG 3.67Å; Y229-P317 HydrophobicContact CE1-CG 3.36Å; Y229-P317 HydrophobicContact CE2-CG 4.25Å; Y229-P317 HydrophobicContact CG-CG 4.24Å; G315-P317 WeakPolarHBondContact O-CD 3.02Å; P317-S335 WeakPolarHBondContact O-CB 3.34Å; P317-S335 PolarHBondContact O-N 3.4Å; P317-L338 HydrophobicContact CB-CD2 3.87Å; P317-L338 HydrophobicContact CB-CG 4.18Å; P317-L338 HydrophobicContact CG-CD2 4.21Å
318	F	87.8	Confident	83.9	Confident	18 Å²	18	27.3 Å²	27.3	8%	0.079	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-3.3	175.3	-59.7	-84.2	0	0	0	113.6	K198 D316 P332 V333 E334 L338 M394	K198-F318 HydrophobicContact CB-CB 4.4Å; K198-F318 HydrophobicContact CB-CD2 3.63Å; K198-F318 HydrophobicContact CB-CE2 4.26Å; K198-F318 HydrophobicContact CB-CG 4.19Å; K198-F318 HydrophobicContact CD-CD1 4.26Å; K198-F318 HydrophobicContact CD-CD2 3.9Å; K198-F318 HydrophobicContact CD-CE1 4.49Å; K198-F318 HydrophobicContact CD-CE2 4.17Å; K198-F318 HydrophobicContact CD-CG 3.95Å; K198-F318 HydrophobicContact CD-CZ 4.45Å; K198-F318 HydrophobicContact CG-CD2 3.52Å; K198-F318 HydrophobicContact CG-CE2 3.7Å; K198-F318 HydrophobicContact CG-CG 4.09Å; K198-F318 HydrophobicContact CG-CZ 4.38Å; D316-F318 PolarHBondContact O-N 2.79Å; D316-F318 WeakPolarHBondContact OD1-CB 3.19Å; D316-F318 WeakPolarHBondContact OD1-CD2 3.24Å; D316-F318 PolarHBondContact OD1-N 2.77Å; F318-P332 HydrophobicContact CB-CB 3.8Å; F318-P332 HydrophobicContact CD1-CB 4.09Å; F318-P332 HydrophobicContact CG-CB 4.36Å; F318-V333 CarbonylContact C-O 3.25Å; F318-V333 WeakPolarHBondContact CA-O 3.42Å; F318-V333 PolarHBondContact O-N 2.91Å; F318-E334 HydrophobicContact CD1-CG 4.06Å; F318-E334 HydrophobicContact CE1-CG 3.92Å; F318-L338 HydrophobicContact CE1-CD1 4.39Å; F318-L338 HydrophobicContact CZ-CD1 4.34Å; F318-M394 HydrophobicContact CE2-CE 3.44Å; F318-M394 VanDerWaalsContact CE2-CE 3.44Å; F318-M394 HydrophobicContact CZ-CE 3.69Å
319	T	85.4	Confident	82.2	Confident	8 Å²	8	32.7 Å²	32.7	5%	0.049	18%	0.175	C	C	.	.	S	Bend	trans	-133.8	51.1	170.8	59.5	0	0	0	0	113.6	D316 G321 F322	D316-T319 PolarHBondContact O-N 2.89Å; D316-T319 VanDerWaalsContact O-N 3.07Å; T319-G321 PolarHBondContact O-N 2.92Å; T319-F322 WeakPolarHBondContact CB-O 3.41Å; T319-F322 HydrophobicContact CG2-CD2 4.36Å; T319-F322 HydrophobicContact CG2-CE2 3.61Å; T319-F322 HydrophobicContact CG2-CZ 3.96Å; T319-F322 PolarHBondContact O-N 2.91Å; T319-F322 PolarHBondContact OG1-O 2.84Å
320	P	83.3	Confident	80.5	Confident	15 Å²	15	36.3 Å²	36.3	10%	0.097	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	120.9	-173.9	27	-35.8	0	0	0	113.1	F322 V333	P320-F322 WeakPolarHBondContact O-CD1 3.39Å; P320-V333 WeakPolarHBondContact CD-O 3.48Å; P320-V333 HydrophobicContact CG-CG1 4.43Å
321	G	77.9	Confident	78.9	Confident	19 Å²	19	41.1 Å²	41.1	20%	0.196	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.8	7.7	176.2	0	0	0	0	0	115.1	T319 E481	T319-G321 PolarHBondContact O-N 2.92Å; G321-E481 VanDerWaalsContact CA-CD 3.48Å; G321-E481 WeakPolarHBondContact CA-OE1 3.39Å; G321-E481 VanDerWaalsContact N-CD 3.34Å; G321-E481 PolarHBondContact N-OE1 3.25Å; G321-E481 PolarHBondContact N-OE2 2.94Å
322	F	81.6	Confident	77.7	Confident	59 Å²	59	44.5 Å²	44.5	26%	0.259	24%	0.244	S	C	.	.	S	Bend	trans	-151.5	133.8	175.9	60.6	-83.1	0	0	0	111.4	T319 P320 S324 V333 E481	T319-F322 WeakPolarHBondContact CB-O 3.41Å; T319-F322 HydrophobicContact CG2-CD2 4.36Å; T319-F322 HydrophobicContact CG2-CE2 3.61Å; T319-F322 HydrophobicContact CG2-CZ 3.96Å; T319-F322 PolarHBondContact O-N 2.91Å; T319-F322 PolarHBondContact OG1-O 2.84Å; P320-F322 WeakPolarHBondContact O-CD1 3.39Å; F322-S324 PolarHBondContact O-N 2.98Å; F322-V333 HydrophobicContact CZ-CG2 4.43Å; F322-E481 WeakPolarHBondContact CA-OE2 3.31Å; F322-E481 PolarHBondContact N-OE2 2.97Å
323	P	84.2	Confident	77	Confident	10 Å²	10	44 Å²	44	7%	0.065	24%	0.244	C	C	.	.			trans	-60.3	135.6	-170.8	29.5	-39.6	0	0	0	112.2	M1 F325	M1-P323 HydrophobicContact CE-CB 3.75Å; M1-P323 HydrophobicContact CE-CG 4.08Å; M1-P323 HydrophobicContact SD-CB 4.32Å; M1-P323 HydrophobicContact SD-CG 4.2Å; P323-F325 HydrophobicContact CG-CZ 4.26Å; P323-F325 WeakPolarHBondContact O-CD2 3.4Å; P323-F325 WeakPolarHBondContact O-CE2 3.27Å; P323-F325 PolarHBondContact O-N 2.94Å
324	S	81.3	Confident	76.6	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.007	27%	0.267	C	S	.	.			trans	-59.5	127.5	-177.4	49.9	0	0	0	0	113.6	M1 Y196 I197 F322 E478	M1-S324 WeakPolarHBondContact CE-O 3.17Å; Y196-S324 WeakPolarHBondContact O-CB 3.47Å; I197-S324 VanDerWaalsContact CG2-OG 3.24Å; I197-S324 WeakPolarHBondContact CG2-OG 3.26Å; F322-S324 PolarHBondContact O-N 2.98Å; S324-E478 WeakPolarHBondContact CB-OE2 3.36Å; S324-E478 PolarHBondContact N-OE2 3.49Å; S324-E478 PolarHBondContact OG-OE2 2.99Å
325	F	72.9	Confident	76.2	Confident	68 Å²	68	49.5 Å²	49.5	30%	0.298	27%	0.268	S	S	.	.			trans	-106.8	157.3	173.4	-58.7	-80.4	0	0	0	110.1	M1 P323 H327 F330	M1-F325 HydrophobicContact CE-CD1 3.67Å; M1-F325 HydrophobicContact CE-CE1 3.58Å; M1-F325 HydrophobicContact CE-CG 4.35Å; M1-F325 HydrophobicContact CE-CZ 4.18Å; M1-F325 HydrophobicContact SD-CD1 4.23Å; M1-F325 HydrophobicContact SD-CE1 3.62Å; M1-F325 HydrophobicContact SD-CZ 4.24Å; P323-F325 HydrophobicContact CG-CZ 4.26Å; P323-F325 WeakPolarHBondContact O-CD2 3.4Å; P323-F325 WeakPolarHBondContact O-CE2 3.27Å; P323-F325 PolarHBondContact O-N 2.94Å; F325-H327 PolarHBondContact O-N 2.89Å; F325-H327 PolarHBondContact O-ND1 3.3Å; F325-H327 VanDerWaalsContact O-ND1 3.12Å; F325-F330 HydrophobicContact CB-CD2 4.33Å; F325-F330 AromaticContact CD2-CD2 3.89Å; F325-F330 HydrophobicContact CD2-CD2 3.89Å; F325-F330 AromaticContact CD2-CE2 3.88Å; F325-F330 HydrophobicContact CD2-CE2 3.88Å; F325-F330 HydrophobicContact CE2-CE2 4.25Å; F325-F330 HydrophobicContact CG-CD2 4.32Å; F325-F330 HydrophobicContact CG-CE2 4.3Å
326	N	68.3	Low	75.7	Confident	78 Å²	78	54.7 Å²	54.7	42%	0.417	30%	0.304	S	S	.	.			trans	-47.3	115.5	167.9	-179.5	-41.6	0	0	0	109.5	Y196 T328 Q329	Y196-N326 HydrophobicContact CD2-CB 4.27Å; Y196-N326 HydrophobicContact CG-CB 4.36Å; N326-T328 PolarHBondContact O-N 3.27Å; N326-T328 PolarHBondContact OD1-N 3.34Å; N326-T328 PolarHBondContact OD1-OG1 2.66Å; N326-Q329 PolarHBondContact O-N 3.35Å
327	H	57.3	Low	75.4	Confident	41 Å²	41	55 Å²	55	19%	0.19	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	8.2	-163.1	-51.7	-47	0	0	0	115.4	Y196 F325 Q329 D396	Y196-H327 PolarHBondContact O-CE1 2.88Å; F325-H327 PolarHBondContact O-N 2.89Å; F325-H327 PolarHBondContact O-ND1 3.3Å; F325-H327 VanDerWaalsContact O-ND1 3.12Å; H327-Q329 VanDerWaalsContact C-N 3.31Å; H327-D396 IonicContact CD2-OD1 3.16Å; H327-D396 PolarHBondContact CD2-OD1 3.14Å; H327-D396 IonicContact NE2-OD1 2.64Å
328	T	54.9	Low	75.5	Confident	129 Å²	129	55.7 Å²	55.7	79%	0.791	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-17.9	168.2	50.9	0	0	0	0	113.4	N326	N326-T328 PolarHBondContact O-N 3.27Å; N326-T328 PolarHBondContact OD1-N 3.34Å; N326-T328 PolarHBondContact OD1-OG1 2.66Å
329	Q	57.9	Low	75.7	Confident	122 Å²	122	55.2 Å²	55.2	57%	0.57	31%	0.31	S	S	*	.	S	Bend	trans	-102.1	-24.5	-171.9	-168.7	172.8	-23.2	0	0	115.2	N326 H327	N326-Q329 PolarHBondContact O-N 3.35Å; H327-Q329 VanDerWaalsContact C-N 3.31Å
330	F	61	Low	76.1	Confident	102 Å²	102	59.2 Å²	59.2	45%	0.447	33%	0.328	S	S	.	.	S	Bend	trans	-139.2	140.4	-179.6	-65.9	-78.7	0	0	0	110.9	F325	F325-F330 HydrophobicContact CB-CD2 4.33Å; F325-F330 AromaticContact CD2-CD2 3.89Å; F325-F330 HydrophobicContact CD2-CD2 3.89Å; F325-F330 AromaticContact CD2-CE2 3.88Å; F325-F330 HydrophobicContact CD2-CE2 3.88Å; F325-F330 HydrophobicContact CE2-CE2 4.25Å; F325-F330 HydrophobicContact CG-CD2 4.32Å; F325-F330 HydrophobicContact CG-CE2 4.3Å
331	P	61.8	Low	76.7	Confident	103 Å²	103	59.3 Å²	59.3	67%	0.669	33%	0.328	S	S	*	.			trans	-67.8	139.3	171	29.9	-33.6	0	0	0	109.9
332	P	69.4	Low	77.6	Confident	71 Å²	71	58.4 Å²	58.4	46%	0.461	32%	0.318	S	S	.	.			trans	-64	143.1	176.8	27.1	-34.3	0	0	0	111.2	F318	F318-P332 HydrophobicContact CB-CB 3.8Å; F318-P332 HydrophobicContact CD1-CB 4.09Å; F318-P332 HydrophobicContact CG-CB 4.36Å
333	V	75.8	Confident	78.4	Confident	54 Å²	54	55.6 Å²	55.6	33%	0.327	31%	0.306	S	S	.	.			trans	-112.2	107.2	175.2	178.5	0	0	0	0	107.7	F318 P320 F322 S335	F318-V333 CarbonylContact C-O 3.25Å; F318-V333 WeakPolarHBondContact CA-O 3.42Å; F318-V333 PolarHBondContact O-N 2.91Å; P320-V333 WeakPolarHBondContact CD-O 3.48Å; P320-V333 HydrophobicContact CG-CG1 4.43Å; F322-V333 HydrophobicContact CZ-CG2 4.43Å; V333-S335 PolarHBondContact O-N 2.69Å
334	E	82.3	Confident	79.1	Confident	124 Å²	124	55.1 Å²	55.1	58%	0.579	30%	0.303	S	S	*	.			trans	-62.9	125.4	-179	-67.5	-166.1	175.3	0	0	111.8	F318 L338 H340	F318-E334 HydrophobicContact CD1-CG 4.06Å; F318-E334 HydrophobicContact CE1-CG 3.92Å; E334-L338 HydrophobicContact CB-CD1 4.05Å; E334-L338 HydrophobicContact CG-CD1 4.33Å; E334-H340 IonicContact OE2-CE1 3.84Å
335	S	83	Confident	79.9	Confident	16 Å²	16	55.1 Å²	55.1	11%	0.112	30%	0.303	C	S	.	.			trans	-66.3	132.7	175.5	-179.4	0	0	0	0	110.8	H311 P317 V333 G337 L338	H311-S335 PolarHBondContact NE2-OG 3.32Å; P317-S335 WeakPolarHBondContact O-CB 3.34Å; P317-S335 PolarHBondContact O-N 3.4Å; V333-S335 PolarHBondContact O-N 2.69Å; S335-G337 PolarHBondContact O-N 3.49Å; S335-G337 PolarHBondContact OG-N 3.41Å; S335-L338 WeakPolarHBondContact O-CB 3.38Å; S335-L338 WeakPolarHBondContact O-CG 3.43Å; S335-L338 PolarHBondContact O-N 3.25Å
336	S	81.4	Confident	81.1	Confident	108 Å²	108	51.9 Å²	51.9	76%	0.755	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-17.7	172.7	53.3	0	0	0	0	113.8	L338	S336-L338 VanDerWaalsContact C-N 3.28Å; S336-L338 PolarHBondContact O-N 2.04Å
337	G	86.4	Confident	82.4	Confident	9 Å²	9	48.3 Å²	48.3	9%	0.093	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-1.2	173.5	0	0	0	0	0	115.1	L312 S335	L312-G337 PolarHBondContact N-O 3.38Å; S335-G337 PolarHBondContact O-N 3.49Å; S335-G337 PolarHBondContact OG-N 3.41Å
338	L	91.6	Very high	84.2	Confident	14 Å²	14	46.5 Å²	46.5	7%	0.073	26%	0.262	C	S	.	.			trans	-68.9	143.7	175.4	-74.3	171.7	0	0	0	111.6	Y229 K282 P317 F318 E334 S335 S336 H340	Y229-L338 HydrophobicContact CG-CD2 4.33Å; K282-L338 PolarHBondContact NZ-O 3.34Å; P317-L338 HydrophobicContact CB-CD2 3.87Å; P317-L338 HydrophobicContact CB-CG 4.18Å; P317-L338 HydrophobicContact CG-CD2 4.21Å; F318-L338 HydrophobicContact CE1-CD1 4.39Å; F318-L338 HydrophobicContact CZ-CD1 4.34Å; E334-L338 HydrophobicContact CB-CD1 4.05Å; E334-L338 HydrophobicContact CG-CD1 4.33Å; S335-L338 WeakPolarHBondContact O-CB 3.38Å; S335-L338 WeakPolarHBondContact O-CG 3.43Å; S335-L338 PolarHBondContact O-N 3.25Å; S336-L338 VanDerWaalsContact C-N 3.28Å; S336-L338 PolarHBondContact O-N 2.04Å; L338-H340 PolarHBondContact O-CD2 3.48Å
339	P	91.9	Very high	86.1	Confident	8 Å²	8	45.3 Å²	45.3	5%	0.052	25%	0.247	C	C	.	.			trans	-71.9	-39.4	-170.3	28.2	-36	0	0	0	112.5	Y229 V278 K282 A310 I341 V343	Y229-P339 VanDerWaalsContact O-CD 3.26Å; Y229-P339 WeakPolarHBondContact O-CD 3.25Å; Y229-P339 WeakPolarHBondContact O-CG 3.49Å; V278-P339 HydrophobicContact CG1-CB 3.51Å; K282-P339 VanDerWaalsContact CD-O 3.26Å; K282-P339 WeakPolarHBondContact CD-O 3.48Å; K282-P339 WeakPolarHBondContact CE-O 3.49Å; K282-P339 PolarHBondContact NZ-O 2.8Å; A310-P339 HydrophobicContact CB-CB 4.16Å; A310-P339 HydrophobicContact CB-CG 3.85Å; P339-I341 PolarHBondContact O-N 3.07Å; P339-I341 VanDerWaalsContact O-N 3.09Å; P339-V343 HydrophobicContact CB-CG2 4.46Å
340	H	93.4	Very high	87.9	Confident	92 Å²	92	39.7 Å²	39.7	43%	0.426	22%	0.221	S	C	.	.			trans	54.3	17.1	-173.6	-51.8	-82.1	0	0	0	115.3	K231 E334 L338	K231-H340 VanDerWaalsContact CD-O 3.26Å; K231-H340 WeakPolarHBondContact CD-O 3.37Å; E334-H340 IonicContact OE2-CE1 3.84Å; L338-H340 PolarHBondContact O-CD2 3.48Å
341	I	96.7	Very high	89.5	Confident	18 Å²	18	34.8 Å²	34.8	9%	0.092	20%	0.2	C	C	.	.	S	Bend	trans	-129.4	161.8	167.1	62.7	168.5	0	0	0	109.9	K231 V278 K282 V289 P339	K231-I341 VanDerWaalsContact CB-O 3.3Å; K231-I341 WeakPolarHBondContact CB-O 3.18Å; K231-I341 PolarHBondContact N-O 2.95Å; V278-I341 HydrophobicContact CG1-CD1 4.05Å; V278-I341 HydrophobicContact CG1-CG1 3.9Å; K282-I341 HydrophobicContact CB-CD1 3.98Å; K282-I341 HydrophobicContact CG-CG2 4.31Å; V289-I341 HydrophobicContact CG2-CD1 3.89Å; P339-I341 PolarHBondContact O-N 3.07Å; P339-I341 VanDerWaalsContact O-N 3.09Å
342	A	97.5	Very high	91	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	127.5	-176.8	0	0	0	0	0	111.3	D233 V235 V287 G288 V289 L388 V390	D233-A342 HydrophobicContact CB-CB 4.29Å; V235-A342 HydrophobicContact CG2-CB 3.82Å; V287-A342 PolarHBondContact O-N 2.96Å; G288-A342 CarbonylContact C-O 3.52Å; G288-A342 WeakPolarHBondContact CA-O 3.25Å; V289-A342 PolarHBondContact N-O 3.45Å; A342-L388 HydrophobicContact CB-CD2 3.8Å; A342-L388 HydrophobicContact CB-CG 4.16Å; A342-V390 HydrophobicContact CB-CG2 4.15Å
343	V	98.1	Very high	92.1	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	133.2	-176.9	-167.6	0	0	0	0	109.6	V227 S230 L274 V278 V289 A310 P339	V227-V343 HydrophobicContact CB-CB 4.38Å; V227-V343 HydrophobicContact CB-CG1 4.26Å; V227-V343 HydrophobicContact CG1-CB 4.1Å; V227-V343 HydrophobicContact CG1-CG1 3.88Å; V227-V343 HydrophobicContact CG2-CG1 4.15Å; S230-V343 WeakPolarHBondContact CB-O 3.36Å; S230-V343 PolarHBondContact OG-N 2.77Å; S230-V343 PolarHBondContact OG-O 2.88Å; L274-V343 HydrophobicContact CD1-CG1 3.99Å; L274-V343 HydrophobicContact CD2-CG1 4.37Å; L274-V343 HydrophobicContact CG-CG1 4.4Å; V278-V343 HydrophobicContact CB-CG2 4.35Å; V278-V343 HydrophobicContact CG1-CG2 3.69Å; V278-V343 HydrophobicContact CG2-CB 4.3Å; V278-V343 HydrophobicContact CG2-CG1 3.62Å; V278-V343 HydrophobicContact CG2-CG2 3.61Å; V289-V343 HydrophobicContact CB-CG1 4.29Å; V289-V343 WeakPolarHBondContact O-CA 3.46Å; A310-V343 HydrophobicContact CB-CB 4.49Å; A310-V343 HydrophobicContact CB-CG2 4.16Å; P339-V343 HydrophobicContact CB-CG2 4.46Å
344	Q	98.3	Very high	92.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	143.3	176.5	179.8	57.7	59.6	0	0	111	N207 V209 P223 A225 V289 L290 M291 L388	N207-Q344 PolarHBondContact ND2-OE1 3.35Å; V209-Q344 HydrophobicContact CG2-CG 4.5Å; P223-Q344 HydrophobicContact CB-CG 4.48Å; P223-Q344 HydrophobicContact CG-CG 3.92Å; A225-Q344 PolarHBondContact O-NE2 3.21Å; A225-Q344 VanDerWaalsContact O-NE2 3.08Å; V289-Q344 PolarHBondContact O-N 3.26Å; L290-Q344 VanDerWaalsContact CA-O 3.31Å; L290-Q344 WeakPolarHBondContact CA-O 3.35Å; L290-Q344 HydrophobicContact CD2-CB 4.12Å; M291-Q344 PolarHBondContact N-O 2.89Å; M291-Q344 VanDerWaalsContact N-O 3.09Å; Q344-L388 HydrophobicContact CB-CD1 3.63Å; Q344-L388 HydrophobicContact CG-CD1 4.26Å
345	T	97.9	Very high	93.4	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	144	169	39.8	0	0	0	0	110.4	P223 V227 M291 V305 P306	P223-T345 WeakPolarHBondContact CB-O 3.29Å; V227-T345 HydrophobicContact CG2-CG2 3.78Å; M291-T345 HydrophobicContact CB-CG2 4.27Å; M291-T345 HydrophobicContact CE-CG2 3.84Å; M291-T345 CarbonylContact O-C 3.52Å; M291-T345 VanDerWaalsContact O-CA 3.27Å; M291-T345 WeakPolarHBondContact O-CA 3.21Å; V305-T345 VanDerWaalsContact CG1-C 3.47Å; V305-T345 VanDerWaalsContact CG1-O 3.25Å; V305-T345 WeakPolarHBondContact CG1-O 3.5Å; P306-T345 HydrophobicContact CG-CG2 3.89Å; P306-T345 WeakPolarHBondContact O-CB 3.49Å; P306-T345 WeakPolarHBondContact O-CG2 3.5Å; P306-T345 PolarHBondContact O-OG1 3.32Å
346	I	97.7	Very high	93.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.154	C	C	.	.			trans	-133.8	161.8	-179.9	64	172.8	0	0	0	111	V209 E221 P223 L290 M291 F292 A350 A351 L354	V209-I346 HydrophobicContact CG2-CG2 3.85Å; E221-I346 WeakPolarHBondContact OE2-CA 3.46Å; E221-I346 WeakPolarHBondContact OE2-CB 3.36Å; P223-I346 HydrophobicContact CG-CG2 4.27Å; L290-I346 HydrophobicContact CB-CD1 4.24Å; L290-I346 HydrophobicContact CD1-CD1 4.39Å; L290-I346 HydrophobicContact CD2-CG2 4.15Å; M291-I346 PolarHBondContact O-N 3.48Å; F292-I346 HydrophobicContact CB-CG1 4.04Å; I346-A350 HydrophobicContact CB-CB 4.11Å; I346-A350 HydrophobicContact CD1-CB 4.27Å; I346-A351 HydrophobicContact CD1-CB 4.22Å; I346-L354 HydrophobicContact CD1-CD1 3.84Å
347	S	97.1	Very high	94	Very high	4 Å²	4	24.8 Å²	24.8	3%	0.028	13%	0.134	C	C	.	.			trans	-71.3	163.1	171	71.5	0	0	0	0	112.4	E221 D302 Q349 A350 A351	E221-S347 WeakPolarHBondContact OE1-CB 3.31Å; E221-S347 PolarHBondContact OE1-OG 3.25Å; E221-S347 PolarHBondContact OE2-N 2.69Å; D302-S347 WeakPolarHBondContact O-CB 3.45Å; S347-Q349 VanDerWaalsContact C-N 3.34Å; S347-A350 WeakPolarHBondContact O-CB 3.28Å; S347-A350 PolarHBondContact O-N 2.75Å; S347-A350 WeakPolarHBondContact OG-CB 3.44Å; S347-A350 PolarHBondContact OG-N 3.18Å; S347-A351 PolarHBondContact O-N 3.26Å
348	S	94.9	Very high	94.1	Very high	3 Å²	3	24.4 Å²	24.4	2%	0.021	13%	0.13	C	C	.	.	H	α-helix	trans	-78.7	-22	177.4	-59.9	0	0	0	0	112.3	F292 L293 D302 S352	F292-S348 WeakPolarHBondContact CD2-OG 3.33Å; L293-S348 PolarHBondContact O-OG 3.38Å; D302-S348 PolarHBondContact O-N 3.41Å; D302-S348 VanDerWaalsContact O-N 3.09Å; S348-S352 WeakPolarHBondContact O-CB 3.46Å; S348-S352 PolarHBondContact O-N 2.89Å
349	Q	94.2	Very high	93.6	Very high	103 Å²	103	27.6 Å²	27.6	48%	0.481	15%	0.147	S	C	.	.	H	α-helix	trans	-62.6	-43.9	162.4	-69.8	-175.5	10.5	0	0	111.6	D302 E303 S347 S352 L353	D302-Q349 HydrophobicContact CB-CG 4.26Å; D302-Q349 PolarHBondContact O-N 3.05Å; E303-Q349 HydrophobicContact CG-CG 4.49Å; E303-Q349 PolarHBondContact OE1-NE2 2.62Å; S347-Q349 VanDerWaalsContact C-N 3.34Å; Q349-S352 WeakPolarHBondContact O-CB 3.48Å; Q349-S352 PolarHBondContact O-N 3.45Å; Q349-L353 PolarHBondContact O-N 2.97Å
350	A	95.1	Very high	92.9	Very high	4 Å²	4	28.9 Å²	28.9	3%	0.033	16%	0.162	C	C	.	.	H	α-helix	trans	-63.7	-41.2	174.8	0	0	0	0	0	112.3	V220 E221 I346 S347 L353 L354	V220-A350 HydrophobicContact CG1-CB 3.78Å; E221-A350 HydrophobicContact CB-CB 3.99Å; E221-A350 HydrophobicContact CG-CB 4.46Å; I346-A350 HydrophobicContact CB-CB 4.11Å; I346-A350 HydrophobicContact CD1-CB 4.27Å; S347-A350 WeakPolarHBondContact O-CB 3.28Å; S347-A350 PolarHBondContact O-N 2.75Å; S347-A350 WeakPolarHBondContact OG-CB 3.44Å; S347-A350 PolarHBondContact OG-N 3.18Å; A350-L353 PolarHBondContact O-N 3.2Å; A350-L354 WeakPolarHBondContact O-CG 3.21Å; A350-L354 PolarHBondContact O-N 3.25Å
351	A	94.9	Very high	92.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-61.6	-42	172.8	0	0	0	0	0	112.4	F292 I346 S347 L354 F355	F292-A351 HydrophobicContact CB-CB 4.13Å; F292-A351 HydrophobicContact CD1-CB 3.76Å; F292-A351 HydrophobicContact CD2-CB 4.03Å; F292-A351 HydrophobicContact CE1-CB 4.14Å; F292-A351 HydrophobicContact CE2-CB 4.39Å; F292-A351 HydrophobicContact CG-CB 3.7Å; F292-A351 HydrophobicContact CZ-CB 4.44Å; I346-A351 HydrophobicContact CD1-CB 4.22Å; S347-A351 PolarHBondContact O-N 3.26Å; A351-L354 WeakPolarHBondContact O-CB 3.36Å; A351-L354 PolarHBondContact O-N 2.99Å; A351-F355 HydrophobicContact CB-CE2 4.17Å; A351-F355 WeakPolarHBondContact O-CD2 3.3Å; A351-F355 VanDerWaalsContact O-CG 3.31Å; A351-F355 WeakPolarHBondContact O-CG 3.06Å; A351-F355 PolarHBondContact O-N 3.11Å
352	S	93.3	Very high	91.8	Very high	46 Å²	46	33.7 Å²	33.7	32%	0.322	20%	0.199	S	C	.	.	H	α-helix	trans	-59.5	-44.9	174.4	-171	0	0	0	0	112.2	S348 Q349 L354 F355 S356	S348-S352 WeakPolarHBondContact O-CB 3.46Å; S348-S352 PolarHBondContact O-N 2.89Å; Q349-S352 WeakPolarHBondContact O-CB 3.48Å; Q349-S352 PolarHBondContact O-N 3.45Å; S352-L354 PolarHBondContact O-N 3.1Å; S352-F355 PolarHBondContact O-N 2.69Å; S352-S356 WeakPolarHBondContact O-CB 3.36Å; S352-S356 PolarHBondContact O-N 2.69Å
353	L	92.4	Very high	91.2	Very high	69 Å²	69	34.1 Å²	34.1	36%	0.361	20%	0.202	S	C	.	.	H	α-helix	trans	-61.3	-43.2	175.6	-179.9	54.9	0	0	0	111.6	V220 Q349 A350 S356 K357	V220-L353 HydrophobicContact CB-CD2 4.4Å; V220-L353 HydrophobicContact CG1-CB 4.44Å; V220-L353 HydrophobicContact CG1-CD2 4.1Å; V220-L353 HydrophobicContact CG1-CG 4.43Å; V220-L353 HydrophobicContact CG2-CD2 4.37Å; Q349-L353 PolarHBondContact O-N 2.97Å; A350-L353 PolarHBondContact O-N 3.2Å; L353-S356 PolarHBondContact O-N 2.71Å; L353-S356 PolarHBondContact O-OG 3.14Å; L353-K357 PolarHBondContact O-N 2.89Å
354	L	92.6	Very high	90.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-59.6	-51.7	173.8	-70.8	171.5	0	0	0	111.9	V211 V220 I266 L290 I346 A350 A351 S352 S356 K357 M358 M384 V386	V211-L354 HydrophobicContact CG2-CD2 3.67Å; V220-L354 HydrophobicContact CG1-CD2 4.49Å; V220-L354 HydrophobicContact CG1-CG 4.21Å; V220-L354 HydrophobicContact CG2-CD2 4Å; I266-L354 HydrophobicContact CD1-CB 4.3Å; I266-L354 HydrophobicContact CD1-CD1 4.01Å; L290-L354 HydrophobicContact CD1-CD1 3.87Å; I346-L354 HydrophobicContact CD1-CD1 3.84Å; A350-L354 WeakPolarHBondContact O-CG 3.21Å; A350-L354 PolarHBondContact O-N 3.25Å; A351-L354 WeakPolarHBondContact O-CB 3.36Å; A351-L354 PolarHBondContact O-N 2.99Å; S352-L354 PolarHBondContact O-N 3.1Å; L354-S356 VanDerWaalsContact C-N 3.29Å; L354-S356 PolarHBondContact O-N 2.89Å; L354-K357 PolarHBondContact O-N 3.21Å; L354-K357 VanDerWaalsContact O-N 3.1Å; L354-M358 WeakPolarHBondContact O-CG 3.45Å; L354-M358 PolarHBondContact O-N 2.99Å; L354-M384 HydrophobicContact CD2-CE 4.1Å; L354-V386 HydrophobicContact CD2-CG2 3.63Å
355	F	92.1	Very high	89.5	Confident	1 Å²	1	46 Å²	46	0%	0.004	26%	0.262	C	S	.	.	H	α-helix	trans	-61.7	-36.2	178.8	-60.4	-42	0	0	0	112.5	Y241 I266 F292 A351 S352 K357 M358 V371 K375	Y241-F355 AromaticContact CD2-CE1 3.78Å; Y241-F355 HydrophobicContact CD2-CE1 3.78Å; Y241-F355 AromaticContact CD2-CZ 3.69Å; Y241-F355 HydrophobicContact CD2-CZ 3.69Å; Y241-F355 HydrophobicContact CE2-CE1 4.46Å; Y241-F355 AromaticContact CE2-CZ 3.93Å; Y241-F355 HydrophobicContact CE2-CZ 3.93Å; Y241-F355 AromaticContact CG-CE1 3.97Å; Y241-F355 HydrophobicContact CG-CE1 3.97Å; Y241-F355 HydrophobicContact CG-CZ 4.24Å; I266-F355 HydrophobicContact CG2-CE1 4.25Å; I266-F355 HydrophobicContact CG2-CZ 4.23Å; F292-F355 HydrophobicContact CE1-CE2 4.4Å; F292-F355 AromaticContact CE1-CZ 4Å; F292-F355 HydrophobicContact CE1-CZ 4Å; F292-F355 HydrophobicContact CZ-CE2 4.11Å; F292-F355 HydrophobicContact CZ-CZ 4.04Å; A351-F355 HydrophobicContact CB-CE2 4.17Å; A351-F355 WeakPolarHBondContact O-CD2 3.3Å; A351-F355 VanDerWaalsContact O-CG 3.31Å; A351-F355 WeakPolarHBondContact O-CG 3.06Å; A351-F355 PolarHBondContact O-N 3.11Å; S352-F355 PolarHBondContact O-N 2.69Å; F355-K357 VanDerWaalsContact C-N 3.25Å; F355-K357 PolarHBondContact O-N 2.92Å; F355-M358 HydrophobicContact CD1-SD 3.75Å; F355-M358 HydrophobicContact CE1-SD 4.37Å; F355-M358 PolarHBondContact O-N 3.09Å; F355-V371 HydrophobicContact CD2-CB 4.34Å; F355-V371 HydrophobicContact CD2-CG1 3.67Å; F355-V371 HydrophobicContact CE2-CB 4.12Å; F355-V371 HydrophobicContact CE2-CG1 3.84Å; F355-K375 WeakPolarHBondContact O-CD 3.41Å; F355-K375 VanDerWaalsContact O-CE 3.29Å; F355-K375 WeakPolarHBondContact O-CE 3.47Å; F355-K375 PolarHBondContact O-NZ 2.89Å
356	S	89.7	Confident	88.8	Confident	70 Å²	70	49.5 Å²	49.5	49%	0.49	28%	0.281	S	S	.	.	H	α-helix	trans	-58.7	-38.8	175.4	82.7	0	0	0	0	112.1	S352 L353 L354 K375	S352-S356 WeakPolarHBondContact O-CB 3.36Å; S352-S356 PolarHBondContact O-N 2.69Å; L353-S356 PolarHBondContact O-N 2.71Å; L353-S356 PolarHBondContact O-OG 3.14Å; L354-S356 VanDerWaalsContact C-N 3.29Å; L354-S356 PolarHBondContact O-N 2.89Å; S356-K375 PolarHBondContact O-NZ 3.2Å
357	K	88	Confident	88.3	Confident	79 Å²	79	49.5 Å²	49.5	34%	0.343	28%	0.281	S	S	.	.	H	α-helix	trans	-83.6	-28.1	-178.9	-75.3	-63.9	-153.8	151.3	0	114.8	E213 L353 L354 F355 D359 M384	E213-K357 VanDerWaalsContact OE1-CD 3.29Å; E213-K357 WeakPolarHBondContact OE1-CD 3.42Å; E213-K357 WeakPolarHBondContact OE1-CE 3.49Å; E213-K357 IonicContact OE1-NZ 2.74Å; E213-K357 PolarHBondContact OE1-NZ 3.1Å; E213-K357 IonicContact OE2-NZ 2.73Å; E213-K357 PolarHBondContact OE2-NZ 2.88Å; L353-K357 PolarHBondContact O-N 2.89Å; L354-K357 PolarHBondContact O-N 3.21Å; L354-K357 VanDerWaalsContact O-N 3.1Å; F355-K357 VanDerWaalsContact C-N 3.25Å; F355-K357 PolarHBondContact O-N 2.92Å; K357-D359 PolarHBondContact O-N 3.34Å; K357-M384 VanDerWaalsContact C-SD 3.53Å; K357-M384 HydrophobicContact CB-CE 3.56Å; K357-M384 HydrophobicContact CB-SD 3.88Å
358	M	88	Confident	87.5	Confident	2 Å²	2	53.1 Å²	53.1	1%	0.01	30%	0.303	C	S	.	.			trans	-57.8	133.8	-178.3	-79	168.1	69.4	0	0	112.8	P239 I266 L354 F355 K375 T377 M384	P239-M358 HydrophobicContact CB-CE 4.25Å; P239-M358 HydrophobicContact CB-CG 4.12Å; P239-M358 HydrophobicContact CB-SD 3.96Å; P239-M358 HydrophobicContact CG-CG 3.7Å; P239-M358 HydrophobicContact CG-SD 4.21Å; I266-M358 HydrophobicContact CD1-SD 4.03Å; L354-M358 WeakPolarHBondContact O-CG 3.45Å; L354-M358 PolarHBondContact O-N 2.99Å; F355-M358 HydrophobicContact CD1-SD 3.75Å; F355-M358 HydrophobicContact CE1-SD 4.37Å; F355-M358 PolarHBondContact O-N 3.09Å; M358-K375 HydrophobicContact CB-CB 4.37Å; M358-K375 HydrophobicContact CB-CD 4.24Å; M358-K375 WeakPolarHBondContact CE-O 3.28Å; M358-K375 WeakPolarHBondContact O-CD 3.35Å; M358-K375 WeakPolarHBondContact O-CE 3.49Å; M358-K375 PolarHBondContact O-NZ 3.45Å; M358-T377 VanDerWaalsContact CE-OG1 3.29Å; M358-T377 WeakPolarHBondContact CE-OG1 3.46Å; M358-M384 VanDerWaalsContact CA-SD 3.53Å; M358-M384 HydrophobicContact CB-SD 4.34Å; M358-M384 HydrophobicContact CG-CE 4.22Å; M358-M384 HydrophobicContact CG-SD 3.85Å
359	D	80.9	Confident	86.9	Confident	80 Å²	80	54.2 Å²	54.2	43%	0.428	32%	0.315	S	S	.	.			trans	-79.7	133.3	162.9	-61.6	-56	0	0	0	108.8	K357 T377 S382	K357-D359 PolarHBondContact O-N 3.34Å; D359-T377 VanDerWaalsContact O-CA 3.24Å; D359-T377 WeakPolarHBondContact O-CA 3.45Å; D359-T377 VanDerWaalsContact O-CB 3.28Å; D359-T377 WeakPolarHBondContact O-CB 3.38Å; D359-T377 WeakPolarHBondContact O-CG2 3.43Å; D359-T377 PolarHBondContact O-OG1 3.15Å; D359-S382 WeakPolarHBondContact OD2-CA 3.34Å; D359-S382 WeakPolarHBondContact OD2-CB 3.38Å; D359-S382 PolarHBondContact OD2-OG 3.26Å
360	G	78.7	Confident	86.3	Confident	35 Å²	35	51 Å²	51	36%	0.361	31%	0.31	S	S	.	.	S	Bend	trans	151.9	176.2	176.9	0	0	0	0	0	113.9	I376	G360-I376 WeakPolarHBondContact CA-O 3.15Å
361	D	81.6	Confident	85.9	Confident	109 Å²	109	51.4 Å²	51.4	58%	0.583	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.2	152	177.1	-72.9	0.4	0	0	0	110.7	K375 I376 L378	D361-K375 CarbonylContact O-C 3.49Å; D361-K375 VanDerWaalsContact O-CA 3.24Å; D361-K375 WeakPolarHBondContact O-CA 3.45Å; D361-I376 PolarHBondContact N-O 3.42Å; D361-I376 PolarHBondContact O-N 2.92Å; D361-L378 HydrophobicContact CB-CD1 3.93Å; D361-L378 WeakPolarHBondContact OD2-CD1 3.31Å
362	S	84.9	Confident	85.1	Confident	102 Å²	102	58.9 Å²	58.9	71%	0.713	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.8	143.6	170.9	-57	0	0	0	0	111.5
363	C	84.4	Confident	84.3	Confident	10 Å²	10	59 Å²	59	7%	0.068	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-54.8	142.8	175.1	-68.4	0	0	0	0	112.3	W367 T368 C374 K375	C363-W367 HydrophobicContact CB-CB 4.47Å; C363-T368 HydrophobicContact CB-CG2 4.4Å; C363-C374 HydrophobicContact CB-CB 3.71Å; C363-C374 WeakPolarHBondContact CB-SG 3.11Å; C363-C374 PolarHBondContact N-O 3.08Å; C363-C374 WeakPolarHBondContact SG-CB 3.48Å; C363-C374 PolarHBondContact SG-O 3.11Å; C363-C374 VanDerWaalsContact SG-O 3.38Å; C363-C374 CovalentContact SG-SG 2.04Å; C363-C374 PolarHBondContact SG-SG 3.42Å; C363-K375 PolarHBondContact SG-N 3.33Å
364	R	80.9	Confident	83.9	Confident	114 Å²	114	56.3 Å²	56.3	43%	0.43	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-56	153.2	173.6	-63	164.9	47	118.1	5.8	111	D366 W367 T368	R364-D366 VanDerWaalsContact C-N 3.26Å; R364-D366 VanDerWaalsContact CB-OD1 3.28Å; R364-D366 WeakPolarHBondContact CB-OD1 3.47Å; R364-D366 IonicContact CZ-OD1 3.69Å; R364-D366 VanDerWaalsContact CZ-OD1 3.22Å; R364-D366 IonicContact CZ-OD2 2.74Å; R364-D366 IonicContact NE-OD1 3.75Å; R364-D366 PolarHBondContact NE-OD1 3.19Å; R364-D366 IonicContact NE-OD2 3.2Å; R364-D366 VanDerWaalsContact NH2-CG 3.35Å; R364-D366 IonicContact NH2-OD1 2.74Å; R364-D366 PolarHBondContact NH2-OD1 2.75Å; R364-D366 IonicContact NH2-OD2 2.85Å; R364-D366 PolarHBondContact NH2-OD2 3.14Å; R364-D366 PolarHBondContact O-N 2.99Å; R364-W367 HydrophobicContact CB-CB 4.32Å; R364-W367 CarbonylContact O-C 3.6Å; R364-W367 WeakPolarHBondContact O-CA 3.48Å; R364-W367 WeakPolarHBondContact O-CB 3.43Å; R364-W367 PolarHBondContact O-N 3.4Å; R364-T368 PolarHBondContact O-N 3.01Å
365	T	80.3	Confident	83.5	Confident	134 Å²	134	58.6 Å²	58.6	82%	0.822	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-24	178.6	49.1	0	0	0	0	114.2	W367 T368	T365-W367 PolarHBondContact O-N 3.35Å; T365-T368 PolarHBondContact O-OG1 3.35Å
366	D	83.9	Confident	82.9	Confident	74 Å²	74	58.8 Å²	58.8	40%	0.396	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-5.6	169.5	63.8	-59	0	0	0	113.5	K252 R364	K252-D366 IonicContact NZ-OD2 2.67Å; K252-D366 PolarHBondContact NZ-OD2 2.79Å; R364-D366 VanDerWaalsContact C-N 3.26Å; R364-D366 VanDerWaalsContact CB-OD1 3.28Å; R364-D366 WeakPolarHBondContact CB-OD1 3.47Å; R364-D366 IonicContact CZ-OD1 3.69Å; R364-D366 VanDerWaalsContact CZ-OD1 3.22Å; R364-D366 IonicContact CZ-OD2 2.74Å; R364-D366 IonicContact NE-OD1 3.75Å; R364-D366 PolarHBondContact NE-OD1 3.19Å; R364-D366 IonicContact NE-OD2 3.2Å; R364-D366 VanDerWaalsContact NH2-CG 3.35Å; R364-D366 IonicContact NH2-OD1 2.74Å; R364-D366 PolarHBondContact NH2-OD1 2.75Å; R364-D366 IonicContact NH2-OD2 2.85Å; R364-D366 PolarHBondContact NH2-OD2 3.14Å; R364-D366 PolarHBondContact O-N 2.99Å
367	W	87	Confident	82.3	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.6	-9.7	-175.6	-79.7	10.7	0	0	0	114.3	Y241 N243 D249 K252 I253 R268 C363 R364 T365 G369 I376	Y241-W367 HydrophobicContact CD1-CE3 4.13Å; Y241-W367 HydrophobicContact CD1-CZ3 4.47Å; Y241-W367 HydrophobicContact CE1-CE3 4.26Å; Y241-W367 WeakPolarHBondContact O-CZ3 3.01Å; N243-W367 HydrophobicContact CB-CD2 3.66Å; N243-W367 VanDerWaalsContact CB-CE2 3.42Å; N243-W367 HydrophobicContact CB-CE3 4.17Å; N243-W367 HydrophobicContact CB-CG 3.93Å; N243-W367 HydrophobicContact CB-CH2 4.28Å; N243-W367 HydrophobicContact CB-CZ2 3.78Å; N243-W367 HydrophobicContact CB-CZ3 4.45Å; N243-W367 PolarHBondContact ND2-NE1 3.45Å; D249-W367 HydrophobicContact CB-CH2 4.43Å; D249-W367 HydrophobicContact CB-CZ2 3.77Å; D249-W367 WeakPolarHBondContact OD1-CZ2 3.43Å; D249-W367 PolarHBondContact OD1-NE1 3.08Å; K252-W367 HydrophobicContact CB-CH2 4.43Å; K252-W367 HydrophobicContact CB-CZ2 4Å; K252-W367 HydrophobicContact CD-CZ2 3.74Å; I253-W367 HydrophobicContact CD1-CH2 3.53Å; I253-W367 HydrophobicContact CD1-CZ3 3.67Å; I253-W367 HydrophobicContact CG1-CH2 3.88Å; I253-W367 HydrophobicContact CG1-CZ3 4.48Å; R268-W367 PolarHBondContact NH2-O 3.19Å; C363-W367 HydrophobicContact CB-CB 4.47Å; R364-W367 HydrophobicContact CB-CB 4.32Å; R364-W367 CarbonylContact O-C 3.6Å; R364-W367 WeakPolarHBondContact O-CA 3.48Å; R364-W367 WeakPolarHBondContact O-CB 3.43Å; R364-W367 PolarHBondContact O-N 3.4Å; T365-W367 PolarHBondContact O-N 3.35Å; W367-G369 PolarHBondContact O-N 3.24Å; W367-I376 HydrophobicContact CE3-CD1 3.57Å; W367-I376 HydrophobicContact CE3-CG1 4.24Å; W367-I376 HydrophobicContact CZ3-CD1 3.66Å; W367-I376 HydrophobicContact CZ3-CG1 4.24Å
368	T	79.4	Confident	81.3	Confident	81 Å²	81	55 Å²	55	50%	0.497	33%	0.332	S	S	.	.			trans	-63.9	122.4	173	43.3	0	0	0	0	111.4	C363 R364 T365	C363-T368 HydrophobicContact CB-CG2 4.4Å; R364-T368 PolarHBondContact O-N 3.01Å; T365-T368 PolarHBondContact O-OG1 3.35Å
369	G	83.1	Confident	80	Confident	26 Å²	26	57.1 Å²	57.1	27%	0.268	35%	0.347	S	S	.	.			trans	-102.9	-158.2	172.7	0	0	0	0	0	113.3	W367	W367-G369 PolarHBondContact O-N 3.24Å
370	G	82.1	Confident	79	Confident	36 Å²	36	58.6 Å²	58.6	37%	0.371	36%	0.364	S	S	.	.	S	Bend	trans	-76.8	-20.4	172.2	0	0	0	0	0	113.6	D294 M372	D294-G370 WeakPolarHBondContact OD1-CA 3.42Å; D294-G370 PolarHBondContact OD1-N 2.83Å; G370-M372 PolarHBondContact O-N 3.28Å
371	V	84.9	Confident	78.1	Confident	12 Å²	12	62.3 Å²	62.3	7%	0.073	38%	0.38	C	S	.	.	S	Bend	trans	-73.6	112.1	175.3	-169.7	0	0	0	0	110.8	F292 P295 F355	F292-V371 HydrophobicContact CD2-CG2 4.15Å; F292-V371 HydrophobicContact CE2-CG2 3.56Å; F292-V371 HydrophobicContact CZ-CG2 4.36Å; P295-V371 HydrophobicContact CG-CG2 4.37Å; F355-V371 HydrophobicContact CD2-CB 4.34Å; F355-V371 HydrophobicContact CD2-CG1 3.67Å; F355-V371 HydrophobicContact CE2-CB 4.12Å; F355-V371 HydrophobicContact CE2-CG1 3.84Å
372	M	78.1	Confident	77.4	Confident	157 Å²	157	57.4 Å²	57.4	77%	0.773	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	143.6	178.5	-71.8	-65.2	-70	0	0	112.4	G370 C374	G370-M372 PolarHBondContact O-N 3.28Å; M372-C374 PolarHBondContact O-N 2.87Å
373	G	76.9	Confident	76.9	Confident	49 Å²	49	58.8 Å²	58.8	51%	0.505	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	77	15.1	172.9	0	0	0	0	0	115.8	K375	G373-K375 PolarHBondContact O-N 3.44Å
374	C	83.7	Confident	76.9	Confident	11 Å²	11	58.6 Å²	58.6	7%	0.074	35%	0.345	C	S	.	.			trans	-44.7	128.1	172.8	-173.9	0	0	0	0	112.6	Y241 C363 M372	Y241-C374 WeakPolarHBondContact CE1-SG 3.32Å; C363-C374 HydrophobicContact CB-CB 3.71Å; C363-C374 WeakPolarHBondContact CB-SG 3.11Å; C363-C374 PolarHBondContact N-O 3.08Å; C363-C374 WeakPolarHBondContact SG-CB 3.48Å; C363-C374 PolarHBondContact SG-O 3.11Å; C363-C374 VanDerWaalsContact SG-O 3.38Å; C363-C374 CovalentContact SG-SG 2.04Å; C363-C374 PolarHBondContact SG-SG 3.42Å; M372-C374 PolarHBondContact O-N 2.87Å
375	K	83.9	Confident	77.4	Confident	48 Å²	48	55 Å²	55	21%	0.209	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	157.2	176.7	-65.9	172.4	-161.7	150.3	0	112.3	F355 S356 M358 D361 C363 G373	F355-K375 WeakPolarHBondContact O-CD 3.41Å; F355-K375 VanDerWaalsContact O-CE 3.29Å; F355-K375 WeakPolarHBondContact O-CE 3.47Å; F355-K375 PolarHBondContact O-NZ 2.89Å; S356-K375 PolarHBondContact O-NZ 3.2Å; M358-K375 HydrophobicContact CB-CB 4.37Å; M358-K375 HydrophobicContact CB-CD 4.24Å; M358-K375 WeakPolarHBondContact CE-O 3.28Å; M358-K375 WeakPolarHBondContact O-CD 3.35Å; M358-K375 WeakPolarHBondContact O-CE 3.49Å; M358-K375 PolarHBondContact O-NZ 3.45Å; D361-K375 CarbonylContact O-C 3.49Å; D361-K375 VanDerWaalsContact O-CA 3.24Å; D361-K375 WeakPolarHBondContact O-CA 3.45Å; C363-K375 PolarHBondContact SG-N 3.33Å; G373-K375 PolarHBondContact O-N 3.44Å
376	I	80.6	Confident	78.1	Confident	5 Å²	5	48.7 Å²	48.7	3%	0.026	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	120	169.7	-52.9	171.1	0	0	0	107.9	I253 G360 D361 W367 L378	I253-I376 HydrophobicContact CD1-CG2 3.97Å; G360-I376 WeakPolarHBondContact CA-O 3.15Å; D361-I376 PolarHBondContact N-O 3.42Å; D361-I376 PolarHBondContact O-N 2.92Å; W367-I376 HydrophobicContact CE3-CD1 3.57Å; W367-I376 HydrophobicContact CE3-CG1 4.24Å; W367-I376 HydrophobicContact CZ3-CD1 3.66Å; W367-I376 HydrophobicContact CZ3-CG1 4.24Å; I376-L378 HydrophobicContact CB-CD2 4.5Å; I376-L378 HydrophobicContact CG2-CD2 3.95Å; I376-L378 PolarHBondContact O-N 2.97Å
377	T	76.6	Confident	78.7	Confident	5 Å²	5	46.9 Å²	46.9	3%	0.031	29%	0.287	C	S	.	.			trans	-75.5	97.2	-179.2	-67.3	0	0	0	0	111.3	P239 M358 D359	P239-T377 WeakPolarHBondContact O-CB 3.33Å; P239-T377 PolarHBondContact O-OG1 3.04Å; M358-T377 VanDerWaalsContact CE-OG1 3.29Å; M358-T377 WeakPolarHBondContact CE-OG1 3.46Å; D359-T377 VanDerWaalsContact O-CA 3.24Å; D359-T377 WeakPolarHBondContact O-CA 3.45Å; D359-T377 VanDerWaalsContact O-CB 3.28Å; D359-T377 WeakPolarHBondContact O-CB 3.38Å; D359-T377 WeakPolarHBondContact O-CG2 3.43Å; D359-T377 PolarHBondContact O-OG1 3.15Å
378	L	66.9	Low	79.2	Confident	65 Å²	65	46.9 Å²	46.9	34%	0.34	29%	0.287	S	S	.	.			trans	-85.8	-29.7	179.4	-57.7	-176.8	0	0	0	113.5	L256 V258 D361 I376	L256-L378 HydrophobicContact CB-CD2 4.18Å; L256-L378 HydrophobicContact CD1-CD2 4.23Å; V258-L378 HydrophobicContact CG2-CD2 3.54Å; D361-L378 HydrophobicContact CB-CD1 3.93Å; D361-L378 WeakPolarHBondContact OD2-CD1 3.31Å; I376-L378 HydrophobicContact CB-CD2 4.5Å; I376-L378 HydrophobicContact CG2-CD2 3.95Å; I376-L378 PolarHBondContact O-N 2.97Å
379	S	60.7	Low	80.1	Confident	47 Å²	47	45.7 Å²	45.7	33%	0.329	27%	0.274	S	S	.	.			trans	-88.3	128.8	-168.6	-170.4	0	0	0	0	114.2	T381 S382	S379-T381 PolarHBondContact O-N 2.93Å; S379-T381 PolarHBondContact OG-N 3.09Å; S379-T381 PolarHBondContact OG-OG1 3.23Å; S379-S382 PolarHBondContact O-N 3.47Å
380	S	59.6	Low	80.8	Confident	110 Å²	110	44.6 Å²	44.6	77%	0.769	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-20.8	166.3	60.6	0	0	0	0	113.1	K238	K238-S380 PolarHBondContact NZ-O 2.78Å
381	T	60	Low	81.4	Confident	113 Å²	113	44.7 Å²	44.7	69%	0.693	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-8.3	-178.2	70.4	0	0	0	0	114.9	S379 K383	S379-T381 PolarHBondContact O-N 2.93Å; S379-T381 PolarHBondContact OG-N 3.09Å; S379-T381 PolarHBondContact OG-OG1 3.23Å; T381-K383 PolarHBondContact O-N 2.86Å
382	S	66.6	Low	82	Confident	7 Å²	7	44.3 Å²	44.3	5%	0.049	25%	0.252	C	S	.	.			trans	-59.2	133.6	176.7	-177.8	0	0	0	0	110.8	K238 D359 S379 M384	K238-S382 VanDerWaalsContact CE-O 3.26Å; K238-S382 WeakPolarHBondContact CE-O 3.32Å; K238-S382 PolarHBondContact NZ-O 3.12Å; D359-S382 WeakPolarHBondContact OD2-CA 3.34Å; D359-S382 WeakPolarHBondContact OD2-CB 3.38Å; D359-S382 PolarHBondContact OD2-OG 3.26Å; S379-S382 PolarHBondContact O-N 3.47Å; S382-M384 PolarHBondContact OG-N 3.37Å
383	K	74.7	Confident	82.8	Confident	131 Å²	131	40 Å²	40	57%	0.57	24%	0.235	S	C	*	.			trans	-92.6	-17.5	174.9	-66.3	-165.6	176.2	-165.2	0	113.4	D214 T381 T385	D214-K383 WeakPolarHBondContact OD1-CD 3.32Å; D214-K383 IonicContact OD1-NZ 3.15Å; D214-K383 PolarHBondContact OD1-NZ 2.95Å; D214-K383 VanDerWaalsContact OD1-NZ 3.1Å; D214-K383 WeakPolarHBondContact OD2-CD 3.47Å; D214-K383 WeakPolarHBondContact OD2-CE 3.38Å; D214-K383 IonicContact OD2-NZ 2.59Å; D214-K383 PolarHBondContact OD2-NZ 3.44Å; T381-K383 PolarHBondContact O-N 2.86Å; K383-T385 PolarHBondContact O-N 3.3Å
384	M	85.8	Confident	83.6	Confident	5 Å²	5	41 Å²	41	3%	0.025	23%	0.227	C	C	.	.			trans	-62.2	128.1	178.8	-174.4	-161.7	177.1	0	0	109.6	V211 P239 L354 K357 M358 S382 V386	V211-M384 HydrophobicContact CB-CE 4.36Å; V211-M384 HydrophobicContact CG1-CE 3.89Å; V211-M384 HydrophobicContact CG1-CG 3.84Å; V211-M384 HydrophobicContact CG2-CE 3.46Å; V211-M384 VanDerWaalsContact CG2-CE 3.46Å; P239-M384 HydrophobicContact CG-CE 4.13Å; P239-M384 HydrophobicContact CG-SD 3.9Å; L354-M384 HydrophobicContact CD2-CE 4.1Å; K357-M384 VanDerWaalsContact C-SD 3.53Å; K357-M384 HydrophobicContact CB-CE 3.56Å; K357-M384 HydrophobicContact CB-SD 3.88Å; M358-M384 VanDerWaalsContact CA-SD 3.53Å; M358-M384 HydrophobicContact CB-SD 4.34Å; M358-M384 HydrophobicContact CG-CE 4.22Å; M358-M384 HydrophobicContact CG-SD 3.85Å; S382-M384 PolarHBondContact OG-N 3.37Å; M384-V386 HydrophobicContact CE-CG2 4.14Å
385	T	91.3	Very high	84.1	Confident	40 Å²	40	41.8 Å²	41.8	25%	0.245	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	148.1	164.8	53.7	0	0	0	0	109.6	V211 V212 G237 K383	V211-T385 WeakPolarHBondContact CA-O 3.41Å; V212-T385 PolarHBondContact N-O 3.28Å; V212-T385 PolarHBondContact O-N 2.84Å; V212-T385 VanDerWaalsContact O-N 3.1Å; V212-T385 PolarHBondContact O-OG1 2.87Å; G237-T385 WeakPolarHBondContact O-CA 3.48Å; K383-T385 PolarHBondContact O-N 3.3Å
386	V	94.6	Very high	84.4	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	137.4	168.2	173.7	0	0	0	0	107.5	V209 S210 V211 S236 G237 P239 I264 L290 L354 M384	V209-V386 HydrophobicContact CG1-CG1 3.82Å; S210-V386 CarbonylContact O-C 3.58Å; S210-V386 WeakPolarHBondContact O-CA 3.37Å; V211-V386 HydrophobicContact CG2-CG2 4.32Å; S236-V386 CarbonylContact C-O 3.54Å; S236-V386 VanDerWaalsContact CA-O 3.26Å; S236-V386 WeakPolarHBondContact CA-O 3.23Å; G237-V386 PolarHBondContact N-O 3.43Å; G237-V386 PolarHBondContact O-N 2.89Å; P239-V386 HydrophobicContact CB-CG2 3.86Å; P239-V386 HydrophobicContact CG-CG2 3.98Å; I264-V386 HydrophobicContact CD1-CB 4.11Å; I264-V386 HydrophobicContact CD1-CG1 4.01Å; I264-V386 VanDerWaalsContact CD1-O 3.27Å; I264-V386 WeakPolarHBondContact CD1-O 3.33Å; L290-V386 HydrophobicContact CD1-CG1 4.22Å; L354-V386 HydrophobicContact CD2-CG2 3.63Å; M384-V386 HydrophobicContact CE-CG2 4.14Å
387	Q	96.5	Very high	85	Confident	37 Å²	37	46.8 Å²	46.8	17%	0.173	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	123.7	171.2	179.5	170.7	-10.8	0	0	108.1	V209 S210 V212 E234 V235	V209-Q387 WeakPolarHBondContact CA-O 3.48Å; S210-Q387 PolarHBondContact N-O 3.25Å; S210-Q387 PolarHBondContact O-N 3.42Å; V212-Q387 HydrophobicContact CG2-CB 4.2Å; E234-Q387 PolarHBondContact OE1-NE2 3.17Å; V235-Q387 WeakPolarHBondContact O-CA 3.13Å
388	L	97.4	Very high	85.8	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	118	178.7	167.8	58.4	0	0	0	108.6	V209 E234 V235 I264 L290 A342 Q344 V390	V209-L388 HydrophobicContact CG2-CD1 4.08Å; E234-L388 WeakPolarHBondContact CA-O 3.49Å; V235-L388 HydrophobicContact CG2-CB 4.07Å; V235-L388 HydrophobicContact CG2-CD2 4.46Å; V235-L388 HydrophobicContact CG2-CG 4.43Å; V235-L388 PolarHBondContact N-O 3.39Å; V235-L388 PolarHBondContact O-N 2.94Å; I264-L388 HydrophobicContact CD1-CB 3.98Å; L290-L388 HydrophobicContact CD2-CD1 4.11Å; L290-L388 HydrophobicContact CD2-CD2 4.06Å; A342-L388 HydrophobicContact CB-CD2 3.8Å; A342-L388 HydrophobicContact CB-CG 4.16Å; Q344-L388 HydrophobicContact CB-CD1 3.63Å; Q344-L388 HydrophobicContact CG-CD1 4.26Å; L388-V390 HydrophobicContact CD1-CG2 3.86Å; L388-V390 HydrophobicContact CG-CG2 4.14Å
389	K	97.4	Very high	87.1	Confident	55 Å²	55	46.5 Å²	46.5	24%	0.239	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	114.4	178.5	-166.4	-167	-170.8	82	0	110.1	N207 K208 E234 N391	N207-K389 VanDerWaalsContact CA-O 3.25Å; N207-K389 WeakPolarHBondContact CA-O 3.42Å; K208-K389 PolarHBondContact N-O 3.44Å; K208-K389 PolarHBondContact O-N 3.37Å; E234-K389 HydrophobicContact CB-CG 4.23Å; E234-K389 HydrophobicContact CG-CB 4.33Å; E234-K389 HydrophobicContact CG-CG 4.12Å; E234-K389 IonicContact OE1-NZ 3.1Å; E234-K389 PolarHBondContact OE1-NZ 3.07Å; E234-K389 IonicContact OE2-NZ 3.71Å; E234-K389 PolarHBondContact OE2-NZ 3.22Å; K389-N391 WeakPolarHBondContact CE-OD1 3.36Å
390	V	97.5	Very high	88.8	Confident	3 Å²	3	44.8 Å²	44.8	2%	0.018	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	124.5	178.7	179.7	0	0	0	0	110	N232 D233 A342 L388 N392	N232-V390 WeakPolarHBondContact CA-O 3.17Å; D233-V390 PolarHBondContact N-O 3.38Å; D233-V390 PolarHBondContact O-N 3.07Å; A342-V390 HydrophobicContact CB-CG2 4.15Å; L388-V390 HydrophobicContact CD1-CG2 3.86Å; L388-V390 HydrophobicContact CG-CG2 4.14Å; V390-N392 HydrophobicContact CG1-CB 4.39Å
391	N	96.6	Very high	90.7	Very high	39 Å²	39	39.5 Å²	39.5	21%	0.209	20%	0.201	C	C	.	.			trans	-130.4	45.5	-175.2	-39.4	-95.1	0	0	0	110	G203 V205 N206 N207 K389	G203-N391 VanDerWaalsContact CA-O 3.27Å; G203-N391 WeakPolarHBondContact CA-O 3.28Å; G203-N391 PolarHBondContact N-O 3.44Å; V205-N391 HydrophobicContact CB-CB 4.16Å; V205-N391 HydrophobicContact CG1-CB 4.45Å; N206-N391 PolarHBondContact O-ND2 3.33Å; N207-N391 PolarHBondContact OD1-N 3.15Å; K389-N391 WeakPolarHBondContact CE-OD1 3.36Å
392	N	96.7	Very high	92.5	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.016	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	168	174.6	-63.4	-10.4	0	0	0	110.3	Q200 V201 N207 V227 N232 V390	Q200-N392 VanDerWaalsContact CD-CB 3.47Å; Q200-N392 HydrophobicContact CG-CB 3.66Å; Q200-N392 PolarHBondContact OE1-ND2 3.25Å; V201-N392 CarbonylContact O-C 3.36Å; V201-N392 WeakPolarHBondContact O-CA 3.2Å; V201-N392 WeakPolarHBondContact O-CB 3.42Å; N207-N392 PolarHBondContact ND2-OD1 2.84Å; V227-N392 PolarHBondContact O-ND2 3.35Å; N232-N392 PolarHBondContact ND2-O 3.06Å; N232-N392 WeakPolarHBondContact OD1-CA 3.44Å; N232-N392 WeakPolarHBondContact OD1-CB 3.22Å; N232-N392 PolarHBondContact OD1-N 2.68Å; N232-N392 PolarHBondContact OD1-O 3.38Å; V390-N392 HydrophobicContact CG1-CB 4.39Å
393	V	95.6	Very high	94	Very high	67 Å²	67	33.8 Å²	33.8	41%	0.406	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	130.5	-177.4	177.6	0	0	0	0	110	Q200 V201 V395	Q200-V393 WeakPolarHBondContact CA-O 3.39Å; V201-V393 PolarHBondContact N-O 3.49Å; V201-V393 PolarHBondContact O-N 3.33Å; V393-V395 HydrophobicContact CG1-CG1 4.14Å
394	M	93.2	Very high	95.2	Very high	69 Å²	69	27.6 Å²	27.6	34%	0.34	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	132.3	171.4	-56.7	-50.3	-57.4	0	0	109.6	K198 L199 Q200 Y229 F318	K198-M394 HydrophobicContact CD-CE 4.5Å; K198-M394 HydrophobicContact CG-CE 3.67Å; L199-M394 CarbonylContact O-C 3.09Å; L199-M394 WeakPolarHBondContact O-CA 3.25Å; L199-M394 WeakPolarHBondContact O-CE 3.37Å; Q200-M394 HydrophobicContact CB-CE 3.91Å; Q200-M394 HydrophobicContact CB-SD 3.58Å; Q200-M394 VanDerWaalsContact CB-SD 3.58Å; Q200-M394 HydrophobicContact CG-SD 3.6Å; Q200-M394 PolarHBondContact NE2-SD 3.37Å; Y229-M394 HydrophobicContact CD1-CE 4.5Å; F318-M394 HydrophobicContact CE2-CE 3.44Å; F318-M394 VanDerWaalsContact CE2-CE 3.44Å; F318-M394 HydrophobicContact CZ-CE 3.69Å
395	V	92.9	Very high	95.8	Very high	28 Å²	28	27.4 Å²	27.4	17%	0.17	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	133.1	-179.7	-65.9	0	0	0	0	110.7	L199 V201 V393 R397	L199-V395 PolarHBondContact N-O 3.03Å; L199-V395 PolarHBondContact O-N 3.04Å; V201-V395 HydrophobicContact CB-CG2 4.31Å; V201-V395 HydrophobicContact CG1-CG2 3.69Å; V201-V395 HydrophobicContact CG2-CB 4.42Å; V201-V395 HydrophobicContact CG2-CG1 3.76Å; V201-V395 HydrophobicContact CG2-CG2 3.71Å; V393-V395 HydrophobicContact CG1-CG1 4.14Å; V395-R397 HydrophobicContact CG2-CG 4.34Å
396	D	91.3	Very high	96.1	Very high	93 Å²	93	25.6 Å²	25.6	50%	0.497	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	138.5	171.1	-53.5	-29.3	0	0	0	109	I197 K198 H327	I197-D396 CarbonylContact O-C 3.58Å; I197-D396 WeakPolarHBondContact O-CA 3.27Å; K198-D396 WeakPolarHBondContact CE-OD1 3.29Å; K198-D396 IonicContact NZ-OD1 2.92Å; K198-D396 PolarHBondContact NZ-OD1 2.74Å; K198-D396 VanDerWaalsContact NZ-OD1 3.16Å; H327-D396 IonicContact CD2-OD1 3.16Å; H327-D396 PolarHBondContact CD2-OD1 3.14Å; H327-D396 IonicContact NE2-OD1 2.64Å
397	R	92.1	Very high	96.3	Very high	66 Å²	66	29.8 Å²	29.8	25%	0.249	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	135.5	-179	-74.9	-71	179.2	-86.2	2.5	110.8	Y196 I197 L199 V395	Y196-R397 WeakPolarHBondContact CA-O 3.43Å; I197-R397 HydrophobicContact CG1-CB 4.36Å; I197-R397 PolarHBondContact N-O 3.36Å; I197-R397 PolarHBondContact O-N 2.85Å; L199-R397 HydrophobicContact CD1-CB 4.41Å; L199-R397 HydrophobicContact CD1-CG 4.25Å; V395-R397 HydrophobicContact CG2-CG 4.34Å
398	K	93.8	Very high	96.3	Very high	63 Å²	63	28.3 Å²	28.3	27%	0.274	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	126.3	161.4	-172.3	-164.5	69.3	166.6	0	107.6	G167 E172 E194 H195 Y196 L400	G167-K398 WeakPolarHBondContact CA-O 3.3Å; E172-K398 WeakPolarHBondContact OE1-CE 3.42Å; E172-K398 IonicContact OE1-NZ 2.68Å; E172-K398 PolarHBondContact OE1-NZ 2.96Å; E194-K398 IonicContact OE1-NZ 2.9Å; H195-K398 WeakPolarHBondContact O-CA 3.34Å; Y196-K398 HydrophobicContact CD1-CB 4.2Å; Y196-K398 HydrophobicContact CE1-CB 3.96Å; Y196-K398 HydrophobicContact CE1-CG 4.09Å; K398-L400 HydrophobicContact CD-CD2 4.21Å
399	I	95.3	Very high	96.2	Very high	1 Å²	1	34 Å²	34	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	152.6	167.9	58.5	155.4	0	0	0	111	A166 H195 I197 A468	A166-I399 HydrophobicContact CB-CG2 4.35Å; H195-I399 HydrophobicContact CB-CD1 4.21Å; H195-I399 HydrophobicContact CB-CG1 3.88Å; H195-I399 PolarHBondContact N-O 2.81Å; H195-I399 PolarHBondContact O-N 3.16Å; I197-I399 HydrophobicContact CD1-CB 4.4Å; I197-I399 HydrophobicContact CD1-CD1 3.89Å; I197-I399 HydrophobicContact CD1-CG1 3.98Å; I197-I399 HydrophobicContact CD1-CG2 3.56Å; I197-I399 HydrophobicContact CG1-CG1 4.2Å; I197-I399 HydrophobicContact CG1-CG2 4.01Å; I197-I399 HydrophobicContact CG2-CD1 4.44Å; I197-I399 HydrophobicContact CG2-CG1 4.45Å; I399-A468 HydrophobicContact CD1-CB 4.41Å; I399-A468 HydrophobicContact CG2-CB 4.16Å
400	L	96.8	Very high	96	Very high	10 Å²	10	36.3 Å²	36.3	5%	0.052	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	113.4	178.8	-60.8	-179.5	0	0	0	109.8	E172 A175 Y192 E194 K398 R422	E172-L400 HydrophobicContact CG-CD1 3.96Å; A175-L400 HydrophobicContact CB-CB 4.07Å; A175-L400 HydrophobicContact CB-CD1 4.12Å; Y192-L400 HydrophobicContact CD1-CB 4.45Å; Y192-L400 HydrophobicContact CD1-CD1 4.45Å; Y192-L400 HydrophobicContact CE1-CD1 4.44Å; E194-L400 HydrophobicContact CB-CD2 4.3Å; E194-L400 HydrophobicContact CG-CD2 3.66Å; E194-L400 WeakPolarHBondContact OE1-CD2 3.33Å; K398-L400 HydrophobicContact CD-CD2 4.21Å; L400-R422 VanDerWaalsContact O-CZ 3.28Å; L400-R422 PolarHBondContact O-NH1 2.69Å; L400-R422 PolarHBondContact O-NH2 3.34Å
401	N	98	Very high	95.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	140.2	159.8	-63.8	-33.5	0	0	0	108.3	Y192 D193 F403 S465 W466 S467 G475	Y192-N401 WeakPolarHBondContact CA-O 3.49Å; D193-N401 HydrophobicContact CB-CB 4.16Å; D193-N401 PolarHBondContact N-O 3.37Å; D193-N401 PolarHBondContact O-N 2.9Å; N401-F403 HydrophobicContact CB-CD2 4.41Å; N401-F403 HydrophobicContact CB-CE2 3.85Å; N401-S465 WeakPolarHBondContact CA-O 3.2Å; N401-W466 HydrophobicContact CB-CE3 4.24Å; N401-W466 HydrophobicContact CB-CZ3 4.43Å; N401-S467 PolarHBondContact OD1-N 3.14Å; N401-G475 PolarHBondContact ND2-O 3.06Å
402	V	98.7	Very high	95.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	126.3	178.1	-171.6	0	0	0	0	109.5	A175 I178 H179 F182 Y192 A464 S465	A175-V402 HydrophobicContact CB-CG2 3.79Å; I178-V402 HydrophobicContact CG2-CB 4.38Å; I178-V402 HydrophobicContact CG2-CG1 4.11Å; H179-V402 HydrophobicContact CB-CG1 3.79Å; F182-V402 HydrophobicContact CD2-CG1 4.19Å; F182-V402 HydrophobicContact CE2-CG1 4.36Å; Y192-V402 HydrophobicContact CD1-CG2 3.98Å; Y192-V402 HydrophobicContact CE1-CG2 3.94Å; V402-A464 WeakPolarHBondContact O-CA 3.36Å; V402-S465 PolarHBondContact N-O 3.23Å; V402-S465 PolarHBondContact O-N 3.35Å
403	F	98.8	Very high	95.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	141.3	-178	-73.6	-83.1	0	0	0	111.8	V190 W191 D193 N401 I462 F463 A464 W466 W479	V190-F403 VanDerWaalsContact CA-O 3.3Å; V190-F403 WeakPolarHBondContact CA-O 3.43Å; V190-F403 VanDerWaalsContact CG1-O 3.31Å; V190-F403 WeakPolarHBondContact CG1-O 3.45Å; W191-F403 HydrophobicContact CD2-CB 3.59Å; W191-F403 HydrophobicContact CD2-CG 4.46Å; W191-F403 AromaticContact CE2-CG 3.73Å; W191-F403 HydrophobicContact CE3-CB 3.92Å; W191-F403 HydrophobicContact CG-CB 4.19Å; W191-F403 HydrophobicContact CH2-CB 3.78Å; W191-F403 HydrophobicContact CH2-CG 4.41Å; W191-F403 HydrophobicContact CZ2-CB 3.43Å; W191-F403 VanDerWaalsContact CZ2-CB 3.43Å; W191-F403 HydrophobicContact CZ2-CD1 4.07Å; W191-F403 HydrophobicContact CZ2-CD2 4.34Å; W191-F403 AromaticContact CZ2-CG 3.72Å; W191-F403 HydrophobicContact CZ2-CG 3.72Å; W191-F403 HydrophobicContact CZ3-CB 4Å; W191-F403 PolarHBondContact N-O 3.22Å; W191-F403 AromaticContact NE1-CD2 3.6Å; W191-F403 AromaticContact NE1-CG 3.81Å; W191-F403 PolarHBondContact O-N 3.41Å; D193-F403 HydrophobicContact CB-CD2 3.99Å; D193-F403 HydrophobicContact CB-CE2 3.72Å; N401-F403 HydrophobicContact CB-CD2 4.41Å; N401-F403 HydrophobicContact CB-CE2 3.85Å; F403-I462 HydrophobicContact CD1-CG2 3.68Å; F403-I462 HydrophobicContact CE1-CG2 4.23Å; F403-F463 WeakPolarHBondContact CA-O 3.26Å; F403-A464 HydrophobicContact CD1-CB 3.85Å; F403-A464 HydrophobicContact CE1-CB 3.6Å; F403-A464 HydrophobicContact CZ-CB 4.4Å; F403-W466 AromaticContact CE1-CH2 3.82Å; F403-W466 HydrophobicContact CE1-CH2 3.82Å; F403-W466 HydrophobicContact CE1-CZ3 4.16Å; F403-W466 HydrophobicContact CE2-CZ3 4.25Å; F403-W466 AromaticContact CZ-CH2 3.55Å; F403-W466 HydrophobicContact CZ-CH2 3.55Å; F403-W466 AromaticContact CZ-CZ3 3.48Å; F403-W466 HydrophobicContact CZ-CZ3 3.48Å; F403-W466 VanDerWaalsContact CZ-CZ3 3.48Å; F403-W479 HydrophobicContact CE1-CD2 4.46Å; F403-W479 AromaticContact CE1-CE2 3.93Å; F403-W479 HydrophobicContact CE1-CZ2 4.12Å; F403-W479 AromaticContact CE1-NE1 3.95Å; F403-W479 AromaticContact CE2-CD1 3.77Å; F403-W479 HydrophobicContact CE2-CG 4.43Å; F403-W479 AromaticContact CE2-NE1 3.82Å; F403-W479 AromaticContact CZ-CD1 3.45Å; F403-W479 VanDerWaalsContact CZ-CD1 3.45Å; F403-W479 AromaticContact CZ-CD2 3.89Å; F403-W479 HydrophobicContact CZ-CD2 3.89Å; F403-W479 AromaticContact CZ-CE2 3.6Å; F403-W479 AromaticContact CZ-CG 3.8Å; F403-W479 HydrophobicContact CZ-CG 3.8Å; F403-W479 HydrophobicContact CZ-CZ2 4.26Å; F403-W479 AromaticContact CZ-NE1 3.3Å; F403-W479 VanDerWaalsContact CZ-NE1 3.3Å
404	G	98.6	Very high	95.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	140.8	167.6	0	0	0	0	0	110.1	K189 I462 F463	K189-G404 CarbonylContact O-C 3.59Å; K189-G404 WeakPolarHBondContact O-CA 3.25Å; G404-I462 CarbonylContact O-C 3.6Å; G404-I462 WeakPolarHBondContact O-CA 3.44Å; G404-F463 PolarHBondContact N-O 3.04Å; G404-F463 PolarHBondContact O-N 3.08Å
405	A	98.6	Very high	96.1	Very high	2 Å²	2	32.4 Å²	32.4	2%	0.017	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	139.5	-177.5	0	0	0	0	0	112.8	L11 D188 K189 W191 I461 I462	L11-A405 HydrophobicContact CD2-CB 4.18Å; D188-A405 PolarHBondContact N-O 2.96Å; K189-A405 HydrophobicContact CB-CB 4.48Å; K189-A405 PolarHBondContact N-O 2.83Å; K189-A405 PolarHBondContact O-N 3.12Å; W191-A405 HydrophobicContact CH2-CB 4.1Å; W191-A405 HydrophobicContact CZ3-CB 3.81Å; A405-I461 WeakPolarHBondContact CA-O 3.5Å; A405-I462 HydrophobicContact CB-CG1 4.37Å
406	I	98.6	Very high	96.4	Very high	2 Å²	2	31 Å²	31	1%	0.01	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	128.2	163.4	-60.7	175.4	0	0	0	106.9	L187 D188 I446 V450 P457 S460 I461 F463	L187-I406 HydrophobicContact CD2-CD1 4Å; L187-I406 HydrophobicContact CD2-CG1 3.73Å; D188-I406 WeakPolarHBondContact OD2-CA 3.42Å; I406-I446 HydrophobicContact CD1-CB 4.17Å; I406-I446 HydrophobicContact CD1-CG2 3.72Å; I406-V450 HydrophobicContact CG2-CG2 4.12Å; I406-P457 HydrophobicContact CG2-CG 4.19Å; I406-S460 CarbonylContact O-C 3.59Å; I406-S460 VanDerWaalsContact O-CA 3.24Å; I406-S460 WeakPolarHBondContact O-CA 3.27Å; I406-S460 WeakPolarHBondContact O-CB 3.36Å; I406-I461 HydrophobicContact CB-CB 4.45Å; I406-I461 PolarHBondContact N-O 3.13Å; I406-I461 PolarHBondContact O-N 3.48Å; I406-F463 HydrophobicContact CD1-CE2 3.86Å; I406-F463 HydrophobicContact CD1-CZ 4.33Å; I406-F463 HydrophobicContact CG1-CE2 4.14Å
407	K	98	Very high	96.7	Very high	87 Å²	87	26.6 Å²	26.6	38%	0.378	12%	0.123	S	C	.	.			trans	-84.5	133.7	-174.1	-172	172.4	177.9	171.7	0	112	L11 D188 P412	L11-K407 HydrophobicContact CD1-CD 4.18Å; D188-K407 PolarHBondContact OD2-N 3.1Å; K407-P412 HydrophobicContact CD-CB 4.33Å; K407-P412 VanDerWaalsContact CE-CB 3.45Å; K407-P412 HydrophobicContact CG-CB 3.87Å
408	G	96.7	Very high	97.1	Very high	6 Å²	6	23.5 Å²	23.5	6%	0.062	11%	0.111	C	C	.	.			trans	-67.3	142.4	173.1	0	0	0	0	0	112.9	P412 P457 R458 R459 S460	G408-P412 WeakPolarHBondContact O-CB 3.44Å; G408-P457 CarbonylContact C-O 3.52Å; G408-P457 WeakPolarHBondContact CA-O 3.27Å; G408-R458 CarbonylContact C-O 3.57Å; G408-R458 WeakPolarHBondContact CA-O 3.23Å; G408-R459 VanDerWaalsContact CA-C 3.48Å; G408-S460 PolarHBondContact N-OG 2.66Å
409	F	94.9	Very high	97.3	Very high	120 Å²	120	20.5 Å²	20.5	53%	0.526	10%	0.098	S	C	.	.	S	Bend	trans	-83.4	-17	-177.5	-78.2	-103.6	0	0	0	114.2	V450 K456 P457 R458	F409-V450 HydrophobicContact CE2-CG1 4.2Å; F409-V450 HydrophobicContact CZ-CG1 4.49Å; F409-K456 HydrophobicContact CD1-CB 4.36Å; F409-K456 HydrophobicContact CD1-CD 4.41Å; F409-K456 HydrophobicContact CD1-CG 4.2Å; F409-K456 HydrophobicContact CD2-CB 3.99Å; F409-K456 HydrophobicContact CD2-CG 4.37Å; F409-K456 HydrophobicContact CE1-CD 4.38Å; F409-K456 HydrophobicContact CE1-CG 4.04Å; F409-K456 HydrophobicContact CE2-CB 4.25Å; F409-K456 HydrophobicContact CE2-CG 4.22Å; F409-K456 HydrophobicContact CG-CB 4.05Å; F409-K456 HydrophobicContact CG-CG 4.36Å; F409-K456 HydrophobicContact CZ-CG 4.05Å; F409-P457 HydrophobicContact CD2-CG 4.37Å; F409-P457 WeakPolarHBondContact CD2-O 3.31Å; F409-P457 PolarHBondContact N-O 3.05Å; F409-R458 PolarHBondContact N-O 3.15Å
410	E	93.3	Very high	97.4	Very high	103 Å²	103	20.4 Å²	20.4	48%	0.481	10%	0.098	S	C	.	.	S	Bend	trans	-127.7	-45.3	-176.7	-66	-179.7	177.8	0	0	112.5	P412 R458	E410-P412 WeakPolarHBondContact O-CD 3.22Å; E410-R458 HydrophobicContact CB-CB 4.24Å; E410-R458 HydrophobicContact CG-CG 4.46Å; E410-R458 PolarHBondContact N-O 2.95Å; E410-R458 IonicContact OE1-CZ 3.54Å; E410-R458 IonicContact OE1-NH1 3.18Å; E410-R458 PolarHBondContact OE1-NH1 3.17Å; E410-R458 VanDerWaalsContact OE2-CD 3.26Å; E410-R458 WeakPolarHBondContact OE2-CD 3.38Å; E410-R458 WeakPolarHBondContact OE2-CG 3.44Å; E410-R458 IonicContact OE2-CZ 2.68Å; E410-R458 IonicContact OE2-NE 2.75Å; E410-R458 IonicContact OE2-NH1 2.77Å; E410-R458 PolarHBondContact OE2-NH1 3.05Å
411	E	95.4	Very high	97.5	Very high	14 Å²	14	20.6 Å²	20.6	7%	0.065	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	65.1	178.2	-66.8	-178.2	126.9	0	0	109.6	D413 R414 R458 R459 R692	E411-D413 PolarHBondContact O-N 2.79Å; E411-R414 HydrophobicContact CB-CB 4.13Å; E411-R414 HydrophobicContact CB-CG 4.03Å; E411-R414 PolarHBondContact O-N 3.39Å; E411-R414 VanDerWaalsContact O-N 3.09Å; E411-R458 PolarHBondContact N-O 3.28Å; E411-R459 HydrophobicContact CB-CG 3.95Å; E411-R459 IonicContact OE2-CZ 3.92Å; E411-R459 IonicContact OE2-NE 3.81Å; E411-R459 PolarHBondContact OE2-NE 3.43Å; E411-R459 IonicContact OE2-NH2 3.57Å; E411-R459 PolarHBondContact OE2-NH2 3.38Å; E411-R692 WeakPolarHBondContact OE1-CB 3.33Å; E411-R692 WeakPolarHBondContact OE1-CG 3.48Å
412	P	96.3	Very high	97.5	Very high	33 Å²	33	20.6 Å²	20.6	21%	0.214	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	-30	-175.9	23.3	-33.7	0	0	0	113.1	F12 K407 G408 E410 R414 S460	F12-P412 WeakPolarHBondContact CD1-O 3.27Å; F12-P412 WeakPolarHBondContact CE1-O 3.26Å; K407-P412 HydrophobicContact CD-CB 4.33Å; K407-P412 VanDerWaalsContact CE-CB 3.45Å; K407-P412 HydrophobicContact CG-CB 3.87Å; G408-P412 WeakPolarHBondContact O-CB 3.44Å; E410-P412 WeakPolarHBondContact O-CD 3.22Å; P412-R414 PolarHBondContact O-N 3.21Å; P412-S460 WeakPolarHBondContact O-CB 3.29Å; P412-S460 PolarHBondContact O-OG 2.92Å
413	D	95.8	Very high	97.4	Very high	31 Å²	31	20.6 Å²	20.6	17%	0.166	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	8.8	179.2	67.6	-50.7	0	0	0	114.2	F12 E411 R692	F12-D413 HydrophobicContact CB-CB 3.85Å; F12-D413 HydrophobicContact CD1-CB 4.33Å; F12-D413 HydrophobicContact CG-CB 4.25Å; E411-D413 PolarHBondContact O-N 2.79Å; D413-R692 IonicContact OD1-CZ 2.69Å; D413-R692 IonicContact OD1-NH1 3.83Å; D413-R692 PolarHBondContact OD1-NH1 2.8Å; D413-R692 IonicContact OD1-NH2 3.69Å; D413-R692 PolarHBondContact OD1-NH2 3.43Å; D413-R692 IonicContact OD2-CZ 3.43Å; D413-R692 IonicContact OD2-NH1 2.69Å; D413-R692 IonicContact OD2-NH2 2.69Å; D413-R692 PolarHBondContact OD2-NH2 3.19Å
414	R	97.3	Very high	97.2	Very high	18 Å²	18	20.6 Å²	20.6	7%	0.068	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	137	169.2	-61.4	-67.7	175.4	-80.7	-4.8	108.9	E411 P412 R459 S460 A489 K490 F492 D696 M699	E411-R414 HydrophobicContact CB-CB 4.13Å; E411-R414 HydrophobicContact CB-CG 4.03Å; E411-R414 PolarHBondContact O-N 3.39Å; E411-R414 VanDerWaalsContact O-N 3.09Å; P412-R414 PolarHBondContact O-N 3.21Å; R414-R459 HydrophobicContact CB-CB 4.37Å; R414-R459 HydrophobicContact CB-CG 3.99Å; R414-S460 PolarHBondContact O-N 3.37Å; R414-A489 VanDerWaalsContact CZ-O 3.23Å; R414-A489 PolarHBondContact NH1-O 3.4Å; R414-A489 VanDerWaalsContact NH1-O 3.11Å; R414-K490 CarbonylContact C-O 3.54Å; R414-K490 WeakPolarHBondContact CA-O 3.39Å; R414-F492 HydrophobicContact CB-CD1 4.17Å; R414-F492 HydrophobicContact CB-CE1 4.28Å; R414-D696 IonicContact CZ-OD1 3.32Å; R414-D696 IonicContact NE-OD1 2.97Å; R414-D696 PolarHBondContact NE-OD1 2.75Å; R414-D696 IonicContact NH2-OD1 2.7Å; R414-D696 PolarHBondContact NH2-OD1 3.39Å; R414-D696 IonicContact NH2-OD2 3.44Å; R414-D696 PolarHBondContact NH2-OD2 2.94Å; R414-M699 VanDerWaalsContact CD-SD 3.52Å
415	Y	97.5	Very high	97	Very high	3 Å²	3	22 Å²	22	1%	0.012	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	148.2	-178.7	46.5	-94.4	0	0	0	116.3	F12 V417 S460 I462 W479 L487 K490 A491 F492	F12-Y415 HydrophobicContact CD2-CE1 4.12Å; F12-Y415 HydrophobicContact CE1-CD1 4.18Å; F12-Y415 HydrophobicContact CE1-CE1 4.45Å; F12-Y415 AromaticContact CE2-CD1 3.83Å; F12-Y415 HydrophobicContact CE2-CD1 3.83Å; F12-Y415 AromaticContact CE2-CE1 3.31Å; F12-Y415 HydrophobicContact CE2-CE1 3.31Å; F12-Y415 AromaticContact CZ-CD1 3.5Å; F12-Y415 HydrophobicContact CZ-CD1 3.5Å; F12-Y415 AromaticContact CZ-CE1 3.52Å; F12-Y415 HydrophobicContact CZ-CE1 3.52Å; Y415-V417 HydrophobicContact CD2-CG2 3.67Å; Y415-V417 HydrophobicContact CE2-CG2 3.91Å; Y415-S460 WeakPolarHBondContact CA-O 3.46Å; Y415-S460 WeakPolarHBondContact CB-O 3.29Å; Y415-I462 HydrophobicContact CD1-CD1 3.99Å; Y415-I462 HydrophobicContact CD2-CD1 3.52Å; Y415-I462 HydrophobicContact CD2-CG1 4.18Å; Y415-I462 HydrophobicContact CE1-CD1 4.18Å; Y415-I462 HydrophobicContact CE2-CD1 3.72Å; Y415-I462 HydrophobicContact CG-CD1 3.65Å; Y415-I462 HydrophobicContact CG-CG1 4.15Å; Y415-W479 HydrophobicContact CE2-CH2 4.46Å; Y415-L487 HydrophobicContact CE2-CD1 4.23Å; Y415-L487 VanDerWaalsContact OH-CD1 3.25Å; Y415-L487 WeakPolarHBondContact OH-CD1 3.44Å; Y415-K490 HydrophobicContact CD1-CB 4.22Å; Y415-K490 HydrophobicContact CE1-CB 3.49Å; Y415-K490 VanDerWaalsContact CE1-CB 3.49Å; Y415-K490 HydrophobicContact CE1-CD 4.27Å; Y415-K490 HydrophobicContact CE1-CG 4.46Å; Y415-K490 PolarHBondContact N-O 3.38Å; Y415-A491 HydrophobicContact CD2-CB 3.99Å; Y415-A491 HydrophobicContact CE2-CB 3.63Å; Y415-A491 WeakPolarHBondContact O-CA 3.34Å; Y415-F492 VanDerWaalsContact C-CZ 3.49Å; Y415-F492 VanDerWaalsContact CA-CE1 3.47Å; Y415-F492 VanDerWaalsContact O-CD1 3.31Å; Y415-F492 WeakPolarHBondContact O-CD1 3.28Å; Y415-F492 WeakPolarHBondContact O-CE1 3.23Å; Y415-F492 PolarHBondContact O-N 3.11Å
416	V	98.6	Very high	96.8	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	138.2	158.2	58.7	0	0	0	0	108.6	I418 S460 I461 I462 F492 T493 I495 T622	V416-I418 HydrophobicContact CG2-CG1 4.46Å; V416-S460 PolarHBondContact N-O 3.39Å; V416-I461 HydrophobicContact CG1-CB 4.25Å; V416-I461 HydrophobicContact CG1-CG1 3.84Å; V416-I461 HydrophobicContact CG1-CG2 4.16Å; V416-I462 PolarHBondContact O-N 3.24Å; V416-F492 HydrophobicContact CB-CE2 3.68Å; V416-F492 HydrophobicContact CB-CZ 3.71Å; V416-F492 HydrophobicContact CG1-CZ 4.3Å; V416-F492 VanDerWaalsContact N-CZ 3.26Å; V416-T493 HydrophobicContact CG2-CG2 4.33Å; V416-I495 HydrophobicContact CG2-CD1 3.76Å; V416-I495 HydrophobicContact CG2-CG1 3.99Å; V416-T622 HydrophobicContact CG1-CG2 3.79Å
417	V	98.8	Very high	96.7	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	127.7	172.2	-177	0	0	0	0	108.6	Y415 I462 A464 W466 W479 A491 T493 Y494 I495 F564	Y415-V417 HydrophobicContact CD2-CG2 3.67Å; Y415-V417 HydrophobicContact CE2-CG2 3.91Å; V417-I462 CarbonylContact C-O 3.59Å; V417-I462 WeakPolarHBondContact CA-O 3.38Å; V417-I462 HydrophobicContact CG2-CB 4.45Å; V417-A464 HydrophobicContact CG1-CB 4.18Å; V417-W466 HydrophobicContact CG1-CZ2 4.46Å; V417-W479 HydrophobicContact CG2-CH2 4.21Å; V417-A491 HydrophobicContact CG2-CB 4.47Å; V417-T493 PolarHBondContact N-O 3.04Å; V417-Y494 HydrophobicContact CB-CD2 3.89Å; V417-Y494 HydrophobicContact CG1-CD2 3.73Å; V417-Y494 HydrophobicContact CG1-CE2 3.97Å; V417-Y494 CarbonylContact O-C 3.54Å; V417-Y494 WeakPolarHBondContact O-CA 3.46Å; V417-I495 PolarHBondContact O-N 3.2Å; V417-F564 HydrophobicContact CB-CE1 4.43Å; V417-F564 HydrophobicContact CG1-CE1 4.43Å; V417-F564 HydrophobicContact CG1-CZ 4.33Å
418	I	98.8	Very high	96.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	113.7	175.1	-51.4	-179.9	0	0	0	106.9	V416 L439 I461 I462 F463 A464 I495 L497 A618	V416-I418 HydrophobicContact CG2-CG1 4.46Å; I418-L439 HydrophobicContact CB-CD1 4.37Å; I418-L439 HydrophobicContact CG2-CD1 3.98Å; I418-L439 VanDerWaalsContact O-CD1 3.29Å; I418-L439 WeakPolarHBondContact O-CD1 3.47Å; I418-I461 HydrophobicContact CD1-CG2 3.92Å; I418-I461 HydrophobicContact CG1-CG2 4.46Å; I418-I462 PolarHBondContact N-O 3.4Å; I418-F463 HydrophobicContact CB-CD1 4.27Å; I418-F463 HydrophobicContact CD1-CD1 4.23Å; I418-F463 HydrophobicContact CD1-CE1 3.79Å; I418-F463 HydrophobicContact CD1-CZ 4.49Å; I418-F463 CarbonylContact O-C 3.55Å; I418-F463 WeakPolarHBondContact O-CA 3.19Å; I418-A464 PolarHBondContact O-N 3.42Å; I418-I495 WeakPolarHBondContact CA-O 3.22Å; I418-I495 HydrophobicContact CG1-CB 4.46Å; I418-I495 HydrophobicContact CG1-CD1 4.33Å; I418-L497 HydrophobicContact CG2-CD1 3.7Å; I418-L497 HydrophobicContact CG2-CD2 4.42Å; I418-L497 HydrophobicContact CG2-CG 4.11Å; I418-A618 HydrophobicContact CD1-CB 3.68Å
419	G	98.6	Very high	96.6	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	145.4	-170.7	0	0	0	0	0	114.2	A464 Y494 I495 L497	G419-A464 WeakPolarHBondContact CA-O 3.35Å; G419-Y494 WeakPolarHBondContact CA-OH 3.13Å; G419-I495 PolarHBondContact N-O 2.82Å; G419-L497 WeakPolarHBondContact O-CB 3.39Å; G419-L497 WeakPolarHBondContact O-CG 3.17Å; G419-L497 PolarHBondContact O-N 2.78Å
420	A	98.4	Very high	96.7	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	137	168.9	0	0	0	0	0	111.7	L439 A464 S465 W466 L497	A420-L439 HydrophobicContact CB-CB 4.14Å; A420-L439 HydrophobicContact CB-CD2 4.13Å; A420-A464 PolarHBondContact N-O 3.25Å; A420-S465 WeakPolarHBondContact O-CA 3.19Å; A420-W466 PolarHBondContact O-N 3.4Å; A420-L497 HydrophobicContact CB-CB 4.09Å; A420-L497 HydrophobicContact CB-CD1 4.48Å
421	Q	97.7	Very high	96.8	Very high	13 Å²	13	9 Å²	9	6%	0.061	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	139.4	164.8	-172.8	-178.8	-0.2	0	0	110.7	D423 A432 T436 D498	Q421-D423 VanDerWaalsContact CG-OD1 3.23Å; Q421-D423 WeakPolarHBondContact CG-OD1 3.25Å; Q421-D423 VanDerWaalsContact NE2-CG 3.34Å; Q421-D423 PolarHBondContact NE2-O 2.88Å; Q421-D423 VanDerWaalsContact NE2-O 3.14Å; Q421-D423 PolarHBondContact NE2-OD1 2.84Å; Q421-D423 PolarHBondContact NE2-OD2 3.01Å; Q421-A432 HydrophobicContact CB-CB 4.45Å; Q421-A432 HydrophobicContact CG-CB 4.32Å; Q421-A432 WeakPolarHBondContact O-CB 3.35Å; Q421-T436 PolarHBondContact O-OG1 3.46Å; Q421-D498 WeakPolarHBondContact CB-OD1 3.15Å; Q421-D498 PolarHBondContact N-OD1 2.66Å
422	R	97.4	Very high	96.8	Very high	1 Å²	1	8.3 Å²	8.3	0%	0.004	4%	0.042	C	C	.	.			trans	-114.8	-34.3	177.8	-171	-173.3	66.1	-118	3.6	113.9	R158 D171 M174 I178 L400 S465 W466	R158-R422 PolarHBondContact NH2-O 3.13Å; D171-R422 PolarHBondContact O-NE 3.01Å; D171-R422 IonicContact OD1-CZ 3.89Å; D171-R422 IonicContact OD1-NE 3.69Å; D171-R422 PolarHBondContact OD1-NE 2.88Å; D171-R422 IonicContact OD1-NH2 2.69Å; D171-R422 PolarHBondContact OD1-NH2 3.15Å; D171-R422 IonicContact OD2-NH2 3.09Å; M174-R422 HydrophobicContact CB-CG 4.1Å; M174-R422 HydrophobicContact CG-CG 3.6Å; I178-R422 HydrophobicContact CD1-CG 3.98Å; L400-R422 VanDerWaalsContact O-CZ 3.28Å; L400-R422 PolarHBondContact O-NH1 2.69Å; L400-R422 PolarHBondContact O-NH2 3.34Å; R422-S465 WeakPolarHBondContact CB-OG 3.42Å; R422-S465 WeakPolarHBondContact CD-OG 3.27Å; R422-S465 PolarHBondContact NH1-O 3.49Å; R422-S465 PolarHBondContact NH1-OG 2.93Å; R422-W466 VanDerWaalsContact CB-O 3.28Å; R422-W466 WeakPolarHBondContact CB-O 3.36Å; R422-W466 PolarHBondContact N-O 2.96Å
423	D	97.1	Very high	96.9	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	3%	0.033	C	C	.	.			trans	-71.3	156.2	177.5	60.5	-67.1	0	0	0	112	F164 A166 Q421 A432 S467 A468 G469 E470	F164-D423 CarbonylContact O-C 3.34Å; F164-D423 VanDerWaalsContact O-CA 3.24Å; F164-D423 WeakPolarHBondContact O-CA 3.36Å; F164-D423 WeakPolarHBondContact O-CB 3.36Å; A166-D423 HydrophobicContact CB-CB 3.96Å; Q421-D423 VanDerWaalsContact CG-OD1 3.23Å; Q421-D423 WeakPolarHBondContact CG-OD1 3.25Å; Q421-D423 VanDerWaalsContact NE2-CG 3.34Å; Q421-D423 PolarHBondContact NE2-O 2.88Å; Q421-D423 VanDerWaalsContact NE2-O 3.14Å; Q421-D423 PolarHBondContact NE2-OD1 2.84Å; Q421-D423 PolarHBondContact NE2-OD2 3.01Å; D423-A432 WeakPolarHBondContact O-CB 3.28Å; D423-S467 WeakPolarHBondContact OD1-CA 3.47Å; D423-A468 PolarHBondContact OD1-N 2.92Å; D423-A468 WeakPolarHBondContact OD2-CA 3.45Å; D423-A468 PolarHBondContact OD2-N 2.97Å; D423-G469 VanDerWaalsContact CG-N 3.27Å; D423-G469 PolarHBondContact OD1-N 3.46Å; D423-G469 PolarHBondContact OD2-N 2.9Å; D423-E470 PolarHBondContact OD2-N 2.67Å
424	S	95.9	Very high	97	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.025	C	C	.	.	B	Isolated β-bridge	trans	-165.2	142.7	166.5	64.8	0	0	0	0	114.5	R158 S163 F164 E165 G426 G428 E470	R158-S424 PolarHBondContact NH1-OG 2.8Å; R158-S424 PolarHBondContact NH2-OG 2.77Å; R158-S424 VanDerWaalsContact NH2-OG 3.08Å; S163-S424 PolarHBondContact OG-O 3.2Å; F164-S424 CarbonylContact C-O 3.6Å; F164-S424 WeakPolarHBondContact CA-O 3.35Å; F164-S424 PolarHBondContact N-O 3.23Å; F164-S424 PolarHBondContact O-N 2.96Å; E165-S424 PolarHBondContact N-O 2.84Å; E165-S424 VanDerWaalsContact N-O 3.09Å; S424-G426 PolarHBondContact O-N 2.74Å; S424-G426 PolarHBondContact OG-O 3.02Å; S424-G428 WeakPolarHBondContact OG-CA 3.33Å; S424-E470 VanDerWaalsContact CA-OE1 3.23Å; S424-E470 WeakPolarHBondContact CA-OE1 3.49Å
425	W	94.5	Very high	97	Very high	29 Å²	29	4.5 Å²	4.5	11%	0.11	2%	0.022	C	C	.	.	S	Bend	trans	-76.6	116.9	166.9	-170.4	90.4	0	0	0	109	A225 Y226 F307 E470 T590	A225-W425 HydrophobicContact CB-CH2 3.44Å; A225-W425 VanDerWaalsContact CB-CH2 3.44Å; A225-W425 HydrophobicContact CB-CZ2 3.7Å; A225-W425 HydrophobicContact CB-CZ3 4.04Å; Y226-W425 AromaticContact CE1-NE1 3.7Å; F307-W425 HydrophobicContact CB-CB 4.04Å; F307-W425 HydrophobicContact CB-CD2 3.62Å; F307-W425 HydrophobicContact CB-CE3 3.61Å; F307-W425 HydrophobicContact CB-CG 3.79Å; F307-W425 HydrophobicContact CB-CZ3 4.3Å; F307-W425 HydrophobicContact CD1-CB 4.09Å; F307-W425 HydrophobicContact CD2-CB 4.31Å; F307-W425 AromaticContact CD2-CD1 3.93Å; F307-W425 HydrophobicContact CD2-CD2 4.42Å; F307-W425 AromaticContact CD2-CG 3.96Å; F307-W425 HydrophobicContact CD2-CG 3.96Å; F307-W425 HydrophobicContact CG-CB 3.86Å; F307-W425 HydrophobicContact CG-CD2 4.18Å; F307-W425 AromaticContact CG-CG 3.82Å; F307-W425 HydrophobicContact CG-CG 3.82Å; W425-E470 VanDerWaalsContact CB-OE2 3.25Å; W425-E470 WeakPolarHBondContact CB-OE2 3.49Å; W425-E470 PolarHBondContact N-OE1 2.73Å; W425-E470 PolarHBondContact N-OE2 3.4Å; W425-T590 HydrophobicContact CH2-CG2 3.63Å; W425-T590 HydrophobicContact CZ2-CG2 4.42Å; W425-T590 HydrophobicContact CZ3-CG2 3.72Å
426	G	93.9	Very high	97	Very high	2 Å²	2	4.8 Å²	4.8	2%	0.021	2%	0.024	C	C	.	.	S	Bend	trans	79.2	-173	-167.5	0	0	0	0	0	112.9	K162 S163 S424 G428	K162-G426 CarbonylContact O-C 3.59Å; K162-G426 VanDerWaalsContact O-CA 3.22Å; K162-G426 WeakPolarHBondContact O-CA 3.33Å; S163-G426 WeakPolarHBondContact CA-O 3.47Å; S163-G426 PolarHBondContact OG-N 3.1Å; S424-G426 PolarHBondContact O-N 2.74Å; S424-G426 PolarHBondContact OG-O 3.02Å; G426-G428 PolarHBondContact O-N 3.2Å
427	P	95.1	Very high	97	Very high	14 Å²	14	4.9 Å²	4.9	9%	0.091	3%	0.025	C	C	.	.			trans	-72.4	-9.9	-169.1	-19.5	34.2	0	0	0	115.6	R158 A429 T590 D592 T593	R158-P427 VanDerWaalsContact NH1-C 3.28Å; R158-P427 PolarHBondContact NH1-O 3.19Å; P427-A429 VanDerWaalsContact C-N 3.25Å; P427-A429 PolarHBondContact O-N 3.1Å; P427-T590 VanDerWaalsContact CD-O 3.29Å; P427-T590 WeakPolarHBondContact CD-O 3.19Å; P427-D592 CarbonylContact C-O 3.54Å; P427-D592 VanDerWaalsContact C-O 3.25Å; P427-D592 WeakPolarHBondContact CB-O 3.48Å; P427-T593 HydrophobicContact CB-CG2 4.4Å; P427-T593 HydrophobicContact CG-CG2 4.12Å
428	G	96.2	Very high	97	Very high	1 Å²	1	4.9 Å²	4.9	1%	0.01	3%	0.025	C	C	.	.			trans	46	34.1	164.6	0	0	0	0	0	117.5	R158 S424 G426 A432 G433 D592	R158-G428 VanDerWaalsContact NH1-CA 3.3Å; R158-G428 PolarHBondContact NH1-O 2.84Å; S424-G428 WeakPolarHBondContact OG-CA 3.33Å; G426-G428 PolarHBondContact O-N 3.2Å; G428-A432 PolarHBondContact O-N 3.11Å; G428-A432 VanDerWaalsContact O-N 3.11Å; G428-G433 PolarHBondContact O-N 2.7Å; G428-D592 VanDerWaalsContact CA-OD2 3.23Å; G428-D592 WeakPolarHBondContact CA-OD2 3.47Å; G428-D592 PolarHBondContact N-O 2.78Å; G428-D592 VanDerWaalsContact N-O 3.11Å
429	A	96.9	Very high	97	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.025	C	C	.	.	I	π-helix	trans	-60	-46.9	-175.2	0	0	0	0	0	112.3	L155 P427 G433 V434 D592 T593 V594 L597	L155-A429 HydrophobicContact CD1-CB 4.49Å; P427-A429 VanDerWaalsContact C-N 3.25Å; P427-A429 PolarHBondContact O-N 3.1Å; A429-G433 CarbonylContact O-C 3.57Å; A429-G433 VanDerWaalsContact O-CA 3.25Å; A429-G433 WeakPolarHBondContact O-CA 3.09Å; A429-G433 PolarHBondContact O-N 2.82Å; A429-V434 PolarHBondContact O-N 2.79Å; A429-D592 WeakPolarHBondContact CB-O 3.41Å; A429-D592 VanDerWaalsContact N-CG 3.34Å; A429-D592 PolarHBondContact N-O 2.83Å; A429-D592 PolarHBondContact N-OD2 3.46Å; A429-D592 VanDerWaalsContact N-OD2 3.1Å; A429-T593 VanDerWaalsContact CB-C 3.45Å; A429-V594 HydrophobicContact CB-CB 4.46Å; A429-V594 HydrophobicContact CB-CG2 3.84Å; A429-L597 HydrophobicContact CB-CB 4.43Å; A429-L597 HydrophobicContact CB-CD2 3.92Å
430	A	96.6	Very high	97	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.025	C	C	.	.	I	π-helix	trans	-78.8	-46.4	175.4	0	0	0	0	0	111.4	A432 A499 L502 Y584 D592 L597	A430-A432 PolarHBondContact O-N 3.38Å; A430-A499 WeakPolarHBondContact O-CA 3.47Å; A430-L502 HydrophobicContact CB-CD2 3.97Å; A430-Y584 HydrophobicContact CB-CD1 4.18Å; A430-Y584 HydrophobicContact CB-CE1 3.51Å; A430-D592 VanDerWaalsContact CB-OD1 3.24Å; A430-D592 WeakPolarHBondContact CB-OD1 3.27Å; A430-D592 VanDerWaalsContact N-CG 3.29Å; A430-D592 PolarHBondContact N-OD1 2.49Å; A430-D592 PolarHBondContact N-OD2 2.54Å; A430-L597 HydrophobicContact CB-CD1 3.97Å; A430-L597 HydrophobicContact CB-CD2 4.22Å
431	K	95.3	Very high	97.1	Very high	29 Å²	29	5 Å²	5	13%	0.126	3%	0.025	C	C	.	.	I	π-helix	trans	-50.2	-59.7	-176	-178	71.5	169	-158	0	112.5	A499 L587 D588 D592	K431-A499 PolarHBondContact O-N 2.85Å; K431-L587 HydrophobicContact CB-CD1 4.13Å; K431-L587 HydrophobicContact CD-CD1 3.9Å; K431-L587 HydrophobicContact CD-CG 4.47Å; K431-D588 VanDerWaalsContact CD-OD1 3.32Å; K431-D588 WeakPolarHBondContact CD-OD1 3.37Å; K431-D588 WeakPolarHBondContact CE-OD1 3.36Å; K431-D588 IonicContact NZ-OD1 3.86Å; K431-D588 PolarHBondContact NZ-OD1 2.96Å; K431-D588 IonicContact NZ-OD2 2.73Å; K431-D588 PolarHBondContact NZ-OD2 3.5Å; K431-D592 PolarHBondContact N-OD2 3.26Å
432	A	96.4	Very high	97.1	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	2%	0.022	C	C	.	.	I	π-helix	trans	-124.2	-27	-171.5	0	0	0	0	0	113	Q421 D423 G428 A430 G435 T436	Q421-A432 HydrophobicContact CB-CB 4.45Å; Q421-A432 HydrophobicContact CG-CB 4.32Å; Q421-A432 WeakPolarHBondContact O-CB 3.35Å; D423-A432 WeakPolarHBondContact O-CB 3.28Å; G428-A432 PolarHBondContact O-N 3.11Å; G428-A432 VanDerWaalsContact O-N 3.11Å; A430-A432 PolarHBondContact O-N 3.38Å; A432-G435 PolarHBondContact O-N 3.02Å; A432-T436 VanDerWaalsContact O-CB 3.3Å; A432-T436 WeakPolarHBondContact O-CB 3.21Å; A432-T436 PolarHBondContact O-N 2.56Å; A432-T436 PolarHBondContact O-OG1 3.33Å
433	G	97.2	Very high	97.2	Very high	3 Å²	3	4.3 Å²	4.3	3%	0.031	2%	0.022	C	C	.	.	I	π-helix	trans	-65.2	-46.1	-176.5	0	0	0	0	0	114.4	G428 A429 T436 A437	G428-G433 PolarHBondContact O-N 2.7Å; A429-G433 CarbonylContact O-C 3.57Å; A429-G433 VanDerWaalsContact O-CA 3.25Å; A429-G433 WeakPolarHBondContact O-CA 3.09Å; A429-G433 PolarHBondContact O-N 2.82Å; G433-T436 PolarHBondContact O-N 2.96Å; G433-A437 WeakPolarHBondContact O-CB 3.4Å; G433-A437 PolarHBondContact O-N 3.4Å
434	V	98.1	Very high	97.2	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-59.5	-49.3	175.5	170.3	0	0	0	0	111	L155 A429 T436 A437 I438 A500 V501 L597 I607	L155-V434 HydrophobicContact CD1-CG2 4.45Å; A429-V434 PolarHBondContact O-N 2.79Å; V434-T436 PolarHBondContact O-N 2.8Å; V434-A437 PolarHBondContact O-N 2.83Å; V434-I438 HydrophobicContact CG1-CD1 3.8Å; V434-I438 WeakPolarHBondContact O-CG1 3.48Å; V434-I438 PolarHBondContact O-N 2.94Å; V434-A500 HydrophobicContact CG1-CB 4.17Å; V434-V501 HydrophobicContact CG1-CB 4.39Å; V434-V501 HydrophobicContact CG1-CG2 4.17Å; V434-L597 HydrophobicContact CG2-CD2 3.82Å; V434-I607 HydrophobicContact CG1-CD1 4.44Å; V434-I607 HydrophobicContact CG1-CG1 4.03Å; V434-I607 HydrophobicContact CG1-CG2 4.46Å; V434-I607 HydrophobicContact CG2-CD1 3.98Å; V434-I607 HydrophobicContact CG2-CG1 4.35Å
435	G	98	Very high	97.4	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-62	-44.5	179.6	0	0	0	0	0	112.8	A432 A437 I438 L439 L497	A432-G435 PolarHBondContact O-N 3.02Å; G435-A437 PolarHBondContact O-N 2.77Å; G435-I438 PolarHBondContact O-N 2.91Å; G435-L439 WeakPolarHBondContact O-CB 3.17Å; G435-L439 PolarHBondContact O-N 3.48Å; G435-L497 WeakPolarHBondContact CA-O 3.4Å
436	T	98.3	Very high	97.6	Very high	9 Å²	9	4.6 Å²	4.6	6%	0.055	2%	0.023	C	C	.	.	H	α-helix	trans	-61	-42.7	176.3	-64.9	0	0	0	0	112.1	I178 Q421 A432 G433 V434 L439 L440	I178-T436 HydrophobicContact CD1-CG2 3.7Å; I178-T436 HydrophobicContact CG1-CG2 4.35Å; Q421-T436 PolarHBondContact O-OG1 3.46Å; A432-T436 VanDerWaalsContact O-CB 3.3Å; A432-T436 WeakPolarHBondContact O-CB 3.21Å; A432-T436 PolarHBondContact O-N 2.56Å; A432-T436 PolarHBondContact O-OG1 3.33Å; G433-T436 PolarHBondContact O-N 2.96Å; V434-T436 PolarHBondContact O-N 2.8Å; T436-L439 PolarHBondContact O-N 3.35Å; T436-L440 HydrophobicContact CG2-CD1 4.28Å; T436-L440 WeakPolarHBondContact O-CG 3.3Å; T436-L440 PolarHBondContact O-N 3.21Å
437	A	98.5	Very high	97.8	Very high	1 Å²	1	4.7 Å²	4.7	1%	0.008	2%	0.023	C	C	.	.	H	α-helix	trans	-65.7	-40.2	177.5	0	0	0	0	0	112.3	L151 D154 L155 G433 V434 G435 E441	L151-A437 WeakPolarHBondContact CD2-O 3.26Å; D154-A437 HydrophobicContact CB-CB 4.21Å; L155-A437 HydrophobicContact CB-CB 4.49Å; G433-A437 WeakPolarHBondContact O-CB 3.4Å; G433-A437 PolarHBondContact O-N 3.4Å; V434-A437 PolarHBondContact O-N 2.83Å; G435-A437 PolarHBondContact O-N 2.77Å; A437-E441 PolarHBondContact O-N 3.36Å; A437-E441 VanDerWaalsContact O-N 3.13Å
438	I	98.8	Very high	97.9	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-64.7	-42.8	174.6	-65.2	166.3	0	0	0	110.8	L151 V434 G435 L440 E441 L442 L497 A500 I607 A610 A611	L151-I438 HydrophobicContact CD2-CG1 4.38Å; V434-I438 HydrophobicContact CG1-CD1 3.8Å; V434-I438 WeakPolarHBondContact O-CG1 3.48Å; V434-I438 PolarHBondContact O-N 2.94Å; G435-I438 PolarHBondContact O-N 2.91Å; I438-L440 PolarHBondContact O-N 3.06Å; I438-E441 PolarHBondContact O-N 3.47Å; I438-L442 HydrophobicContact CG2-CD1 3.73Å; I438-L442 HydrophobicContact CG2-CG 4.2Å; I438-L442 WeakPolarHBondContact O-CB 3.36Å; I438-L442 WeakPolarHBondContact O-CG 3.48Å; I438-L442 PolarHBondContact O-N 3.41Å; I438-L497 HydrophobicContact CB-CD1 4.22Å; I438-L497 HydrophobicContact CG2-CD1 3.83Å; I438-L497 HydrophobicContact CG2-CD2 3.95Å; I438-L497 HydrophobicContact CG2-CG 4.41Å; I438-A500 HydrophobicContact CD1-CB 3.99Å; I438-I607 HydrophobicContact CD1-CG2 4.1Å; I438-I607 HydrophobicContact CG1-CG2 3.74Å; I438-A610 HydrophobicContact CD1-CB 3.83Å; I438-A611 HydrophobicContact CG1-CB 4.31Å; I438-A611 HydrophobicContact CG2-CB 3.75Å
439	L	98.8	Very high	98	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-59.9	-46.7	179.1	-172.7	73.3	0	0	0	111.8	F182 I418 A420 G435 T436 A443 F463 A464 L497	F182-L439 HydrophobicContact CZ-CD2 4.1Å; F182-L439 HydrophobicContact CZ-CG 4.28Å; I418-L439 HydrophobicContact CB-CD1 4.37Å; I418-L439 HydrophobicContact CG2-CD1 3.98Å; I418-L439 VanDerWaalsContact O-CD1 3.29Å; I418-L439 WeakPolarHBondContact O-CD1 3.47Å; A420-L439 HydrophobicContact CB-CB 4.14Å; A420-L439 HydrophobicContact CB-CD2 4.13Å; G435-L439 WeakPolarHBondContact O-CB 3.17Å; G435-L439 PolarHBondContact O-N 3.48Å; T436-L439 PolarHBondContact O-N 3.35Å; L439-A443 WeakPolarHBondContact O-CB 3.47Å; L439-A443 PolarHBondContact O-N 3.5Å; L439-F463 HydrophobicContact CD1-CB 4.05Å; L439-F463 HydrophobicContact CD1-CD1 4.08Å; L439-A464 WeakPolarHBondContact CD2-O 3.33Å; L439-L497 HydrophobicContact CB-CD1 3.91Å; L439-L497 HydrophobicContact CD1-CD1 3.99Å
440	L	98.8	Very high	98	Very high	2 Å²	2	7.1 Å²	7.1	1%	0.01	4%	0.036	C	C	.	.	H	α-helix	trans	-63.3	-46.5	178.3	-75.8	172.5	0	0	0	112.1	D154 Y177 I178 Q181 F182 F185 T436 I438 A443 R444	D154-L440 HydrophobicContact CB-CD1 4.3Å; Y177-L440 HydrophobicContact CE1-CD1 3.89Å; I178-L440 HydrophobicContact CB-CD2 4.46Å; I178-L440 HydrophobicContact CG1-CD1 4.41Å; I178-L440 HydrophobicContact CG1-CD2 4.21Å; I178-L440 HydrophobicContact CG2-CD2 4.18Å; Q181-L440 HydrophobicContact CB-CD2 3.64Å; Q181-L440 HydrophobicContact CG-CD2 4Å; F182-L440 HydrophobicContact CD1-CD2 4.31Å; F182-L440 HydrophobicContact CE1-CD2 4.07Å; F185-L440 HydrophobicContact CE2-CD2 4.21Å; F185-L440 VanDerWaalsContact CE2-O 3.23Å; F185-L440 WeakPolarHBondContact CE2-O 3.47Å; T436-L440 HydrophobicContact CG2-CD1 4.28Å; T436-L440 WeakPolarHBondContact O-CG 3.3Å; T436-L440 PolarHBondContact O-N 3.21Å; I438-L440 PolarHBondContact O-N 3.06Å; L440-A443 PolarHBondContact O-N 3.48Å; L440-R444 WeakPolarHBondContact O-CB 3.28Å; L440-R444 PolarHBondContact O-N 3.2Å
441	E	98.6	Very high	97.9	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.005	6%	0.056	C	C	.	.	H	α-helix	trans	-68.7	-36.8	-179.4	-178	67.7	165	0	0	111.9	L146 S147 R150 L151 A437 I438 R444 V445	L146-E441 HydrophobicContact CD2-CG 3.94Å; S147-E441 WeakPolarHBondContact CA-OE1 3.35Å; S147-E441 VanDerWaalsContact CB-OE1 3.28Å; S147-E441 WeakPolarHBondContact CB-OE1 3.32Å; S147-E441 PolarHBondContact N-OE1 2.93Å; R150-E441 WeakPolarHBondContact CD-OE2 3.26Å; L151-E441 HydrophobicContact CD2-CB 3.61Å; L151-E441 HydrophobicContact CD2-CG 3.98Å; L151-E441 HydrophobicContact CG-CB 4.25Å; L151-E441 HydrophobicContact CG-CG 4.14Å; A437-E441 PolarHBondContact O-N 3.36Å; A437-E441 VanDerWaalsContact O-N 3.13Å; I438-E441 PolarHBondContact O-N 3.47Å; E441-R444 PolarHBondContact O-N 3.45Å; E441-R444 IonicContact OE1-CZ 3.68Å; E441-R444 IonicContact OE1-NE 2.77Å; E441-R444 IonicContact OE1-NH2 3.85Å; E441-R444 PolarHBondContact OE1-NH2 2.89Å; E441-R444 IonicContact OE2-CZ 3.23Å; E441-R444 IonicContact OE2-NE 2.8Å; E441-R444 PolarHBondContact OE2-NE 2.94Å; E441-R444 IonicContact OE2-NH2 2.74Å; E441-R444 PolarHBondContact OE2-NH2 3.25Å; E441-R444 VanDerWaalsContact OE2-NH2 3.15Å; E441-V445 HydrophobicContact CG-CG2 4.29Å; E441-V445 WeakPolarHBondContact O-CB 3.36Å; E441-V445 VanDerWaalsContact O-CG2 3.25Å; E441-V445 WeakPolarHBondContact O-CG2 3.33Å; E441-V445 PolarHBondContact O-N 2.89Å
442	L	98.8	Very high	98	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-66.2	-44.7	173.6	-76.1	176.2	0	0	0	112.4	L142 L146 I438 R444 V445 I446 F463 A614	L142-L442 HydrophobicContact CD1-CD2 4.33Å; L146-L442 HydrophobicContact CD2-CD2 4.39Å; I438-L442 HydrophobicContact CG2-CD1 3.73Å; I438-L442 HydrophobicContact CG2-CG 4.2Å; I438-L442 WeakPolarHBondContact O-CB 3.36Å; I438-L442 WeakPolarHBondContact O-CG 3.48Å; I438-L442 PolarHBondContact O-N 3.41Å; L442-R444 VanDerWaalsContact C-N 3.27Å; L442-R444 PolarHBondContact O-N 3.11Å; L442-V445 PolarHBondContact O-N 2.93Å; L442-I446 HydrophobicContact CD2-CD1 4.5Å; L442-I446 WeakPolarHBondContact O-CB 3.34Å; L442-I446 WeakPolarHBondContact O-CG1 3.47Å; L442-I446 PolarHBondContact O-N 3.37Å; L442-F463 HydrophobicContact CB-CE1 4.11Å; L442-A614 HydrophobicContact CD1-CB 3.82Å
443	A	98.8	Very high	97.9	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-57.7	-42.8	175.5	0	0	0	0	0	111.4	F182 F185 L187 L439 L440 S447 F463	F182-A443 HydrophobicContact CD1-CB 3.97Å; F182-A443 HydrophobicContact CE1-CB 3.62Å; F185-A443 HydrophobicContact CD2-CB 4.02Å; F185-A443 HydrophobicContact CE2-CB 4.31Å; L187-A443 HydrophobicContact CD1-CB 4.45Å; L439-A443 WeakPolarHBondContact O-CB 3.47Å; L439-A443 PolarHBondContact O-N 3.5Å; L440-A443 PolarHBondContact O-N 3.48Å; A443-S447 VanDerWaalsContact O-CB 3.22Å; A443-S447 WeakPolarHBondContact O-CB 3.35Å; A443-S447 PolarHBondContact O-N 3.49Å; A443-F463 HydrophobicContact CB-CD1 3.84Å; A443-F463 HydrophobicContact CB-CD2 4.03Å; A443-F463 HydrophobicContact CB-CE1 4.02Å; A443-F463 HydrophobicContact CB-CE2 4.22Å; A443-F463 HydrophobicContact CB-CG 3.85Å; A443-F463 HydrophobicContact CB-CZ 4.22Å
444	R	98.6	Very high	97.8	Very high	34 Å²	34	19.8 Å²	19.8	13%	0.128	11%	0.108	C	C	.	.	H	α-helix	trans	-64.2	-53.8	174.5	-172.2	-164.3	65.5	77.7	-10.4	112.4	K145 F185 L440 E441 L442 S447 D448	K145-R444 PolarHBondContact O-NH2 3.12Å; F185-R444 HydrophobicContact CD1-CB 3.98Å; F185-R444 HydrophobicContact CD1-CG 3.86Å; F185-R444 HydrophobicContact CD2-CB 3.9Å; F185-R444 HydrophobicContact CE1-CB 3.93Å; F185-R444 HydrophobicContact CE1-CG 3.92Å; F185-R444 HydrophobicContact CE2-CB 3.83Å; F185-R444 HydrophobicContact CG-CB 3.99Å; F185-R444 HydrophobicContact CG-CG 4.26Å; F185-R444 HydrophobicContact CZ-CB 3.85Å; F185-R444 HydrophobicContact CZ-CG 4.33Å; L440-R444 WeakPolarHBondContact O-CB 3.28Å; L440-R444 PolarHBondContact O-N 3.2Å; E441-R444 PolarHBondContact O-N 3.45Å; E441-R444 IonicContact OE1-CZ 3.68Å; E441-R444 IonicContact OE1-NE 2.77Å; E441-R444 IonicContact OE1-NH2 3.85Å; E441-R444 PolarHBondContact OE1-NH2 2.89Å; E441-R444 IonicContact OE2-CZ 3.23Å; E441-R444 IonicContact OE2-NE 2.8Å; E441-R444 PolarHBondContact OE2-NE 2.94Å; E441-R444 IonicContact OE2-NH2 2.74Å; E441-R444 PolarHBondContact OE2-NH2 3.25Å; E441-R444 VanDerWaalsContact OE2-NH2 3.15Å; L442-R444 VanDerWaalsContact C-N 3.27Å; L442-R444 PolarHBondContact O-N 3.11Å; R444-S447 PolarHBondContact O-N 2.87Å; R444-D448 VanDerWaalsContact O-CB 3.28Å; R444-D448 WeakPolarHBondContact O-CB 3.44Å; R444-D448 PolarHBondContact O-N 2.99Å
445	V	98.6	Very high	97.7	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-65.7	-41.9	-172.3	168.9	0	0	0	0	111.5	L142 K145 L146 E441 L442 D448 M449	L142-V445 HydrophobicContact CD1-CG1 3.84Å; K145-V445 HydrophobicContact CB-CB 4.44Å; K145-V445 HydrophobicContact CB-CG1 3.63Å; K145-V445 HydrophobicContact CB-CG2 4.02Å; K145-V445 HydrophobicContact CD-CG1 4.18Å; L146-V445 HydrophobicContact CD2-CG2 4.34Å; E441-V445 HydrophobicContact CG-CG2 4.29Å; E441-V445 WeakPolarHBondContact O-CB 3.36Å; E441-V445 VanDerWaalsContact O-CG2 3.25Å; E441-V445 WeakPolarHBondContact O-CG2 3.33Å; E441-V445 PolarHBondContact O-N 2.89Å; L442-V445 PolarHBondContact O-N 2.93Å; V445-D448 PolarHBondContact O-N 3.3Å; V445-M449 HydrophobicContact CG1-CG 4.5Å; V445-M449 HydrophobicContact CG1-SD 3.94Å; V445-M449 VanDerWaalsContact O-CG 3.27Å; V445-M449 WeakPolarHBondContact O-CG 3.31Å; V445-M449 PolarHBondContact O-N 3.03Å
446	I	98.6	Very high	97.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-71.4	-38.2	-179.7	-60.7	173.4	0	0	0	110.3	I406 L442 M449 V450 Y455 I461 F463 L619	I406-I446 HydrophobicContact CD1-CB 4.17Å; I406-I446 HydrophobicContact CD1-CG2 3.72Å; L442-I446 HydrophobicContact CD2-CD1 4.5Å; L442-I446 WeakPolarHBondContact O-CB 3.34Å; L442-I446 WeakPolarHBondContact O-CG1 3.47Å; L442-I446 PolarHBondContact O-N 3.37Å; I446-M449 PolarHBondContact O-N 2.73Å; I446-V450 WeakPolarHBondContact O-CG2 3.46Å; I446-V450 PolarHBondContact O-N 2.98Å; I446-Y455 HydrophobicContact CG2-CE1 4.18Å; I446-I461 HydrophobicContact CG2-CD1 3.75Å; I446-F463 HydrophobicContact CB-CZ 4.33Å; I446-F463 HydrophobicContact CD1-CE1 4.35Å; I446-F463 HydrophobicContact CD1-CZ 4.1Å; I446-L619 HydrophobicContact CG1-CD2 4.48Å; I446-L619 HydrophobicContact CG2-CD2 4.49Å
447	S	98.4	Very high	97.4	Very high	4 Å²	4	25 Å²	25	3%	0.028	13%	0.13	C	C	.	.	H	α-helix	trans	-62.5	-43	173.3	-169.2	0	0	0	0	112.4	F185 A443 R444 V450 K451	F185-S447 PolarHBondContact O-OG 3.06Å; A443-S447 VanDerWaalsContact O-CB 3.22Å; A443-S447 WeakPolarHBondContact O-CB 3.35Å; A443-S447 PolarHBondContact O-N 3.49Å; R444-S447 PolarHBondContact O-N 2.87Å; S447-V450 PolarHBondContact O-N 2.86Å; S447-K451 WeakPolarHBondContact O-CB 3.3Å; S447-K451 WeakPolarHBondContact O-CG 3.16Å; S447-K451 PolarHBondContact O-N 3Å; S447-K451 WeakPolarHBondContact OG-CE 3.27Å
448	D	98.1	Very high	97.3	Very high	40 Å²	40	26.8 Å²	26.8	21%	0.214	14%	0.136	C	C	.	.	H	α-helix	trans	-58.7	-49.1	174.5	-174.5	49.7	0	0	0	110.9	K145 R444 V445 V450 K451 N452	K145-D448 WeakPolarHBondContact CD-OD2 3.45Å; K145-D448 IonicContact NZ-OD2 2.69Å; K145-D448 PolarHBondContact NZ-OD2 2.75Å; R444-D448 VanDerWaalsContact O-CB 3.28Å; R444-D448 WeakPolarHBondContact O-CB 3.44Å; R444-D448 PolarHBondContact O-N 2.99Å; V445-D448 PolarHBondContact O-N 3.3Å; D448-V450 VanDerWaalsContact C-N 3.32Å; D448-V450 PolarHBondContact O-N 3.04Å; D448-K451 PolarHBondContact O-N 3.12Å; D448-N452 WeakPolarHBondContact O-CB 3.44Å; D448-N452 PolarHBondContact O-N 2.89Å; D448-N452 PolarHBondContact OD1-ND2 3.41Å
449	M	97.6	Very high	97.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-57.5	-39.5	175.5	-73.2	171.6	64.2	0	0	113.4	L138 L141 L142 K145 V445 I446 D453 G454 Y455 L619	L138-M449 HydrophobicContact CD2-CE 3.92Å; L141-M449 HydrophobicContact CB-CE 3.92Å; L141-M449 HydrophobicContact CB-SD 4.38Å; L142-M449 HydrophobicContact CB-SD 4.22Å; K145-M449 HydrophobicContact CD-CG 3.62Å; K145-M449 HydrophobicContact CD-SD 4.4Å; V445-M449 HydrophobicContact CG1-CG 4.5Å; V445-M449 HydrophobicContact CG1-SD 3.94Å; V445-M449 VanDerWaalsContact O-CG 3.27Å; V445-M449 WeakPolarHBondContact O-CG 3.31Å; V445-M449 PolarHBondContact O-N 3.03Å; I446-M449 PolarHBondContact O-N 2.73Å; M449-D453 WeakPolarHBondContact CA-OD2 3.42Å; M449-D453 PolarHBondContact O-N 2.96Å; M449-G454 PolarHBondContact O-N 2.81Å; M449-Y455 HydrophobicContact CB-CD1 4.29Å; M449-Y455 WeakPolarHBondContact O-CB 3.44Å; M449-Y455 PolarHBondContact O-N 3.03Å; M449-L619 HydrophobicContact CE-CD1 3.88Å; M449-L619 HydrophobicContact CE-CD2 4.25Å
450	V	97.1	Very high	97.2	Very high	26 Å²	26	26.9 Å²	26.9	16%	0.158	14%	0.137	C	C	.	.	H	α-helix	trans	-70.4	-42.4	178.5	172.7	0	0	0	0	112.1	I406 F409 I446 S447 D448 Y455 P457	I406-V450 HydrophobicContact CG2-CG2 4.12Å; F409-V450 HydrophobicContact CE2-CG1 4.2Å; F409-V450 HydrophobicContact CZ-CG1 4.49Å; I446-V450 WeakPolarHBondContact O-CG2 3.46Å; I446-V450 PolarHBondContact O-N 2.98Å; S447-V450 PolarHBondContact O-N 2.86Å; D448-V450 VanDerWaalsContact C-N 3.32Å; D448-V450 PolarHBondContact O-N 3.04Å; V450-Y455 WeakPolarHBondContact CA-O 3.44Å; V450-Y455 HydrophobicContact CG2-CD1 3.57Å; V450-Y455 HydrophobicContact CG2-CE1 4.19Å; V450-Y455 HydrophobicContact CG2-CG 4.35Å; V450-P457 HydrophobicContact CG2-CG 4.08Å
451	K	95.6	Very high	97.2	Very high	97 Å²	97	26.8 Å²	26.8	42%	0.422	14%	0.136	S	C	.	.	H	α-helix	trans	-84.1	-36.2	-172.3	-66.3	175.2	-166.7	-67.7	0	113.6	A186 D188 S447 D448	A186-K451 HydrophobicContact CB-CD 4.48Å; A186-K451 WeakPolarHBondContact O-CE 3.47Å; A186-K451 PolarHBondContact O-NZ 3.15Å; D188-K451 IonicContact OD1-NZ 3.68Å; S447-K451 WeakPolarHBondContact O-CB 3.3Å; S447-K451 WeakPolarHBondContact O-CG 3.16Å; S447-K451 PolarHBondContact O-N 3Å; S447-K451 WeakPolarHBondContact OG-CE 3.27Å; D448-K451 PolarHBondContact O-N 3.12Å
452	N	96.2	Very high	97.2	Very high	120 Å²	120	26.8 Å²	26.8	64%	0.642	14%	0.136	S	C	*	.	H	α-helix	trans	-114	-27.7	-166.5	-61	-34.6	0	0	0	113.6	D448	D448-N452 WeakPolarHBondContact O-CB 3.44Å; D448-N452 PolarHBondContact O-N 2.89Å; D448-N452 PolarHBondContact OD1-ND2 3.41Å
453	D	95.1	Very high	97.2	Very high	49 Å²	49	26.8 Å²	26.8	26%	0.262	14%	0.136	S	C	.	.	S	Bend	trans	-108.1	-7.6	-175.9	-48.4	-108.8	0	0	0	113.4	L141 K145 M449	L141-D453 HydrophobicContact CD1-CB 4.22Å; L141-D453 HydrophobicContact CD2-CB 4.28Å; K145-D453 WeakPolarHBondContact CE-OD1 3.26Å; K145-D453 WeakPolarHBondContact CE-OD2 3.48Å; K145-D453 IonicContact NZ-OD1 2.65Å; K145-D453 PolarHBondContact NZ-OD1 2.9Å; K145-D453 IonicContact NZ-OD2 2.86Å; K145-D453 PolarHBondContact NZ-OD2 3.37Å; M449-D453 WeakPolarHBondContact CA-OD2 3.42Å; M449-D453 PolarHBondContact O-N 2.96Å
454	G	93.7	Very high	97.2	Very high	32 Å²	32	26.8 Å²	26.8	33%	0.33	14%	0.136	S	C	.	.			trans	91.2	12.6	173.4	0	0	0	0	0	116	M449 K456	M449-G454 PolarHBondContact O-N 2.81Å; G454-K456 PolarHBondContact O-N 2.94Å
455	Y	96.1	Very high	97.3	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.016	13%	0.13	C	C	.	.			trans	-66.2	129.7	175.8	172.5	-129.9	0	0	0	111.8	L138 I446 M449 V450 P457 L619 T622	L138-Y455 HydrophobicContact CD1-CD2 3.77Å; L138-Y455 HydrophobicContact CD1-CE2 3.74Å; L138-Y455 HydrophobicContact CD2-CD2 3.4Å; L138-Y455 HydrophobicContact CD2-CE2 4.11Å; L138-Y455 HydrophobicContact CD2-CG 3.77Å; L138-Y455 HydrophobicContact CG-CD2 4.26Å; I446-Y455 HydrophobicContact CG2-CE1 4.18Å; M449-Y455 HydrophobicContact CB-CD1 4.29Å; M449-Y455 WeakPolarHBondContact O-CB 3.44Å; M449-Y455 PolarHBondContact O-N 3.03Å; V450-Y455 WeakPolarHBondContact CA-O 3.44Å; V450-Y455 HydrophobicContact CG2-CD1 3.57Å; V450-Y455 HydrophobicContact CG2-CE1 4.19Å; V450-Y455 HydrophobicContact CG2-CG 4.35Å; Y455-P457 HydrophobicContact CE1-CB 3.96Å; Y455-P457 HydrophobicContact CE1-CG 4.12Å; Y455-P457 HydrophobicContact CE2-CB 4.41Å; Y455-L619 HydrophobicContact CD1-CD2 4.08Å; Y455-L619 HydrophobicContact CE1-CD2 3.31Å; Y455-L619 HydrophobicContact CE2-CD2 4.3Å; Y455-L619 VanDerWaalsContact CZ-CD2 3.42Å; Y455-L619 WeakPolarHBondContact OH-CD2 3.37Å; Y455-T622 PolarHBondContact OH-OG1 2.82Å
456	K	95.3	Very high	97.2	Very high	115 Å²	115	25.3 Å²	25.3	50%	0.5	13%	0.131	S	C	.	.			trans	-120.8	89.2	179.5	-67.3	173	-172.8	170.3	0	109.5	F409 G454 R458	F409-K456 HydrophobicContact CD1-CB 4.36Å; F409-K456 HydrophobicContact CD1-CD 4.41Å; F409-K456 HydrophobicContact CD1-CG 4.2Å; F409-K456 HydrophobicContact CD2-CB 3.99Å; F409-K456 HydrophobicContact CD2-CG 4.37Å; F409-K456 HydrophobicContact CE1-CD 4.38Å; F409-K456 HydrophobicContact CE1-CG 4.04Å; F409-K456 HydrophobicContact CE2-CB 4.25Å; F409-K456 HydrophobicContact CE2-CG 4.22Å; F409-K456 HydrophobicContact CG-CB 4.05Å; F409-K456 HydrophobicContact CG-CG 4.36Å; F409-K456 HydrophobicContact CZ-CG 4.05Å; G454-K456 PolarHBondContact O-N 2.94Å; K456-R458 PolarHBondContact O-N 3.47Å
457	P	96.6	Very high	97.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.131	C	C	.	.			trans	-62.3	128.4	174.9	26	-34.4	0	0	0	109.5	I406 G408 F409 V450 Y455 R459 I461	I406-P457 HydrophobicContact CG2-CG 4.19Å; G408-P457 CarbonylContact C-O 3.52Å; G408-P457 WeakPolarHBondContact CA-O 3.27Å; F409-P457 HydrophobicContact CD2-CG 4.37Å; F409-P457 WeakPolarHBondContact CD2-O 3.31Å; F409-P457 PolarHBondContact N-O 3.05Å; V450-P457 HydrophobicContact CG2-CG 4.08Å; Y455-P457 HydrophobicContact CE1-CB 3.96Å; Y455-P457 HydrophobicContact CE1-CG 4.12Å; Y455-P457 HydrophobicContact CE2-CB 4.41Å; P457-R459 VanDerWaalsContact C-N 3.33Å; P457-R459 WeakPolarHBondContact CB-O 3.24Å; P457-I461 HydrophobicContact CB-CD1 4.48Å
458	R	95.8	Very high	97.1	Very high	39 Å²	39	25.1 Å²	25.1	15%	0.147	13%	0.129	C	C	.	.	S	Bend	trans	-65.3	-41.7	177.6	-62.1	-178.3	-172.1	-81.8	-19.5	110.7	G408 F409 E410 E411 K456 T622 H623	G408-R458 CarbonylContact C-O 3.57Å; G408-R458 WeakPolarHBondContact CA-O 3.23Å; F409-R458 PolarHBondContact N-O 3.15Å; E410-R458 HydrophobicContact CB-CB 4.24Å; E410-R458 HydrophobicContact CG-CG 4.46Å; E410-R458 PolarHBondContact N-O 2.95Å; E410-R458 IonicContact OE1-CZ 3.54Å; E410-R458 IonicContact OE1-NH1 3.18Å; E410-R458 PolarHBondContact OE1-NH1 3.17Å; E410-R458 VanDerWaalsContact OE2-CD 3.26Å; E410-R458 WeakPolarHBondContact OE2-CD 3.38Å; E410-R458 WeakPolarHBondContact OE2-CG 3.44Å; E410-R458 IonicContact OE2-CZ 2.68Å; E410-R458 IonicContact OE2-NE 2.75Å; E410-R458 IonicContact OE2-NH1 2.77Å; E410-R458 PolarHBondContact OE2-NH1 3.05Å; E411-R458 PolarHBondContact N-O 3.28Å; K456-R458 PolarHBondContact O-N 3.47Å; R458-T622 WeakPolarHBondContact CB-O 3.13Å; R458-T622 PolarHBondContact N-O 2.83Å; R458-H623 WeakPolarHBondContact CD-O 3.25Å; R458-H623 PolarHBondContact NE-O 3.32Å
459	R	97.5	Very high	97	Very high	1 Å²	1	23.9 Å²	23.9	0%	0.004	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	152.8	-178.8	-62.5	172.4	-167.1	96.6	24.2	110.8	G408 E411 R414 P457 F492 L621 T622 D624 R625 N695	G408-R459 VanDerWaalsContact CA-C 3.48Å; E411-R459 HydrophobicContact CB-CG 3.95Å; E411-R459 IonicContact OE2-CZ 3.92Å; E411-R459 IonicContact OE2-NE 3.81Å; E411-R459 PolarHBondContact OE2-NE 3.43Å; E411-R459 IonicContact OE2-NH2 3.57Å; E411-R459 PolarHBondContact OE2-NH2 3.38Å; R414-R459 HydrophobicContact CB-CB 4.37Å; R414-R459 HydrophobicContact CB-CG 3.99Å; P457-R459 VanDerWaalsContact C-N 3.33Å; P457-R459 WeakPolarHBondContact CB-O 3.24Å; R459-F492 HydrophobicContact CB-CE1 3.8Å; R459-F492 HydrophobicContact CB-CZ 4.19Å; R459-F492 HydrophobicContact CG-CE1 4.09Å; R459-L621 PolarHBondContact NH1-O 2.77Å; R459-T622 HydrophobicContact CB-CG2 4.13Å; R459-D624 PolarHBondContact NH1-O 3.32Å; R459-D624 PolarHBondContact NH2-O 3.01Å; R459-R625 PolarHBondContact NH2-O 3.49Å; R459-N695 PolarHBondContact NH2-ND2 3.34Å
460	S	98.6	Very high	96.7	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.007	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	156.2	179.9	-62.9	0	0	0	0	112.4	I406 G408 P412 R414 Y415 V416	I406-S460 CarbonylContact O-C 3.59Å; I406-S460 VanDerWaalsContact O-CA 3.24Å; I406-S460 WeakPolarHBondContact O-CA 3.27Å; I406-S460 WeakPolarHBondContact O-CB 3.36Å; G408-S460 PolarHBondContact N-OG 2.66Å; P412-S460 WeakPolarHBondContact O-CB 3.29Å; P412-S460 PolarHBondContact O-OG 2.92Å; R414-S460 PolarHBondContact O-N 3.37Å; Y415-S460 WeakPolarHBondContact CA-O 3.46Å; Y415-S460 WeakPolarHBondContact CB-O 3.29Å; V416-S460 PolarHBondContact N-O 3.39Å
461	I	98.8	Very high	96.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	124.5	174	-60.4	169.3	0	0	0	107.6	A405 I406 V416 I418 I446 P457 F463 T622	A405-I461 WeakPolarHBondContact CA-O 3.5Å; I406-I461 HydrophobicContact CB-CB 4.45Å; I406-I461 PolarHBondContact N-O 3.13Å; I406-I461 PolarHBondContact O-N 3.48Å; V416-I461 HydrophobicContact CG1-CB 4.25Å; V416-I461 HydrophobicContact CG1-CG1 3.84Å; V416-I461 HydrophobicContact CG1-CG2 4.16Å; I418-I461 HydrophobicContact CD1-CG2 3.92Å; I418-I461 HydrophobicContact CG1-CG2 4.46Å; I446-I461 HydrophobicContact CG2-CD1 3.75Å; P457-I461 HydrophobicContact CB-CD1 4.48Å; I461-F463 HydrophobicContact CB-CE2 4.42Å; I461-F463 HydrophobicContact CG2-CD2 4.34Å; I461-F463 HydrophobicContact CG2-CE1 4.12Å; I461-F463 HydrophobicContact CG2-CE2 3.66Å; I461-F463 HydrophobicContact CG2-CZ 3.52Å; I461-T622 HydrophobicContact CD1-CG2 4.32Å; I461-T622 HydrophobicContact CG1-CG2 3.86Å
462	I	98.7	Very high	96.5	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.005	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	125	176.2	-59.6	-175.9	0	0	0	109.1	F12 F403 G404 A405 Y415 V416 V417 I418	F12-I462 HydrophobicContact CZ-CD1 4.32Å; F403-I462 HydrophobicContact CD1-CG2 3.68Å; F403-I462 HydrophobicContact CE1-CG2 4.23Å; G404-I462 CarbonylContact O-C 3.6Å; G404-I462 WeakPolarHBondContact O-CA 3.44Å; A405-I462 HydrophobicContact CB-CG1 4.37Å; Y415-I462 HydrophobicContact CD1-CD1 3.99Å; Y415-I462 HydrophobicContact CD2-CD1 3.52Å; Y415-I462 HydrophobicContact CD2-CG1 4.18Å; Y415-I462 HydrophobicContact CE1-CD1 4.18Å; Y415-I462 HydrophobicContact CE2-CD1 3.72Å; Y415-I462 HydrophobicContact CG-CD1 3.65Å; Y415-I462 HydrophobicContact CG-CG1 4.15Å; V416-I462 PolarHBondContact O-N 3.24Å; V417-I462 CarbonylContact C-O 3.59Å; V417-I462 WeakPolarHBondContact CA-O 3.38Å; V417-I462 HydrophobicContact CG2-CB 4.45Å; I418-I462 PolarHBondContact N-O 3.4Å
463	F	98.9	Very high	96.4	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	128.7	170.2	-55.7	-87	0	0	0	108.6	F182 L187 F403 G404 I406 I418 L439 L442 A443 I446 I461	F182-F463 HydrophobicContact CE1-CB 4.34Å; F182-F463 HydrophobicContact CE2-CB 4.11Å; F182-F463 HydrophobicContact CZ-CB 3.7Å; L187-F463 HydrophobicContact CD1-CD2 4.25Å; F403-F463 WeakPolarHBondContact CA-O 3.26Å; G404-F463 PolarHBondContact N-O 3.04Å; G404-F463 PolarHBondContact O-N 3.08Å; I406-F463 HydrophobicContact CD1-CE2 3.86Å; I406-F463 HydrophobicContact CD1-CZ 4.33Å; I406-F463 HydrophobicContact CG1-CE2 4.14Å; I418-F463 HydrophobicContact CB-CD1 4.27Å; I418-F463 HydrophobicContact CD1-CD1 4.23Å; I418-F463 HydrophobicContact CD1-CE1 3.79Å; I418-F463 HydrophobicContact CD1-CZ 4.49Å; I418-F463 CarbonylContact O-C 3.55Å; I418-F463 WeakPolarHBondContact O-CA 3.19Å; L439-F463 HydrophobicContact CD1-CB 4.05Å; L439-F463 HydrophobicContact CD1-CD1 4.08Å; L442-F463 HydrophobicContact CB-CE1 4.11Å; A443-F463 HydrophobicContact CB-CD1 3.84Å; A443-F463 HydrophobicContact CB-CD2 4.03Å; A443-F463 HydrophobicContact CB-CE1 4.02Å; A443-F463 HydrophobicContact CB-CE2 4.22Å; A443-F463 HydrophobicContact CB-CG 3.85Å; A443-F463 HydrophobicContact CB-CZ 4.22Å; I446-F463 HydrophobicContact CB-CZ 4.33Å; I446-F463 HydrophobicContact CD1-CE1 4.35Å; I446-F463 HydrophobicContact CD1-CZ 4.1Å; I461-F463 HydrophobicContact CB-CE2 4.42Å; I461-F463 HydrophobicContact CG2-CD2 4.34Å; I461-F463 HydrophobicContact CG2-CE1 4.12Å; I461-F463 HydrophobicContact CG2-CE2 3.66Å; I461-F463 HydrophobicContact CG2-CZ 3.52Å
464	A	98.7	Very high	96.4	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	127.4	-175.5	0	0	0	0	0	111.4	V402 F403 V417 I418 G419 A420 L439 W466	V402-A464 WeakPolarHBondContact O-CA 3.36Å; F403-A464 HydrophobicContact CD1-CB 3.85Å; F403-A464 HydrophobicContact CE1-CB 3.6Å; F403-A464 HydrophobicContact CZ-CB 4.4Å; V417-A464 HydrophobicContact CG1-CB 4.18Å; I418-A464 PolarHBondContact O-N 3.42Å; G419-A464 WeakPolarHBondContact CA-O 3.35Å; A420-A464 PolarHBondContact N-O 3.25Å; L439-A464 WeakPolarHBondContact CD2-O 3.33Å; A464-W466 HydrophobicContact CB-CD2 4.35Å; A464-W466 HydrophobicContact CB-CH2 3.88Å; A464-W466 HydrophobicContact CB-CZ2 3.49Å; A464-W466 VanDerWaalsContact CB-CZ2 3.49Å; A464-W466 HydrophobicContact CB-CZ3 4.46Å
465	S	98.8	Very high	96.5	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	110.1	173.5	177.2	0	0	0	0	109.4	I178 N401 V402 A420 R422	I178-S465 WeakPolarHBondContact CD1-OG 3.24Å; N401-S465 WeakPolarHBondContact CA-O 3.2Å; V402-S465 PolarHBondContact N-O 3.23Å; V402-S465 PolarHBondContact O-N 3.35Å; A420-S465 WeakPolarHBondContact O-CA 3.19Å; R422-S465 WeakPolarHBondContact CB-OG 3.42Å; R422-S465 WeakPolarHBondContact CD-OG 3.27Å; R422-S465 PolarHBondContact NH1-O 3.49Å; R422-S465 PolarHBondContact NH1-OG 2.93Å
466	W	98.3	Very high	96.5	Very high	3 Å²	3	8.9 Å²	8.9	1%	0.011	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	148.2	-173.1	-52.4	121.5	0	0	0	112.4	N401 F403 V417 A420 R422 A464 A476 W479 Y494 F564	N401-W466 HydrophobicContact CB-CE3 4.24Å; N401-W466 HydrophobicContact CB-CZ3 4.43Å; F403-W466 AromaticContact CE1-CH2 3.82Å; F403-W466 HydrophobicContact CE1-CH2 3.82Å; F403-W466 HydrophobicContact CE1-CZ3 4.16Å; F403-W466 HydrophobicContact CE2-CZ3 4.25Å; F403-W466 AromaticContact CZ-CH2 3.55Å; F403-W466 HydrophobicContact CZ-CH2 3.55Å; F403-W466 AromaticContact CZ-CZ3 3.48Å; F403-W466 HydrophobicContact CZ-CZ3 3.48Å; F403-W466 VanDerWaalsContact CZ-CZ3 3.48Å; V417-W466 HydrophobicContact CG1-CZ2 4.46Å; A420-W466 PolarHBondContact O-N 3.4Å; R422-W466 VanDerWaalsContact CB-O 3.28Å; R422-W466 WeakPolarHBondContact CB-O 3.36Å; R422-W466 PolarHBondContact N-O 2.96Å; A464-W466 HydrophobicContact CB-CD2 4.35Å; A464-W466 HydrophobicContact CB-CH2 3.88Å; A464-W466 HydrophobicContact CB-CZ2 3.49Å; A464-W466 VanDerWaalsContact CB-CZ2 3.49Å; A464-W466 HydrophobicContact CB-CZ3 4.46Å; W466-A476 HydrophobicContact CD2-CB 3.73Å; W466-A476 HydrophobicContact CE3-CB 4.04Å; W466-A476 HydrophobicContact CG-CB 3.99Å; W466-A476 HydrophobicContact CZ2-CB 4.37Å; W466-A476 HydrophobicContact CZ3-CB 4.47Å; W466-W479 HydrophobicContact CH2-CB 4.3Å; W466-W479 AromaticContact CH2-CD2 3.88Å; W466-W479 HydrophobicContact CH2-CD2 3.88Å; W466-W479 AromaticContact CH2-CE3 3.7Å; W466-W479 HydrophobicContact CH2-CE3 3.7Å; W466-W479 HydrophobicContact CH2-CG 4.16Å; W466-W479 HydrophobicContact CH2-CZ3 4.28Å; W466-W479 HydrophobicContact CZ3-CB 3.91Å; W466-W479 HydrophobicContact CZ3-CD2 4.31Å; W466-W479 HydrophobicContact CZ3-CE3 4.46Å; W466-W479 HydrophobicContact CZ3-CG 4.09Å; W466-Y494 HydrophobicContact CZ2-CE2 4.23Å; W466-Y494 AromaticContact NE1-CE2 3.87Å; W466-Y494 AromaticContact NE1-CZ 3.86Å; W466-Y494 PolarHBondContact NE1-OH 2.98Å; W466-F564 HydrophobicContact CH2-CZ 4.34Å; W466-F564 HydrophobicContact CZ2-CE2 4.06Å; W466-F564 AromaticContact CZ2-CZ 3.82Å; W466-F564 HydrophobicContact CZ2-CZ 3.82Å
467	S	97.7	Very high	96.5	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.018	C	C	.	.	S	Bend	trans	-116	164.6	168.7	-179.8	0	0	0	0	111.2	D171 N401 D423 G469 G475	D171-S467 PolarHBondContact OD2-OG 3.36Å; N401-S467 PolarHBondContact OD1-N 3.14Å; D423-S467 WeakPolarHBondContact OD1-CA 3.47Å; S467-G469 PolarHBondContact O-N 3.36Å; S467-G475 VanDerWaalsContact O-CA 3.29Å; S467-G475 WeakPolarHBondContact O-CA 3.49Å; S467-G475 PolarHBondContact O-N 3.03Å
468	A	96.3	Very high	96.3	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.018	C	C	.	.	S	Bend	trans	50.8	34.8	-172.1	0	0	0	0	0	114	A166 I197 L199 I399 D423 E470 Y471 V474	A166-A468 HydrophobicContact CB-CB 3.69Å; I197-A468 HydrophobicContact CD1-CB 3.6Å; L199-A468 HydrophobicContact CD1-CB 4.4Å; L199-A468 HydrophobicContact CD2-CB 4.48Å; I399-A468 HydrophobicContact CD1-CB 4.41Å; I399-A468 HydrophobicContact CG2-CB 4.16Å; D423-A468 PolarHBondContact OD1-N 2.92Å; D423-A468 WeakPolarHBondContact OD2-CA 3.45Å; D423-A468 PolarHBondContact OD2-N 2.97Å; A468-E470 VanDerWaalsContact C-N 3.3Å; A468-E470 PolarHBondContact O-N 3.43Å; A468-Y471 HydrophobicContact CB-CD2 4.3Å; A468-Y471 PolarHBondContact O-N 3.42Å; A468-V474 HydrophobicContact CB-CB 3.76Å; A468-V474 HydrophobicContact CB-CG1 4.45Å; A468-V474 HydrophobicContact CB-CG2 4.18Å; A468-V474 WeakPolarHBondContact O-CB 3.39Å; A468-V474 WeakPolarHBondContact O-CG2 3.38Å; A468-V474 PolarHBondContact O-N 3.28Å
469	G	95.1	Very high	96.3	Very high	13 Å²	13	1.7 Å²	1.7	13%	0.134	1%	0.012	C	C	.	.	G	3₁₀ helix	trans	-60.7	-38.6	173.7	0	0	0	0	0	112.8	D423 S467 Y471 T473	D423-G469 VanDerWaalsContact CG-N 3.27Å; D423-G469 PolarHBondContact OD1-N 3.46Å; D423-G469 PolarHBondContact OD2-N 2.9Å; S467-G469 PolarHBondContact O-N 3.36Å; G469-Y471 PolarHBondContact O-N 3.08Å; G469-T473 PolarHBondContact O-N 3.27Å
470	E	92.5	Very high	96.1	Very high	6 Å²	6	1.6 Å²	1.6	3%	0.028	1%	0.012	C	C	.	.	G	3₁₀ helix	trans	-69.6	-18.7	179.7	-101.5	170.9	-160.3	0	0	114.4	F307 H309 D423 S424 W425 A468 G472	F307-E470 HydrophobicContact CD1-CG 4.38Å; F307-E470 HydrophobicContact CE1-CB 3.88Å; F307-E470 HydrophobicContact CE1-CG 4.14Å; H309-E470 PolarHBondContact CD2-O 3.31Å; D423-E470 PolarHBondContact OD2-N 2.67Å; S424-E470 VanDerWaalsContact CA-OE1 3.23Å; S424-E470 WeakPolarHBondContact CA-OE1 3.49Å; W425-E470 VanDerWaalsContact CB-OE2 3.25Å; W425-E470 WeakPolarHBondContact CB-OE2 3.49Å; W425-E470 PolarHBondContact N-OE1 2.73Å; W425-E470 PolarHBondContact N-OE2 3.4Å; A468-E470 VanDerWaalsContact C-N 3.3Å; A468-E470 PolarHBondContact O-N 3.43Å; E470-G472 VanDerWaalsContact C-N 3.29Å; E470-G472 PolarHBondContact O-N 3.35Å
471	Y	94.8	Very high	95.7	Very high	0 Å²	0	2.1 Å²	2.1	0%	0	1%	0.014	C	C	.	.	G	3₁₀ helix	trans	-94.2	22.9	-176.3	-71.7	-90.6	0	0	0	112.6	E165 A166 L199 Q200 Y226 A228 Y229 F307 A468 G469 V474	E165-Y471 HydrophobicContact CG-CE2 4.4Å; E165-Y471 WeakPolarHBondContact CG-OH 3.29Å; E165-Y471 PolarHBondContact OE1-OH 2.96Å; E165-Y471 VanDerWaalsContact OE1-OH 3.13Å; A166-Y471 HydrophobicContact CB-CD2 4.27Å; A166-Y471 HydrophobicContact CB-CE2 4.16Å; L199-Y471 HydrophobicContact CB-CD1 4.21Å; L199-Y471 HydrophobicContact CB-CE1 4.07Å; L199-Y471 HydrophobicContact CD1-CD1 4.15Å; L199-Y471 HydrophobicContact CD1-CD2 3.93Å; L199-Y471 HydrophobicContact CD1-CE1 4.1Å; L199-Y471 HydrophobicContact CD1-CE2 3.91Å; L199-Y471 HydrophobicContact CD1-CG 4.04Å; L199-Y471 HydrophobicContact CD2-CD1 3.63Å; L199-Y471 HydrophobicContact CD2-CD2 4.29Å; L199-Y471 HydrophobicContact CD2-CE1 4.28Å; L199-Y471 HydrophobicContact CD2-CG 3.6Å; L199-Y471 HydrophobicContact CG-CD1 4.21Å; L199-Y471 HydrophobicContact CG-CE1 4.38Å; L199-Y471 HydrophobicContact CG-CG 4.36Å; Q200-Y471 WeakPolarHBondContact O-CE1 3.38Å; Y226-Y471 PolarHBondContact OH-OH 3.02Å; A228-Y471 HydrophobicContact CB-CD1 3.86Å; A228-Y471 HydrophobicContact CB-CE1 3.9Å; Y229-Y471 VanDerWaalsContact CE2-O 3.25Å; Y229-Y471 WeakPolarHBondContact CE2-O 3.41Å; Y229-Y471 PolarHBondContact OH-O 3.31Å; F307-Y471 HydrophobicContact CZ-CE1 4.26Å; A468-Y471 HydrophobicContact CB-CD2 4.3Å; A468-Y471 PolarHBondContact O-N 3.42Å; G469-Y471 PolarHBondContact O-N 3.08Å; Y471-V474 WeakPolarHBondContact O-CG2 3.29Å
472	G	93	Very high	95.2	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	2%	0.02	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.5	39.7	-174.8	0	0	0	0	0	113.7	T314 G315 E470 V474	T314-G472 CarbonylContact C-O 3.52Å; T314-G472 WeakPolarHBondContact CA-O 3.36Å; G315-G472 PolarHBondContact N-O 2.68Å; E470-G472 VanDerWaalsContact C-N 3.29Å; E470-G472 PolarHBondContact O-N 3.35Å; G472-V474 VanDerWaalsContact C-N 3.26Å; G472-V474 PolarHBondContact O-N 2.89Å
473	T	94.9	Very high	94.7	Very high	6 Å²	6	4.4 Å²	4.4	4%	0.037	3%	0.027	C	C	.	.	S	Bend	trans	56.8	36.9	177.7	65.2	0	0	0	0	113.4	T314 G469 A476 T477 A560	T314-T473 WeakPolarHBondContact CB-OG1 3.36Å; T314-T473 VanDerWaalsContact CG2-OG1 3.31Å; T314-T473 WeakPolarHBondContact CG2-OG1 3.42Å; G469-T473 PolarHBondContact O-N 3.27Å; T473-A476 PolarHBondContact O-N 3.06Å; T473-T477 PolarHBondContact O-N 2.93Å; T473-T477 PolarHBondContact O-OG1 3.24Å; T473-T477 PolarHBondContact OG1-OG1 3.27Å; T473-A560 HydrophobicContact CG2-CB 4.15Å
474	V	95.5	Very high	93.7	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-60.7	-62.6	-163.4	-178.9	0	0	0	0	111.6	I197 D316 A468 Y471 G472 A476 T477 E478	I197-V474 HydrophobicContact CB-CG1 4.39Å; I197-V474 HydrophobicContact CD1-CB 4.35Å; I197-V474 HydrophobicContact CD1-CG1 3.73Å; I197-V474 HydrophobicContact CG2-CG1 3.85Å; D316-V474 HydrophobicContact CB-CG1 4.27Å; A468-V474 HydrophobicContact CB-CB 3.76Å; A468-V474 HydrophobicContact CB-CG1 4.45Å; A468-V474 HydrophobicContact CB-CG2 4.18Å; A468-V474 WeakPolarHBondContact O-CB 3.39Å; A468-V474 WeakPolarHBondContact O-CG2 3.38Å; A468-V474 PolarHBondContact O-N 3.28Å; Y471-V474 WeakPolarHBondContact O-CG2 3.29Å; G472-V474 VanDerWaalsContact C-N 3.26Å; G472-V474 PolarHBondContact O-N 2.89Å; V474-A476 PolarHBondContact O-N 3.07Å; V474-T477 CarbonylContact O-C 3.59Å; V474-T477 WeakPolarHBondContact O-CA 3.22Å; V474-T477 PolarHBondContact O-N 2.86Å; V474-E478 HydrophobicContact CG1-CG 3.82Å; V474-E478 WeakPolarHBondContact O-CG 3.44Å; V474-E478 PolarHBondContact O-N 3.11Å
475	G	95.3	Very high	92.7	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-57.9	-30.2	-174.6	0	0	0	0	0	114.6	N401 S467	N401-G475 PolarHBondContact ND2-O 3.06Å; S467-G475 VanDerWaalsContact O-CA 3.29Å; S467-G475 WeakPolarHBondContact O-CA 3.49Å; S467-G475 PolarHBondContact O-N 3.03Å
476	A	96	Very high	92.1	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.008	9%	0.089	C	C	.	.	H	α-helix	trans	-68.6	-47.1	170.8	0	0	0	0	0	111.6	W466 T473 V474 W479 L480 F564	W466-A476 HydrophobicContact CD2-CB 3.73Å; W466-A476 HydrophobicContact CE3-CB 4.04Å; W466-A476 HydrophobicContact CG-CB 3.99Å; W466-A476 HydrophobicContact CZ2-CB 4.37Å; W466-A476 HydrophobicContact CZ3-CB 4.47Å; T473-A476 PolarHBondContact O-N 3.06Å; V474-A476 PolarHBondContact O-N 3.07Å; A476-W479 PolarHBondContact O-N 3.41Å; A476-L480 WeakPolarHBondContact O-CG 3.47Å; A476-L480 PolarHBondContact O-N 2.9Å; A476-L480 VanDerWaalsContact O-N 3.11Å; A476-F564 HydrophobicContact CB-CE2 4.46Å
477	T	95	Very high	91.8	Very high	1 Å²	1	13 Å²	13	1%	0.006	9%	0.089	C	C	.	.	H	α-helix	trans	-66.9	-44	-178.2	-47.5	0	0	0	0	112	G315 T473 V474 W479 L480 E481	G315-T477 PolarHBondContact N-OG1 3.44Å; T473-T477 PolarHBondContact O-N 2.93Å; T473-T477 PolarHBondContact O-OG1 3.24Å; T473-T477 PolarHBondContact OG1-OG1 3.27Å; V474-T477 CarbonylContact O-C 3.59Å; V474-T477 WeakPolarHBondContact O-CA 3.22Å; V474-T477 PolarHBondContact O-N 2.86Å; T477-W479 PolarHBondContact O-N 3.5Å; T477-W479 VanDerWaalsContact O-N 3.16Å; T477-L480 WeakPolarHBondContact O-CA 3.36Å; T477-L480 WeakPolarHBondContact O-CB 3.4Å; T477-L480 PolarHBondContact O-N 2.65Å; T477-E481 HydrophobicContact CG2-CG 4.18Å; T477-E481 WeakPolarHBondContact O-CG 3.33Å; T477-E481 PolarHBondContact O-N 2.68Å
478	E	93.3	Very high	91.3	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-53.9	-38.9	175.6	-58.4	-49.2	115.6	0	0	112	H195 I197 G315 D316 S324 V474 G482	H195-E478 HydrophobicContact CB-CG 4.39Å; I197-E478 HydrophobicContact CG2-CG 4.23Å; G315-E478 WeakPolarHBondContact CA-OE1 3.36Å; D316-E478 PolarHBondContact N-OE1 2.87Å; S324-E478 WeakPolarHBondContact CB-OE2 3.36Å; S324-E478 PolarHBondContact N-OE2 3.49Å; S324-E478 PolarHBondContact OG-OE2 2.99Å; V474-E478 HydrophobicContact CG1-CG 3.82Å; V474-E478 WeakPolarHBondContact O-CG 3.44Å; V474-E478 PolarHBondContact O-N 3.11Å; E478-G482 PolarHBondContact O-N 2.92Å
479	W	94.1	Very high	91.2	Very high	2 Å²	2	16.3 Å²	16.3	1%	0.008	11%	0.112	C	C	.	.	H	α-helix	trans	-69.6	-41.9	176.2	-178.8	83.6	0	0	0	112.2	F403 Y415 V417 W466 A476 T477 G482 Y483 L487 F564	F403-W479 HydrophobicContact CE1-CD2 4.46Å; F403-W479 AromaticContact CE1-CE2 3.93Å; F403-W479 HydrophobicContact CE1-CZ2 4.12Å; F403-W479 AromaticContact CE1-NE1 3.95Å; F403-W479 AromaticContact CE2-CD1 3.77Å; F403-W479 HydrophobicContact CE2-CG 4.43Å; F403-W479 AromaticContact CE2-NE1 3.82Å; F403-W479 AromaticContact CZ-CD1 3.45Å; F403-W479 VanDerWaalsContact CZ-CD1 3.45Å; F403-W479 AromaticContact CZ-CD2 3.89Å; F403-W479 HydrophobicContact CZ-CD2 3.89Å; F403-W479 AromaticContact CZ-CE2 3.6Å; F403-W479 AromaticContact CZ-CG 3.8Å; F403-W479 HydrophobicContact CZ-CG 3.8Å; F403-W479 HydrophobicContact CZ-CZ2 4.26Å; F403-W479 AromaticContact CZ-NE1 3.3Å; F403-W479 VanDerWaalsContact CZ-NE1 3.3Å; Y415-W479 HydrophobicContact CE2-CH2 4.46Å; V417-W479 HydrophobicContact CG2-CH2 4.21Å; W466-W479 HydrophobicContact CH2-CB 4.3Å; W466-W479 AromaticContact CH2-CD2 3.88Å; W466-W479 HydrophobicContact CH2-CD2 3.88Å; W466-W479 AromaticContact CH2-CE3 3.7Å; W466-W479 HydrophobicContact CH2-CE3 3.7Å; W466-W479 HydrophobicContact CH2-CG 4.16Å; W466-W479 HydrophobicContact CH2-CZ3 4.28Å; W466-W479 HydrophobicContact CZ3-CB 3.91Å; W466-W479 HydrophobicContact CZ3-CD2 4.31Å; W466-W479 HydrophobicContact CZ3-CE3 4.46Å; W466-W479 HydrophobicContact CZ3-CG 4.09Å; A476-W479 PolarHBondContact O-N 3.41Å; T477-W479 PolarHBondContact O-N 3.5Å; T477-W479 VanDerWaalsContact O-N 3.16Å; W479-G482 PolarHBondContact O-N 2.89Å; W479-Y483 AromaticContact CD1-CE2 3.91Å; W479-Y483 AromaticContact NE1-CE2 3.63Å; W479-Y483 VanDerWaalsContact O-CD2 3.27Å; W479-Y483 WeakPolarHBondContact O-CD2 3.49Å; W479-L487 HydrophobicContact CE3-CD2 4.22Å; W479-L487 HydrophobicContact CH2-CD1 3.84Å; W479-L487 HydrophobicContact CH2-CD2 4.05Å; W479-L487 HydrophobicContact CZ2-CD1 4.38Å; W479-L487 HydrophobicContact CZ3-CD1 4.28Å; W479-L487 HydrophobicContact CZ3-CD2 3.62Å; W479-F564 HydrophobicContact CE3-CZ 4.1Å; W479-F564 AromaticContact CZ3-CE1 3.78Å; W479-F564 HydrophobicContact CZ3-CE1 3.78Å; W479-F564 AromaticContact CZ3-CZ 3.69Å; W479-F564 HydrophobicContact CZ3-CZ 3.69Å
480	L	93.9	Very high	91.2	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-61.9	-47.5	175.2	-65.3	175.3	0	0	0	112	A476 T477 G482 Y483 S484 L487 P563 F564 Y567 S568 I570	A476-L480 WeakPolarHBondContact O-CG 3.47Å; A476-L480 PolarHBondContact O-N 2.9Å; A476-L480 VanDerWaalsContact O-N 3.11Å; T477-L480 WeakPolarHBondContact O-CA 3.36Å; T477-L480 WeakPolarHBondContact O-CB 3.4Å; T477-L480 PolarHBondContact O-N 2.65Å; L480-G482 PolarHBondContact O-N 3.38Å; L480-Y483 CarbonylContact O-C 3.54Å; L480-Y483 PolarHBondContact O-N 3Å; L480-Y483 VanDerWaalsContact O-N 3.07Å; L480-S484 WeakPolarHBondContact O-CA 3.4Å; L480-S484 PolarHBondContact O-N 2.95Å; L480-L487 HydrophobicContact CD2-CD2 3.34Å; L480-P563 HydrophobicContact CD1-CB 3.74Å; L480-P563 HydrophobicContact CD1-CG 4.05Å; L480-F564 HydrophobicContact CD1-CD2 3.82Å; L480-F564 HydrophobicContact CD1-CE2 4.1Å; L480-F564 HydrophobicContact CD1-CG 4.16Å; L480-F564 HydrophobicContact CD2-CD1 3.78Å; L480-F564 HydrophobicContact CD2-CD2 4.11Å; L480-F564 HydrophobicContact CD2-CE1 3.65Å; L480-F564 HydrophobicContact CD2-CE2 3.96Å; L480-F564 HydrophobicContact CD2-CG 4.02Å; L480-F564 HydrophobicContact CD2-CZ 3.73Å; L480-F564 HydrophobicContact CG-CD2 4.39Å; L480-F564 HydrophobicContact CG-CE2 4.25Å; L480-F564 HydrophobicContact CG-CZ 4.42Å; L480-Y567 HydrophobicContact CB-CD1 4.27Å; L480-Y567 HydrophobicContact CB-CE1 4.36Å; L480-S568 WeakPolarHBondContact CD2-OG 3.46Å; L480-I570 HydrophobicContact CD2-CD1 4.44Å
481	E	90.9	Very high	91.4	Very high	12 Å²	12	18.2 Å²	18.2	6%	0.056	12%	0.117	C	C	.	.	H	α-helix	trans	-60.6	-34.9	176.5	-64.1	-169.2	161.9	0	0	111.4	G321 F322 T477 Y483 Y567	G321-E481 VanDerWaalsContact CA-CD 3.48Å; G321-E481 WeakPolarHBondContact CA-OE1 3.39Å; G321-E481 VanDerWaalsContact N-CD 3.34Å; G321-E481 PolarHBondContact N-OE1 3.25Å; G321-E481 PolarHBondContact N-OE2 2.94Å; F322-E481 WeakPolarHBondContact CA-OE2 3.31Å; F322-E481 PolarHBondContact N-OE2 2.97Å; T477-E481 HydrophobicContact CG2-CG 4.18Å; T477-E481 WeakPolarHBondContact O-CG 3.33Å; T477-E481 PolarHBondContact O-N 2.68Å; E481-Y483 PolarHBondContact O-N 2.98Å; E481-Y483 VanDerWaalsContact O-N 3.14Å; E481-Y567 HydrophobicContact CG-CE1 4.01Å; E481-Y567 HydrophobicContact CG-CE2 4.39Å
482	G	88.6	Confident	91.5	Very high	13 Å²	13	18.2 Å²	18.2	13%	0.134	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-16.5	173.9	0	0	0	0	0	116.3	R5 E478 W479 L480	R5-G482 PolarHBondContact NH2-O 3.02Å; E478-G482 PolarHBondContact O-N 2.92Å; W479-G482 PolarHBondContact O-N 2.89Å; L480-G482 PolarHBondContact O-N 3.38Å
483	Y	86.9	Confident	91.8	Very high	35 Å²	35	18.2 Å²	18.2	14%	0.137	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135.4	10.3	-178.7	-62.3	-72.7	0	0	0	114.8	R5 I8 W479 L480 E481 A485 T486 L487	R5-Y483 WeakPolarHBondContact CA-OH 3.24Å; R5-Y483 HydrophobicContact CG-CE1 4.08Å; R5-Y483 VanDerWaalsContact CG-OH 3.29Å; R5-Y483 WeakPolarHBondContact CG-OH 3.18Å; I8-Y483 HydrophobicContact CD1-CE2 4.13Å; I8-Y483 WeakPolarHBondContact CD1-OH 3.32Å; I8-Y483 HydrophobicContact CG2-CE1 4.48Å; W479-Y483 AromaticContact CD1-CE2 3.91Å; W479-Y483 AromaticContact NE1-CE2 3.63Å; W479-Y483 VanDerWaalsContact O-CD2 3.27Å; W479-Y483 WeakPolarHBondContact O-CD2 3.49Å; L480-Y483 CarbonylContact O-C 3.54Å; L480-Y483 PolarHBondContact O-N 3Å; L480-Y483 VanDerWaalsContact O-N 3.07Å; E481-Y483 PolarHBondContact O-N 2.98Å; E481-Y483 VanDerWaalsContact O-N 3.14Å; Y483-A485 VanDerWaalsContact C-N 3.33Å; Y483-A485 PolarHBondContact O-N 2.92Å; Y483-T486 PolarHBondContact O-N 3.32Å; Y483-T486 PolarHBondContact O-OG1 3.49Å; Y483-T486 VanDerWaalsContact O-OG1 3.06Å; Y483-L487 PolarHBondContact O-N 3.33Å; Y483-L487 VanDerWaalsContact O-N 3.07Å
484	S	78.4	Confident	91.9	Very high	42 Å²	42	18 Å²	18	29%	0.294	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-44.8	-44.3	-163.4	57.6	0	0	0	0	116.4	L480 T486 Y567	L480-S484 WeakPolarHBondContact O-CA 3.4Å; L480-S484 PolarHBondContact O-N 2.95Å; S484-T486 VanDerWaalsContact C-N 3.28Å; S484-T486 PolarHBondContact O-N 3.22Å; S484-Y567 VanDerWaalsContact CB-OH 3.24Å; S484-Y567 WeakPolarHBondContact CB-OH 3.35Å
485	A	76.5	Confident	92.1	Very high	73 Å²	73	18 Å²	18	60%	0.603	12%	0.115	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-9.7	-179.7	0	0	0	0	0	115.2	Y483	Y483-A485 VanDerWaalsContact C-N 3.33Å; Y483-A485 PolarHBondContact O-N 2.92Å
486	T	87.6	Confident	92.2	Very high	68 Å²	68	18 Å²	18	42%	0.417	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-132.5	-12.6	-168.3	64.4	0	0	0	0	115	Y483 S484 A489	Y483-T486 PolarHBondContact O-N 3.32Å; Y483-T486 PolarHBondContact O-OG1 3.49Å; Y483-T486 VanDerWaalsContact O-OG1 3.06Å; S484-T486 VanDerWaalsContact C-N 3.28Å; S484-T486 PolarHBondContact O-N 3.22Å; T486-A489 PolarHBondContact O-N 3.4Å
487	L	90.6	Very high	92.4	Very high	1 Å²	1	18 Å²	18	1%	0.005	12%	0.115	C	C	.	.	S	Bend	trans	-71.6	-38.5	-168	-170.6	61.5	0	0	0	113.1	Y415 W479 L480 Y483 A489 K490 A491 I570	Y415-L487 HydrophobicContact CE2-CD1 4.23Å; Y415-L487 VanDerWaalsContact OH-CD1 3.25Å; Y415-L487 WeakPolarHBondContact OH-CD1 3.44Å; W479-L487 HydrophobicContact CE3-CD2 4.22Å; W479-L487 HydrophobicContact CH2-CD1 3.84Å; W479-L487 HydrophobicContact CH2-CD2 4.05Å; W479-L487 HydrophobicContact CZ2-CD1 4.38Å; W479-L487 HydrophobicContact CZ3-CD1 4.28Å; W479-L487 HydrophobicContact CZ3-CD2 3.62Å; L480-L487 HydrophobicContact CD2-CD2 3.34Å; Y483-L487 PolarHBondContact O-N 3.33Å; Y483-L487 VanDerWaalsContact O-N 3.07Å; L487-A489 PolarHBondContact O-N 3.03Å; L487-K490 PolarHBondContact O-N 3.44Å; L487-A491 HydrophobicContact CD1-CB 4.05Å; L487-A491 HydrophobicContact CG-CB 4.01Å; L487-A491 WeakPolarHBondContact O-CB 3.34Å; L487-A491 PolarHBondContact O-N 3.48Å; L487-I570 HydrophobicContact CB-CD1 4.41Å; L487-I570 HydrophobicContact CD2-CD1 3.66Å; L487-I570 HydrophobicContact CG-CD1 3.75Å
488	H	88.8	Confident	92.4	Very high	26 Å²	26	18.8 Å²	18.8	12%	0.12	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-32.7	176.2	65.6	-89.7	0	0	0	112.9	K490 M699 Y703	H488-K490 PolarHBondContact O-N 3.48Å; H488-K490 VanDerWaalsContact O-N 3.16Å; H488-M699 WeakPolarHBondContact O-CE 3.4Å; H488-Y703 HydrophobicContact CB-CD2 3.69Å; H488-Y703 HydrophobicContact CB-CG 3.9Å; H488-Y703 AromaticContact CD2-CD1 3.94Å; H488-Y703 AromaticContact CD2-CG 3.71Å; H488-Y703 AromaticContact CE1-CD1 3.92Å; H488-Y703 AromaticContact CE1-CD2 3.86Å; H488-Y703 AromaticContact CE1-CE1 3.72Å; H488-Y703 AromaticContact CE1-CE2 3.65Å; H488-Y703 AromaticContact CE1-CG 3.98Å; H488-Y703 AromaticContact CE1-CZ 3.58Å; H488-Y703 AromaticContact CG-CD2 3.38Å; H488-Y703 AromaticContact CG-CE2 3.92Å; H488-Y703 AromaticContact CG-CG 3.46Å; H488-Y703 VanDerWaalsContact CG-CG 3.46Å; H488-Y703 AromaticContact ND1-CD2 3.22Å; H488-Y703 WeakPolarHBondContact ND1-CD2 3.47Å; H488-Y703 AromaticContact ND1-CE2 3.23Å; H488-Y703 WeakPolarHBondContact ND1-CE2 3.22Å; H488-Y703 AromaticContact ND1-CG 3.64Å; H488-Y703 AromaticContact ND1-CZ 3.69Å; H488-Y703 AromaticContact NE2-CD1 3.88Å
489	A	92.9	Very high	92.3	Very high	44 Å²	44	19.9 Å²	19.9	36%	0.364	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	3.7	178.2	0	0	0	0	0	113.6	R414 T486 L487	R414-A489 VanDerWaalsContact CZ-O 3.23Å; R414-A489 PolarHBondContact NH1-O 3.4Å; R414-A489 VanDerWaalsContact NH1-O 3.11Å; T486-A489 PolarHBondContact O-N 3.4Å; L487-A489 PolarHBondContact O-N 3.03Å
490	K	95.5	Very high	92.3	Very high	58 Å²	58	19.8 Å²	19.8	25%	0.252	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-135.1	-50.8	179.8	-57	-176.8	-178.6	177.3	0	112.2	R414 Y415 L487 H488 F492	R414-K490 CarbonylContact C-O 3.54Å; R414-K490 WeakPolarHBondContact CA-O 3.39Å; Y415-K490 HydrophobicContact CD1-CB 4.22Å; Y415-K490 HydrophobicContact CE1-CB 3.49Å; Y415-K490 VanDerWaalsContact CE1-CB 3.49Å; Y415-K490 HydrophobicContact CE1-CD 4.27Å; Y415-K490 HydrophobicContact CE1-CG 4.46Å; Y415-K490 PolarHBondContact N-O 3.38Å; L487-K490 PolarHBondContact O-N 3.44Å; H488-K490 PolarHBondContact O-N 3.48Å; H488-K490 VanDerWaalsContact O-N 3.16Å; K490-F492 PolarHBondContact O-N 3.43Å
491	A	97.1	Very high	92.5	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.008	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	106.1	176.5	0	0	0	0	0	110.1	Y415 V417 L487 I570	Y415-A491 HydrophobicContact CD2-CB 3.99Å; Y415-A491 HydrophobicContact CE2-CB 3.63Å; Y415-A491 WeakPolarHBondContact O-CA 3.34Å; V417-A491 HydrophobicContact CG2-CB 4.47Å; L487-A491 HydrophobicContact CD1-CB 4.05Å; L487-A491 HydrophobicContact CG-CB 4.01Å; L487-A491 WeakPolarHBondContact O-CB 3.34Å; L487-A491 PolarHBondContact O-N 3.48Å; A491-I570 HydrophobicContact CB-CD1 3.87Å; A491-I570 HydrophobicContact CB-CG1 4.35Å; A491-I570 HydrophobicContact CB-CG2 4.3Å
492	F	96.9	Very high	92.7	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	-15.6	-178.9	59.4	-103.6	0	0	0	113.7	R414 Y415 V416 R459 K490 P571 L621 T622 L627 M699	R414-F492 HydrophobicContact CB-CD1 4.17Å; R414-F492 HydrophobicContact CB-CE1 4.28Å; Y415-F492 VanDerWaalsContact C-CZ 3.49Å; Y415-F492 VanDerWaalsContact CA-CE1 3.47Å; Y415-F492 VanDerWaalsContact O-CD1 3.31Å; Y415-F492 WeakPolarHBondContact O-CD1 3.28Å; Y415-F492 WeakPolarHBondContact O-CE1 3.23Å; Y415-F492 PolarHBondContact O-N 3.11Å; V416-F492 HydrophobicContact CB-CE2 3.68Å; V416-F492 HydrophobicContact CB-CZ 3.71Å; V416-F492 HydrophobicContact CG1-CZ 4.3Å; V416-F492 VanDerWaalsContact N-CZ 3.26Å; R459-F492 HydrophobicContact CB-CE1 3.8Å; R459-F492 HydrophobicContact CB-CZ 4.19Å; R459-F492 HydrophobicContact CG-CE1 4.09Å; K490-F492 PolarHBondContact O-N 3.43Å; F492-P571 WeakPolarHBondContact O-CD 3.09Å; F492-P571 WeakPolarHBondContact O-CG 3.36Å; F492-L621 HydrophobicContact CE2-CB 3.69Å; F492-L621 HydrophobicContact CE2-CD1 4.22Å; F492-L621 HydrophobicContact CE2-CG 4.38Å; F492-L621 HydrophobicContact CZ-CB 4.34Å; F492-T622 HydrophobicContact CZ-CG2 4.08Å; F492-L627 HydrophobicContact CB-CD1 4.13Å; F492-L627 HydrophobicContact CB-CD2 4.32Å; F492-L627 HydrophobicContact CD1-CD2 4.06Å; F492-L627 HydrophobicContact CD2-CD2 3.69Å; F492-L627 HydrophobicContact CE1-CD2 4.3Å; F492-L627 HydrophobicContact CE2-CD2 4Å; F492-L627 HydrophobicContact CG-CD1 4.36Å; F492-L627 HydrophobicContact CG-CD2 3.74Å; F492-L627 HydrophobicContact CZ-CD2 4.28Å; F492-M699 HydrophobicContact CB-CE 3.95Å; F492-M699 HydrophobicContact CB-CG 3.67Å; F492-M699 HydrophobicContact CB-SD 3.79Å
493	T	98.5	Very high	93	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	145.7	174.4	-65.4	0	0	0	0	111.4	V416 V417 I495 L515 P571 L621	V416-T493 HydrophobicContact CG2-CG2 4.33Å; V417-T493 PolarHBondContact N-O 3.04Å; T493-I495 HydrophobicContact CG2-CG1 4.06Å; T493-L515 HydrophobicContact CG2-CD1 4.14Å; T493-L515 HydrophobicContact CG2-CD2 4.04Å; T493-P571 CarbonylContact C-O 3.57Å; T493-P571 WeakPolarHBondContact CA-O 3.49Å; T493-L621 HydrophobicContact CG2-CD1 3.83Å
494	Y	98.6	Very high	93.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	128.4	166.4	179.2	-100.3	0	0	0	111.6	V417 G419 W466 N496 A561 F564 P571 A572 V573	V417-Y494 HydrophobicContact CB-CD2 3.89Å; V417-Y494 HydrophobicContact CG1-CD2 3.73Å; V417-Y494 HydrophobicContact CG1-CE2 3.97Å; V417-Y494 CarbonylContact O-C 3.54Å; V417-Y494 WeakPolarHBondContact O-CA 3.46Å; G419-Y494 WeakPolarHBondContact CA-OH 3.13Å; W466-Y494 HydrophobicContact CZ2-CE2 4.23Å; W466-Y494 AromaticContact NE1-CE2 3.87Å; W466-Y494 AromaticContact NE1-CZ 3.86Å; W466-Y494 PolarHBondContact NE1-OH 2.98Å; Y494-N496 HydrophobicContact CD1-CB 4.28Å; Y494-N496 HydrophobicContact CE1-CB 3.6Å; Y494-N496 WeakPolarHBondContact CE1-OD1 3Å; Y494-N496 PolarHBondContact OH-OD1 3.03Å; Y494-A561 HydrophobicContact CD1-CB 3.9Å; Y494-A561 HydrophobicContact CE1-CB 3.93Å; Y494-F564 VanDerWaalsContact CB-CD1 3.45Å; Y494-F564 HydrophobicContact CD1-CB 4.32Å; Y494-F564 HydrophobicContact CD1-CD1 4.49Å; Y494-F564 AromaticContact CD1-CD2 3.94Å; Y494-F564 HydrophobicContact CD1-CD2 3.94Å; Y494-F564 HydrophobicContact CD1-CE2 4.39Å; Y494-F564 HydrophobicContact CD1-CG 4.01Å; Y494-F564 AromaticContact CD2-CD1 3.7Å; Y494-F564 HydrophobicContact CD2-CD1 3.7Å; Y494-F564 AromaticContact CD2-CD2 3.79Å; Y494-F564 HydrophobicContact CD2-CD2 3.79Å; Y494-F564 AromaticContact CD2-CE1 3.38Å; Y494-F564 HydrophobicContact CD2-CE1 3.38Å; Y494-F564 AromaticContact CD2-CE2 3.51Å; Y494-F564 HydrophobicContact CD2-CE2 3.51Å; Y494-F564 AromaticContact CD2-CG 3.89Å; Y494-F564 HydrophobicContact CD2-CG 3.89Å; Y494-F564 AromaticContact CD2-CZ 3.29Å; Y494-F564 HydrophobicContact CD2-CZ 3.29Å; Y494-F564 HydrophobicContact CE1-CD2 4.11Å; Y494-F564 HydrophobicContact CE1-CE2 4.32Å; Y494-F564 AromaticContact CE2-CD2 3.99Å; Y494-F564 HydrophobicContact CE2-CD2 3.99Å; Y494-F564 HydrophobicContact CE2-CE1 4.11Å; Y494-F564 AromaticContact CE2-CE2 3.45Å; Y494-F564 HydrophobicContact CE2-CE2 3.45Å; Y494-F564 VanDerWaalsContact CE2-CE2 3.45Å; Y494-F564 AromaticContact CE2-CZ 3.52Å; Y494-F564 HydrophobicContact CE2-CZ 3.52Å; Y494-F564 HydrophobicContact CG-CB 4.19Å; Y494-F564 AromaticContact CG-CD1 3.64Å; Y494-F564 HydrophobicContact CG-CD1 3.64Å; Y494-F564 AromaticContact CG-CD2 3.77Å; Y494-F564 HydrophobicContact CG-CD2 3.77Å; Y494-F564 AromaticContact CG-CE1 3.85Å; Y494-F564 HydrophobicContact CG-CE1 3.85Å; Y494-F564 HydrophobicContact CG-CE2 4Å; Y494-F564 AromaticContact CG-CG 3.59Å; Y494-F564 HydrophobicContact CG-CG 3.59Å; Y494-F564 HydrophobicContact CG-CZ 4.05Å; Y494-F564 AromaticContact CZ-CE2 3.89Å; Y494-P571 PolarHBondContact N-O 2.8Å; Y494-A572 HydrophobicContact CD1-CB 4.38Å; Y494-A572 CarbonylContact O-C 3.52Å; Y494-A572 WeakPolarHBondContact O-CA 3.32Å; Y494-V573 PolarHBondContact O-N 3.47Å
495	I	98.7	Very high	93.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	116.2	177.8	-54.2	176.7	0	0	0	108.4	V416 V417 I418 G419 T493 L497 V573 F575 A614 I617 A618	V416-I495 HydrophobicContact CG2-CD1 3.76Å; V416-I495 HydrophobicContact CG2-CG1 3.99Å; V417-I495 PolarHBondContact O-N 3.2Å; I418-I495 WeakPolarHBondContact CA-O 3.22Å; I418-I495 HydrophobicContact CG1-CB 4.46Å; I418-I495 HydrophobicContact CG1-CD1 4.33Å; G419-I495 PolarHBondContact N-O 2.82Å; T493-I495 HydrophobicContact CG2-CG1 4.06Å; I495-L497 HydrophobicContact CG2-CD2 4.39Å; I495-V573 HydrophobicContact CB-CG1 4.42Å; I495-V573 HydrophobicContact CG1-CG1 4.17Å; I495-V573 HydrophobicContact CG2-CG1 4.39Å; I495-F575 HydrophobicContact CG2-CE1 4.48Å; I495-A614 HydrophobicContact CG2-CB 4.02Å; I495-I617 HydrophobicContact CD1-CB 4.01Å; I495-I617 HydrophobicContact CD1-CG2 3.53Å; I495-I617 HydrophobicContact CG1-CG2 4.11Å; I495-A618 HydrophobicContact CD1-CB 3.93Å
496	N	98.4	Very high	94.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	133.9	-177.2	-155.3	56.3	0	0	0	111.9	Y494 D498 A561 V573 S574	Y494-N496 HydrophobicContact CD1-CB 4.28Å; Y494-N496 HydrophobicContact CE1-CB 3.6Å; Y494-N496 WeakPolarHBondContact CE1-OD1 3Å; Y494-N496 PolarHBondContact OH-OD1 3.03Å; N496-D498 VanDerWaalsContact ND2-CG 3.26Å; N496-D498 PolarHBondContact ND2-OD2 3.16Å; N496-D498 PolarHBondContact OD1-OD2 3.21Å; N496-A561 HydrophobicContact CB-CB 3.92Å; N496-V573 VanDerWaalsContact CB-O 3.29Å; N496-V573 WeakPolarHBondContact CB-O 3.49Å; N496-V573 PolarHBondContact N-O 2.89Å; N496-S574 PolarHBondContact ND2-OG 2.99Å
497	L	98.3	Very high	94.7	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	11%	0.11	C	C	.	.			trans	-111.6	-1.5	-177.9	-54.4	177.7	0	0	0	114	I418 G419 A420 G435 I438 L439 I495 A614	I418-L497 HydrophobicContact CG2-CD1 3.7Å; I418-L497 HydrophobicContact CG2-CD2 4.42Å; I418-L497 HydrophobicContact CG2-CG 4.11Å; G419-L497 WeakPolarHBondContact O-CB 3.39Å; G419-L497 WeakPolarHBondContact O-CG 3.17Å; G419-L497 PolarHBondContact O-N 2.78Å; A420-L497 HydrophobicContact CB-CB 4.09Å; A420-L497 HydrophobicContact CB-CD1 4.48Å; G435-L497 WeakPolarHBondContact CA-O 3.4Å; I438-L497 HydrophobicContact CB-CD1 4.22Å; I438-L497 HydrophobicContact CG2-CD1 3.83Å; I438-L497 HydrophobicContact CG2-CD2 3.95Å; I438-L497 HydrophobicContact CG2-CG 4.41Å; L439-L497 HydrophobicContact CB-CD1 3.91Å; L439-L497 HydrophobicContact CD1-CD1 3.99Å; I495-L497 HydrophobicContact CG2-CD2 4.39Å; L497-A614 HydrophobicContact CD2-CB 3.64Å
498	D	95.1	Very high	94.8	Very high	18 Å²	18	25 Å²	25	10%	0.096	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	136.6	-179.9	-48.1	-26.3	0	0	0	111.2	Q421 N496 A500 A560	Q421-D498 WeakPolarHBondContact CB-OD1 3.15Å; Q421-D498 PolarHBondContact N-OD1 2.66Å; N496-D498 VanDerWaalsContact ND2-CG 3.26Å; N496-D498 PolarHBondContact ND2-OD2 3.16Å; N496-D498 PolarHBondContact OD1-OD2 3.21Å; D498-A500 PolarHBondContact O-N 3.37Å; D498-A560 WeakPolarHBondContact OD2-CB 3.46Å
499	A	91.6	Very high	95	Very high	23 Å²	23	23.9 Å²	23.9	19%	0.19	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	31.8	174.4	0	0	0	0	0	115.7	A430 K431 V501 L502	A430-A499 WeakPolarHBondContact O-CA 3.47Å; K431-A499 PolarHBondContact O-N 2.85Å; A499-V501 PolarHBondContact O-N 2.81Å; A499-L502 HydrophobicContact CB-CD1 4.06Å; A499-L502 HydrophobicContact CB-CD2 4.14Å; A499-L502 HydrophobicContact CB-CG 4.12Å
500	A	95.6	Very high	95.1	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.008	10%	0.102	C	C	.	.			trans	-62.7	-12.4	-173	0	0	0	0	0	115.4	V434 I438 D498 G576 F577 A610	V434-A500 HydrophobicContact CG1-CB 4.17Å; I438-A500 HydrophobicContact CD1-CB 3.99Å; D498-A500 PolarHBondContact O-N 3.37Å; A500-G576 CarbonylContact O-C 3.44Å; A500-G576 WeakPolarHBondContact O-CA 3.27Å; A500-F577 PolarHBondContact O-N 2.93Å; A500-A610 HydrophobicContact CB-CB 4.16Å
501	V	96.9	Very high	95.2	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.092	C	C	.	.	B	Isolated β-bridge	trans	-137.1	101.1	172.3	-172.3	0	0	0	0	110.4	V434 A499 F577 I600 L603 L606 I607	V434-V501 HydrophobicContact CG1-CB 4.39Å; V434-V501 HydrophobicContact CG1-CG2 4.17Å; A499-V501 PolarHBondContact O-N 2.81Å; V501-F577 HydrophobicContact CG1-CB 4.45Å; V501-F577 HydrophobicContact CG2-CD2 4.14Å; V501-I600 HydrophobicContact CG1-CD1 4.12Å; V501-I600 HydrophobicContact CG1-CG2 4.19Å; V501-L603 HydrophobicContact CB-CD1 4.5Å; V501-L603 HydrophobicContact CG1-CD1 3.96Å; V501-L606 HydrophobicContact CG1-CB 3.98Å; V501-L606 HydrophobicContact CG1-CD1 4.04Å; V501-L606 HydrophobicContact CG2-CB 3.97Å; V501-I607 HydrophobicContact CB-CG1 4.43Å; V501-I607 HydrophobicContact CG2-CG1 3.77Å
502	L	95.2	Very high	95.1	Very high	36 Å²	36	19.3 Å²	19.3	19%	0.188	9%	0.092	C	C	.	.	S	Bend	trans	-112.1	-17.2	173.8	-67.8	177.8	0	0	0	112.7	A430 A499 F577 Y584 L587	A430-L502 HydrophobicContact CB-CD2 3.97Å; A499-L502 HydrophobicContact CB-CD1 4.06Å; A499-L502 HydrophobicContact CB-CD2 4.14Å; A499-L502 HydrophobicContact CB-CG 4.12Å; L502-F577 CarbonylContact C-O 3.59Å; L502-F577 PolarHBondContact N-O 2.88Å; L502-Y584 HydrophobicContact CD2-CD1 3.75Å; L502-Y584 HydrophobicContact CD2-CE1 4.48Å; L502-Y584 HydrophobicContact CD2-CG 3.89Å; L502-Y584 WeakPolarHBondContact O-CD2 3.12Å; L502-L587 HydrophobicContact CD2-CD1 4.02Å
503	G	94.2	Very high	95.1	Very high	2 Å²	2	19.3 Å²	19.3	2%	0.021	9%	0.092	C	C	.	.			trans	-155.1	-165.7	175.5	0	0	0	0	0	111.1	F577	G503-F577 PolarHBondContact N-O 2.89Å; G503-F577 VanDerWaalsContact O-CB 3.26Å; G503-F577 WeakPolarHBondContact O-CB 3.2Å
504	W	91.9	Very high	95	Very high	101 Å²	101	19.3 Å²	19.3	38%	0.383	9%	0.092	S	C	.	.	S	Bend	trans	-134.3	-9.1	-173.5	65.9	-94.6	0	0	0	115.2	R543 N579 I600 L606	W504-R543 PolarHBondContact O-NH1 3.24Å; W504-N579 PolarHBondContact N-OD1 3.19Å; W504-N579 VanDerWaalsContact N-OD1 3.08Å; W504-I600 HydrophobicContact CB-CG2 3.91Å; W504-L606 HydrophobicContact CB-CD1 3.71Å
505	K	90.3	Very high	94.9	Very high	80 Å²	80	19.4 Å²	19.4	35%	0.348	9%	0.092	S	C	.	.	S	Bend	trans	-86.5	-51.5	-172.1	-66.1	170	-175.4	160.6	0	112.9	Y578 N579 E582	K505-Y578 PolarHBondContact N-O 3.31Å; K505-N579 HydrophobicContact CD-CB 4.26Å; K505-N579 WeakPolarHBondContact CG-OD1 3.31Å; K505-N579 PolarHBondContact N-OD1 2.69Å; K505-E582 IonicContact NZ-OE2 3.31Å
506	H	91.4	Very high	94.8	Very high	58 Å²	58	20.1 Å²	20.1	27%	0.269	10%	0.095	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	171	-170	-54.1	96	0	0	0	111.3	F577 Y578 K580	H506-F577 WeakPolarHBondContact O-CA 3.44Å; H506-Y578 HydrophobicContact CB-CD1 3.77Å; H506-Y578 HydrophobicContact CB-CE1 3.44Å; H506-Y578 VanDerWaalsContact CB-CE1 3.44Å; H506-Y578 PolarHBondContact N-O 2.91Å; H506-Y578 PolarHBondContact O-N 2.95Å; H506-K580 PolarHBondContact ND1-N 3.3Å
507	V	92.5	Very high	94.6	Very high	9 Å²	9	20.6 Å²	20.6	6%	0.055	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	131	170	178.4	0	0	0	0	109	I509 L540 R543 V544 G576 F577 Y578	V507-I509 HydrophobicContact CG1-CG1 4.05Å; V507-L540 HydrophobicContact CG2-CD1 3.83Å; V507-L540 HydrophobicContact CG2-CG 4.29Å; V507-R543 HydrophobicContact CG2-CB 3.99Å; V507-V544 HydrophobicContact CB-CG2 4.28Å; V507-G576 CarbonylContact C-O 3.6Å; V507-G576 WeakPolarHBondContact CA-O 3.34Å; V507-F577 HydrophobicContact CG2-CD1 3.78Å; V507-F577 HydrophobicContact CG2-CE1 3.71Å; V507-F577 HydrophobicContact CG2-CZ 4.47Å; V507-Y578 VanDerWaalsContact C-CE1 3.47Å
508	K	92.4	Very high	94.5	Very high	66 Å²	66	20.7 Å²	20.7	29%	0.287	10%	0.1	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	139.6	170.7	-178.1	178	175.8	-176.4	0	108.3	V553 F575 G576 Y578	K508-V553 HydrophobicContact CG-CG2 4.24Å; K508-F575 CarbonylContact O-C 3.51Å; K508-F575 VanDerWaalsContact O-CA 3.27Å; K508-F575 WeakPolarHBondContact O-CA 3.24Å; K508-G576 PolarHBondContact N-O 3.06Å; K508-G576 PolarHBondContact O-N 3.45Å; K508-Y578 HydrophobicContact CB-CD1 3.64Å; K508-Y578 HydrophobicContact CB-CE1 3.7Å; K508-Y578 HydrophobicContact CB-CG 4.17Å
509	I	93.8	Very high	94.5	Very high	3 Å²	3	20 Å²	20	2%	0.015	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	136.9	179.4	-53.9	175.8	0	0	0	108.1	V507 A511 L519 M523 V544 W548 V552 V553	V507-I509 HydrophobicContact CG1-CG1 4.05Å; I509-A511 HydrophobicContact CG2-CB 4.31Å; I509-L519 HydrophobicContact CG2-CD1 3.99Å; I509-M523 HydrophobicContact CD1-CE 3.53Å; I509-M523 HydrophobicContact CD1-SD 3.46Å; I509-M523 WeakPolarHBondContact CD1-SD 3.4Å; I509-V544 HydrophobicContact CD1-CG1 3.95Å; I509-V544 HydrophobicContact CD1-CG2 4.39Å; I509-W548 HydrophobicContact CD1-CE3 3.81Å; I509-W548 HydrophobicContact CD1-CZ3 3.85Å; I509-W548 HydrophobicContact CG2-CZ3 4.25Å; I509-V552 WeakPolarHBondContact O-CA 3.23Å; I509-V553 PolarHBondContact O-N 2.94Å
510	S	95.1	Very high	94.5	Very high	3 Å²	3	22.3 Å²	22.3	2%	0.021	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	103.3	176.2	-64.4	0	0	0	0	107.7	V553 S574	S510-V553 WeakPolarHBondContact CA-O 3.48Å; S510-V553 WeakPolarHBondContact CB-O 3.4Å; S510-V553 PolarHBondContact OG-O 3.5Å; S510-S574 PolarHBondContact N-O 3.3Å; S510-S574 PolarHBondContact O-N 3.08Å
511	A	95.8	Very high	94.4	Very high	5 Å²	5	29.4 Å²	29.4	4%	0.041	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	160.3	-169.4	0	0	0	0	0	112.9	I509 Y516 L519 A572 V573	I509-A511 HydrophobicContact CG2-CB 4.31Å; A511-Y516 HydrophobicContact CB-CE1 4.38Å; A511-L519 HydrophobicContact CB-CD1 3.67Å; A511-A572 CarbonylContact C-O 3.57Å; A511-A572 VanDerWaalsContact CA-O 3.24Å; A511-A572 WeakPolarHBondContact CA-O 3.5Å; A511-V573 HydrophobicContact CB-CB 3.95Å; A511-V573 HydrophobicContact CB-CG2 3.92Å
512	S	96.6	Very high	94.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	13%	0.13	C	C	.	.			trans	-60.6	142.2	160.7	165.4	0	0	0	0	111	M514 L515 A572 E702	S512-M514 PolarHBondContact O-N 2.82Å; S512-M514 VanDerWaalsContact O-N 3.15Å; S512-M514 PolarHBondContact OG-N 2.79Å; S512-L515 PolarHBondContact O-N 2.9Å; S512-A572 PolarHBondContact N-O 3.38Å; S512-E702 WeakPolarHBondContact CB-OE2 3.43Å; S512-E702 PolarHBondContact OG-OE2 3.01Å
513	P	96.1	Very high	94.1	Very high	0 Å²	0	28 Å²	28	0%	0	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-53.5	-31.2	172.9	-25.3	34.2	0	0	0	113.7	L515 Y516 R633 Y634 E637 F722	P513-L515 PolarHBondContact O-N 2.91Å; P513-L515 VanDerWaalsContact O-N 3.1Å; P513-Y516 HydrophobicContact CB-CD2 4.19Å; P513-Y516 HydrophobicContact CB-CE2 3.84Å; P513-Y516 HydrophobicContact CG-CE2 4.24Å; P513-Y516 WeakPolarHBondContact O-CB 3.31Å; P513-Y516 PolarHBondContact O-N 2.82Å; P513-R633 HydrophobicContact CB-CB 3.62Å; P513-R633 HydrophobicContact CB-CG 4.46Å; P513-Y634 HydrophobicContact CG-CE1 4.17Å; P513-E637 HydrophobicContact CB-CG 4.2Å; P513-E637 HydrophobicContact CG-CG 3.86Å; P513-F722 HydrophobicContact CG-CZ 4.2Å
514	M	96.3	Very high	93.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-61.6	-20.1	177.6	-61.5	-174.2	60.1	0	0	113.2	S512 P571 L629 D630 F631 Y634 I698 V701 E702	S512-M514 PolarHBondContact O-N 2.82Å; S512-M514 VanDerWaalsContact O-N 3.15Å; S512-M514 PolarHBondContact OG-N 2.79Å; M514-P571 HydrophobicContact SD-CG 4.38Å; M514-L629 HydrophobicContact CB-CB 4.39Å; M514-L629 HydrophobicContact CE-CB 3.84Å; M514-L629 HydrophobicContact CE-CD1 4.37Å; M514-L629 CarbonylContact O-C 3.43Å; M514-L629 WeakPolarHBondContact O-CA 3.47Å; M514-D630 PolarHBondContact O-N 2.85Å; M514-F631 HydrophobicContact CE-CB 3.9Å; M514-Y634 HydrophobicContact CG-CD2 4.07Å; M514-Y634 HydrophobicContact CG-CE2 3.84Å; M514-Y634 HydrophobicContact SD-CD2 4.27Å; M514-Y634 HydrophobicContact SD-CE2 3.96Å; M514-I698 HydrophobicContact CE-CG2 4.2Å; M514-I698 WeakPolarHBondContact CE-O 3.22Å; M514-V701 HydrophobicContact CE-CB 4.17Å; M514-V701 HydrophobicContact CE-CG1 4.49Å; M514-V701 HydrophobicContact SD-CB 4.1Å; M514-V701 HydrophobicContact SD-CG1 3.98Å; M514-E702 HydrophobicContact SD-CB 4.16Å
515	L	97.3	Very high	93.7	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-95.9	-4.4	178.8	-67	165.7	0	0	0	113.3	T493 S512 P513 A517 L518 L519 P571 V573 L629	T493-L515 HydrophobicContact CG2-CD1 4.14Å; T493-L515 HydrophobicContact CG2-CD2 4.04Å; S512-L515 PolarHBondContact O-N 2.9Å; P513-L515 PolarHBondContact O-N 2.91Å; P513-L515 VanDerWaalsContact O-N 3.1Å; L515-A517 PolarHBondContact O-N 2.82Å; L515-L518 HydrophobicContact CD2-CD2 4.19Å; L515-L518 WeakPolarHBondContact O-CB 3.37Å; L515-L518 PolarHBondContact O-N 3.37Å; L515-L519 HydrophobicContact CB-CD1 4.09Å; L515-L519 WeakPolarHBondContact O-CG 3.44Å; L515-L519 PolarHBondContact O-N 2.96Å; L515-P571 HydrophobicContact CD1-CB 4.16Å; L515-P571 HydrophobicContact CG-CB 4.33Å; L515-V573 HydrophobicContact CD1-CB 3.86Å; L515-V573 HydrophobicContact CD1-CG1 3.98Å; L515-L629 HydrophobicContact CD2-CD2 3.52Å; L515-L629 HydrophobicContact CG-CD2 4.23Å
516	Y	95.5	Very high	93.7	Very high	15 Å²	15	25.9 Å²	25.9	6%	0.059	12%	0.124	C	C	.	.	H	α-helix	trans	-62.4	-47.9	-172.7	-68	-10.4	0	0	0	113.1	A511 P513 L518 L519 E520 W548 V549 V552	A511-Y516 HydrophobicContact CB-CE1 4.38Å; P513-Y516 HydrophobicContact CB-CD2 4.19Å; P513-Y516 HydrophobicContact CB-CE2 3.84Å; P513-Y516 HydrophobicContact CG-CE2 4.24Å; P513-Y516 WeakPolarHBondContact O-CB 3.31Å; P513-Y516 PolarHBondContact O-N 2.82Å; Y516-L518 PolarHBondContact O-N 3.48Å; Y516-L519 PolarHBondContact O-N 3.01Å; Y516-E520 PolarHBondContact O-N 2.73Å; Y516-W548 AromaticContact CD1-CH2 3.94Å; Y516-W548 HydrophobicContact CD1-CH2 3.94Å; Y516-W548 HydrophobicContact CD1-CZ3 4.41Å; Y516-W548 HydrophobicContact CG-CH2 4.02Å; Y516-W548 WeakPolarHBondContact O-CZ2 3.2Å; Y516-V549 HydrophobicContact CD2-CG1 4.04Å; Y516-V549 HydrophobicContact CD2-CG2 4.41Å; Y516-V549 HydrophobicContact CE2-CG1 3.73Å; Y516-V552 HydrophobicContact CE1-CG1 4.2Å; Y516-V552 HydrophobicContact CE1-CG2 4.06Å
517	A	94.3	Very high	93.5	Very high	11 Å²	11	28.1 Å²	28.1	9%	0.091	14%	0.136	C	C	.	.	H	α-helix	trans	-64.2	-26.8	178.6	0	0	0	0	0	113.1	L515 R521 Y628 D630	L515-A517 PolarHBondContact O-N 2.82Å; A517-R521 WeakPolarHBondContact O-CG 3.35Å; A517-R521 PolarHBondContact O-N 3.26Å; A517-Y628 HydrophobicContact CB-CE1 4.28Å; A517-D630 HydrophobicContact CB-CB 4Å
518	L	95.6	Very high	93.2	Very high	3 Å²	3	27.9 Å²	27.9	2%	0.016	14%	0.135	C	C	.	.	H	α-helix	trans	-73.6	-50.3	174	-179.6	49	0	0	0	110.6	L515 Y516 E520 R521 T522 I617 R620 L621 Y628	L515-L518 HydrophobicContact CD2-CD2 4.19Å; L515-L518 WeakPolarHBondContact O-CB 3.37Å; L515-L518 PolarHBondContact O-N 3.37Å; Y516-L518 PolarHBondContact O-N 3.48Å; L518-E520 VanDerWaalsContact C-N 3.35Å; L518-E520 PolarHBondContact O-N 2.95Å; L518-R521 PolarHBondContact O-N 2.67Å; L518-T522 PolarHBondContact O-N 2.97Å; L518-T522 PolarHBondContact O-OG1 3.47Å; L518-I617 HydrophobicContact CD2-CG2 3.82Å; L518-I617 HydrophobicContact CG-CG2 4.45Å; L518-R620 HydrophobicContact CD1-CB 3.91Å; L518-R620 HydrophobicContact CD1-CG 3.78Å; L518-L621 HydrophobicContact CD2-CD1 3.91Å; L518-L621 HydrophobicContact CD2-CD2 3.75Å; L518-L621 HydrophobicContact CD2-CG 3.65Å; L518-Y628 HydrophobicContact CB-CD1 3.84Å; L518-Y628 HydrophobicContact CB-CE1 4.1Å; L518-Y628 HydrophobicContact CD1-CD1 3.9Å; L518-Y628 HydrophobicContact CD1-CE1 4.47Å; L518-Y628 HydrophobicContact CG-CD1 4.3Å
519	L	95.3	Very high	92.7	Very high	3 Å²	3	25.7 Å²	25.7	2%	0.016	13%	0.127	C	C	.	.	H	α-helix	trans	-58.7	-44.9	-179.3	-74.9	162	0	0	0	111.8	I509 A511 L515 Y516 R521 T522 M523 W548 V573 I617	I509-L519 HydrophobicContact CG2-CD1 3.99Å; A511-L519 HydrophobicContact CB-CD1 3.67Å; L515-L519 HydrophobicContact CB-CD1 4.09Å; L515-L519 WeakPolarHBondContact O-CG 3.44Å; L515-L519 PolarHBondContact O-N 2.96Å; Y516-L519 PolarHBondContact O-N 3.01Å; L519-R521 PolarHBondContact O-N 3.44Å; L519-T522 PolarHBondContact O-N 3.49Å; L519-M523 HydrophobicContact CB-CE 4.32Å; L519-M523 WeakPolarHBondContact O-CB 3.36Å; L519-M523 VanDerWaalsContact O-CG 3.22Å; L519-M523 WeakPolarHBondContact O-CG 3.33Å; L519-M523 PolarHBondContact O-N 3.23Å; L519-W548 HydrophobicContact CB-CH2 4.09Å; L519-V573 HydrophobicContact CD1-CG2 4.01Å; L519-V573 HydrophobicContact CD2-CG2 4.01Å; L519-I617 HydrophobicContact CD2-CD1 3.67Å
520	E	93.3	Very high	91.8	Very high	72 Å²	72	28.9 Å²	28.9	34%	0.336	15%	0.154	S	C	.	.	H	α-helix	trans	-57.4	-49.7	175.7	-175.5	166.3	-95	0	0	112	Y516 L518 T522 M523 M524 W548	Y516-E520 PolarHBondContact O-N 2.73Å; L518-E520 VanDerWaalsContact C-N 3.35Å; L518-E520 PolarHBondContact O-N 2.95Å; E520-T522 PolarHBondContact O-N 2.9Å; E520-M523 PolarHBondContact O-N 3.37Å; E520-M524 HydrophobicContact CG-SD 4.47Å; E520-M524 WeakPolarHBondContact O-CG 3.24Å; E520-M524 PolarHBondContact O-N 3.45Å; E520-W548 HydrophobicContact CB-CZ2 4Å; E520-W548 PolarHBondContact OE1-NE1 3.02Å
521	R	92.7	Very high	90.6	Very high	150 Å²	150	32 Å²	32	57%	0.566	17%	0.167	S	C	*	.	H	α-helix	trans	-63.2	-40.5	178.3	-72.1	177.6	176.4	-162.9	1.2	112.5	A517 L518 L519 M524 G525 Y628	A517-R521 WeakPolarHBondContact O-CG 3.35Å; A517-R521 PolarHBondContact O-N 3.26Å; L518-R521 PolarHBondContact O-N 2.67Å; L519-R521 PolarHBondContact O-N 3.44Å; R521-M524 PolarHBondContact O-N 2.98Å; R521-G525 PolarHBondContact O-N 2.84Å; R521-Y628 PolarHBondContact NE-OH 3.26Å; R521-Y628 PolarHBondContact NH1-OH 2.87Å; R521-Y628 VanDerWaalsContact NH1-OH 3.15Å; R521-Y628 PolarHBondContact NH2-OH 2.94Å
522	T	94.1	Very high	88.9	Confident	2 Å²	2	35.1 Å²	35.1	1%	0.012	19%	0.193	C	C	.	.	H	α-helix	trans	-65.1	-43.3	174.2	-64.7	0	0	0	0	111.5	L518 L519 E520 M524 G525 V526 V613 Q616 I617	L518-T522 PolarHBondContact O-N 2.97Å; L518-T522 PolarHBondContact O-OG1 3.47Å; L519-T522 PolarHBondContact O-N 3.49Å; E520-T522 PolarHBondContact O-N 2.9Å; T522-M524 VanDerWaalsContact C-N 3.33Å; T522-M524 PolarHBondContact O-N 2.92Å; T522-G525 CarbonylContact O-C 3.54Å; T522-G525 WeakPolarHBondContact O-CA 3.4Å; T522-G525 PolarHBondContact O-N 3.41Å; T522-V526 HydrophobicContact CG2-CG2 4.11Å; T522-V526 WeakPolarHBondContact O-CG2 3.46Å; T522-V526 PolarHBondContact O-N 3.31Å; T522-V613 HydrophobicContact CG2-CB 4.3Å; T522-V613 HydrophobicContact CG2-CG1 3.99Å; T522-V613 HydrophobicContact CG2-CG2 4.38Å; T522-Q616 HydrophobicContact CG2-CB 3.81Å; T522-I617 HydrophobicContact CG2-CG1 4.31Å
523	M	91.6	Very high	86.9	Confident	4 Å²	4	44.6 Å²	44.6	2%	0.02	24%	0.237	C	C	.	.	H	α-helix	trans	-71.3	-24.7	179.1	-70	-173	-62.7	0	0	113.8	I509 L519 E520 L540 L541 V544 W548	I509-M523 HydrophobicContact CD1-CE 3.53Å; I509-M523 HydrophobicContact CD1-SD 3.46Å; I509-M523 WeakPolarHBondContact CD1-SD 3.4Å; L519-M523 HydrophobicContact CB-CE 4.32Å; L519-M523 WeakPolarHBondContact O-CB 3.36Å; L519-M523 VanDerWaalsContact O-CG 3.22Å; L519-M523 WeakPolarHBondContact O-CG 3.33Å; L519-M523 PolarHBondContact O-N 3.23Å; E520-M523 PolarHBondContact O-N 3.37Å; M523-L540 HydrophobicContact CB-CB 4.44Å; M523-L540 HydrophobicContact CG-CD2 4.28Å; M523-L540 PolarHBondContact O-N 3.03Å; M523-L540 VanDerWaalsContact O-N 3.12Å; M523-L541 HydrophobicContact CB-CB 4.15Å; M523-L541 HydrophobicContact CB-CD1 4.48Å; M523-L541 HydrophobicContact CE-CD1 4.09Å; M523-L541 PolarHBondContact O-N 3.32Å; M523-V544 HydrophobicContact CE-CG2 4.27Å; M523-V544 HydrophobicContact SD-CG2 3.66Å; M523-W548 HydrophobicContact CE-CD2 4.15Å; M523-W548 HydrophobicContact CE-CE3 4.23Å; M523-W548 HydrophobicContact CE-CH2 4.49Å; M523-W548 HydrophobicContact CE-CZ2 4.43Å; M523-W548 HydrophobicContact CE-CZ3 4.39Å
524	M	89.8	Confident	85	Confident	116 Å²	116	47.3 Å²	47.3	57%	0.571	26%	0.256	S	S	*	.	H	α-helix	trans	-71.7	-37	164.9	-70.7	178.1	69.5	0	0	111.8	E520 R521 T522 S539 L541	E520-M524 HydrophobicContact CG-SD 4.47Å; E520-M524 WeakPolarHBondContact O-CG 3.24Å; E520-M524 PolarHBondContact O-N 3.45Å; R521-M524 PolarHBondContact O-N 2.98Å; T522-M524 VanDerWaalsContact C-N 3.33Å; T522-M524 PolarHBondContact O-N 2.92Å; M524-S539 WeakPolarHBondContact O-CB 3.46Å; M524-L541 HydrophobicContact CG-CD2 3.79Å
525	G	87.5	Confident	82.9	Confident	22 Å²	22	52.5 Å²	52.5	23%	0.227	30%	0.299	C	S	.	.	H	α-helix	trans	-77.2	-26.7	-177.7	0	0	0	0	0	115.3	K139 R521 T522	K139-G525 WeakPolarHBondContact CE-O 3.02Å; K139-G525 PolarHBondContact NZ-O 2.9Å; R521-G525 PolarHBondContact O-N 2.84Å; T522-G525 CarbonylContact O-C 3.54Å; T522-G525 WeakPolarHBondContact O-CA 3.4Å; T522-G525 PolarHBondContact O-N 3.41Å
526	V	91.1	Very high	80.6	Confident	0 Å²	0	59 Å²	59	0%	0	33%	0.334	C	S	.	.	S	Bend	trans	-92.1	133.6	-178.8	174.1	0	0	0	0	111.2	T522 L540 T609 E612 V613	T522-V526 HydrophobicContact CG2-CG2 4.11Å; T522-V526 WeakPolarHBondContact O-CG2 3.46Å; T522-V526 PolarHBondContact O-N 3.31Å; V526-L540 HydrophobicContact CB-CB 4.37Å; V526-L540 HydrophobicContact CB-CD2 4.45Å; V526-L540 HydrophobicContact CG1-CB 4.36Å; V526-L540 HydrophobicContact CG1-CD2 4.12Å; V526-L540 PolarHBondContact O-N 3.13Å; V526-T609 HydrophobicContact CG1-CG2 3.51Å; V526-E612 HydrophobicContact CG2-CG 4.2Å; V526-V613 HydrophobicContact CB-CG2 4.33Å; V526-V613 HydrophobicContact CG1-CG2 4.13Å; V526-V613 HydrophobicContact CG2-CG2 4.02Å
527	M	87.1	Confident	78.7	Confident	106 Å²	106	61.3 Å²	61.3	52%	0.522	36%	0.356	S	S	.	.	B	Isolated β-bridge	trans	-76.5	144.4	178.1	-68.3	-65.1	-175.4	0	0	112.4	P529 A537	M527-P529 WeakPolarHBondContact O-CD 3.4Å; M527-A537 HydrophobicContact CE-CB 4.32Å; M527-A537 HydrophobicContact SD-CB 4.22Å
528	D	85.7	Confident	77.6	Confident	4 Å²	4	61.7 Å²	61.7	2%	0.021	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-71.1	119.9	170.8	-179.1	-30.1	0	0	0	110.4	A530 K531 A532 G538 R543	D528-A530 PolarHBondContact O-N 3.13Å; D528-A530 VanDerWaalsContact O-N 3.1Å; D528-A530 WeakPolarHBondContact OD1-CB 3.46Å; D528-A530 PolarHBondContact OD1-N 3.14Å; D528-K531 HydrophobicContact CB-CB 4.05Å; D528-K531 HydrophobicContact CB-CD 3.97Å; D528-K531 HydrophobicContact CB-CG 4.04Å; D528-K531 PolarHBondContact O-N 3.17Å; D528-K531 VanDerWaalsContact OD2-CE 3.27Å; D528-K531 WeakPolarHBondContact OD2-CE 3.29Å; D528-K531 IonicContact OD2-NZ 3.37Å; D528-A532 PolarHBondContact O-N 2.68Å; D528-A532 VanDerWaalsContact O-N 3.07Å; D528-G538 VanDerWaalsContact CB-O 3.23Å; D528-G538 WeakPolarHBondContact CB-O 2.96Å; D528-G538 PolarHBondContact N-O 3.45Å; D528-R543 IonicContact OD1-CZ 3.57Å; D528-R543 VanDerWaalsContact OD1-CZ 3.31Å; D528-R543 IonicContact OD1-NE 2.66Å; D528-R543 PolarHBondContact OD1-NE 2.57Å; D528-R543 IonicContact OD1-NH2 3.65Å; D528-R543 PolarHBondContact OD1-NH2 2.9Å; D528-R543 IonicContact OD2-CZ 3.57Å; D528-R543 IonicContact OD2-NE 3.01Å; D528-R543 PolarHBondContact OD2-NE 3.38Å; D528-R543 IonicContact OD2-NH2 3.91Å
529	P	81.3	Confident	77	Confident	19 Å²	19	63.3 Å²	63.3	12%	0.123	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-8.4	-176.1	28.5	-35.6	0	0	0	114.4	M527 N602 L606 T609	M527-P529 WeakPolarHBondContact O-CD 3.4Å; P529-N602 PolarHBondContact O-ND2 2.99Å; P529-L606 HydrophobicContact CG-CD2 3.77Å; P529-L606 HydrophobicContact CG-CG 4.45Å; P529-T609 HydrophobicContact CG-CG2 4.43Å; P529-T609 WeakPolarHBondContact CG-OG1 3.27Å
530	A	75.7	Confident	76.6	Confident	70 Å²	70	63.3 Å²	63.3	58%	0.579	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-16.4	169.3	0	0	0	0	0	113.2	D528	D528-A530 PolarHBondContact O-N 3.13Å; D528-A530 VanDerWaalsContact O-N 3.1Å; D528-A530 WeakPolarHBondContact OD1-CB 3.46Å; D528-A530 PolarHBondContact OD1-N 3.14Å
531	K	69.9	Low	76.2	Confident	68 Å²	68	61.7 Å²	61.7	30%	0.296	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-2.8	-179.4	-56	176.3	-171.6	172.9	0	113.4	D528 Q533 S534 S542	D528-K531 HydrophobicContact CB-CB 4.05Å; D528-K531 HydrophobicContact CB-CD 3.97Å; D528-K531 HydrophobicContact CB-CG 4.04Å; D528-K531 PolarHBondContact O-N 3.17Å; D528-K531 VanDerWaalsContact OD2-CE 3.27Å; D528-K531 WeakPolarHBondContact OD2-CE 3.29Å; D528-K531 IonicContact OD2-NZ 3.37Å; K531-Q533 PolarHBondContact O-N 3.5Å; K531-S534 WeakPolarHBondContact CA-OG 3.29Å; K531-S534 PolarHBondContact O-N 2.92Å; K531-S534 PolarHBondContact O-OG 3.28Å; K531-S542 PolarHBondContact NZ-OG 3.19Å
532	A	60.7	Low	75.8	Confident	72 Å²	72	57.5 Å²	57.5	60%	0.595	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-0.2	176.9	0	0	0	0	0	115.4	D528	D528-A532 PolarHBondContact O-N 2.68Å; D528-A532 VanDerWaalsContact O-N 3.07Å
533	Q	55.2	Low	75.4	Confident	198 Å²	198	58.6 Å²	58.6	93%	0.925	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.7	0.6	176.7	-61.1	179.9	9.1	0	0	113.2	K531	K531-Q533 PolarHBondContact O-N 3.5Å
534	S	56	Low	74.9	Confident	57 Å²	57	59.4 Å²	59.4	40%	0.399	37%	0.369	S	S	.	.	S	Bend	trans	-96.6	151.7	175.6	48.8	0	0	0	0	111.5	K531 D536	K531-S534 WeakPolarHBondContact CA-OG 3.29Å; K531-S534 PolarHBondContact O-N 2.92Å; K531-S534 PolarHBondContact O-OG 3.28Å; S534-D536 PolarHBondContact O-N 2.99Å; S534-D536 PolarHBondContact OG-O 3.46Å; S534-D536 VanDerWaalsContact OG-O 3.1Å
535	A	50.7	Low	74.4	Confident	109 Å²	109	55.6 Å²	55.6	90%	0.901	36%	0.359	S	S	*	.	S	Bend	trans	-58.6	-35.3	176.6	0	0	0	0	0	112.3	A537	A535-A537 PolarHBondContact O-N 3.13Å
536	D	50.4	Low	73.8	Confident	139 Å²	139	62 Å²	62	74%	0.743	39%	0.394	S	S	*	.	S	Bend	trans	-82.7	91.1	168.7	-59.6	-48.2	0	0	0	109.9	S534 G538	S534-D536 PolarHBondContact O-N 2.99Å; S534-D536 PolarHBondContact OG-O 3.46Å; S534-D536 VanDerWaalsContact OG-O 3.1Å; D536-G538 VanDerWaalsContact C-N 3.35Å; D536-G538 PolarHBondContact O-N 2.95Å
537	A	55.5	Low	73.4	Confident	63 Å²	63	65.9 Å²	65.9	52%	0.521	42%	0.415	S	S	.	.			trans	-72.7	84.4	175.9	0	0	0	0	0	111	M527 A535	M527-A537 HydrophobicContact CE-CB 4.32Å; M527-A537 HydrophobicContact SD-CB 4.22Å; A535-A537 PolarHBondContact O-N 3.13Å
538	G	69.6	Low	73.3	Confident	18 Å²	18	61.2 Å²	61.2	19%	0.186	39%	0.391	C	S	.	.			trans	-72.8	137	-179.1	0	0	0	0	0	113.7	D528 D536	D528-G538 VanDerWaalsContact CB-O 3.23Å; D528-G538 WeakPolarHBondContact CB-O 2.96Å; D528-G538 PolarHBondContact N-O 3.45Å; D536-G538 VanDerWaalsContact C-N 3.35Å; D536-G538 PolarHBondContact O-N 2.95Å
539	S	83.6	Confident	73.4	Confident	38 Å²	38	63.5 Å²	63.5	27%	0.266	41%	0.405	S	S	.	.	B	Isolated β-bridge	trans	-74.4	158.9	171.8	62.9	0	0	0	0	112.4	M524 L541 S542	M524-S539 WeakPolarHBondContact O-CB 3.46Å; S539-L541 PolarHBondContact O-N 3.35Å; S539-S542 WeakPolarHBondContact O-CB 3.1Å; S539-S542 PolarHBondContact O-N 3.33Å; S539-S542 VanDerWaalsContact O-N 3.1Å; S539-S542 PolarHBondContact O-OG 3.06Å
540	L	87.3	Confident	73.6	Confident	3 Å²	3	70.8 Å²	70.8	2%	0.016	44%	0.435	C	S	.	.	G	3₁₀ helix	trans	-59.2	-30.7	-179.4	-173.3	62.8	0	0	0	113	V507 M523 V526 S542 R543 F577 T609 V613	V507-L540 HydrophobicContact CG2-CD1 3.83Å; V507-L540 HydrophobicContact CG2-CG 4.29Å; M523-L540 HydrophobicContact CB-CB 4.44Å; M523-L540 HydrophobicContact CG-CD2 4.28Å; M523-L540 PolarHBondContact O-N 3.03Å; M523-L540 VanDerWaalsContact O-N 3.12Å; V526-L540 HydrophobicContact CB-CB 4.37Å; V526-L540 HydrophobicContact CB-CD2 4.45Å; V526-L540 HydrophobicContact CG1-CB 4.36Å; V526-L540 HydrophobicContact CG1-CD2 4.12Å; V526-L540 PolarHBondContact O-N 3.13Å; L540-S542 PolarHBondContact O-N 3.14Å; L540-S542 VanDerWaalsContact O-N 3.09Å; L540-R543 WeakPolarHBondContact O-CB 3.4Å; L540-R543 PolarHBondContact O-N 3.4Å; L540-F577 HydrophobicContact CD1-CE1 3.66Å; L540-F577 HydrophobicContact CD1-CZ 3.83Å; L540-T609 HydrophobicContact CD1-CG2 4.36Å; L540-T609 HydrophobicContact CD2-CG2 4.24Å; L540-V613 HydrophobicContact CD2-CG2 3.48Å; L540-V613 VanDerWaalsContact CD2-CG2 3.48Å
541	L	85.3	Confident	74	Confident	37 Å²	37	69.9 Å²	69.9	19%	0.194	43%	0.427	C	S	.	.	G	3₁₀ helix	trans	-51.5	-32.5	174.9	-174.3	65.1	0	0	0	112.8	M523 M524 S539 R543 V544 G545 W548	M523-L541 HydrophobicContact CB-CB 4.15Å; M523-L541 HydrophobicContact CB-CD1 4.48Å; M523-L541 HydrophobicContact CE-CD1 4.09Å; M523-L541 PolarHBondContact O-N 3.32Å; M524-L541 HydrophobicContact CG-CD2 3.79Å; S539-L541 PolarHBondContact O-N 3.35Å; L541-R543 PolarHBondContact O-N 3.21Å; L541-V544 PolarHBondContact O-N 2.63Å; L541-G545 PolarHBondContact O-N 2.69Å; L541-W548 HydrophobicContact CD1-CG 4.31Å
542	S	84.7	Confident	74.9	Confident	62 Å²	62	67.7 Å²	67.7	43%	0.434	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-63.7	-8.6	178	68.3	0	0	0	0	115	K531 S539 L540	K531-S542 PolarHBondContact NZ-OG 3.19Å; S539-S542 WeakPolarHBondContact O-CB 3.1Å; S539-S542 PolarHBondContact O-N 3.33Å; S539-S542 VanDerWaalsContact O-N 3.1Å; S539-S542 PolarHBondContact O-OG 3.06Å; L540-S542 PolarHBondContact O-N 3.14Å; L540-S542 VanDerWaalsContact O-N 3.09Å
543	R	84.8	Confident	76.2	Confident	25 Å²	25	67 Å²	67	9%	0.094	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	-96.6	-10.6	173.7	-62.1	-170.3	174.3	-147.4	-5.9	115	W504 V507 D528 L540 L541	W504-R543 PolarHBondContact O-NH1 3.24Å; V507-R543 HydrophobicContact CG2-CB 3.99Å; D528-R543 IonicContact OD1-CZ 3.57Å; D528-R543 VanDerWaalsContact OD1-CZ 3.31Å; D528-R543 IonicContact OD1-NE 2.66Å; D528-R543 PolarHBondContact OD1-NE 2.57Å; D528-R543 IonicContact OD1-NH2 3.65Å; D528-R543 PolarHBondContact OD1-NH2 2.9Å; D528-R543 IonicContact OD2-CZ 3.57Å; D528-R543 IonicContact OD2-NE 3.01Å; D528-R543 PolarHBondContact OD2-NE 3.38Å; D528-R543 IonicContact OD2-NH2 3.91Å; L540-R543 WeakPolarHBondContact O-CB 3.4Å; L540-R543 PolarHBondContact O-N 3.4Å; L541-R543 PolarHBondContact O-N 3.21Å
544	V	81.1	Confident	77.7	Confident	22 Å²	22	62.2 Å²	62.2	13%	0.133	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102	-31.7	179.9	-143.8	0	0	0	0	111.1	V507 I509 M523 L541 W548	V507-V544 HydrophobicContact CB-CG2 4.28Å; I509-V544 HydrophobicContact CD1-CG1 3.95Å; I509-V544 HydrophobicContact CD1-CG2 4.39Å; M523-V544 HydrophobicContact CE-CG2 4.27Å; M523-V544 HydrophobicContact SD-CG2 3.66Å; L541-V544 PolarHBondContact O-N 2.63Å; V544-W548 HydrophobicContact CB-CB 3.8Å; V544-W548 HydrophobicContact CG1-CB 3.71Å
545	G	79.2	Confident	79.3	Confident	35 Å²	35	60 Å²	60	36%	0.361	38%	0.377	S	S	.	.			trans	107.5	177	178.3	0	0	0	0	0	113.2	L541	L541-G545 PolarHBondContact O-N 2.69Å
546	T	74.6	Confident	80.8	Confident	156 Å²	156	55.8 Å²	55.8	96%	0.957	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-17.1	-176.5	51	0	0	0	0	114.2
547	D	82.5	Confident	82.5	Confident	83 Å²	83	49.2 Å²	49.2	44%	0.444	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.4	54.7	179.2	-164.2	-16	0	0	0	108.2	V549 K550	D547-V549 VanDerWaalsContact C-N 3.26Å; D547-V549 PolarHBondContact O-N 3.41Å; D547-K550 PolarHBondContact O-N 3.37Å; D547-K550 WeakPolarHBondContact OD1-CD 3.22Å; D547-K550 WeakPolarHBondContact OD1-CE 3.37Å; D547-K550 WeakPolarHBondContact OD1-CG 3.34Å; D547-K550 IonicContact OD1-NZ 2.96Å; D547-K550 WeakPolarHBondContact OD2-CD 3.37Å; D547-K550 WeakPolarHBondContact OD2-CE 3.33Å; D547-K550 IonicContact OD2-NZ 2.71Å; D547-K550 PolarHBondContact OD2-NZ 3Å
548	W	86.2	Confident	83.5	Confident	7 Å²	7	48.3 Å²	48.3	3%	0.027	31%	0.307	C	S	.	.			trans	-69.5	-24	-166.7	75.3	-92.3	0	0	0	113.1	I509 Y516 L519 E520 M523 L541 V544 K550 A551 V552	I509-W548 HydrophobicContact CD1-CE3 3.81Å; I509-W548 HydrophobicContact CD1-CZ3 3.85Å; I509-W548 HydrophobicContact CG2-CZ3 4.25Å; Y516-W548 AromaticContact CD1-CH2 3.94Å; Y516-W548 HydrophobicContact CD1-CH2 3.94Å; Y516-W548 HydrophobicContact CD1-CZ3 4.41Å; Y516-W548 HydrophobicContact CG-CH2 4.02Å; Y516-W548 WeakPolarHBondContact O-CZ2 3.2Å; L519-W548 HydrophobicContact CB-CH2 4.09Å; E520-W548 HydrophobicContact CB-CZ2 4Å; E520-W548 PolarHBondContact OE1-NE1 3.02Å; M523-W548 HydrophobicContact CE-CD2 4.15Å; M523-W548 HydrophobicContact CE-CE3 4.23Å; M523-W548 HydrophobicContact CE-CH2 4.49Å; M523-W548 HydrophobicContact CE-CZ2 4.43Å; M523-W548 HydrophobicContact CE-CZ3 4.39Å; L541-W548 HydrophobicContact CD1-CG 4.31Å; V544-W548 HydrophobicContact CB-CB 3.8Å; V544-W548 HydrophobicContact CG1-CB 3.71Å; W548-K550 VanDerWaalsContact C-N 3.32Å; W548-K550 PolarHBondContact O-N 3.5Å; W548-A551 CarbonylContact O-C 3.57Å; W548-A551 WeakPolarHBondContact O-CA 3.41Å; W548-A551 WeakPolarHBondContact O-CB 3.48Å; W548-A551 PolarHBondContact O-N 3.39Å; W548-V552 HydrophobicContact CE3-CG2 3.84Å; W548-V552 HydrophobicContact CZ3-CG2 3.55Å; W548-V552 PolarHBondContact O-N 2.93Å
549	V	86.4	Confident	84.2	Confident	52 Å²	52	50.1 Å²	50.1	32%	0.315	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-60.7	-42	176.5	179.4	0	0	0	0	110.6	Y516 D547 A551 V552	Y516-V549 HydrophobicContact CD2-CG1 4.04Å; Y516-V549 HydrophobicContact CD2-CG2 4.41Å; Y516-V549 HydrophobicContact CE2-CG1 3.73Å; D547-V549 VanDerWaalsContact C-N 3.26Å; D547-V549 PolarHBondContact O-N 3.41Å; V549-A551 PolarHBondContact O-N 3.19Å; V549-V552 WeakPolarHBondContact O-CB 3.47Å; V549-V552 WeakPolarHBondContact O-CG2 3.36Å; V549-V552 PolarHBondContact O-N 3.47Å; V549-V552 VanDerWaalsContact O-N 3.08Å
550	K	85.4	Confident	84.6	Confident	173 Å²	173	48.6 Å²	48.6	75%	0.752	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-71.9	-5.8	173.8	-63.6	177.3	-163.3	149.4	0	113.9	D547 W548	D547-K550 PolarHBondContact O-N 3.37Å; D547-K550 WeakPolarHBondContact OD1-CD 3.22Å; D547-K550 WeakPolarHBondContact OD1-CE 3.37Å; D547-K550 WeakPolarHBondContact OD1-CG 3.34Å; D547-K550 IonicContact OD1-NZ 2.96Å; D547-K550 WeakPolarHBondContact OD2-CD 3.37Å; D547-K550 WeakPolarHBondContact OD2-CE 3.33Å; D547-K550 IonicContact OD2-NZ 2.71Å; D547-K550 PolarHBondContact OD2-NZ 3Å; W548-K550 VanDerWaalsContact C-N 3.32Å; W548-K550 PolarHBondContact O-N 3.5Å
551	A	85.3	Confident	85	Confident	50 Å²	50	48.4 Å²	48.4	41%	0.413	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-103.4	1	171.9	0	0	0	0	0	113	W548 V549 V553	W548-A551 CarbonylContact O-C 3.57Å; W548-A551 WeakPolarHBondContact O-CA 3.41Å; W548-A551 WeakPolarHBondContact O-CB 3.48Å; W548-A551 PolarHBondContact O-N 3.39Å; V549-A551 PolarHBondContact O-N 3.19Å; A551-V553 PolarHBondContact O-N 3.31Å
552	V	88.5	Confident	85.5	Confident	23 Å²	23	46.8 Å²	46.8	14%	0.139	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-64.8	128.7	168.4	176.4	0	0	0	0	108.5	I509 Y516 W548 V549	I509-V552 WeakPolarHBondContact O-CA 3.23Å; Y516-V552 HydrophobicContact CE1-CG1 4.2Å; Y516-V552 HydrophobicContact CE1-CG2 4.06Å; W548-V552 HydrophobicContact CE3-CG2 3.84Å; W548-V552 HydrophobicContact CZ3-CG2 3.55Å; W548-V552 PolarHBondContact O-N 2.93Å; V549-V552 WeakPolarHBondContact O-CB 3.47Å; V549-V552 WeakPolarHBondContact O-CG2 3.36Å; V549-V552 PolarHBondContact O-N 3.47Å; V549-V552 VanDerWaalsContact O-N 3.08Å
553	V	88	Confident	86	Confident	58 Å²	58	43.8 Å²	43.8	35%	0.352	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-96.4	128.7	176.9	179.8	0	0	0	0	107.8	K508 I509 S510 A551	K508-V553 HydrophobicContact CG-CG2 4.24Å; I509-V553 PolarHBondContact O-N 2.94Å; S510-V553 WeakPolarHBondContact CA-O 3.48Å; S510-V553 WeakPolarHBondContact CB-O 3.4Å; S510-V553 PolarHBondContact OG-O 3.5Å; A551-V553 PolarHBondContact O-N 3.31Å
554	P	86.8	Confident	86.6	Confident	96 Å²	96	42.6 Å²	42.6	62%	0.623	27%	0.265	S	S	*	.	P	Polyproline II helix	trans	-52.9	141.9	178.3	-28.7	35.6	0	0	0	113
555	L	88.6	Confident	87.3	Confident	11 Å²	11	41.6 Å²	41.6	6%	0.058	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-64.6	142	167.6	-75.1	167.7	0	0	0	109.4	H559 A561 F562 L565 A572	L555-H559 HydrophobicContact CD2-CB 4.17Å; L555-A561 HydrophobicContact CD1-CB 4.07Å; L555-A561 HydrophobicContact CD2-CB 3.74Å; L555-F562 VanDerWaalsContact C-CD2 3.48Å; L555-F562 HydrophobicContact CB-CB 4.49Å; L555-F562 HydrophobicContact CB-CD2 4.03Å; L555-F562 WeakPolarHBondContact O-CD2 3.4Å; L555-F562 WeakPolarHBondContact O-CE2 3.33Å; L555-L565 HydrophobicContact CD1-CD2 3.78Å; L555-A572 HydrophobicContact CD1-CB 4.1Å
556	G	84.1	Confident	88.1	Confident	21 Å²	21	40 Å²	40	22%	0.216	24%	0.242	C	C	.	.			trans	-147.3	173.3	-178.6	0	0	0	0	0	112.2	G558 H559 F562	G556-G558 PolarHBondContact O-N 3.34Å; G556-H559 PolarHBondContact O-N 2.93Å; G556-F562 VanDerWaalsContact O-CB 3.3Å; G556-F562 WeakPolarHBondContact O-CB 3.06Å
557	L	84.4	Confident	89	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.5	-27.5	-167.7	-66.6	170	0	0	0	116	T273 L312 T314 H559 F562 L717	T273-L557 HydrophobicContact CG2-CB 4.41Å; L312-L557 HydrophobicContact CD1-CD1 3.89Å; L312-L557 HydrophobicContact CG-CD1 4.37Å; T314-L557 HydrophobicContact CG2-CD2 4.15Å; L557-H559 VanDerWaalsContact C-N 3.32Å; L557-H559 PolarHBondContact O-N 2.98Å; L557-F562 HydrophobicContact CD2-CD1 4.1Å; L557-F562 HydrophobicContact CD2-CE1 3.62Å; L557-F562 HydrophobicContact CD2-CZ 4.48Å; L557-F562 HydrophobicContact CG-CE1 4.29Å; L557-L717 HydrophobicContact CD2-CD1 3.94Å
558	G	76.4	Confident	89.6	Confident	45 Å²	45	29 Å²	29	46%	0.464	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	6.8	179.4	0	0	0	0	0	116.2	G556	G556-G558 PolarHBondContact O-N 3.34Å
559	H	85.5	Confident	90	Very high	55 Å²	55	28.6 Å²	28.6	26%	0.255	18%	0.176	S	C	.	.	S	Bend	trans	-121.2	130.9	-179.2	-69.4	-78	0	0	0	111.5	L555 G556 L557 A561 F562	L555-H559 HydrophobicContact CD2-CB 4.17Å; G556-H559 PolarHBondContact O-N 2.93Å; L557-H559 VanDerWaalsContact C-N 3.32Å; L557-H559 PolarHBondContact O-N 2.98Å; H559-A561 PolarHBondContact O-N 3.24Å; H559-A561 VanDerWaalsContact O-N 3.13Å; H559-F562 WeakPolarHBondContact O-CB 3.43Å; H559-F562 PolarHBondContact O-N 2.93Å
560	A	91.7	Very high	90.6	Very high	6 Å²	6	26.2 Å²	26.2	5%	0.05	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-18.1	178.3	0	0	0	0	0	113.9	T473 D498 F562 P563 F564	T473-A560 HydrophobicContact CG2-CB 4.15Å; D498-A560 WeakPolarHBondContact OD2-CB 3.46Å; A560-F562 VanDerWaalsContact C-N 3.28Å; A560-F562 PolarHBondContact O-N 3.46Å; A560-P563 WeakPolarHBondContact O-CD 3.47Å; A560-F564 WeakPolarHBondContact O-CD2 3.24Å
561	A	96.1	Very high	91.1	Very high	0 Å²	0	18 Å²	18	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-67.8	-21.7	168	0	0	0	0	0	114.4	Y494 N496 L555 H559 L565 A572	Y494-A561 HydrophobicContact CD1-CB 3.9Å; Y494-A561 HydrophobicContact CE1-CB 3.93Å; N496-A561 HydrophobicContact CB-CB 3.92Å; L555-A561 HydrophobicContact CD1-CB 4.07Å; L555-A561 HydrophobicContact CD2-CB 3.74Å; H559-A561 PolarHBondContact O-N 3.24Å; H559-A561 VanDerWaalsContact O-N 3.13Å; A561-L565 PolarHBondContact O-N 3.44Å; A561-A572 HydrophobicContact CB-CB 3.89Å; A561-A572 VanDerWaalsContact O-CB 3.26Å; A561-A572 WeakPolarHBondContact O-CB 3.26Å
562	F	95.9	Very high	91.7	Very high	2 Å²	2	15.7 Å²	15.7	1%	0.009	11%	0.106	C	C	.	.	H	α-helix	trans	-65.8	-51.4	-176.3	-178.2	-104.7	0	0	0	114	T314 L555 G556 L557 H559 A560 F564 L565 A566 L717 F722	T314-F562 HydrophobicContact CG2-CD1 4.34Å; L555-F562 VanDerWaalsContact C-CD2 3.48Å; L555-F562 HydrophobicContact CB-CB 4.49Å; L555-F562 HydrophobicContact CB-CD2 4.03Å; L555-F562 WeakPolarHBondContact O-CD2 3.4Å; L555-F562 WeakPolarHBondContact O-CE2 3.33Å; G556-F562 VanDerWaalsContact O-CB 3.3Å; G556-F562 WeakPolarHBondContact O-CB 3.06Å; L557-F562 HydrophobicContact CD2-CD1 4.1Å; L557-F562 HydrophobicContact CD2-CE1 3.62Å; L557-F562 HydrophobicContact CD2-CZ 4.48Å; L557-F562 HydrophobicContact CG-CE1 4.29Å; H559-F562 WeakPolarHBondContact O-CB 3.43Å; H559-F562 PolarHBondContact O-N 2.93Å; A560-F562 VanDerWaalsContact C-N 3.28Å; A560-F562 PolarHBondContact O-N 3.46Å; F562-F564 VanDerWaalsContact C-N 3.31Å; F562-F564 PolarHBondContact O-N 3.06Å; F562-L565 PolarHBondContact O-N 3.32Å; F562-A566 HydrophobicContact CD1-CB 4.38Å; F562-A566 HydrophobicContact CD2-CB 4.21Å; F562-A566 HydrophobicContact CE1-CB 4Å; F562-A566 HydrophobicContact CE2-CB 3.85Å; F562-A566 HydrophobicContact CG-CB 4.48Å; F562-A566 HydrophobicContact CZ-CB 3.72Å; F562-A566 WeakPolarHBondContact O-CB 3.27Å; F562-A566 PolarHBondContact O-N 3.47Å; F562-L717 HydrophobicContact CD1-CD2 4.32Å; F562-L717 HydrophobicContact CE1-CD1 3.71Å; F562-L717 HydrophobicContact CE1-CD2 3.57Å; F562-L717 HydrophobicContact CE1-CG 4.23Å; F562-L717 HydrophobicContact CZ-CD1 4.1Å; F562-L717 HydrophobicContact CZ-CD2 4.23Å; F562-F722 WeakPolarHBondContact CE2-O 3.41Å; F562-F722 WeakPolarHBondContact CZ-O 3.4Å
563	P	95.5	Very high	92.2	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-68.1	-27.6	179.4	27.6	-36.7	0	0	0	113.3	T314 L480 A560 L565 Y567 S568	T314-P563 HydrophobicContact CG2-CB 4.45Å; T314-P563 HydrophobicContact CG2-CG 4.45Å; L480-P563 HydrophobicContact CD1-CB 3.74Å; L480-P563 HydrophobicContact CD1-CG 4.05Å; A560-P563 WeakPolarHBondContact O-CD 3.47Å; P563-L565 VanDerWaalsContact C-N 3.31Å; P563-L565 PolarHBondContact O-N 2.91Å; P563-Y567 WeakPolarHBondContact O-CB 3.19Å; P563-Y567 PolarHBondContact O-N 2.91Å; P563-S568 PolarHBondContact O-N 3.36Å; P563-S568 VanDerWaalsContact O-N 3.1Å
564	F	96.8	Very high	92.6	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-57.3	-45.7	170.8	-86.1	-98.4	0	0	0	111.3	V417 W466 A476 W479 L480 Y494 A560 F562 S568 G569 I570 A572	V417-F564 HydrophobicContact CB-CE1 4.43Å; V417-F564 HydrophobicContact CG1-CE1 4.43Å; V417-F564 HydrophobicContact CG1-CZ 4.33Å; W466-F564 HydrophobicContact CH2-CZ 4.34Å; W466-F564 HydrophobicContact CZ2-CE2 4.06Å; W466-F564 AromaticContact CZ2-CZ 3.82Å; W466-F564 HydrophobicContact CZ2-CZ 3.82Å; A476-F564 HydrophobicContact CB-CE2 4.46Å; W479-F564 HydrophobicContact CE3-CZ 4.1Å; W479-F564 AromaticContact CZ3-CE1 3.78Å; W479-F564 HydrophobicContact CZ3-CE1 3.78Å; W479-F564 AromaticContact CZ3-CZ 3.69Å; W479-F564 HydrophobicContact CZ3-CZ 3.69Å; L480-F564 HydrophobicContact CD1-CD2 3.82Å; L480-F564 HydrophobicContact CD1-CE2 4.1Å; L480-F564 HydrophobicContact CD1-CG 4.16Å; L480-F564 HydrophobicContact CD2-CD1 3.78Å; L480-F564 HydrophobicContact CD2-CD2 4.11Å; L480-F564 HydrophobicContact CD2-CE1 3.65Å; L480-F564 HydrophobicContact CD2-CE2 3.96Å; L480-F564 HydrophobicContact CD2-CG 4.02Å; L480-F564 HydrophobicContact CD2-CZ 3.73Å; L480-F564 HydrophobicContact CG-CD2 4.39Å; L480-F564 HydrophobicContact CG-CE2 4.25Å; L480-F564 HydrophobicContact CG-CZ 4.42Å; Y494-F564 VanDerWaalsContact CB-CD1 3.45Å; Y494-F564 HydrophobicContact CD1-CB 4.32Å; Y494-F564 HydrophobicContact CD1-CD1 4.49Å; Y494-F564 AromaticContact CD1-CD2 3.94Å; Y494-F564 HydrophobicContact CD1-CD2 3.94Å; Y494-F564 HydrophobicContact CD1-CE2 4.39Å; Y494-F564 HydrophobicContact CD1-CG 4.01Å; Y494-F564 AromaticContact CD2-CD1 3.7Å; Y494-F564 HydrophobicContact CD2-CD1 3.7Å; Y494-F564 AromaticContact CD2-CD2 3.79Å; Y494-F564 HydrophobicContact CD2-CD2 3.79Å; Y494-F564 AromaticContact CD2-CE1 3.38Å; Y494-F564 HydrophobicContact CD2-CE1 3.38Å; Y494-F564 AromaticContact CD2-CE2 3.51Å; Y494-F564 HydrophobicContact CD2-CE2 3.51Å; Y494-F564 AromaticContact CD2-CG 3.89Å; Y494-F564 HydrophobicContact CD2-CG 3.89Å; Y494-F564 AromaticContact CD2-CZ 3.29Å; Y494-F564 HydrophobicContact CD2-CZ 3.29Å; Y494-F564 HydrophobicContact CE1-CD2 4.11Å; Y494-F564 HydrophobicContact CE1-CE2 4.32Å; Y494-F564 AromaticContact CE2-CD2 3.99Å; Y494-F564 HydrophobicContact CE2-CD2 3.99Å; Y494-F564 HydrophobicContact CE2-CE1 4.11Å; Y494-F564 AromaticContact CE2-CE2 3.45Å; Y494-F564 HydrophobicContact CE2-CE2 3.45Å; Y494-F564 VanDerWaalsContact CE2-CE2 3.45Å; Y494-F564 AromaticContact CE2-CZ 3.52Å; Y494-F564 HydrophobicContact CE2-CZ 3.52Å; Y494-F564 HydrophobicContact CG-CB 4.19Å; Y494-F564 AromaticContact CG-CD1 3.64Å; Y494-F564 HydrophobicContact CG-CD1 3.64Å; Y494-F564 AromaticContact CG-CD2 3.77Å; Y494-F564 HydrophobicContact CG-CD2 3.77Å; Y494-F564 AromaticContact CG-CE1 3.85Å; Y494-F564 HydrophobicContact CG-CE1 3.85Å; Y494-F564 HydrophobicContact CG-CE2 4Å; Y494-F564 AromaticContact CG-CG 3.59Å; Y494-F564 HydrophobicContact CG-CG 3.59Å; Y494-F564 HydrophobicContact CG-CZ 4.05Å; Y494-F564 AromaticContact CZ-CE2 3.89Å; A560-F564 WeakPolarHBondContact O-CD2 3.24Å; F562-F564 VanDerWaalsContact C-N 3.31Å; F562-F564 PolarHBondContact O-N 3.06Å; F564-S568 CarbonylContact O-C 3.54Å; F564-S568 WeakPolarHBondContact O-CB 3.23Å; F564-S568 PolarHBondContact O-N 2.92Å; F564-G569 PolarHBondContact O-N 3.4Å; F564-G569 VanDerWaalsContact O-N 3.08Å; F564-I570 HydrophobicContact CB-CB 4.46Å; F564-I570 HydrophobicContact CD1-CB 4.36Å; F564-I570 HydrophobicContact CD1-CD1 3.83Å; F564-I570 HydrophobicContact CD1-CG2 4.28Å; F564-I570 HydrophobicContact CE1-CD1 4.41Å; F564-I570 PolarHBondContact O-N 3.23Å; F564-A572 HydrophobicContact CB-CB 4.25Å
565	L	96.1	Very high	93	Very high	1 Å²	1	8.3 Å²	8.3	1%	0.005	6%	0.059	C	C	.	.	H	α-helix	trans	-78.4	-55.7	178.3	-175.8	56	0	0	0	112.3	L555 A561 F562 P563 G569 I570 A572 E702 H719 F722	L555-L565 HydrophobicContact CD1-CD2 3.78Å; A561-L565 PolarHBondContact O-N 3.44Å; F562-L565 PolarHBondContact O-N 3.32Å; P563-L565 VanDerWaalsContact C-N 3.31Å; P563-L565 PolarHBondContact O-N 2.91Å; L565-G569 WeakPolarHBondContact O-CA 3.35Å; L565-G569 PolarHBondContact O-N 3.29Å; L565-G569 VanDerWaalsContact O-N 3.12Å; L565-I570 WeakPolarHBondContact CA-O 3.44Å; L565-A572 HydrophobicContact CB-CB 4.06Å; L565-E702 HydrophobicContact CD1-CG 3.74Å; L565-H719 PolarHBondContact O-CD2 3.37Å; L565-F722 HydrophobicContact CD1-CD2 4.17Å; L565-F722 HydrophobicContact CD2-CB 4.31Å; L565-F722 HydrophobicContact CD2-CD2 3.45Å; L565-F722 VanDerWaalsContact CD2-CD2 3.45Å; L565-F722 HydrophobicContact CD2-CE2 3.91Å; L565-F722 HydrophobicContact CD2-CG 3.87Å; L565-F722 HydrophobicContact CG-CB 4.49Å; L565-F722 HydrophobicContact CG-CD2 3.78Å; L565-F722 HydrophobicContact CG-CE2 4.48Å; L565-F722 HydrophobicContact CG-CG 4.38Å
566	A	95.3	Very high	93.3	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-79.1	-25.2	-167.1	0	0	0	0	0	115.3	F562 L717 R718 H719	F562-A566 HydrophobicContact CD1-CB 4.38Å; F562-A566 HydrophobicContact CD2-CB 4.21Å; F562-A566 HydrophobicContact CE1-CB 4Å; F562-A566 HydrophobicContact CE2-CB 3.85Å; F562-A566 HydrophobicContact CG-CB 4.48Å; F562-A566 HydrophobicContact CZ-CB 3.72Å; F562-A566 WeakPolarHBondContact O-CB 3.27Å; F562-A566 PolarHBondContact O-N 3.47Å; A566-L717 HydrophobicContact CB-CD2 3.93Å; A566-L717 CarbonylContact O-C 3.56Å; A566-L717 WeakPolarHBondContact O-CA 3.38Å; A566-R718 PolarHBondContact O-N 2.8Å; A566-H719 PolarHBondContact O-N 2.98Å
567	Y	93.8	Very high	93.8	Very high	6 Å²	6	7.4 Å²	7.4	2%	0.024	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-43	176.6	171.5	-88.5	0	0	0	112.3	L480 E481 S484 P563 L706 P712 P716	L480-Y567 HydrophobicContact CB-CD1 4.27Å; L480-Y567 HydrophobicContact CB-CE1 4.36Å; E481-Y567 HydrophobicContact CG-CE1 4.01Å; E481-Y567 HydrophobicContact CG-CE2 4.39Å; S484-Y567 VanDerWaalsContact CB-OH 3.24Å; S484-Y567 WeakPolarHBondContact CB-OH 3.35Å; P563-Y567 WeakPolarHBondContact O-CB 3.19Å; P563-Y567 PolarHBondContact O-N 2.91Å; Y567-L706 WeakPolarHBondContact O-CD1 3.39Å; Y567-P712 HydrophobicContact CE2-CB 3.96Å; Y567-P716 HydrophobicContact CD2-CB 3.64Å; Y567-P716 VanDerWaalsContact CD2-O 3.31Å; Y567-P716 WeakPolarHBondContact CD2-O 3.47Å; Y567-P716 HydrophobicContact CE2-CB 4.08Å
568	S	94.6	Very high	94.2	Very high	2 Å²	2	10 Å²	10	1%	0.014	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-12.4	-175.1	-56.9	0	0	0	0	115.8	L480 P563 F564	L480-S568 WeakPolarHBondContact CD2-OG 3.46Å; P563-S568 PolarHBondContact O-N 3.36Å; P563-S568 VanDerWaalsContact O-N 3.1Å; F564-S568 CarbonylContact O-C 3.54Å; F564-S568 WeakPolarHBondContact O-CB 3.23Å; F564-S568 PolarHBondContact O-N 2.92Å
569	G	95.7	Very high	94.9	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.044	C	C	.	.			trans	65.4	42.5	179.9	0	0	0	0	0	112.8	F564 L565 E702 Y703	F564-G569 PolarHBondContact O-N 3.4Å; F564-G569 VanDerWaalsContact O-N 3.08Å; L565-G569 WeakPolarHBondContact O-CA 3.35Å; L565-G569 PolarHBondContact O-N 3.29Å; L565-G569 VanDerWaalsContact O-N 3.12Å; G569-E702 WeakPolarHBondContact O-CB 3.27Å; G569-E702 WeakPolarHBondContact O-CG 3.43Å; G569-Y703 PolarHBondContact O-N 3.45Å
570	I	97.5	Very high	94.9	Very high	1 Å²	1	13 Å²	13	1%	0.005	6%	0.061	C	C	.	.			trans	-112.8	128.1	179.1	-61.2	161.6	0	0	0	108.4	L480 L487 A491 F564 L565 A572	L480-I570 HydrophobicContact CD2-CD1 4.44Å; L487-I570 HydrophobicContact CB-CD1 4.41Å; L487-I570 HydrophobicContact CD2-CD1 3.66Å; L487-I570 HydrophobicContact CG-CD1 3.75Å; A491-I570 HydrophobicContact CB-CD1 3.87Å; A491-I570 HydrophobicContact CB-CG1 4.35Å; A491-I570 HydrophobicContact CB-CG2 4.3Å; F564-I570 HydrophobicContact CB-CB 4.46Å; F564-I570 HydrophobicContact CD1-CB 4.36Å; F564-I570 HydrophobicContact CD1-CD1 3.83Å; F564-I570 HydrophobicContact CD1-CG2 4.28Å; F564-I570 HydrophobicContact CE1-CD1 4.41Å; F564-I570 PolarHBondContact O-N 3.23Å; L565-I570 WeakPolarHBondContact CA-O 3.44Å; I570-A572 PolarHBondContact O-N 2.9Å
571	P	97.8	Very high	94.4	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.013	9%	0.09	C	C	.	.			trans	-55.4	113	177.7	-25.1	31.4	0	0	0	111.8	F492 T493 Y494 M514 L515 L629 E702	F492-P571 WeakPolarHBondContact O-CD 3.09Å; F492-P571 WeakPolarHBondContact O-CG 3.36Å; T493-P571 CarbonylContact C-O 3.57Å; T493-P571 WeakPolarHBondContact CA-O 3.49Å; Y494-P571 PolarHBondContact N-O 2.8Å; M514-P571 HydrophobicContact SD-CG 4.38Å; L515-P571 HydrophobicContact CD1-CB 4.16Å; L515-P571 HydrophobicContact CG-CB 4.33Å; P571-L629 HydrophobicContact CG-CD1 4.43Å; P571-E702 WeakPolarHBondContact CA-OE2 3.33Å; P571-E702 WeakPolarHBondContact CB-OE2 3.49Å; P571-E702 HydrophobicContact CG-CB 3.97Å; P571-E702 HydrophobicContact CG-CG 3.99Å; P571-E702 VanDerWaalsContact CG-OE2 3.31Å; P571-E702 WeakPolarHBondContact CG-OE2 3.28Å
572	A	97.8	Very high	93.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	147.2	-175	0	0	0	0	0	111.6	Y494 A511 S512 L555 A561 F564 L565 I570	Y494-A572 HydrophobicContact CD1-CB 4.38Å; Y494-A572 CarbonylContact O-C 3.52Å; Y494-A572 WeakPolarHBondContact O-CA 3.32Å; A511-A572 CarbonylContact C-O 3.57Å; A511-A572 VanDerWaalsContact CA-O 3.24Å; A511-A572 WeakPolarHBondContact CA-O 3.5Å; S512-A572 PolarHBondContact N-O 3.38Å; L555-A572 HydrophobicContact CD1-CB 4.1Å; A561-A572 HydrophobicContact CB-CB 3.89Å; A561-A572 VanDerWaalsContact O-CB 3.26Å; A561-A572 WeakPolarHBondContact O-CB 3.26Å; F564-A572 HydrophobicContact CB-CB 4.25Å; L565-A572 HydrophobicContact CB-CB 4.06Å; I570-A572 PolarHBondContact O-N 2.9Å
573	V	97.6	Very high	93.5	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.006	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	136	169.9	54.4	0	0	0	0	111.6	Y494 I495 N496 A511 L515 L519 F575	Y494-V573 PolarHBondContact O-N 3.47Å; I495-V573 HydrophobicContact CB-CG1 4.42Å; I495-V573 HydrophobicContact CG1-CG1 4.17Å; I495-V573 HydrophobicContact CG2-CG1 4.39Å; N496-V573 VanDerWaalsContact CB-O 3.29Å; N496-V573 WeakPolarHBondContact CB-O 3.49Å; N496-V573 PolarHBondContact N-O 2.89Å; A511-V573 HydrophobicContact CB-CB 3.95Å; A511-V573 HydrophobicContact CB-CG2 3.92Å; L515-V573 HydrophobicContact CD1-CB 3.86Å; L515-V573 HydrophobicContact CD1-CG1 3.98Å; L519-V573 HydrophobicContact CD1-CG2 4.01Å; L519-V573 HydrophobicContact CD2-CG2 4.01Å; V573-F575 HydrophobicContact CG2-CD1 4.21Å
574	S	96.6	Very high	93.4	Very high	8 Å²	8	25.9 Å²	25.9	6%	0.056	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	137.4	162.1	-156.5	0	0	0	0	108.3	N496 S510	N496-S574 PolarHBondContact ND2-OG 2.99Å; S510-S574 PolarHBondContact N-O 3.3Å; S510-S574 PolarHBondContact O-N 3.08Å
575	F	95.1	Very high	93.2	Very high	14 Å²	14	27.1 Å²	27.1	6%	0.061	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	157.2	176.4	67.3	-88.7	0	0	0	110.3	I495 K508 V573 A610 V613 A614 I617	I495-F575 HydrophobicContact CG2-CE1 4.48Å; K508-F575 CarbonylContact O-C 3.51Å; K508-F575 VanDerWaalsContact O-CA 3.27Å; K508-F575 WeakPolarHBondContact O-CA 3.24Å; V573-F575 HydrophobicContact CG2-CD1 4.21Å; F575-A610 HydrophobicContact CE2-CB 4.14Å; F575-A610 WeakPolarHBondContact CZ-O 3.5Å; F575-V613 HydrophobicContact CD1-CG1 4.26Å; F575-V613 HydrophobicContact CD2-CG1 4.08Å; F575-V613 HydrophobicContact CE1-CG1 3.85Å; F575-V613 HydrophobicContact CE2-CB 3.76Å; F575-V613 HydrophobicContact CE2-CG1 3.65Å; F575-V613 HydrophobicContact CG-CG1 4.38Å; F575-V613 HydrophobicContact CZ-CB 3.75Å; F575-V613 HydrophobicContact CZ-CG1 3.53Å; F575-A614 HydrophobicContact CE1-CB 4.14Å; F575-A614 HydrophobicContact CZ-CB 3.88Å; F575-I617 HydrophobicContact CE1-CD1 4.33Å
576	G	94.6	Very high	93.1	Very high	9 Å²	9	28.3 Å²	28.3	9%	0.093	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.2	161.6	177.4	0	0	0	0	0	114.5	A500 V507 K508	A500-G576 CarbonylContact O-C 3.44Å; A500-G576 WeakPolarHBondContact O-CA 3.27Å; V507-G576 CarbonylContact C-O 3.6Å; V507-G576 WeakPolarHBondContact CA-O 3.34Å; K508-G576 PolarHBondContact N-O 3.06Å; K508-G576 PolarHBondContact O-N 3.45Å
577	F	95.5	Very high	93	Very high	3 Å²	3	30.7 Å²	30.7	1%	0.013	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	134.1	176.1	-65.7	-87	0	0	0	111.1	A500 V501 L502 G503 H506 V507 L540 L606 T609 A610	A500-F577 PolarHBondContact O-N 2.93Å; V501-F577 HydrophobicContact CG1-CB 4.45Å; V501-F577 HydrophobicContact CG2-CD2 4.14Å; L502-F577 CarbonylContact C-O 3.59Å; L502-F577 PolarHBondContact N-O 2.88Å; G503-F577 PolarHBondContact N-O 2.89Å; G503-F577 VanDerWaalsContact O-CB 3.26Å; G503-F577 WeakPolarHBondContact O-CB 3.2Å; H506-F577 WeakPolarHBondContact O-CA 3.44Å; V507-F577 HydrophobicContact CG2-CD1 3.78Å; V507-F577 HydrophobicContact CG2-CE1 3.71Å; V507-F577 HydrophobicContact CG2-CZ 4.47Å; L540-F577 HydrophobicContact CD1-CE1 3.66Å; L540-F577 HydrophobicContact CD1-CZ 3.83Å; F577-L606 HydrophobicContact CB-CD2 4.44Å; F577-L606 HydrophobicContact CD1-CD2 3.56Å; F577-L606 HydrophobicContact CD2-CB 4.09Å; F577-L606 HydrophobicContact CD2-CD2 4.18Å; F577-L606 HydrophobicContact CE1-CD2 3.67Å; F577-L606 HydrophobicContact CE2-CB 4.3Å; F577-L606 HydrophobicContact CE2-CD2 4.29Å; F577-L606 WeakPolarHBondContact CE2-O 3.18Å; F577-L606 HydrophobicContact CG-CB 4.41Å; F577-L606 HydrophobicContact CG-CD2 3.81Å; F577-L606 HydrophobicContact CZ-CD2 4.04Å; F577-T609 HydrophobicContact CE2-CG2 4.37Å; F577-T609 HydrophobicContact CZ-CG2 3.74Å; F577-A610 HydrophobicContact CE2-CB 4.19Å
578	Y	93.1	Very high	93	Very high	55 Å²	55	32.1 Å²	32.1	22%	0.216	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	173.9	-176.6	84.6	-60.1	0	0	0	112.5	K505 H506 V507 K508 K580	K505-Y578 PolarHBondContact N-O 3.31Å; H506-Y578 HydrophobicContact CB-CD1 3.77Å; H506-Y578 HydrophobicContact CB-CE1 3.44Å; H506-Y578 VanDerWaalsContact CB-CE1 3.44Å; H506-Y578 PolarHBondContact N-O 2.91Å; H506-Y578 PolarHBondContact O-N 2.95Å; V507-Y578 VanDerWaalsContact C-CE1 3.47Å; K508-Y578 HydrophobicContact CB-CD1 3.64Å; K508-Y578 HydrophobicContact CB-CE1 3.7Å; K508-Y578 HydrophobicContact CB-CG 4.17Å; Y578-K580 HydrophobicContact CE2-CB 4.27Å
579	N	91.1	Very high	93	Very high	18 Å²	18	32 Å²	32	10%	0.096	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-112.2	131.8	168.6	-63	-11	0	0	0	107.9	W504 K505 D581 E582	W504-N579 PolarHBondContact N-OD1 3.19Å; W504-N579 VanDerWaalsContact N-OD1 3.08Å; K505-N579 HydrophobicContact CD-CB 4.26Å; K505-N579 WeakPolarHBondContact CG-OD1 3.31Å; K505-N579 PolarHBondContact N-OD1 2.69Å; N579-D581 VanDerWaalsContact C-N 3.31Å; N579-D581 PolarHBondContact O-N 3.44Å; N579-E582 HydrophobicContact CB-CB 4.06Å; N579-E582 WeakPolarHBondContact CB-O 3.49Å; N579-E582 PolarHBondContact ND2-OE2 2.96Å; N579-E582 VanDerWaalsContact O-O 3.12Å
580	K	84.1	Confident	92.9	Very high	144 Å²	144	35.2 Å²	35.2	63%	0.626	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-30.4	-170.6	-175.3	178.9	178.5	-179.7	0	113.4	H506 Y578	H506-K580 PolarHBondContact ND1-N 3.3Å; Y578-K580 HydrophobicContact CE2-CB 4.27Å
581	D	81.9	Confident	92.8	Very high	123 Å²	123	38.8 Å²	38.8	66%	0.658	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.7	16.9	-168.7	-31.7	-80.2	0	0	0	111.7	N579	N579-D581 VanDerWaalsContact C-N 3.31Å; N579-D581 PolarHBondContact O-N 3.44Å
582	E	84.4	Confident	92.8	Very high	59 Å²	59	38.8 Å²	38.8	28%	0.276	19%	0.193	S	C	.	.	B	Isolated β-bridge	trans	-165.5	105.4	-170	177	169.8	-117.8	0	0	109.3	K299 K505 N579	K299-E582 IonicContact NZ-OE1 3.65Å; K299-E582 PolarHBondContact NZ-OE1 2.71Å; K505-E582 IonicContact NZ-OE2 3.31Å; N579-E582 HydrophobicContact CB-CB 4.06Å; N579-E582 WeakPolarHBondContact CB-O 3.49Å; N579-E582 PolarHBondContact ND2-OE2 2.96Å; N579-E582 VanDerWaalsContact O-O 3.12Å
583	E	88.9	Confident	92.7	Very high	83 Å²	83	40 Å²	40	39%	0.388	20%	0.201	S	C	.	.			trans	-75.4	159.1	177.4	-70.9	-74.1	-168.9	0	0	110.9	D297 Y298 P585	D297-E583 PolarHBondContact O-N 2.97Å; Y298-E583 HydrophobicContact CD1-CB 3.87Å; Y298-E583 HydrophobicContact CE1-CB 3.48Å; Y298-E583 VanDerWaalsContact CE1-CB 3.48Å; Y298-E583 HydrophobicContact CE1-CG 4.15Å; E583-P585 VanDerWaalsContact O-CD 3.27Å; E583-P585 WeakPolarHBondContact O-CD 3.47Å
584	Y	93.4	Very high	92.6	Very high	15 Å²	15	40.1 Å²	40.1	6%	0.059	20%	0.201	C	C	.	.			trans	-68.9	114.3	176.1	179.4	-110	0	0	0	109.9	A430 L502 F586 L587 D592 L597 I600	A430-Y584 HydrophobicContact CB-CD1 4.18Å; A430-Y584 HydrophobicContact CB-CE1 3.51Å; L502-Y584 HydrophobicContact CD2-CD1 3.75Å; L502-Y584 HydrophobicContact CD2-CE1 4.48Å; L502-Y584 HydrophobicContact CD2-CG 3.89Å; L502-Y584 WeakPolarHBondContact O-CD2 3.12Å; Y584-F586 HydrophobicContact CD1-CB 4.47Å; Y584-F586 HydrophobicContact CE1-CB 3.85Å; Y584-F586 HydrophobicContact CE2-CD2 4.09Å; Y584-F586 AromaticContact CZ-CD2 3.98Å; Y584-F586 PolarHBondContact O-N 2.77Å; Y584-F586 VanDerWaalsContact O-N 3.12Å; Y584-L587 HydrophobicContact CD1-CB 4.06Å; Y584-D592 WeakPolarHBondContact CE1-OD1 3.36Å; Y584-D592 PolarHBondContact OH-OD1 2.76Å; Y584-L597 HydrophobicContact CE2-CD1 4.07Å; Y584-I600 HydrophobicContact CD2-CD1 4.42Å; Y584-I600 HydrophobicContact CE2-CD1 4.37Å
585	P	91.4	Very high	92.5	Very high	25 Å²	25	44.3 Å²	44.3	16%	0.162	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-17.2	-164.8	25.2	-34	0	0	0	114.3	K299 T301 E583	K299-P585 WeakPolarHBondContact O-CB 3.14Å; T301-P585 HydrophobicContact CG2-CB 3.48Å; T301-P585 VanDerWaalsContact CG2-CB 3.48Å; T301-P585 WeakPolarHBondContact CG2-O 3.33Å; E583-P585 VanDerWaalsContact O-CD 3.27Å; E583-P585 WeakPolarHBondContact O-CD 3.47Å
586	F	94.9	Very high	92.5	Very high	26 Å²	26	45.3 Å²	45.3	11%	0.114	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-1.3	-170.5	-48.6	-55.7	0	0	0	114.6	L304 Y584 D588 T589 Q591 D592 N596 M599	L304-F586 HydrophobicContact CD1-CD1 3.92Å; L304-F586 HydrophobicContact CD1-CE1 4.28Å; Y584-F586 HydrophobicContact CD1-CB 4.47Å; Y584-F586 HydrophobicContact CE1-CB 3.85Å; Y584-F586 HydrophobicContact CE2-CD2 4.09Å; Y584-F586 AromaticContact CZ-CD2 3.98Å; Y584-F586 PolarHBondContact O-N 2.77Å; Y584-F586 VanDerWaalsContact O-N 3.12Å; F586-D588 PolarHBondContact O-N 2.77Å; F586-T589 WeakPolarHBondContact CA-OG1 3.21Å; F586-T589 WeakPolarHBondContact O-CB 3.4Å; F586-T589 PolarHBondContact O-N 3.49Å; F586-T589 PolarHBondContact O-OG1 3.45Å; F586-Q591 HydrophobicContact CB-CB 4.15Å; F586-Q591 HydrophobicContact CD1-CB 3.54Å; F586-Q591 HydrophobicContact CD1-CG 4.5Å; F586-Q591 HydrophobicContact CE1-CB 4.23Å; F586-Q591 HydrophobicContact CG-CB 4.01Å; F586-D592 HydrophobicContact CB-CB 4.45Å; F586-D592 WeakPolarHBondContact O-CB 3.45Å; F586-N596 HydrophobicContact CD2-CB 3.74Å; F586-N596 HydrophobicContact CE2-CB 3.7Å; F586-N596 HydrophobicContact CZ-CB 4.44Å; F586-M599 HydrophobicContact CE2-CE 3.6Å; F586-M599 HydrophobicContact CZ-CE 3.94Å
587	L	93.1	Very high	92.6	Very high	51 Å²	51	44.9 Å²	44.9	27%	0.267	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	135.9	-179.5	-161.6	69	0	0	0	110.6	K431 L502 Y584 T589	K431-L587 HydrophobicContact CB-CD1 4.13Å; K431-L587 HydrophobicContact CD-CD1 3.9Å; K431-L587 HydrophobicContact CD-CG 4.47Å; L502-L587 HydrophobicContact CD2-CD1 4.02Å; Y584-L587 HydrophobicContact CD1-CB 4.06Å; L587-T589 PolarHBondContact O-N 3.28Å; L587-T589 VanDerWaalsContact O-N 3.13Å
588	D	93.4	Very high	92.5	Very high	35 Å²	35	48.8 Å²	48.8	19%	0.187	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	20.4	-178.5	-52.9	-30.4	0	0	0	114.1	P306 F307 K431 F586	P306-D588 CarbonylContact C-O 3.56Å; P306-D588 WeakPolarHBondContact CA-O 3.35Å; F307-D588 PolarHBondContact N-O 3.35Å; K431-D588 VanDerWaalsContact CD-OD1 3.32Å; K431-D588 WeakPolarHBondContact CD-OD1 3.37Å; K431-D588 WeakPolarHBondContact CE-OD1 3.36Å; K431-D588 IonicContact NZ-OD1 3.86Å; K431-D588 PolarHBondContact NZ-OD1 2.96Å; K431-D588 IonicContact NZ-OD2 2.73Å; K431-D588 PolarHBondContact NZ-OD2 3.5Å; F586-D588 PolarHBondContact O-N 2.77Å
589	T	95.1	Very high	92.5	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.006	26%	0.258	C	S	.	.	S	Bend	trans	-113.9	163.1	174.1	77.5	0	0	0	0	112.4	L293 L304 P306 F586 L587 Q591 D592	L293-T589 HydrophobicContact CD1-CG2 4.01Å; L304-T589 HydrophobicContact CB-CG2 4.27Å; L304-T589 HydrophobicContact CD1-CG2 4.29Å; P306-T589 HydrophobicContact CB-CG2 4.38Å; F586-T589 WeakPolarHBondContact CA-OG1 3.21Å; F586-T589 WeakPolarHBondContact O-CB 3.4Å; F586-T589 PolarHBondContact O-N 3.49Å; F586-T589 PolarHBondContact O-OG1 3.45Å; L587-T589 PolarHBondContact O-N 3.28Å; L587-T589 VanDerWaalsContact O-N 3.13Å; T589-Q591 PolarHBondContact O-N 3.31Å; T589-Q591 PolarHBondContact OG1-N 2.92Å; T589-Q591 VanDerWaalsContact OG1-N 3.08Å; T589-D592 PolarHBondContact O-N 3.27Å
590	T	94.4	Very high	92.6	Very high	67 Å²	67	52 Å²	52	41%	0.411	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-9.8	169.6	54.2	0	0	0	0	114.1	W425 P427	W425-T590 HydrophobicContact CH2-CG2 3.63Å; W425-T590 HydrophobicContact CZ2-CG2 4.42Å; W425-T590 HydrophobicContact CZ3-CG2 3.72Å; P427-T590 VanDerWaalsContact CD-O 3.29Å; P427-T590 WeakPolarHBondContact CD-O 3.19Å
591	Q	95.3	Very high	92.9	Very high	76 Å²	76	49 Å²	49	36%	0.355	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	3.3	178.3	-68.1	-65.4	-13.1	0	0	113.8	L304 F586 T589 T593 N596	L304-Q591 HydrophobicContact CD1-CB 4.07Å; L304-Q591 HydrophobicContact CD1-CG 3.9Å; L304-Q591 HydrophobicContact CD2-CG 3.66Å; L304-Q591 HydrophobicContact CG-CG 4.47Å; F586-Q591 HydrophobicContact CB-CB 4.15Å; F586-Q591 HydrophobicContact CD1-CB 3.54Å; F586-Q591 HydrophobicContact CD1-CG 4.5Å; F586-Q591 HydrophobicContact CE1-CB 4.23Å; F586-Q591 HydrophobicContact CG-CB 4.01Å; T589-Q591 PolarHBondContact O-N 3.31Å; T589-Q591 PolarHBondContact OG1-N 2.92Å; T589-Q591 VanDerWaalsContact OG1-N 3.08Å; Q591-T593 PolarHBondContact O-N 3.19Å; Q591-N596 PolarHBondContact O-ND2 3.43Å; Q591-N596 PolarHBondContact OE1-ND2 2.9Å
592	D	96.3	Very high	93.4	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	24%	0.241	C	C	.	.			trans	-73	63.7	171.1	-167	18.5	0	0	0	111.5	P427 G428 A429 A430 K431 Y584 F586 T589	P427-D592 CarbonylContact C-O 3.54Å; P427-D592 VanDerWaalsContact C-O 3.25Å; P427-D592 WeakPolarHBondContact CB-O 3.48Å; G428-D592 VanDerWaalsContact CA-OD2 3.23Å; G428-D592 WeakPolarHBondContact CA-OD2 3.47Å; G428-D592 PolarHBondContact N-O 2.78Å; G428-D592 VanDerWaalsContact N-O 3.11Å; A429-D592 WeakPolarHBondContact CB-O 3.41Å; A429-D592 VanDerWaalsContact N-CG 3.34Å; A429-D592 PolarHBondContact N-O 2.83Å; A429-D592 PolarHBondContact N-OD2 3.46Å; A429-D592 VanDerWaalsContact N-OD2 3.1Å; A430-D592 VanDerWaalsContact CB-OD1 3.24Å; A430-D592 WeakPolarHBondContact CB-OD1 3.27Å; A430-D592 VanDerWaalsContact N-CG 3.29Å; A430-D592 PolarHBondContact N-OD1 2.49Å; A430-D592 PolarHBondContact N-OD2 2.54Å; K431-D592 PolarHBondContact N-OD2 3.26Å; Y584-D592 WeakPolarHBondContact CE1-OD1 3.36Å; Y584-D592 PolarHBondContact OH-OD1 2.76Å; F586-D592 HydrophobicContact CB-CB 4.45Å; F586-D592 WeakPolarHBondContact O-CB 3.45Å; T589-D592 PolarHBondContact O-N 3.27Å
593	T	96.3	Very high	93.9	Very high	27 Å²	27	44.7 Å²	44.7	17%	0.166	23%	0.23	C	C	.	.			trans	-94.4	154.4	-177.3	61.9	0	0	0	0	110.8	P427 A429 Q591 E595 N596 L597	P427-T593 HydrophobicContact CB-CG2 4.4Å; P427-T593 HydrophobicContact CG-CG2 4.12Å; A429-T593 VanDerWaalsContact CB-C 3.45Å; Q591-T593 PolarHBondContact O-N 3.19Å; T593-E595 PolarHBondContact O-N 2.83Å; T593-N596 PolarHBondContact O-N 2.91Å; T593-N596 WeakPolarHBondContact OG1-CB 3.42Å; T593-N596 VanDerWaalsContact OG1-CG 3.23Å; T593-N596 PolarHBondContact OG1-N 3.09Å; T593-N596 PolarHBondContact OG1-ND2 3.23Å; T593-L597 WeakPolarHBondContact O-CB 3.47Å; T593-L597 PolarHBondContact O-N 2.83Å
594	V	95.8	Very high	94.2	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.012	22%	0.219	C	C	.	.	H	α-helix	trans	-61.4	-25.1	173.5	-175.2	0	0	0	0	110.6	L155 R158 A159 A429 K598	L155-V594 HydrophobicContact CD2-CG1 4.41Å; L155-V594 HydrophobicContact CG-CG1 4.22Å; L155-V594 HydrophobicContact CG-CG2 4.38Å; R158-V594 HydrophobicContact CB-CG2 4.34Å; A159-V594 HydrophobicContact CB-CB 4.3Å; A159-V594 HydrophobicContact CB-CG2 4.15Å; A429-V594 HydrophobicContact CB-CB 4.46Å; A429-V594 HydrophobicContact CB-CG2 3.84Å; V594-K598 VanDerWaalsContact O-CD 3.24Å; V594-K598 WeakPolarHBondContact O-CD 3.34Å; V594-K598 WeakPolarHBondContact O-CE 3.14Å; V594-K598 WeakPolarHBondContact O-CG 3.31Å; V594-K598 PolarHBondContact O-N 2.9Å
595	E	94.8	Very high	94.2	Very high	96 Å²	96	42.6 Å²	42.6	45%	0.449	22%	0.223	S	C	.	.	H	α-helix	trans	-73.9	-47.3	178.2	-74.1	48.6	-108.2	0	0	111.8	T593 K598	T593-E595 PolarHBondContact O-N 2.83Å; E595-K598 PolarHBondContact O-N 3.39Å; E595-K598 IonicContact OE1-NZ 2.78Å; E595-K598 PolarHBondContact OE1-NZ 3.45Å
596	N	95	Very high	94.5	Very high	35 Å²	35	41.6 Å²	41.6	19%	0.187	22%	0.216	C	C	.	.	H	α-helix	trans	-70.3	-36.7	176.3	-68.9	-22.1	0	0	0	111.7	F586 Q591 T593 K598 M599	F586-N596 HydrophobicContact CD2-CB 3.74Å; F586-N596 HydrophobicContact CE2-CB 3.7Å; F586-N596 HydrophobicContact CZ-CB 4.44Å; Q591-N596 PolarHBondContact O-ND2 3.43Å; Q591-N596 PolarHBondContact OE1-ND2 2.9Å; T593-N596 PolarHBondContact O-N 2.91Å; T593-N596 WeakPolarHBondContact OG1-CB 3.42Å; T593-N596 VanDerWaalsContact OG1-CG 3.23Å; T593-N596 PolarHBondContact OG1-N 3.09Å; T593-N596 PolarHBondContact OG1-ND2 3.23Å; N596-K598 VanDerWaalsContact C-N 3.26Å; N596-K598 PolarHBondContact O-N 2.98Å; N596-M599 HydrophobicContact CB-CE 4.07Å; N596-M599 VanDerWaalsContact O-CB 3.27Å; N596-M599 WeakPolarHBondContact O-CB 3.1Å; N596-M599 WeakPolarHBondContact O-CG 3.34Å; N596-M599 PolarHBondContact O-N 2.65Å
597	L	95.4	Very high	94.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62.9	-30.7	177.2	-176.5	56.6	0	0	0	112.8	L155 A429 A430 V434 Y584 T593 M599 I600 L603	L155-L597 HydrophobicContact CD2-CD2 4.15Å; A429-L597 HydrophobicContact CB-CB 4.43Å; A429-L597 HydrophobicContact CB-CD2 3.92Å; A430-L597 HydrophobicContact CB-CD1 3.97Å; A430-L597 HydrophobicContact CB-CD2 4.22Å; V434-L597 HydrophobicContact CG2-CD2 3.82Å; Y584-L597 HydrophobicContact CE2-CD1 4.07Å; T593-L597 WeakPolarHBondContact O-CB 3.47Å; T593-L597 PolarHBondContact O-N 2.83Å; L597-M599 PolarHBondContact O-N 2.87Å; L597-M599 VanDerWaalsContact O-N 3.13Å; L597-I600 HydrophobicContact CD1-CD1 3.54Å; L597-I600 HydrophobicContact CD1-CG1 4.21Å; L597-I600 WeakPolarHBondContact O-CB 3.24Å; L597-I600 WeakPolarHBondContact O-CG1 3.22Å; L597-I600 PolarHBondContact O-N 2.84Å; L597-L603 HydrophobicContact CD1-CD1 3.88Å; L597-L603 HydrophobicContact CD2-CD1 4.27Å; L597-L603 HydrophobicContact CD2-CD2 4.44Å; L597-L603 HydrophobicContact CG-CD1 3.75Å; L597-L603 HydrophobicContact CG-CD2 3.89Å; L597-L603 HydrophobicContact CG-CG 4.49Å
598	K	95	Very high	94.8	Very high	86 Å²	86	40.4 Å²	40.4	37%	0.374	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-10.9	173.1	-74.9	157.9	-171	156.4	0	114.2	V594 E595 N596 I600 L603 Y604	V594-K598 VanDerWaalsContact O-CD 3.24Å; V594-K598 WeakPolarHBondContact O-CD 3.34Å; V594-K598 WeakPolarHBondContact O-CE 3.14Å; V594-K598 WeakPolarHBondContact O-CG 3.31Å; V594-K598 PolarHBondContact O-N 2.9Å; E595-K598 PolarHBondContact O-N 3.39Å; E595-K598 IonicContact OE1-NZ 2.78Å; E595-K598 PolarHBondContact OE1-NZ 3.45Å; N596-K598 VanDerWaalsContact C-N 3.26Å; N596-K598 PolarHBondContact O-N 2.98Å; K598-I600 PolarHBondContact O-N 3.46Å; K598-L603 HydrophobicContact CG-CD2 4.25Å; K598-Y604 WeakPolarHBondContact CE-OH 3.18Å
599	M	93.1	Very high	94.9	Very high	125 Å²	125	38.9 Å²	38.9	62%	0.616	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-15.8	170.8	-60.9	-167.2	-72.9	0	0	112.6	F586 N596 L597 T601	F586-M599 HydrophobicContact CE2-CE 3.6Å; F586-M599 HydrophobicContact CZ-CE 3.94Å; N596-M599 HydrophobicContact CB-CE 4.07Å; N596-M599 VanDerWaalsContact O-CB 3.27Å; N596-M599 WeakPolarHBondContact O-CB 3.1Å; N596-M599 WeakPolarHBondContact O-CG 3.34Å; N596-M599 PolarHBondContact O-N 2.65Å; L597-M599 PolarHBondContact O-N 2.87Å; L597-M599 VanDerWaalsContact O-N 3.13Å; M599-T601 PolarHBondContact O-N 3.06Å
600	I	93	Very high	95	Very high	15 Å²	15	38.9 Å²	38.9	8%	0.077	20%	0.199	C	C	.	.	S	Bend	trans	-69.9	121	172.3	-59.9	-172.6	0	0	0	110.2	V501 W504 Y584 L597 K598 N602 L603 L606	V501-I600 HydrophobicContact CG1-CD1 4.12Å; V501-I600 HydrophobicContact CG1-CG2 4.19Å; W504-I600 HydrophobicContact CB-CG2 3.91Å; Y584-I600 HydrophobicContact CD2-CD1 4.42Å; Y584-I600 HydrophobicContact CE2-CD1 4.37Å; L597-I600 HydrophobicContact CD1-CD1 3.54Å; L597-I600 HydrophobicContact CD1-CG1 4.21Å; L597-I600 WeakPolarHBondContact O-CB 3.24Å; L597-I600 WeakPolarHBondContact O-CG1 3.22Å; L597-I600 PolarHBondContact O-N 2.84Å; K598-I600 PolarHBondContact O-N 3.46Å; I600-N602 PolarHBondContact O-N 2.82Å; I600-L603 HydrophobicContact CB-CB 4.45Å; I600-L603 HydrophobicContact CB-CD1 4.35Å; I600-L603 PolarHBondContact O-N 3.43Å; I600-L603 VanDerWaalsContact O-N 3.12Å; I600-L606 HydrophobicContact CG2-CD1 3.72Å
601	T	90.4	Very high	95.2	Very high	82 Å²	82	35.7 Å²	35.7	50%	0.503	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	123.1	178.6	-48.9	0	0	0	0	111.4	M599 L603 L606	M599-T601 PolarHBondContact O-N 3.06Å; T601-L603 VanDerWaalsContact C-N 3.31Å; T601-L603 PolarHBondContact O-N 2.94Å; T601-L606 WeakPolarHBondContact O-CD1 3.37Å
602	N	91.9	Very high	95.3	Very high	84 Å²	84	32.6 Å²	32.6	45%	0.449	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	37.1	-176.5	-161.8	11.2	0	0	0	114.5	P529 I600 Y604 G605 L606	P529-N602 PolarHBondContact O-ND2 2.99Å; I600-N602 PolarHBondContact O-N 2.82Å; N602-Y604 PolarHBondContact O-N 3Å; N602-G605 WeakPolarHBondContact O-CA 3.08Å; N602-G605 PolarHBondContact O-N 3.02Å; N602-G605 WeakPolarHBondContact OD1-CA 3.36Å; N602-G605 PolarHBondContact OD1-N 3.36Å; N602-L606 WeakPolarHBondContact O-CG 3.39Å; N602-L606 PolarHBondContact O-N 2.94Å
603	L	94.9	Very high	95.4	Very high	7 Å²	7	32.7 Å²	32.7	4%	0.037	17%	0.166	C	C	.	.	H	α-helix	trans	-37.5	-60.4	178	175.6	66.1	0	0	0	113.6	L155 V501 L597 K598 I600 T601 G605 L606 I607	L155-L603 HydrophobicContact CD2-CD2 4.42Å; V501-L603 HydrophobicContact CB-CD1 4.5Å; V501-L603 HydrophobicContact CG1-CD1 3.96Å; L597-L603 HydrophobicContact CD1-CD1 3.88Å; L597-L603 HydrophobicContact CD2-CD1 4.27Å; L597-L603 HydrophobicContact CD2-CD2 4.44Å; L597-L603 HydrophobicContact CG-CD1 3.75Å; L597-L603 HydrophobicContact CG-CD2 3.89Å; L597-L603 HydrophobicContact CG-CG 4.49Å; K598-L603 HydrophobicContact CG-CD2 4.25Å; I600-L603 HydrophobicContact CB-CB 4.45Å; I600-L603 HydrophobicContact CB-CD1 4.35Å; I600-L603 PolarHBondContact O-N 3.43Å; I600-L603 VanDerWaalsContact O-N 3.12Å; T601-L603 VanDerWaalsContact C-N 3.31Å; T601-L603 PolarHBondContact O-N 2.94Å; L603-G605 VanDerWaalsContact C-N 3.3Å; L603-G605 PolarHBondContact O-N 3.28Å; L603-L606 WeakPolarHBondContact O-CB 3.5Å; L603-L606 PolarHBondContact O-N 2.94Å; L603-L606 VanDerWaalsContact O-N 3.13Å; L603-I607 HydrophobicContact CD1-CD1 3.87Å; L603-I607 HydrophobicContact CD1-CG1 4.25Å; L603-I607 HydrophobicContact CG-CD1 3.89Å; L603-I607 WeakPolarHBondContact O-CG1 3.43Å; L603-I607 PolarHBondContact O-N 3.5Å
604	Y	95	Very high	95.5	Very high	40 Å²	40	31.4 Å²	31.4	16%	0.157	16%	0.158	C	C	.	.	H	α-helix	trans	-71	-24.6	-174.1	-50.5	-60.3	0	0	0	113.7	E152 L155 K598 N602 I607 R608	E152-Y604 HydrophobicContact CB-CD1 3.97Å; E152-Y604 HydrophobicContact CB-CE1 3.75Å; E152-Y604 HydrophobicContact CB-CE2 4.33Å; E152-Y604 HydrophobicContact CB-CG 4.38Å; E152-Y604 VanDerWaalsContact CD-CZ 3.47Å; E152-Y604 HydrophobicContact CG-CE1 3.85Å; E152-Y604 HydrophobicContact CG-CE2 4.09Å; E152-Y604 WeakPolarHBondContact CG-OH 3.41Å; E152-Y604 VanDerWaalsContact OE1-CE2 3.26Å; E152-Y604 WeakPolarHBondContact OE1-CE2 3.47Å; E152-Y604 PolarHBondContact OE1-OH 3.43Å; L155-Y604 HydrophobicContact CD2-CE1 4.17Å; K598-Y604 WeakPolarHBondContact CE-OH 3.18Å; N602-Y604 PolarHBondContact O-N 3Å; Y604-I607 HydrophobicContact CD1-CD1 4.16Å; Y604-R608 WeakPolarHBondContact O-CB 3.39Å; Y604-R608 PolarHBondContact O-N 3.3Å
605	G	94.8	Very high	95.6	Very high	14 Å²	14	31.3 Å²	31.3	14%	0.144	16%	0.157	C	C	.	.	H	α-helix	trans	-65.2	-45.7	168.6	0	0	0	0	0	111.2	N602 L603 R608 T609	N602-G605 WeakPolarHBondContact O-CA 3.08Å; N602-G605 PolarHBondContact O-N 3.02Å; N602-G605 WeakPolarHBondContact OD1-CA 3.36Å; N602-G605 PolarHBondContact OD1-N 3.36Å; L603-G605 VanDerWaalsContact C-N 3.3Å; L603-G605 PolarHBondContact O-N 3.28Å; G605-R608 PolarHBondContact O-N 2.98Å; G605-T609 PolarHBondContact O-N 2.9Å; G605-T609 PolarHBondContact O-OG1 2.88Å; G605-T609 VanDerWaalsContact O-OG1 3.06Å
606	L	95.8	Very high	95.7	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.016	14%	0.136	C	C	.	.	H	α-helix	trans	-62.6	-42.3	175.3	-61.6	161.9	0	0	0	111.9	V501 W504 P529 F577 I600 T601 N602 L603 T609 A610	V501-L606 HydrophobicContact CG1-CB 3.98Å; V501-L606 HydrophobicContact CG1-CD1 4.04Å; V501-L606 HydrophobicContact CG2-CB 3.97Å; W504-L606 HydrophobicContact CB-CD1 3.71Å; P529-L606 HydrophobicContact CG-CD2 3.77Å; P529-L606 HydrophobicContact CG-CG 4.45Å; F577-L606 HydrophobicContact CB-CD2 4.44Å; F577-L606 HydrophobicContact CD1-CD2 3.56Å; F577-L606 HydrophobicContact CD2-CB 4.09Å; F577-L606 HydrophobicContact CD2-CD2 4.18Å; F577-L606 HydrophobicContact CE1-CD2 3.67Å; F577-L606 HydrophobicContact CE2-CB 4.3Å; F577-L606 HydrophobicContact CE2-CD2 4.29Å; F577-L606 WeakPolarHBondContact CE2-O 3.18Å; F577-L606 HydrophobicContact CG-CB 4.41Å; F577-L606 HydrophobicContact CG-CD2 3.81Å; F577-L606 HydrophobicContact CZ-CD2 4.04Å; I600-L606 HydrophobicContact CG2-CD1 3.72Å; T601-L606 WeakPolarHBondContact O-CD1 3.37Å; N602-L606 WeakPolarHBondContact O-CG 3.39Å; N602-L606 PolarHBondContact O-N 2.94Å; L603-L606 WeakPolarHBondContact O-CB 3.5Å; L603-L606 PolarHBondContact O-N 2.94Å; L603-L606 VanDerWaalsContact O-N 3.13Å; L606-T609 PolarHBondContact O-N 3.32Å; L606-A610 WeakPolarHBondContact O-CB 3.42Å; L606-A610 PolarHBondContact O-N 3.41Å
607	I	97.4	Very high	95.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-62	-43.3	175.3	-62.6	172.5	0	0	0	110.6	L151 L155 V434 I438 V501 L603 Y604 A610 A611	L151-I607 HydrophobicContact CB-CG2 4.16Å; L151-I607 HydrophobicContact CD1-CG2 4.17Å; L151-I607 HydrophobicContact CD2-CG2 4.01Å; L151-I607 HydrophobicContact CG-CG2 4.34Å; L155-I607 HydrophobicContact CD2-CD1 4.02Å; V434-I607 HydrophobicContact CG1-CD1 4.44Å; V434-I607 HydrophobicContact CG1-CG1 4.03Å; V434-I607 HydrophobicContact CG1-CG2 4.46Å; V434-I607 HydrophobicContact CG2-CD1 3.98Å; V434-I607 HydrophobicContact CG2-CG1 4.35Å; I438-I607 HydrophobicContact CD1-CG2 4.1Å; I438-I607 HydrophobicContact CG1-CG2 3.74Å; V501-I607 HydrophobicContact CB-CG1 4.43Å; V501-I607 HydrophobicContact CG2-CG1 3.77Å; L603-I607 HydrophobicContact CD1-CD1 3.87Å; L603-I607 HydrophobicContact CD1-CG1 4.25Å; L603-I607 HydrophobicContact CG-CD1 3.89Å; L603-I607 WeakPolarHBondContact O-CG1 3.43Å; L603-I607 PolarHBondContact O-N 3.5Å; Y604-I607 HydrophobicContact CD1-CD1 4.16Å; I607-A610 PolarHBondContact O-N 2.97Å; I607-A611 PolarHBondContact O-N 2.86Å
608	R	97.1	Very high	96	Very high	52 Å²	52	25.2 Å²	25.2	20%	0.196	13%	0.128	C	C	.	.	H	α-helix	trans	-62.6	-43.7	174.4	-171.6	-163.1	160.3	-76.2	-0.4	111.5	S143 L146 V148 L151 Y604 G605 A610 A611 E612	S143-R608 PolarHBondContact O-NH2 2.83Å; S143-R608 PolarHBondContact OG-NH2 3.48Å; L146-R608 HydrophobicContact CB-CG 4.08Å; L146-R608 PolarHBondContact O-NE 3.37Å; V148-R608 HydrophobicContact CG2-CB 4.23Å; V148-R608 HydrophobicContact CG2-CG 4.43Å; L151-R608 HydrophobicContact CD1-CB 3.96Å; L151-R608 HydrophobicContact CD1-CG 4.36Å; Y604-R608 WeakPolarHBondContact O-CB 3.39Å; Y604-R608 PolarHBondContact O-N 3.3Å; G605-R608 PolarHBondContact O-N 2.98Å; R608-A610 VanDerWaalsContact C-N 3.33Å; R608-A610 PolarHBondContact O-N 3.4Å; R608-A611 WeakPolarHBondContact O-CB 3.17Å; R608-A611 PolarHBondContact O-N 3.15Å; R608-E612 IonicContact CZ-OE2 2.68Å; R608-E612 IonicContact NH1-OE2 3.4Å; R608-E612 PolarHBondContact NH1-OE2 3.46Å; R608-E612 IonicContact NH2-OE2 2.77Å; R608-E612 PolarHBondContact NH2-OE2 3.34Å; R608-E612 PolarHBondContact O-N 2.73Å
609	T	96.1	Very high	96.1	Very high	4 Å²	4	21.1 Å²	21.1	3%	0.025	11%	0.11	C	C	.	.	H	α-helix	trans	-63.9	-38.1	177.2	-58.9	0	0	0	0	111.7	V526 P529 L540 F577 G605 L606 E612 V613	V526-T609 HydrophobicContact CG1-CG2 3.51Å; P529-T609 HydrophobicContact CG-CG2 4.43Å; P529-T609 WeakPolarHBondContact CG-OG1 3.27Å; L540-T609 HydrophobicContact CD1-CG2 4.36Å; L540-T609 HydrophobicContact CD2-CG2 4.24Å; F577-T609 HydrophobicContact CE2-CG2 4.37Å; F577-T609 HydrophobicContact CZ-CG2 3.74Å; G605-T609 PolarHBondContact O-N 2.9Å; G605-T609 PolarHBondContact O-OG1 2.88Å; G605-T609 VanDerWaalsContact O-OG1 3.06Å; L606-T609 PolarHBondContact O-N 3.32Å; T609-E612 PolarHBondContact O-N 2.74Å; T609-V613 WeakPolarHBondContact O-CG2 3.49Å; T609-V613 PolarHBondContact O-N 3.27Å
610	A	97.6	Very high	96.2	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.008	9%	0.09	C	C	.	.	H	α-helix	trans	-64.1	-43.1	174.3	0	0	0	0	0	111.9	I438 A500 F575 F577 L606 I607 R608 E612 V613 A614	I438-A610 HydrophobicContact CD1-CB 3.83Å; A500-A610 HydrophobicContact CB-CB 4.16Å; F575-A610 HydrophobicContact CE2-CB 4.14Å; F575-A610 WeakPolarHBondContact CZ-O 3.5Å; F577-A610 HydrophobicContact CE2-CB 4.19Å; L606-A610 WeakPolarHBondContact O-CB 3.42Å; L606-A610 PolarHBondContact O-N 3.41Å; I607-A610 PolarHBondContact O-N 2.97Å; R608-A610 VanDerWaalsContact C-N 3.33Å; R608-A610 PolarHBondContact O-N 3.4Å; A610-E612 VanDerWaalsContact C-N 3.32Å; A610-E612 PolarHBondContact O-N 3.41Å; A610-V613 PolarHBondContact O-N 2.77Å; A610-A614 PolarHBondContact O-N 3Å
611	A	98.2	Very high	96.4	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-59.8	-41.6	171.5	0	0	0	0	0	112	L146 I438 I607 R608 V613 A614 G615	L146-A611 HydrophobicContact CD1-CB 4.4Å; L146-A611 HydrophobicContact CD2-CB 3.81Å; I438-A611 HydrophobicContact CG1-CB 4.31Å; I438-A611 HydrophobicContact CG2-CB 3.75Å; I607-A611 PolarHBondContact O-N 2.86Å; R608-A611 WeakPolarHBondContact O-CB 3.17Å; R608-A611 PolarHBondContact O-N 3.15Å; A611-V613 PolarHBondContact O-N 2.89Å; A611-A614 PolarHBondContact O-N 2.92Å; A611-G615 PolarHBondContact O-N 3.13Å
612	E	97.6	Very high	96.7	Very high	10 Å²	10	13.1 Å²	13.1	5%	0.047	6%	0.063	C	C	.	.	H	α-helix	trans	-65.2	-38.7	178.7	-165.1	173.6	175.5	0	0	112.7	S143 L146 V526 R608 T609 A610 Q616	S143-E612 WeakPolarHBondContact CB-OE1 3.36Å; S143-E612 PolarHBondContact OG-OE1 2.76Å; S143-E612 PolarHBondContact OG-OE2 2.62Å; L146-E612 HydrophobicContact CD1-CB 3.7Å; L146-E612 HydrophobicContact CD1-CG 4.09Å; V526-E612 HydrophobicContact CG2-CG 4.2Å; R608-E612 IonicContact CZ-OE2 2.68Å; R608-E612 IonicContact NH1-OE2 3.4Å; R608-E612 PolarHBondContact NH1-OE2 3.46Å; R608-E612 IonicContact NH2-OE2 2.77Å; R608-E612 PolarHBondContact NH2-OE2 3.34Å; R608-E612 PolarHBondContact O-N 2.73Å; T609-E612 PolarHBondContact O-N 2.74Å; A610-E612 VanDerWaalsContact C-N 3.32Å; A610-E612 PolarHBondContact O-N 3.41Å; E612-Q616 WeakPolarHBondContact O-CB 3.27Å; E612-Q616 WeakPolarHBondContact O-CG 3.41Å; E612-Q616 PolarHBondContact O-N 3.35Å; E612-Q616 PolarHBondContact OE1-NE2 3.24Å
613	V	97.7	Very high	96.9	Very high	3 Å²	3	10.6 Å²	10.6	2%	0.018	5%	0.048	C	C	.	.	H	α-helix	trans	-63.3	-53.9	173.3	172.1	0	0	0	0	111	T522 V526 L540 F575 T609 A610 A611 G615 Q616 I617	T522-V613 HydrophobicContact CG2-CB 4.3Å; T522-V613 HydrophobicContact CG2-CG1 3.99Å; T522-V613 HydrophobicContact CG2-CG2 4.38Å; V526-V613 HydrophobicContact CB-CG2 4.33Å; V526-V613 HydrophobicContact CG1-CG2 4.13Å; V526-V613 HydrophobicContact CG2-CG2 4.02Å; L540-V613 HydrophobicContact CD2-CG2 3.48Å; L540-V613 VanDerWaalsContact CD2-CG2 3.48Å; F575-V613 HydrophobicContact CD1-CG1 4.26Å; F575-V613 HydrophobicContact CD2-CG1 4.08Å; F575-V613 HydrophobicContact CE1-CG1 3.85Å; F575-V613 HydrophobicContact CE2-CB 3.76Å; F575-V613 HydrophobicContact CE2-CG1 3.65Å; F575-V613 HydrophobicContact CG-CG1 4.38Å; F575-V613 HydrophobicContact CZ-CB 3.75Å; F575-V613 HydrophobicContact CZ-CG1 3.53Å; T609-V613 WeakPolarHBondContact O-CG2 3.49Å; T609-V613 PolarHBondContact O-N 3.27Å; A610-V613 PolarHBondContact O-N 2.77Å; A611-V613 PolarHBondContact O-N 2.89Å; V613-G615 VanDerWaalsContact C-N 3.32Å; V613-G615 PolarHBondContact O-N 3Å; V613-Q616 PolarHBondContact O-N 3.08Å; V613-I617 HydrophobicContact CG1-CD1 3.81Å; V613-I617 VanDerWaalsContact O-CG1 3.29Å; V613-I617 WeakPolarHBondContact O-CG1 3.48Å; V613-I617 PolarHBondContact O-N 3.12Å
614	A	98.4	Very high	96.7	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-60.8	-41.5	-180	0	0	0	0	0	112.2	L442 I495 L497 F575 A610 A611 I617 A618	L442-A614 HydrophobicContact CD1-CB 3.82Å; I495-A614 HydrophobicContact CG2-CB 4.02Å; L497-A614 HydrophobicContact CD2-CB 3.64Å; F575-A614 HydrophobicContact CE1-CB 4.14Å; F575-A614 HydrophobicContact CZ-CB 3.88Å; A610-A614 PolarHBondContact O-N 3Å; A611-A614 PolarHBondContact O-N 2.92Å; A614-I617 PolarHBondContact O-N 3.26Å; A614-A618 WeakPolarHBondContact O-CB 3.45Å; A614-A618 PolarHBondContact O-N 3.01Å
615	G	98.1	Very high	96.5	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-62.8	-45.1	175.3	0	0	0	0	0	112.5	L142 A611 V613 I617 A618 L619	L142-G615 VanDerWaalsContact CD2-C 3.47Å; A611-G615 PolarHBondContact O-N 3.13Å; V613-G615 VanDerWaalsContact C-N 3.32Å; V613-G615 PolarHBondContact O-N 3Å; G615-I617 PolarHBondContact O-N 3.41Å; G615-A618 PolarHBondContact O-N 3.23Å; G615-L619 WeakPolarHBondContact O-CB 3.41Å; G615-L619 VanDerWaalsContact O-CG 3.24Å; G615-L619 WeakPolarHBondContact O-CG 3.37Å; G615-L619 PolarHBondContact O-N 3.41Å
616	Q	97.7	Very high	96.4	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.009	7%	0.074	C	C	.	.	H	α-helix	trans	-64.3	-39.5	177.3	-77.5	-174.2	35	0	0	112.3	W135 K139 L142 T522 E612 V613 R620	W135-Q616 HydrophobicContact CH2-CB 3.96Å; W135-Q616 HydrophobicContact CH2-CG 4.13Å; W135-Q616 WeakPolarHBondContact CH2-O 3.35Å; W135-Q616 HydrophobicContact CZ2-CB 4.48Å; W135-Q616 HydrophobicContact CZ2-CG 4.48Å; K139-Q616 HydrophobicContact CG-CG 4.37Å; L142-Q616 HydrophobicContact CD2-CG 3.83Å; T522-Q616 HydrophobicContact CG2-CB 3.81Å; E612-Q616 WeakPolarHBondContact O-CB 3.27Å; E612-Q616 WeakPolarHBondContact O-CG 3.41Å; E612-Q616 PolarHBondContact O-N 3.35Å; E612-Q616 PolarHBondContact OE1-NE2 3.24Å; V613-Q616 PolarHBondContact O-N 3.08Å; Q616-R620 VanDerWaalsContact O-CB 3.29Å; Q616-R620 WeakPolarHBondContact O-CB 3.28Å; Q616-R620 PolarHBondContact O-N 3.12Å
617	I	97.8	Very high	96.3	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.005	7%	0.074	C	C	.	.	H	α-helix	trans	-60.5	-51.2	174.4	-64.7	163.5	0	0	0	110	I495 L518 L519 T522 F575 V613 A614 G615 R620 L621	I495-I617 HydrophobicContact CD1-CB 4.01Å; I495-I617 HydrophobicContact CD1-CG2 3.53Å; I495-I617 HydrophobicContact CG1-CG2 4.11Å; L518-I617 HydrophobicContact CD2-CG2 3.82Å; L518-I617 HydrophobicContact CG-CG2 4.45Å; L519-I617 HydrophobicContact CD2-CD1 3.67Å; T522-I617 HydrophobicContact CG2-CG1 4.31Å; F575-I617 HydrophobicContact CE1-CD1 4.33Å; V613-I617 HydrophobicContact CG1-CD1 3.81Å; V613-I617 VanDerWaalsContact O-CG1 3.29Å; V613-I617 WeakPolarHBondContact O-CG1 3.48Å; V613-I617 PolarHBondContact O-N 3.12Å; A614-I617 PolarHBondContact O-N 3.26Å; G615-I617 PolarHBondContact O-N 3.41Å; I617-R620 PolarHBondContact O-N 3.26Å; I617-L621 HydrophobicContact CG2-CD1 3.91Å; I617-L621 WeakPolarHBondContact O-CG 3.25Å; I617-L621 PolarHBondContact O-N 3.34Å
618	A	97.9	Very high	96.2	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-61.8	-46.5	-179.5	0	0	0	0	0	112.9	I418 I495 A614 G615 R620 T622	I418-A618 HydrophobicContact CD1-CB 3.68Å; I495-A618 HydrophobicContact CD1-CB 3.93Å; A614-A618 WeakPolarHBondContact O-CB 3.45Å; A614-A618 PolarHBondContact O-N 3.01Å; G615-A618 PolarHBondContact O-N 3.23Å; A618-R620 PolarHBondContact O-N 3.46Å; A618-T622 WeakPolarHBondContact O-CG2 3.36Å; A618-T622 PolarHBondContact O-N 2.97Å; A618-T622 PolarHBondContact O-OG1 2.72Å
619	L	97.4	Very high	96.1	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-63.4	-39.8	177.9	-70.5	179	0	0	0	111.6	W135 L142 I446 M449 Y455 G615 T622 H623	W135-L619 HydrophobicContact CZ3-CB 4.06Å; L142-L619 HydrophobicContact CB-CD1 3.89Å; L142-L619 HydrophobicContact CD2-CD1 3.79Å; L142-L619 HydrophobicContact CG-CD1 4.28Å; I446-L619 HydrophobicContact CG1-CD2 4.48Å; I446-L619 HydrophobicContact CG2-CD2 4.49Å; M449-L619 HydrophobicContact CE-CD1 3.88Å; M449-L619 HydrophobicContact CE-CD2 4.25Å; Y455-L619 HydrophobicContact CD1-CD2 4.08Å; Y455-L619 HydrophobicContact CE1-CD2 3.31Å; Y455-L619 HydrophobicContact CE2-CD2 4.3Å; Y455-L619 VanDerWaalsContact CZ-CD2 3.42Å; Y455-L619 WeakPolarHBondContact OH-CD2 3.37Å; G615-L619 WeakPolarHBondContact O-CB 3.41Å; G615-L619 VanDerWaalsContact O-CG 3.24Å; G615-L619 WeakPolarHBondContact O-CG 3.37Å; G615-L619 PolarHBondContact O-N 3.41Å; L619-T622 PolarHBondContact O-N 2.83Å; L619-T622 PolarHBondContact O-OG1 3.11Å; L619-H623 WeakPolarHBondContact O-CB 3.26Å; L619-H623 PolarHBondContact O-N 3.01Å
620	R	96.1	Very high	96.1	Very high	55 Å²	55	19 Å²	19	21%	0.208	8%	0.083	C	C	.	.	H	α-helix	trans	-65.8	-46.9	-178.3	-168.9	72.1	-157.4	-161.9	6.9	111.9	W135 L518 Q616 I617 A618 T622 D624	W135-R620 VanDerWaalsContact CD1-NH1 3.33Å; W135-R620 HydrophobicContact CH2-CB 3.95Å; W135-R620 HydrophobicContact CZ3-CB 3.84Å; W135-R620 HydrophobicContact CZ3-CG 4.46Å; L518-R620 HydrophobicContact CD1-CB 3.91Å; L518-R620 HydrophobicContact CD1-CG 3.78Å; Q616-R620 VanDerWaalsContact O-CB 3.29Å; Q616-R620 WeakPolarHBondContact O-CB 3.28Å; Q616-R620 PolarHBondContact O-N 3.12Å; I617-R620 PolarHBondContact O-N 3.26Å; A618-R620 PolarHBondContact O-N 3.46Å; R620-T622 PolarHBondContact O-N 3.21Å; R620-D624 IonicContact CZ-OD1 3.92Å; R620-D624 IonicContact CZ-OD2 3.37Å; R620-D624 IonicContact NE-OD1 3.71Å; R620-D624 PolarHBondContact NE-OD1 2.74Å; R620-D624 IonicContact NE-OD2 3.36Å; R620-D624 PolarHBondContact NE-OD2 2.82Å; R620-D624 IonicContact NH2-OD1 2.9Å; R620-D624 PolarHBondContact NH2-OD1 2.73Å; R620-D624 IonicContact NH2-OD2 3.44Å; R620-D624 PolarHBondContact NH2-OD2 3.36Å; R620-D624 PolarHBondContact O-N 2.7Å
621	L	97.1	Very high	95.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-65.6	-18.3	180	-67.4	164.3	0	0	0	114	R459 F492 T493 L518 I617 L629	R459-L621 PolarHBondContact NH1-O 2.77Å; F492-L621 HydrophobicContact CE2-CB 3.69Å; F492-L621 HydrophobicContact CE2-CD1 4.22Å; F492-L621 HydrophobicContact CE2-CG 4.38Å; F492-L621 HydrophobicContact CZ-CB 4.34Å; T493-L621 HydrophobicContact CG2-CD1 3.83Å; L518-L621 HydrophobicContact CD2-CD1 3.91Å; L518-L621 HydrophobicContact CD2-CD2 3.75Å; L518-L621 HydrophobicContact CD2-CG 3.65Å; I617-L621 HydrophobicContact CG2-CD1 3.91Å; I617-L621 WeakPolarHBondContact O-CG 3.25Å; I617-L621 PolarHBondContact O-N 3.34Å; L621-L629 HydrophobicContact CD2-CD2 4Å; L621-L629 HydrophobicContact CD2-CG 4.27Å
622	T	97.1	Very high	95.8	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-112.4	-15.4	-176.3	55.8	0	0	0	0	113.8	V416 Y455 R458 R459 I461 F492 A618 L619 R620	V416-T622 HydrophobicContact CG1-CG2 3.79Å; Y455-T622 PolarHBondContact OH-OG1 2.82Å; R458-T622 WeakPolarHBondContact CB-O 3.13Å; R458-T622 PolarHBondContact N-O 2.83Å; R459-T622 HydrophobicContact CB-CG2 4.13Å; I461-T622 HydrophobicContact CD1-CG2 4.32Å; I461-T622 HydrophobicContact CG1-CG2 3.86Å; F492-T622 HydrophobicContact CZ-CG2 4.08Å; A618-T622 WeakPolarHBondContact O-CG2 3.36Å; A618-T622 PolarHBondContact O-N 2.97Å; A618-T622 PolarHBondContact O-OG1 2.72Å; L619-T622 PolarHBondContact O-N 2.83Å; L619-T622 PolarHBondContact O-OG1 3.11Å; R620-T622 PolarHBondContact O-N 3.21Å
623	H	94.7	Very high	95.6	Very high	31 Å²	31	22.2 Å²	22.2	14%	0.144	10%	0.097	C	C	.	.	H	α-helix	trans	-81.5	-44	172.3	165.3	-91.5	0	0	0	112.8	L133 L138 R458 L619	L133-H623 PolarHBondContact O-NE2 3.21Å; L138-H623 HydrophobicContact CD1-CB 4.12Å; L138-H623 WeakPolarHBondContact CD1-CD2 3.06Å; R458-H623 WeakPolarHBondContact CD-O 3.25Å; R458-H623 PolarHBondContact NE-O 3.32Å; L619-H623 WeakPolarHBondContact O-CB 3.26Å; L619-H623 PolarHBondContact O-N 3.01Å
624	D	91.5	Very high	95.5	Very high	23 Å²	23	22.1 Å²	22.1	12%	0.123	10%	0.096	C	C	.	.	S	Bend	trans	-76.2	144.5	-172.7	-69.5	-0.1	0	0	0	112	R459 R620 E626	R459-D624 PolarHBondContact NH1-O 3.32Å; R459-D624 PolarHBondContact NH2-O 3.01Å; R620-D624 IonicContact CZ-OD1 3.92Å; R620-D624 IonicContact CZ-OD2 3.37Å; R620-D624 IonicContact NE-OD1 3.71Å; R620-D624 PolarHBondContact NE-OD1 2.74Å; R620-D624 IonicContact NE-OD2 3.36Å; R620-D624 PolarHBondContact NE-OD2 2.82Å; R620-D624 IonicContact NH2-OD1 2.9Å; R620-D624 PolarHBondContact NH2-OD1 2.73Å; R620-D624 IonicContact NH2-OD2 3.44Å; R620-D624 PolarHBondContact NH2-OD2 3.36Å; R620-D624 PolarHBondContact O-N 2.7Å; D624-E626 VanDerWaalsContact C-N 3.31Å; D624-E626 WeakPolarHBondContact CB-O 3.28Å
625	R	91.5	Very high	95.4	Very high	110 Å²	110	22.2 Å²	22.2	42%	0.415	10%	0.097	S	C	.	.	S	Bend	trans	-64.6	-36.6	173.8	-77.7	-172.4	175.3	155.5	2.2	112.3	R459 E685 N695	R459-R625 PolarHBondContact NH2-O 3.49Å; R625-E685 WeakPolarHBondContact CD-O 3.41Å; R625-E685 PolarHBondContact NH1-O 2.85Å; R625-N695 PolarHBondContact O-ND2 2.9Å
626	E	92.4	Very high	95.1	Very high	72 Å²	72	27.2 Å²	27.2	34%	0.336	12%	0.12	S	C	.	.	S	Bend	trans	-88.2	139.2	173.6	-170	169.7	123.4	0	0	110	D624 Y628 I680 R691	D624-E626 VanDerWaalsContact C-N 3.31Å; D624-E626 WeakPolarHBondContact CB-O 3.28Å; E626-Y628 PolarHBondContact O-N 2.95Å; E626-I680 WeakPolarHBondContact OE2-CG2 3.36Å; E626-R691 IonicContact OE2-NH1 3.55Å; E626-R691 PolarHBondContact OE2-NH1 3.06Å
627	L	93.8	Very high	95	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.01	13%	0.131	C	C	.	.			trans	-69.9	115.3	169.3	-81.8	173.1	0	0	0	109.8	F492 L629 N695 I698 M699	F492-L627 HydrophobicContact CB-CD1 4.13Å; F492-L627 HydrophobicContact CB-CD2 4.32Å; F492-L627 HydrophobicContact CD1-CD2 4.06Å; F492-L627 HydrophobicContact CD2-CD2 3.69Å; F492-L627 HydrophobicContact CE1-CD2 4.3Å; F492-L627 HydrophobicContact CE2-CD2 4Å; F492-L627 HydrophobicContact CG-CD1 4.36Å; F492-L627 HydrophobicContact CG-CD2 3.74Å; F492-L627 HydrophobicContact CZ-CD2 4.28Å; L627-L629 HydrophobicContact CB-CD1 4.32Å; L627-L629 HydrophobicContact CB-CG 4.47Å; L627-L629 PolarHBondContact O-N 3.5Å; L627-N695 HydrophobicContact CD1-CB 3.88Å; L627-N695 HydrophobicContact CG-CB 4.23Å; L627-N695 PolarHBondContact N-OD1 3.46Å; L627-I698 HydrophobicContact CB-CG2 4.35Å; L627-M699 HydrophobicContact CD1-CG 3.39Å; L627-M699 HydrophobicContact CD1-SD 3.68Å
628	Y	94	Very high	94.9	Very high	46 Å²	46	29.8 Å²	29.8	18%	0.18	13%	0.133	C	C	.	.			trans	-77	69.9	-178	-160.7	-94.7	0	0	0	112	A517 L518 R521 E626	A517-Y628 HydrophobicContact CB-CE1 4.28Å; L518-Y628 HydrophobicContact CB-CD1 3.84Å; L518-Y628 HydrophobicContact CB-CE1 4.1Å; L518-Y628 HydrophobicContact CD1-CD1 3.9Å; L518-Y628 HydrophobicContact CD1-CE1 4.47Å; L518-Y628 HydrophobicContact CG-CD1 4.3Å; R521-Y628 PolarHBondContact NE-OH 3.26Å; R521-Y628 PolarHBondContact NH1-OH 2.87Å; R521-Y628 VanDerWaalsContact NH1-OH 3.15Å; R521-Y628 PolarHBondContact NH2-OH 2.94Å; E626-Y628 PolarHBondContact O-N 2.95Å
629	L	96.5	Very high	94.8	Very high	8 Å²	8	32.7 Å²	32.7	4%	0.042	15%	0.148	C	C	.	.			trans	-129.2	117.9	-177.4	-64.4	174.8	0	0	0	110.1	M514 L515 P571 L621 L627 F631 I698	M514-L629 HydrophobicContact CB-CB 4.39Å; M514-L629 HydrophobicContact CE-CB 3.84Å; M514-L629 HydrophobicContact CE-CD1 4.37Å; M514-L629 CarbonylContact O-C 3.43Å; M514-L629 WeakPolarHBondContact O-CA 3.47Å; L515-L629 HydrophobicContact CD2-CD2 3.52Å; L515-L629 HydrophobicContact CG-CD2 4.23Å; P571-L629 HydrophobicContact CG-CD1 4.43Å; L621-L629 HydrophobicContact CD2-CD2 4Å; L621-L629 HydrophobicContact CD2-CG 4.27Å; L627-L629 HydrophobicContact CB-CD1 4.32Å; L627-L629 HydrophobicContact CB-CG 4.47Å; L627-L629 PolarHBondContact O-N 3.5Å; L629-F631 VanDerWaalsContact C-N 3.32Å; L629-F631 WeakPolarHBondContact O-CD1 3.41Å; L629-F631 PolarHBondContact O-N 3.11Å; L629-I698 HydrophobicContact CB-CG2 3.8Å; L629-I698 HydrophobicContact CD1-CG2 4.11Å
630	D	95.1	Very high	94.7	Very high	35 Å²	35	35 Å²	35	19%	0.187	17%	0.166	C	C	.	.			trans	-83.5	70.6	-174.5	-168.1	7.3	0	0	0	111.8	M514 A517 G632 R633 R677	M514-D630 PolarHBondContact O-N 2.85Å; A517-D630 HydrophobicContact CB-CB 4Å; D630-G632 PolarHBondContact O-N 2.88Å; D630-R633 HydrophobicContact CB-CG 4.11Å; D630-R633 PolarHBondContact O-N 3.46Å; D630-R633 VanDerWaalsContact O-N 3.1Å; D630-R633 WeakPolarHBondContact OD2-CG 3.45Å; D630-R633 IonicContact OD2-CZ 3.21Å; D630-R633 IonicContact OD2-NE 3.44Å; D630-R633 PolarHBondContact OD2-NE 3.49Å; D630-R633 IonicContact OD2-NH2 2.69Å; D630-R677 IonicContact OD1-NH2 2.76Å
631	F	94.6	Very high	94.6	Very high	13 Å²	13	33.8 Å²	33.8	6%	0.057	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-55	-20.4	176.3	59.8	-92.7	0	0	0	113.7	M514 L629 R633 Y634 V673 L676 R677 I680 I698 V701	M514-F631 HydrophobicContact CE-CB 3.9Å; L629-F631 VanDerWaalsContact C-N 3.32Å; L629-F631 WeakPolarHBondContact O-CD1 3.41Å; L629-F631 PolarHBondContact O-N 3.11Å; F631-R633 PolarHBondContact O-N 2.88Å; F631-Y634 PolarHBondContact O-N 3.4Å; F631-V673 HydrophobicContact CD2-CB 4.46Å; F631-V673 HydrophobicContact CD2-CG1 4.06Å; F631-V673 HydrophobicContact CD2-CG2 4.18Å; F631-V673 HydrophobicContact CE2-CB 4.46Å; F631-V673 HydrophobicContact CE2-CG1 3.97Å; F631-L676 HydrophobicContact CD1-CD2 4.25Å; F631-L676 HydrophobicContact CD2-CD2 4.12Å; F631-L676 HydrophobicContact CE1-CD2 3.93Å; F631-L676 HydrophobicContact CE1-CG 4.24Å; F631-L676 HydrophobicContact CE2-CB 4.08Å; F631-L676 HydrophobicContact CE2-CD2 3.8Å; F631-L676 HydrophobicContact CE2-CG 4Å; F631-L676 HydrophobicContact CG-CD2 4.35Å; F631-L676 HydrophobicContact CZ-CB 4.17Å; F631-L676 HydrophobicContact CZ-CD2 3.7Å; F631-L676 HydrophobicContact CZ-CG 3.69Å; F631-R677 HydrophobicContact CZ-CB 4.33Å; F631-I680 HydrophobicContact CE1-CD1 3.74Å; F631-I680 HydrophobicContact CZ-CD1 3.87Å; F631-I698 HydrophobicContact CD1-CG1 4.01Å; F631-I698 HydrophobicContact CD1-CG2 4.28Å; F631-I698 HydrophobicContact CE1-CD1 4.42Å; F631-I698 HydrophobicContact CE1-CG1 4.04Å; F631-V701 HydrophobicContact CB-CB 4.48Å; F631-V701 HydrophobicContact CB-CG1 4.25Å; F631-V701 HydrophobicContact CB-CG2 4.01Å
632	G	94.6	Very high	94.5	Very high	8 Å²	8	35.4 Å²	35.4	8%	0.082	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-66.3	-22.5	177.1	0	0	0	0	0	114.4	D630 Y634 S635	D630-G632 PolarHBondContact O-N 2.88Å; G632-Y634 PolarHBondContact O-N 3.28Å; G632-S635 WeakPolarHBondContact O-CB 3.45Å; G632-S635 PolarHBondContact O-N 2.9Å; G632-S635 VanDerWaalsContact O-N 3.11Å
633	R	94.3	Very high	94.4	Very high	58 Å²	58	41.1 Å²	41.1	22%	0.219	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-61.8	-29.1	178.2	-64.5	-57.5	-178.4	154.1	5.7	113.5	P513 D630 F631 S635 E636 E637	P513-R633 HydrophobicContact CB-CB 3.62Å; P513-R633 HydrophobicContact CB-CG 4.46Å; D630-R633 HydrophobicContact CB-CG 4.11Å; D630-R633 PolarHBondContact O-N 3.46Å; D630-R633 VanDerWaalsContact O-N 3.1Å; D630-R633 WeakPolarHBondContact OD2-CG 3.45Å; D630-R633 IonicContact OD2-CZ 3.21Å; D630-R633 IonicContact OD2-NE 3.44Å; D630-R633 PolarHBondContact OD2-NE 3.49Å; D630-R633 IonicContact OD2-NH2 2.69Å; F631-R633 PolarHBondContact O-N 2.88Å; R633-S635 PolarHBondContact O-N 3.16Å; R633-E636 WeakPolarHBondContact CD-OE2 3.5Å; R633-E636 IonicContact CZ-OE2 3.83Å; R633-E636 IonicContact NE-OE2 3.68Å; R633-E636 IonicContact NH1-OE1 3.09Å; R633-E636 IonicContact NH1-OE2 3.61Å; R633-E636 PolarHBondContact NH1-OE2 3.44Å; R633-E636 WeakPolarHBondContact O-CA 3.34Å; R633-E636 WeakPolarHBondContact O-CB 3.48Å; R633-E636 PolarHBondContact O-N 3.49Å; R633-E637 WeakPolarHBondContact O-CG 3.46Å; R633-E637 PolarHBondContact O-N 2.91Å
634	Y	96.1	Very high	94.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-63.3	-25.3	176.7	-86.5	-57.7	0	0	0	113.8	P513 M514 F631 G632 E636 E637 L638 V701 E702 F705 H719 F721 F722	P513-Y634 HydrophobicContact CG-CE1 4.17Å; M514-Y634 HydrophobicContact CG-CD2 4.07Å; M514-Y634 HydrophobicContact CG-CE2 3.84Å; M514-Y634 HydrophobicContact SD-CD2 4.27Å; M514-Y634 HydrophobicContact SD-CE2 3.96Å; F631-Y634 PolarHBondContact O-N 3.4Å; G632-Y634 PolarHBondContact O-N 3.28Å; Y634-E636 VanDerWaalsContact C-N 3.3Å; Y634-E636 PolarHBondContact O-N 2.84Å; Y634-E637 HydrophobicContact CD1-CB 4.38Å; Y634-L638 WeakPolarHBondContact O-CB 3.48Å; Y634-L638 WeakPolarHBondContact O-CG 3.25Å; Y634-L638 PolarHBondContact O-N 3.03Å; Y634-V701 HydrophobicContact CD2-CG1 3.94Å; Y634-E702 VanDerWaalsContact CE2-OE1 3.27Å; Y634-E702 WeakPolarHBondContact CE2-OE1 3.27Å; Y634-E702 VanDerWaalsContact CZ-OE1 3.25Å; Y634-E702 PolarHBondContact OH-OE1 3.16Å; Y634-F705 HydrophobicContact CD1-CD2 4.19Å; Y634-F705 AromaticContact CD1-CE2 3.8Å; Y634-F705 HydrophobicContact CD1-CE2 3.8Å; Y634-F705 HydrophobicContact CD1-CZ 4.33Å; Y634-F705 AromaticContact CD2-CD2 3.96Å; Y634-F705 HydrophobicContact CD2-CD2 3.96Å; Y634-F705 AromaticContact CD2-CE2 3.56Å; Y634-F705 HydrophobicContact CD2-CE2 3.56Å; Y634-F705 HydrophobicContact CE1-CD2 4.27Å; Y634-F705 HydrophobicContact CE1-CE2 4.34Å; Y634-F705 AromaticContact CE2-CD2 3.99Å; Y634-F705 HydrophobicContact CE2-CD2 3.99Å; Y634-F705 HydrophobicContact CE2-CE2 4.08Å; Y634-F705 HydrophobicContact CG-CD2 4.06Å; Y634-F705 AromaticContact CG-CE2 3.39Å; Y634-F705 HydrophobicContact CG-CE2 3.39Å; Y634-F705 HydrophobicContact CG-CZ 4.08Å; Y634-H719 PolarHBondContact OH-CE1 3.28Å; Y634-F721 HydrophobicContact CD1-CD2 4.11Å; Y634-F721 HydrophobicContact CD1-CE1 4.26Å; Y634-F721 AromaticContact CD1-CE2 3.51Å; Y634-F721 HydrophobicContact CD1-CE2 3.51Å; Y634-F721 AromaticContact CD1-CZ 3.6Å; Y634-F721 HydrophobicContact CD1-CZ 3.6Å; Y634-F721 HydrophobicContact CE1-CD1 4.45Å; Y634-F721 AromaticContact CE1-CD2 3.6Å; Y634-F721 HydrophobicContact CE1-CD2 3.6Å; Y634-F721 HydrophobicContact CE1-CE1 4.38Å; Y634-F721 AromaticContact CE1-CE2 3.51Å; Y634-F721 HydrophobicContact CE1-CE2 3.51Å; Y634-F721 HydrophobicContact CE1-CG 4.08Å; Y634-F721 AromaticContact CE1-CZ 3.92Å; Y634-F721 HydrophobicContact CE1-CZ 3.92Å; Y634-F722 WeakPolarHBondContact OH-CE2 3.19Å
635	S	94.9	Very high	94.6	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.021	20%	0.203	C	C	.	.	H	α-helix	trans	-73.7	-21.1	172.6	-56.2	0	0	0	0	114	G632 R633 L639 R666 F669	G632-S635 WeakPolarHBondContact O-CB 3.45Å; G632-S635 PolarHBondContact O-N 2.9Å; G632-S635 VanDerWaalsContact O-N 3.11Å; R633-S635 PolarHBondContact O-N 3.16Å; S635-L639 PolarHBondContact O-N 3.1Å; S635-R666 PolarHBondContact O-NH2 3.15Å; S635-F669 WeakPolarHBondContact OG-CD1 3.34Å
636	E	93.1	Very high	94.7	Very high	105 Å²	105	41.1 Å²	41.1	49%	0.491	20%	0.204	S	C	.	.	H	α-helix	trans	-82	-46.6	172.8	-56.2	179.4	165.4	0	0	110.1	R633 Y634 L638 L639 A640	R633-E636 WeakPolarHBondContact CD-OE2 3.5Å; R633-E636 IonicContact CZ-OE2 3.83Å; R633-E636 IonicContact NE-OE2 3.68Å; R633-E636 IonicContact NH1-OE1 3.09Å; R633-E636 IonicContact NH1-OE2 3.61Å; R633-E636 PolarHBondContact NH1-OE2 3.44Å; R633-E636 WeakPolarHBondContact O-CA 3.34Å; R633-E636 WeakPolarHBondContact O-CB 3.48Å; R633-E636 PolarHBondContact O-N 3.49Å; Y634-E636 VanDerWaalsContact C-N 3.3Å; Y634-E636 PolarHBondContact O-N 2.84Å; E636-L638 PolarHBondContact O-N 3.47Å; E636-L639 WeakPolarHBondContact O-CB 3.39Å; E636-L639 PolarHBondContact O-N 3Å; E636-A640 PolarHBondContact O-N 3.44Å
637	E	94.3	Very high	94.8	Very high	51 Å²	51	43 Å²	43	24%	0.238	21%	0.212	C	C	.	.	H	α-helix	trans	-61.1	-42.3	175.9	-60.4	-73.7	177.1	0	0	111.7	P513 R633 Y634 L639 A640 F641 F721	P513-E637 HydrophobicContact CB-CG 4.2Å; P513-E637 HydrophobicContact CG-CG 3.86Å; R633-E637 WeakPolarHBondContact O-CG 3.46Å; R633-E637 PolarHBondContact O-N 2.91Å; Y634-E637 HydrophobicContact CD1-CB 4.38Å; E637-L639 VanDerWaalsContact C-N 3.29Å; E637-L639 PolarHBondContact O-N 2.94Å; E637-A640 PolarHBondContact O-N 3.43Å; E637-F641 PolarHBondContact O-N 2.96Å; E637-F721 HydrophobicContact CB-CD1 4.42Å; E637-F721 HydrophobicContact CB-CE1 3.75Å; E637-F721 HydrophobicContact CB-CZ 4.35Å
638	L	96.4	Very high	94.7	Very high	6 Å²	6	44 Å²	44	3%	0.031	22%	0.216	C	C	.	.	H	α-helix	trans	-64.7	-30.4	173	-73.4	176.3	0	0	0	113	Y634 E636 Q642 R666 F669 F705 F721 L729 I762	Y634-L638 WeakPolarHBondContact O-CB 3.48Å; Y634-L638 WeakPolarHBondContact O-CG 3.25Å; Y634-L638 PolarHBondContact O-N 3.03Å; E636-L638 PolarHBondContact O-N 3.47Å; L638-Q642 WeakPolarHBondContact O-CB 3.38Å; L638-Q642 PolarHBondContact O-N 3.01Å; L638-Q642 VanDerWaalsContact O-N 3.12Å; L638-R666 HydrophobicContact CB-CG 3.64Å; L638-R666 HydrophobicContact CD1-CG 4.24Å; L638-F669 HydrophobicContact CD1-CB 4.19Å; L638-F669 HydrophobicContact CD1-CD1 3.8Å; L638-F669 HydrophobicContact CD1-CE1 4.48Å; L638-F669 HydrophobicContact CD1-CG 4.03Å; L638-F705 HydrophobicContact CD1-CZ 4.47Å; L638-F721 HydrophobicContact CD2-CE1 4.23Å; L638-F721 HydrophobicContact CD2-CE2 4.44Å; L638-F721 HydrophobicContact CD2-CZ 3.57Å; L638-F721 HydrophobicContact CG-CZ 3.88Å; L638-L729 HydrophobicContact CD2-CD1 4.4Å; L638-I762 HydrophobicContact CD1-CG2 3.92Å; L638-I762 HydrophobicContact CD2-CD1 3.63Å; L638-I762 HydrophobicContact CD2-CG1 4.01Å
639	L	95.9	Very high	94.6	Very high	60 Å²	60	43.4 Å²	43.4	31%	0.314	22%	0.216	S	C	.	.	H	α-helix	trans	-70.3	-42.9	176.7	179.2	58.6	0	0	0	111	S635 E636 E637 F641 Q642 E643	S635-L639 PolarHBondContact O-N 3.1Å; E636-L639 WeakPolarHBondContact O-CB 3.39Å; E636-L639 PolarHBondContact O-N 3Å; E637-L639 VanDerWaalsContact C-N 3.29Å; E637-L639 PolarHBondContact O-N 2.94Å; L639-F641 PolarHBondContact O-N 3.19Å; L639-Q642 WeakPolarHBondContact O-CB 3.44Å; L639-Q642 PolarHBondContact O-N 3.11Å; L639-Q642 VanDerWaalsContact O-N 3.11Å; L639-E643 HydrophobicContact CD1-CG 4.4Å; L639-E643 PolarHBondContact O-N 2.96Å
640	A	93.8	Very high	94.4	Very high	48 Å²	48	49.7 Å²	49.7	40%	0.397	25%	0.245	S	C	.	.	H	α-helix	trans	-57.3	-48.9	177.1	0	0	0	0	0	111.7	E636 E637 Q642 E643 E644	E636-A640 PolarHBondContact O-N 3.44Å; E637-A640 PolarHBondContact O-N 3.43Å; A640-Q642 VanDerWaalsContact C-N 3.33Å; A640-Q642 PolarHBondContact O-N 3.2Å; A640-E643 PolarHBondContact O-N 3.47Å; A640-E644 PolarHBondContact O-N 3.29Å
641	F	95.3	Very high	94.3	Very high	30 Å²	30	50.1 Å²	50.1	13%	0.132	25%	0.246	C	C	.	.	H	α-helix	trans	-61.6	-37.8	174.4	-84.4	-72.7	0	0	0	112.8	E637 L639 E644 F645 F721 L729 L733	E637-F641 PolarHBondContact O-N 2.96Å; L639-F641 PolarHBondContact O-N 3.19Å; F641-E644 PolarHBondContact O-N 3.18Å; F641-F645 HydrophobicContact CB-CD2 4.41Å; F641-F645 HydrophobicContact CB-CE2 3.86Å; F641-F645 HydrophobicContact CB-CZ 4.21Å; F641-F645 HydrophobicContact CD1-CE1 4.48Å; F641-F645 HydrophobicContact CD1-CE2 4.49Å; F641-F645 AromaticContact CD1-CZ 3.99Å; F641-F645 HydrophobicContact CD1-CZ 3.99Å; F641-F645 HydrophobicContact CG-CZ 4.49Å; F641-F645 WeakPolarHBondContact O-CD2 3.47Å; F641-F645 WeakPolarHBondContact O-CG 3.5Å; F641-F645 PolarHBondContact O-N 3.41Å; F641-F721 HydrophobicContact CD2-CD1 4.34Å; F641-F721 HydrophobicContact CD2-CE1 4.19Å; F641-F721 AromaticContact CE2-CD1 3.97Å; F641-F721 HydrophobicContact CE2-CD1 3.97Å; F641-F721 HydrophobicContact CE2-CE1 4.29Å; F641-L729 HydrophobicContact CB-CD2 4.26Å; F641-L729 HydrophobicContact CD1-CB 3.79Å; F641-L729 HydrophobicContact CD2-CB 4.13Å; F641-L729 HydrophobicContact CD2-CD1 3.94Å; F641-L729 HydrophobicContact CD2-CG 4.46Å; F641-L729 HydrophobicContact CE1-CB 3.69Å; F641-L729 HydrophobicContact CE2-CB 4.04Å; F641-L729 HydrophobicContact CE2-CD1 4.15Å; F641-L729 HydrophobicContact CG-CB 4.02Å; F641-L729 HydrophobicContact CG-CD1 4.36Å; F641-L729 HydrophobicContact CG-CD2 4.22Å; F641-L729 HydrophobicContact CG-CG 4.44Å; F641-L729 HydrophobicContact CZ-CB 3.82Å; F641-L733 HydrophobicContact CE1-CD2 4.46Å
642	Q	95.3	Very high	94.1	Very high	34 Å²	34	49.5 Å²	49.5	16%	0.159	24%	0.243	C	C	.	.	H	α-helix	trans	-62.3	-41.2	174.3	165	164	-4.4	0	0	112.4	L638 L639 A640 E644 F645 L646 F663	L638-Q642 WeakPolarHBondContact O-CB 3.38Å; L638-Q642 PolarHBondContact O-N 3.01Å; L638-Q642 VanDerWaalsContact O-N 3.12Å; L639-Q642 WeakPolarHBondContact O-CB 3.44Å; L639-Q642 PolarHBondContact O-N 3.11Å; L639-Q642 VanDerWaalsContact O-N 3.11Å; A640-Q642 VanDerWaalsContact C-N 3.33Å; A640-Q642 PolarHBondContact O-N 3.2Å; Q642-E644 VanDerWaalsContact C-N 3.3Å; Q642-E644 PolarHBondContact O-N 3.49Å; Q642-F645 PolarHBondContact O-N 3.05Å; Q642-L646 HydrophobicContact CG-CD1 4.02Å; Q642-L646 HydrophobicContact CG-CG 4.34Å; Q642-L646 WeakPolarHBondContact O-CB 3.44Å; Q642-L646 VanDerWaalsContact O-CG 3.27Å; Q642-L646 WeakPolarHBondContact O-CG 3.44Å; Q642-L646 PolarHBondContact O-N 3.2Å; Q642-F663 HydrophobicContact CB-CD1 4.27Å; Q642-F663 HydrophobicContact CB-CE1 4.19Å; Q642-F663 HydrophobicContact CG-CD1 3.63Å; Q642-F663 HydrophobicContact CG-CE1 3.58Å; Q642-F663 HydrophobicContact CG-CZ 4.4Å
643	E	95.1	Very high	94.1	Very high	120 Å²	120	53.5 Å²	53.5	56%	0.561	26%	0.259	S	S	*	.	H	α-helix	trans	-63.7	-33.6	176.3	-71.4	-177.4	-176.4	0	0	112.5	L639 A640	L639-E643 HydrophobicContact CD1-CG 4.4Å; L639-E643 PolarHBondContact O-N 2.96Å; A640-E643 PolarHBondContact O-N 3.47Å
644	E	94.8	Very high	93.9	Very high	80 Å²	80	57.7 Å²	57.7	37%	0.374	28%	0.278	S	S	.	.	H	α-helix	trans	-72.4	-45	171.6	-65.4	-161.8	-97.9	0	0	112.6	A640 F641 Q642 L646 Q647 Y648 L733	A640-E644 PolarHBondContact O-N 3.29Å; F641-E644 PolarHBondContact O-N 3.18Å; Q642-E644 VanDerWaalsContact C-N 3.3Å; Q642-E644 PolarHBondContact O-N 3.49Å; E644-L646 PolarHBondContact O-N 2.92Å; E644-Q647 WeakPolarHBondContact O-CB 3.45Å; E644-Q647 WeakPolarHBondContact O-CG 3.33Å; E644-Q647 PolarHBondContact O-N 3.39Å; E644-Y648 WeakPolarHBondContact O-CD2 3.43Å; E644-Y648 WeakPolarHBondContact O-CE2 3.4Å; E644-L733 HydrophobicContact CB-CD1 3.91Å; E644-L733 HydrophobicContact CB-CD2 4.48Å
645	F	94.9	Very high	93.7	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.009	29%	0.292	C	S	.	.	H	α-helix	trans	-64.4	-36.4	179.9	-62.8	-34.4	0	0	0	113.3	F641 Q642 Q647 Y648 L659 L662 L729 L732 L733 L736	F641-F645 HydrophobicContact CB-CD2 4.41Å; F641-F645 HydrophobicContact CB-CE2 3.86Å; F641-F645 HydrophobicContact CB-CZ 4.21Å; F641-F645 HydrophobicContact CD1-CE1 4.48Å; F641-F645 HydrophobicContact CD1-CE2 4.49Å; F641-F645 AromaticContact CD1-CZ 3.99Å; F641-F645 HydrophobicContact CD1-CZ 3.99Å; F641-F645 HydrophobicContact CG-CZ 4.49Å; F641-F645 WeakPolarHBondContact O-CD2 3.47Å; F641-F645 WeakPolarHBondContact O-CG 3.5Å; F641-F645 PolarHBondContact O-N 3.41Å; Q642-F645 PolarHBondContact O-N 3.05Å; F645-Q647 PolarHBondContact O-N 3.12Å; F645-Y648 PolarHBondContact O-N 3.46Å; F645-L659 HydrophobicContact CB-CD1 4.29Å; F645-L659 WeakPolarHBondContact O-CD1 3.38Å; F645-L662 HydrophobicContact CD2-CD2 3.63Å; F645-L662 HydrophobicContact CE2-CD2 3.76Å; F645-L729 HydrophobicContact CE2-CD2 3.74Å; F645-L729 HydrophobicContact CZ-CD2 3.86Å; F645-L732 HydrophobicContact CE1-CB 4.41Å; F645-L732 HydrophobicContact CE1-CD2 4.19Å; F645-L732 HydrophobicContact CE1-CG 4.01Å; F645-L732 HydrophobicContact CE2-CD2 4.27Å; F645-L732 HydrophobicContact CZ-CB 4.41Å; F645-L732 HydrophobicContact CZ-CD2 3.87Å; F645-L732 HydrophobicContact CZ-CG 4.13Å; F645-L733 HydrophobicContact CD1-CD1 4.16Å; F645-L733 HydrophobicContact CE1-CB 3.89Å; F645-L733 HydrophobicContact CE1-CD1 4.22Å; F645-L736 HydrophobicContact CD1-CD1 3.47Å; F645-L736 VanDerWaalsContact CD1-CD1 3.47Å; F645-L736 HydrophobicContact CE1-CD1 4Å; F645-L736 HydrophobicContact CG-CD1 4.24Å
646	L	93.6	Very high	93.5	Very high	83 Å²	83	63.6 Å²	63.6	44%	0.435	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-55.2	-26.3	177.7	-83.2	167.7	0	0	0	113.1	Q642 E644 Y648 D649 F663	Q642-L646 HydrophobicContact CG-CD1 4.02Å; Q642-L646 HydrophobicContact CG-CG 4.34Å; Q642-L646 WeakPolarHBondContact O-CB 3.44Å; Q642-L646 VanDerWaalsContact O-CG 3.27Å; Q642-L646 WeakPolarHBondContact O-CG 3.44Å; Q642-L646 PolarHBondContact O-N 3.2Å; E644-L646 PolarHBondContact O-N 2.92Å; L646-Y648 PolarHBondContact O-N 3.46Å; L646-D649 PolarHBondContact O-N 3.3Å; L646-F663 HydrophobicContact CD2-CE2 3.63Å; L646-F663 HydrophobicContact CD2-CZ 3.6Å; L646-F663 HydrophobicContact CG-CE1 4.43Å; L646-F663 HydrophobicContact CG-CE2 4.32Å; L646-F663 HydrophobicContact CG-CZ 3.81Å
647	Q	94	Very high	93.6	Very high	112 Å²	112	60.1 Å²	60.1	52%	0.523	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-65.1	-18.3	177.1	-55.7	-179.3	30.9	0	0	113.2	E644 F645 K740	E644-Q647 WeakPolarHBondContact O-CB 3.45Å; E644-Q647 WeakPolarHBondContact O-CG 3.33Å; E644-Q647 PolarHBondContact O-N 3.39Å; F645-Q647 PolarHBondContact O-N 3.12Å; Q647-K740 WeakPolarHBondContact O-CE 3.27Å; Q647-K740 PolarHBondContact O-NZ 3.11Å
648	Y	93.1	Very high	93.5	Very high	23 Å²	23	59.7 Å²	59.7	9%	0.09	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-111.8	3.3	-174.2	-54.9	-89.2	0	0	0	113.3	E644 F645 L646 Q650 E651 V652 L733 L736 Q737 K740	E644-Y648 WeakPolarHBondContact O-CD2 3.43Å; E644-Y648 WeakPolarHBondContact O-CE2 3.4Å; F645-Y648 PolarHBondContact O-N 3.46Å; L646-Y648 PolarHBondContact O-N 3.46Å; Y648-Q650 VanDerWaalsContact C-N 3.27Å; Y648-Q650 PolarHBondContact O-N 3.18Å; Y648-E651 WeakPolarHBondContact CA-OE2 3.21Å; Y648-E651 PolarHBondContact O-N 3.39Å; Y648-V652 WeakPolarHBondContact O-CG2 3.47Å; Y648-V652 PolarHBondContact O-N 3.48Å; Y648-L733 HydrophobicContact CE2-CD1 4.32Å; Y648-L736 HydrophobicContact CD1-CB 4.26Å; Y648-L736 VanDerWaalsContact CD1-O 3.24Å; Y648-L736 WeakPolarHBondContact CD1-O 3.4Å; Y648-L736 HydrophobicContact CD2-CB 4.17Å; Y648-L736 WeakPolarHBondContact CE1-O 3.41Å; Y648-L736 HydrophobicContact CG-CB 3.97Å; Y648-Q737 HydrophobicContact CE1-CG 4.42Å; Y648-Q737 WeakPolarHBondContact OH-CG 3.29Å; Y648-K740 HydrophobicContact CD1-CD 3.92Å; Y648-K740 HydrophobicContact CD1-CG 4.08Å; Y648-K740 HydrophobicContact CE1-CD 3.62Å; Y648-K740 HydrophobicContact CE1-CG 4.02Å
649	D	92	Very high	93.4	Very high	33 Å²	33	59.5 Å²	59.5	18%	0.176	31%	0.31	C	S	.	.	H	α-helix	trans	-55	-39.5	-175.5	179.8	63.5	0	0	0	113.2	L646 V652 K653 L659	L646-D649 PolarHBondContact O-N 3.3Å; D649-V652 PolarHBondContact O-N 2.94Å; D649-K653 WeakPolarHBondContact O-CB 3.43Å; D649-K653 WeakPolarHBondContact O-CG 3.33Å; D649-K653 PolarHBondContact O-N 2.99Å; D649-K653 WeakPolarHBondContact OD1-CE 3.48Å; D649-K653 IonicContact OD1-NZ 3.15Å; D649-K653 PolarHBondContact OD1-NZ 2.88Å; D649-K653 WeakPolarHBondContact OD2-CD 3.33Å; D649-K653 IonicContact OD2-NZ 3.22Å; D649-K653 PolarHBondContact OD2-NZ 3.25Å; D649-L659 HydrophobicContact CB-CD1 4.3Å
650	Q	91.9	Very high	93.3	Very high	139 Å²	139	59.5 Å²	59.5	65%	0.65	31%	0.311	S	S	*	.	H	α-helix	trans	-68.9	-35.3	178.6	-63.1	-169.9	10.6	0	0	112.8	Y648 K654	Y648-Q650 VanDerWaalsContact C-N 3.27Å; Y648-Q650 PolarHBondContact O-N 3.18Å; Q650-K654 VanDerWaalsContact O-CD 3.27Å; Q650-K654 WeakPolarHBondContact O-CD 3.48Å; Q650-K654 VanDerWaalsContact O-CE 3.24Å; Q650-K654 WeakPolarHBondContact O-CE 3.21Å; Q650-K654 WeakPolarHBondContact O-CG 3.35Å; Q650-K654 PolarHBondContact O-N 3.4Å
651	E	91.5	Very high	93.3	Very high	44 Å²	44	63.6 Å²	63.6	21%	0.206	32%	0.316	C	S	.	.	H	α-helix	trans	-71.2	-43.3	174.8	-68.9	81	177.2	0	0	111.3	Y648 K653 K654 L655 L739 K740	Y648-E651 WeakPolarHBondContact CA-OE2 3.21Å; Y648-E651 PolarHBondContact O-N 3.39Å; E651-K653 PolarHBondContact O-N 3.04Å; E651-K654 WeakPolarHBondContact O-CB 3.35Å; E651-K654 PolarHBondContact O-N 3.07Å; E651-L655 PolarHBondContact O-N 3.17Å; E651-L739 HydrophobicContact CB-CB 4Å; E651-L739 HydrophobicContact CB-CD1 3.92Å; E651-L739 HydrophobicContact CB-CG 4.44Å; E651-L739 HydrophobicContact CG-CB 4.31Å; E651-K740 HydrophobicContact CG-CG 4.37Å; E651-K740 VanDerWaalsContact OE1-CE 3.24Å; E651-K740 WeakPolarHBondContact OE1-CE 3.33Å
652	V	92.1	Very high	93.2	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-61.1	-44.2	175.3	175	0	0	0	0	110.9	Y648 D649 K654 L655 L657 L659 L736 L739 M755	Y648-V652 WeakPolarHBondContact O-CG2 3.47Å; Y648-V652 PolarHBondContact O-N 3.48Å; D649-V652 PolarHBondContact O-N 2.94Å; V652-K654 VanDerWaalsContact C-N 3.34Å; V652-K654 PolarHBondContact O-N 3.38Å; V652-L655 WeakPolarHBondContact O-CB 3.44Å; V652-L655 PolarHBondContact O-N 3.41Å; V652-L657 HydrophobicContact CG1-CB 3.54Å; V652-L657 PolarHBondContact O-N 3.47Å; V652-L659 HydrophobicContact CG1-CG 4.3Å; V652-L736 HydrophobicContact CG2-CD2 3.5Å; V652-L736 VanDerWaalsContact CG2-CD2 3.5Å; V652-L739 HydrophobicContact CG2-CD1 4.06Å; V652-M755 HydrophobicContact CG1-CE 4.04Å; V652-M755 HydrophobicContact CG1-SD 4.45Å
653	K	93.1	Very high	93.1	Very high	93 Å²	93	62.5 Å²	62.5	40%	0.404	31%	0.311	S	S	.	.	H	α-helix	trans	-65.7	-30.5	176.8	-77.4	166.9	175.2	152.1	0	113.6	D649 E651 L655 G656 L657 D660	D649-K653 WeakPolarHBondContact O-CB 3.43Å; D649-K653 WeakPolarHBondContact O-CG 3.33Å; D649-K653 PolarHBondContact O-N 2.99Å; D649-K653 WeakPolarHBondContact OD1-CE 3.48Å; D649-K653 IonicContact OD1-NZ 3.15Å; D649-K653 PolarHBondContact OD1-NZ 2.88Å; D649-K653 WeakPolarHBondContact OD2-CD 3.33Å; D649-K653 IonicContact OD2-NZ 3.22Å; D649-K653 PolarHBondContact OD2-NZ 3.25Å; E651-K653 PolarHBondContact O-N 3.04Å; K653-L655 PolarHBondContact O-N 3.18Å; K653-G656 PolarHBondContact O-N 2.9Å; K653-G656 VanDerWaalsContact O-N 3.13Å; K653-L657 WeakPolarHBondContact CA-O 3.46Å; K653-D660 IonicContact NZ-OD1 2.73Å
654	K	91.8	Very high	93.1	Very high	146 Å²	146	61 Å²	61	64%	0.635	30%	0.303	S	S	*	.	H	α-helix	trans	-66.2	-21.8	171.4	-70.7	158.7	-159.1	155.5	0	113.2	Q650 E651 V652 G656	Q650-K654 VanDerWaalsContact O-CD 3.27Å; Q650-K654 WeakPolarHBondContact O-CD 3.48Å; Q650-K654 VanDerWaalsContact O-CE 3.24Å; Q650-K654 WeakPolarHBondContact O-CE 3.21Å; Q650-K654 WeakPolarHBondContact O-CG 3.35Å; Q650-K654 PolarHBondContact O-N 3.4Å; E651-K654 WeakPolarHBondContact O-CB 3.35Å; E651-K654 PolarHBondContact O-N 3.07Å; V652-K654 VanDerWaalsContact C-N 3.34Å; V652-K654 PolarHBondContact O-N 3.38Å; K654-G656 VanDerWaalsContact C-N 3.34Å
655	L	90.1	Very high	93.1	Very high	56 Å²	56	57.3 Å²	57.3	29%	0.293	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	3.1	174.1	-62.6	179.5	0	0	0	113.6	E651 V652 K653 L657 L739 V748 L751	E651-L655 PolarHBondContact O-N 3.17Å; V652-L655 WeakPolarHBondContact O-CB 3.44Å; V652-L655 PolarHBondContact O-N 3.41Å; K653-L655 PolarHBondContact O-N 3.18Å; L655-L657 VanDerWaalsContact C-N 3.31Å; L655-L657 HydrophobicContact CB-CD1 4.34Å; L655-L657 HydrophobicContact CB-CG 4.26Å; L655-L739 HydrophobicContact CD1-CD2 3.6Å; L655-V748 HydrophobicContact CD1-CG1 4.47Å; L655-V748 HydrophobicContact CD1-CG2 4.16Å; L655-V748 HydrophobicContact CD2-CG2 4.27Å; L655-L751 HydrophobicContact CD1-CD2 4.17Å
656	G	92.3	Very high	93.1	Very high	71 Å²	71	59.5 Å²	59.5	73%	0.732	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.9	24.9	-174.6	0	0	0	0	0	113.4	K653 K654	K653-G656 PolarHBondContact O-N 2.9Å; K653-G656 VanDerWaalsContact O-N 3.13Å; K654-G656 VanDerWaalsContact C-N 3.34Å
657	L	93.7	Very high	93.1	Very high	32 Å²	32	56.6 Å²	56.6	17%	0.168	29%	0.285	C	S	.	.			trans	-111.1	167	177.2	-59.6	-179.6	0	0	0	110.4	V652 K653 L655 L751 K752 M755	V652-L657 HydrophobicContact CG1-CB 3.54Å; V652-L657 PolarHBondContact O-N 3.47Å; K653-L657 WeakPolarHBondContact CA-O 3.46Å; L655-L657 VanDerWaalsContact C-N 3.31Å; L655-L657 HydrophobicContact CB-CD1 4.34Å; L655-L657 HydrophobicContact CB-CG 4.26Å; L657-L751 HydrophobicContact CD1-CD2 4.32Å; L657-K752 HydrophobicContact CD1-CG 4.03Å; L657-K752 HydrophobicContact CD2-CD 4.29Å; L657-K752 HydrophobicContact CD2-CG 3.67Å; L657-M755 HydrophobicContact CB-CE 4.36Å; L657-M755 HydrophobicContact CD1-SD 4.15Å
658	T	94.1	Very high	93.1	Very high	42 Å²	42	52.1 Å²	52.1	26%	0.258	27%	0.265	S	S	.	.			trans	-141.1	150.5	170.7	-170.1	0	0	0	0	112.3	D660 M755	T658-D660 HydrophobicContact CG2-CB 4.3Å; T658-D660 PolarHBondContact OG1-N 2.95Å; T658-D660 PolarHBondContact OG1-OD1 3.21Å; T658-D660 PolarHBondContact OG1-OD2 3.43Å; T658-M755 WeakPolarHBondContact O-CE 3.47Å
659	L	94.2	Very high	93.2	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	26%	0.26	C	S	.	.	S	Bend	trans	-89.9	-8.1	171.1	-66.1	166.1	0	0	0	112.6	F645 D649 V652 W661 L662 F663 M755	F645-L659 HydrophobicContact CB-CD1 4.29Å; F645-L659 WeakPolarHBondContact O-CD1 3.38Å; D649-L659 HydrophobicContact CB-CD1 4.3Å; V652-L659 HydrophobicContact CG1-CG 4.3Å; L659-W661 VanDerWaalsContact C-N 3.27Å; L659-W661 PolarHBondContact O-N 3.34Å; L659-W661 VanDerWaalsContact O-N 3.14Å; L659-L662 HydrophobicContact CD2-CD2 4.43Å; L659-L662 WeakPolarHBondContact O-CB 3.44Å; L659-L662 PolarHBondContact O-N 2.98Å; L659-F663 HydrophobicContact CB-CD2 4.34Å; L659-F663 HydrophobicContact CB-CE1 4.09Å; L659-F663 HydrophobicContact CB-CE2 3.62Å; L659-F663 HydrophobicContact CB-CZ 3.48Å; L659-F663 VanDerWaalsContact CB-CZ 3.48Å; L659-F663 HydrophobicContact CD1-CZ 3.96Å; L659-F663 HydrophobicContact CG-CZ 4.3Å; L659-F663 PolarHBondContact O-N 3.21Å; L659-M755 HydrophobicContact CD2-CE 4.08Å
660	D	93.4	Very high	93.4	Very high	61 Å²	61	52 Å²	52	33%	0.326	26%	0.264	S	S	.	.	H	α-helix	trans	-54.7	-40.8	-171.2	-52.4	-40	0	0	0	112.5	K653 T658 L662 F663 F664	K653-D660 IonicContact NZ-OD1 2.73Å; T658-D660 HydrophobicContact CG2-CB 4.3Å; T658-D660 PolarHBondContact OG1-N 2.95Å; T658-D660 PolarHBondContact OG1-OD1 3.21Å; T658-D660 PolarHBondContact OG1-OD2 3.43Å; D660-L662 VanDerWaalsContact C-N 3.31Å; D660-L662 PolarHBondContact O-N 3.27Å; D660-F663 PolarHBondContact O-N 2.95Å; D660-F663 VanDerWaalsContact O-N 3.11Å; D660-F664 HydrophobicContact CB-CE2 3.94Å; D660-F664 HydrophobicContact CB-CZ 4.2Å; D660-F664 VanDerWaalsContact O-CD2 3.25Å; D660-F664 WeakPolarHBondContact O-CD2 3.47Å; D660-F664 VanDerWaalsContact O-CG 3.27Å; D660-F664 WeakPolarHBondContact O-CG 3.4Å; D660-F664 PolarHBondContact O-N 3.03Å
661	W	92.8	Very high	93.5	Very high	133 Å²	133	50.7 Å²	50.7	50%	0.504	25%	0.253	S	S	.	.	H	α-helix	trans	-60.9	-35	177.2	-73.7	70.2	0	0	0	113.7	L659 A665 T759 F780	L659-W661 VanDerWaalsContact C-N 3.27Å; L659-W661 PolarHBondContact O-N 3.34Å; L659-W661 VanDerWaalsContact O-N 3.14Å; W661-A665 WeakPolarHBondContact O-CB 3.4Å; W661-A665 PolarHBondContact O-N 3.46Å; W661-T759 HydrophobicContact CB-CG2 3.99Å; W661-T759 WeakPolarHBondContact O-CG2 3.33Å; W661-F780 AromaticContact CE3-CE1 3.94Å; W661-F780 HydrophobicContact CE3-CE1 3.94Å; W661-F780 HydrophobicContact CE3-CZ 4.24Å; W661-F780 HydrophobicContact CH2-CE1 4.41Å; W661-F780 HydrophobicContact CH2-CZ 4.29Å; W661-F780 AromaticContact CZ3-CE1 3.78Å; W661-F780 HydrophobicContact CZ3-CE1 3.78Å; W661-F780 HydrophobicContact CZ3-CE2 4.39Å; W661-F780 AromaticContact CZ3-CZ 3.67Å; W661-F780 HydrophobicContact CZ3-CZ 3.67Å
662	L	93.8	Very high	93.6	Very high	10 Å²	10	48.9 Å²	48.9	5%	0.052	25%	0.245	C	C	.	.	H	α-helix	trans	-69.8	-38.6	175.9	179.1	60	0	0	0	110.7	F645 L659 D660 A665 R666 L732 V758 I762	F645-L662 HydrophobicContact CD2-CD2 3.63Å; F645-L662 HydrophobicContact CE2-CD2 3.76Å; L659-L662 HydrophobicContact CD2-CD2 4.43Å; L659-L662 WeakPolarHBondContact O-CB 3.44Å; L659-L662 PolarHBondContact O-N 2.98Å; D660-L662 VanDerWaalsContact C-N 3.31Å; D660-L662 PolarHBondContact O-N 3.27Å; L662-A665 PolarHBondContact O-N 2.93Å; L662-R666 WeakPolarHBondContact O-CB 3.46Å; L662-R666 PolarHBondContact O-N 2.82Å; L662-L732 HydrophobicContact CD2-CD2 4.44Å; L662-V758 HydrophobicContact CD1-CG1 3.8Å; L662-I762 HydrophobicContact CD1-CD1 3.58Å
663	F	94.1	Very high	93.8	Very high	31 Å²	31	48.9 Å²	48.9	14%	0.136	25%	0.245	C	C	.	.	H	α-helix	trans	-70.8	-36.3	176.9	-53.4	-28.7	0	0	0	111.9	Q642 L646 L659 D660 R666 G667	Q642-F663 HydrophobicContact CB-CD1 4.27Å; Q642-F663 HydrophobicContact CB-CE1 4.19Å; Q642-F663 HydrophobicContact CG-CD1 3.63Å; Q642-F663 HydrophobicContact CG-CE1 3.58Å; Q642-F663 HydrophobicContact CG-CZ 4.4Å; L646-F663 HydrophobicContact CD2-CE2 3.63Å; L646-F663 HydrophobicContact CD2-CZ 3.6Å; L646-F663 HydrophobicContact CG-CE1 4.43Å; L646-F663 HydrophobicContact CG-CE2 4.32Å; L646-F663 HydrophobicContact CG-CZ 3.81Å; L659-F663 HydrophobicContact CB-CD2 4.34Å; L659-F663 HydrophobicContact CB-CE1 4.09Å; L659-F663 HydrophobicContact CB-CE2 3.62Å; L659-F663 HydrophobicContact CB-CZ 3.48Å; L659-F663 VanDerWaalsContact CB-CZ 3.48Å; L659-F663 HydrophobicContact CD1-CZ 3.96Å; L659-F663 HydrophobicContact CG-CZ 4.3Å; L659-F663 PolarHBondContact O-N 3.21Å; D660-F663 PolarHBondContact O-N 2.95Å; D660-F663 VanDerWaalsContact O-N 3.11Å; F663-R666 PolarHBondContact O-N 3Å; F663-G667 PolarHBondContact O-N 2.99Å
664	F	93.9	Very high	93.8	Very high	89 Å²	89	47.2 Å²	47.2	39%	0.39	24%	0.241	S	C	.	.	H	α-helix	trans	-63	-50.5	170.1	-60.2	-37.8	0	0	0	111.3	D660 R666 G667 D668 F780	D660-F664 HydrophobicContact CB-CE2 3.94Å; D660-F664 HydrophobicContact CB-CZ 4.2Å; D660-F664 VanDerWaalsContact O-CD2 3.25Å; D660-F664 WeakPolarHBondContact O-CD2 3.47Å; D660-F664 VanDerWaalsContact O-CG 3.27Å; D660-F664 WeakPolarHBondContact O-CG 3.4Å; D660-F664 PolarHBondContact O-N 3.03Å; F664-R666 VanDerWaalsContact C-N 3.29Å; F664-R666 PolarHBondContact O-N 2.73Å; F664-G667 CarbonylContact O-C 3.54Å; F664-G667 WeakPolarHBondContact O-CA 3.36Å; F664-G667 PolarHBondContact O-N 2.77Å; F664-D668 PolarHBondContact O-N 3.05Å; F664-F780 HydrophobicContact CD2-CD1 4.3Å
665	A	94.6	Very high	93.9	Very high	3 Å²	3	40.9 Å²	40.9	3%	0.025	22%	0.217	C	C	.	.	H	α-helix	trans	-56.3	-40.9	176.7	0	0	0	0	0	112.7	W661 L662 D668 F669 T759 I762 K763	W661-A665 WeakPolarHBondContact O-CB 3.4Å; W661-A665 PolarHBondContact O-N 3.46Å; L662-A665 PolarHBondContact O-N 2.93Å; A665-D668 PolarHBondContact O-N 3.1Å; A665-F669 PolarHBondContact O-N 2.83Å; A665-T759 HydrophobicContact CB-CG2 4.14Å; A665-I762 HydrophobicContact CB-CB 4.15Å; A665-I762 HydrophobicContact CB-CG2 3.95Å; A665-I762 WeakPolarHBondContact O-CG2 3.46Å; A665-K763 HydrophobicContact CB-CB 4.02Å
666	R	95.4	Very high	94.1	Very high	47 Å²	47	38.2 Å²	38.2	18%	0.177	20%	0.203	C	C	.	.	H	α-helix	trans	-63.7	-40.9	172.7	-178.8	-89.1	165.7	177	-9.9	112.3	S635 L638 L662 F663 F664 D668 F669 Q670	S635-R666 PolarHBondContact O-NH2 3.15Å; L638-R666 HydrophobicContact CB-CG 3.64Å; L638-R666 HydrophobicContact CD1-CG 4.24Å; L662-R666 WeakPolarHBondContact O-CB 3.46Å; L662-R666 PolarHBondContact O-N 2.82Å; F663-R666 PolarHBondContact O-N 3Å; F664-R666 VanDerWaalsContact C-N 3.29Å; F664-R666 PolarHBondContact O-N 2.73Å; R666-D668 VanDerWaalsContact C-N 3.34Å; R666-F669 PolarHBondContact O-N 3.19Å; R666-Q670 PolarHBondContact O-N 2.8Å; R666-Q670 VanDerWaalsContact O-N 3.1Å
667	G	94.3	Very high	94.2	Very high	22 Å²	22	39.9 Å²	39.9	23%	0.227	19%	0.187	C	C	.	.	H	α-helix	trans	-65.2	-35.6	175.1	0	0	0	0	0	112.9	F663 F664 Q670 R671	F663-G667 PolarHBondContact O-N 2.99Å; F664-G667 CarbonylContact O-C 3.54Å; F664-G667 WeakPolarHBondContact O-CA 3.36Å; F664-G667 PolarHBondContact O-N 2.77Å; G667-Q670 PolarHBondContact O-N 3.47Å; G667-R671 WeakPolarHBondContact O-CG 3.45Å; G667-R671 PolarHBondContact O-N 3.35Å; G667-R671 PolarHBondContact O-NH1 3.37Å
668	D	93.6	Very high	94.2	Very high	19 Å²	19	45.6 Å²	45.6	10%	0.102	21%	0.206	C	C	.	.	H	α-helix	trans	-68.8	-42.8	176.2	-63	-8.1	0	0	0	111	F664 A665 R666 Q670 R671 A672 K763 A766	F664-D668 PolarHBondContact O-N 3.05Å; A665-D668 PolarHBondContact O-N 3.1Å; R666-D668 VanDerWaalsContact C-N 3.34Å; D668-Q670 VanDerWaalsContact C-N 3.33Å; D668-Q670 PolarHBondContact O-N 2.82Å; D668-R671 VanDerWaalsContact CA-NH1 3.32Å; D668-R671 PolarHBondContact O-N 3.01Å; D668-R671 VanDerWaalsContact O-N 3.16Å; D668-R671 IonicContact OD1-CZ 2.74Å; D668-R671 IonicContact OD1-NH1 3.74Å; D668-R671 PolarHBondContact OD1-NH1 3.44Å; D668-R671 IonicContact OD1-NH2 3.62Å; D668-R671 PolarHBondContact OD1-NH2 2.87Å; D668-A672 PolarHBondContact O-N 3.27Å; D668-K763 HydrophobicContact CB-CD 4.36Å; D668-K763 VanDerWaalsContact OD2-CD 3.27Å; D668-K763 WeakPolarHBondContact OD2-CD 3.11Å; D668-K763 WeakPolarHBondContact OD2-CE 3.47Å; D668-K763 IonicContact OD2-NZ 3.96Å; D668-K763 PolarHBondContact OD2-NZ 3.13Å; D668-A766 HydrophobicContact CB-CB 3.92Å
669	F	95.5	Very high	94.2	Very high	1 Å²	1	46.6 Å²	46.6	0%	0.004	21%	0.21	C	C	.	.	H	α-helix	trans	-59.1	-44.4	173.6	-173.4	-94.2	0	0	0	111.5	S635 L638 A665 R666 R671 A672 V673 V701 F705 I762 A765 A766 L769	S635-F669 WeakPolarHBondContact OG-CD1 3.34Å; L638-F669 HydrophobicContact CD1-CB 4.19Å; L638-F669 HydrophobicContact CD1-CD1 3.8Å; L638-F669 HydrophobicContact CD1-CE1 4.48Å; L638-F669 HydrophobicContact CD1-CG 4.03Å; A665-F669 PolarHBondContact O-N 2.83Å; R666-F669 PolarHBondContact O-N 3.19Å; F669-R671 PolarHBondContact O-N 3.45Å; F669-A672 PolarHBondContact O-N 2.77Å; F669-V673 HydrophobicContact CD1-CG2 3.91Å; F669-V673 HydrophobicContact CE1-CG2 3.47Å; F669-V673 VanDerWaalsContact CE1-CG2 3.47Å; F669-V673 HydrophobicContact CZ-CG2 3.81Å; F669-V673 WeakPolarHBondContact O-CB 3.37Å; F669-V673 WeakPolarHBondContact O-CG2 3.44Å; F669-V673 PolarHBondContact O-N 2.95Å; F669-V701 HydrophobicContact CZ-CG1 4.18Å; F669-F705 AromaticContact CD2-CZ 3.96Å; F669-F705 HydrophobicContact CD2-CZ 3.96Å; F669-F705 HydrophobicContact CE1-CZ 4.09Å; F669-F705 HydrophobicContact CE2-CE1 4.38Å; F669-F705 AromaticContact CE2-CE2 3.88Å; F669-F705 HydrophobicContact CE2-CE2 3.88Å; F669-F705 AromaticContact CE2-CZ 3.44Å; F669-F705 HydrophobicContact CE2-CZ 3.44Å; F669-F705 VanDerWaalsContact CE2-CZ 3.44Å; F669-F705 HydrophobicContact CG-CZ 4.5Å; F669-F705 AromaticContact CZ-CE2 3.75Å; F669-F705 HydrophobicContact CZ-CE2 3.75Å; F669-F705 AromaticContact CZ-CZ 3.52Å; F669-F705 HydrophobicContact CZ-CZ 3.52Å; F669-I762 HydrophobicContact CB-CG2 4.31Å; F669-A765 HydrophobicContact CD2-CB 4.22Å; F669-A765 HydrophobicContact CE2-CB 4.23Å; F669-A766 HydrophobicContact CB-CB 4.06Å; F669-A766 HydrophobicContact CD2-CB 4.45Å; F669-L769 HydrophobicContact CE2-CD2 4.09Å; F669-L769 HydrophobicContact CZ-CD2 4.33Å
670	Q	95.4	Very high	94.1	Very high	53 Å²	53	47.2 Å²	47.2	25%	0.248	21%	0.213	C	C	.	.	H	α-helix	trans	-57.8	-46.6	173	179	69.3	66.3	0	0	112	R666 G667 D668 A672 V673 D674	R666-Q670 PolarHBondContact O-N 2.8Å; R666-Q670 VanDerWaalsContact O-N 3.1Å; G667-Q670 PolarHBondContact O-N 3.47Å; D668-Q670 VanDerWaalsContact C-N 3.33Å; D668-Q670 PolarHBondContact O-N 2.82Å; Q670-A672 VanDerWaalsContact C-N 3.33Å; Q670-A672 PolarHBondContact O-N 2.86Å; Q670-V673 PolarHBondContact O-N 3.08Å; Q670-D674 PolarHBondContact NE2-OD1 3.19Å; Q670-D674 PolarHBondContact NE2-OD2 2.95Å; Q670-D674 PolarHBondContact O-N 3.18Å
671	R	93.6	Very high	94	Very high	110 Å²	110	49.4 Å²	49.4	42%	0.415	23%	0.229	S	C	.	.	H	α-helix	trans	-62.9	-37.4	177.7	-68.7	-161.4	-56.4	-59.6	13.8	112.2	G667 D668 F669 G675 D777	G667-R671 WeakPolarHBondContact O-CG 3.45Å; G667-R671 PolarHBondContact O-N 3.35Å; G667-R671 PolarHBondContact O-NH1 3.37Å; D668-R671 VanDerWaalsContact CA-NH1 3.32Å; D668-R671 PolarHBondContact O-N 3.01Å; D668-R671 VanDerWaalsContact O-N 3.16Å; D668-R671 IonicContact OD1-CZ 2.74Å; D668-R671 IonicContact OD1-NH1 3.74Å; D668-R671 PolarHBondContact OD1-NH1 3.44Å; D668-R671 IonicContact OD1-NH2 3.62Å; D668-R671 PolarHBondContact OD1-NH2 2.87Å; F669-R671 PolarHBondContact O-N 3.45Å; R671-G675 PolarHBondContact O-N 3.28Å; R671-D777 IonicContact CZ-OD2 2.68Å; R671-D777 IonicContact NE-OD2 3.57Å; R671-D777 PolarHBondContact NE-OD2 3.11Å; R671-D777 IonicContact NH2-OD2 2.67Å; R671-D777 PolarHBondContact NH2-OD2 3.23Å
672	A	94.3	Very high	94.1	Very high	6 Å²	6	49.4 Å²	49.4	5%	0.05	24%	0.239	C	C	.	.	H	α-helix	trans	-69	-41	176.4	0	0	0	0	0	112.7	D668 F669 Q670 G675 L676 A766 L769 V770	D668-A672 PolarHBondContact O-N 3.27Å; F669-A672 PolarHBondContact O-N 2.77Å; Q670-A672 VanDerWaalsContact C-N 3.33Å; Q670-A672 PolarHBondContact O-N 2.86Å; A672-G675 WeakPolarHBondContact O-CA 3.29Å; A672-G675 PolarHBondContact O-N 2.69Å; A672-L676 PolarHBondContact O-N 3.38Å; A672-A766 WeakPolarHBondContact CB-O 3.4Å; A672-L769 HydrophobicContact CB-CB 4.09Å; A672-L769 HydrophobicContact CB-CD2 4.23Å; A672-L769 HydrophobicContact CB-CG 4.29Å; A672-V770 HydrophobicContact CB-CG2 3.93Å
673	V	95.1	Very high	93.9	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-58.7	-47.9	172.1	163.4	0	0	0	0	111.2	F631 F669 Q670 G675 L676 R677 L769	F631-V673 HydrophobicContact CD2-CB 4.46Å; F631-V673 HydrophobicContact CD2-CG1 4.06Å; F631-V673 HydrophobicContact CD2-CG2 4.18Å; F631-V673 HydrophobicContact CE2-CB 4.46Å; F631-V673 HydrophobicContact CE2-CG1 3.97Å; F669-V673 HydrophobicContact CD1-CG2 3.91Å; F669-V673 HydrophobicContact CE1-CG2 3.47Å; F669-V673 VanDerWaalsContact CE1-CG2 3.47Å; F669-V673 HydrophobicContact CZ-CG2 3.81Å; F669-V673 WeakPolarHBondContact O-CB 3.37Å; F669-V673 WeakPolarHBondContact O-CG2 3.44Å; F669-V673 PolarHBondContact O-N 2.95Å; Q670-V673 PolarHBondContact O-N 3.08Å; V673-G675 VanDerWaalsContact C-N 3.26Å; V673-G675 PolarHBondContact O-N 2.83Å; V673-L676 PolarHBondContact O-N 3.38Å; V673-R677 WeakPolarHBondContact O-CB 3.14Å; V673-R677 PolarHBondContact O-N 2.98Å; V673-L769 HydrophobicContact CG2-CD2 3.74Å
674	D	94.3	Very high	93.7	Very high	59 Å²	59	53.1 Å²	53.1	32%	0.316	26%	0.262	S	S	.	.	H	α-helix	trans	-72.2	-20.7	177.7	-67.3	-39.1	0	0	0	112.6	Q670 R677 R678	Q670-D674 PolarHBondContact NE2-OD1 3.19Å; Q670-D674 PolarHBondContact NE2-OD2 2.95Å; Q670-D674 PolarHBondContact O-N 3.18Å; D674-R677 IonicContact OD1-NH1 3.7Å; D674-R678 VanDerWaalsContact O-CG 3.31Å; D674-R678 WeakPolarHBondContact O-CG 3.24Å; D674-R678 PolarHBondContact O-N 3Å; D674-R678 PolarHBondContact O-NE 2.92Å
675	G	93.6	Very high	93.1	Very high	12 Å²	12	55.5 Å²	55.5	12%	0.124	27%	0.274	C	S	.	.	H	α-helix	trans	-61.5	-66.9	162.5	0	0	0	0	0	111.5	R671 A672 V673 R677 R678 D679	R671-G675 PolarHBondContact O-N 3.28Å; A672-G675 WeakPolarHBondContact O-CA 3.29Å; A672-G675 PolarHBondContact O-N 2.69Å; V673-G675 VanDerWaalsContact C-N 3.26Å; V673-G675 PolarHBondContact O-N 2.83Å; G675-R677 PolarHBondContact O-N 3.34Å; G675-R677 VanDerWaalsContact O-N 3.15Å; G675-R678 WeakPolarHBondContact O-CA 3.33Å; G675-R678 WeakPolarHBondContact O-CB 3.36Å; G675-R678 PolarHBondContact O-N 3.45Å; G675-D679 VanDerWaalsContact O-CG 3.29Å; G675-D679 PolarHBondContact O-N 3.25Å
676	L	94.1	Very high	92.5	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-53.9	-39.4	-178.5	176.9	59.8	0	0	0	112.6	F631 A672 V673 R678 D679 I680 L694 R697 I698 L769	F631-L676 HydrophobicContact CD1-CD2 4.25Å; F631-L676 HydrophobicContact CD2-CD2 4.12Å; F631-L676 HydrophobicContact CE1-CD2 3.93Å; F631-L676 HydrophobicContact CE1-CG 4.24Å; F631-L676 HydrophobicContact CE2-CB 4.08Å; F631-L676 HydrophobicContact CE2-CD2 3.8Å; F631-L676 HydrophobicContact CE2-CG 4Å; F631-L676 HydrophobicContact CG-CD2 4.35Å; F631-L676 HydrophobicContact CZ-CB 4.17Å; F631-L676 HydrophobicContact CZ-CD2 3.7Å; F631-L676 HydrophobicContact CZ-CG 3.69Å; A672-L676 PolarHBondContact O-N 3.38Å; V673-L676 PolarHBondContact O-N 3.38Å; L676-R678 VanDerWaalsContact C-N 3.34Å; L676-R678 PolarHBondContact O-N 3.2Å; L676-D679 WeakPolarHBondContact O-CB 3.36Å; L676-D679 PolarHBondContact O-N 3.18Å; L676-I680 HydrophobicContact CD1-CD1 3.89Å; L676-I680 HydrophobicContact CD1-CG1 4.06Å; L676-I680 HydrophobicContact CG-CD1 3.8Å; L676-I680 HydrophobicContact CG-CG1 4.41Å; L676-I680 WeakPolarHBondContact O-CB 3.46Å; L676-I680 VanDerWaalsContact O-CG1 3.26Å; L676-I680 WeakPolarHBondContact O-CG1 3.4Å; L676-I680 PolarHBondContact O-N 3.49Å; L676-L694 HydrophobicContact CD1-CD2 3.69Å; L676-R697 HydrophobicContact CD1-CB 4.23Å; L676-R697 HydrophobicContact CD2-CB 4.37Å; L676-I698 HydrophobicContact CD2-CG1 3.98Å; L676-L769 HydrophobicContact CD2-CD1 3.55Å; L676-L769 HydrophobicContact CD2-CG 4.41Å
677	R	94.7	Very high	92.3	Very high	106 Å²	106	58 Å²	58	40%	0.4	30%	0.301	S	S	.	.	H	α-helix	trans	-64.3	-34.8	176.5	-174.6	175.3	-79.6	155.5	-11.2	113	D630 F631 V673 D674 G675 T681	D630-R677 IonicContact OD1-NH2 2.76Å; F631-R677 HydrophobicContact CZ-CB 4.33Å; V673-R677 WeakPolarHBondContact O-CB 3.14Å; V673-R677 PolarHBondContact O-N 2.98Å; D674-R677 IonicContact OD1-NH1 3.7Å; G675-R677 PolarHBondContact O-N 3.34Å; G675-R677 VanDerWaalsContact O-N 3.15Å; R677-T681 WeakPolarHBondContact O-CB 3.36Å; R677-T681 PolarHBondContact O-N 3.38Å; R677-T681 PolarHBondContact O-OG1 3.36Å
678	R	93.9	Very high	92	Very high	153 Å²	153	61 Å²	61	58%	0.577	32%	0.319	S	S	*	.	H	α-helix	trans	-70.1	-42.6	170.7	-74.9	175.5	-69.5	150	-0.8	111.2	D674 G675 L676 I680 T681 N682	D674-R678 VanDerWaalsContact O-CG 3.31Å; D674-R678 WeakPolarHBondContact O-CG 3.24Å; D674-R678 PolarHBondContact O-N 3Å; D674-R678 PolarHBondContact O-NE 2.92Å; G675-R678 WeakPolarHBondContact O-CA 3.33Å; G675-R678 WeakPolarHBondContact O-CB 3.36Å; G675-R678 PolarHBondContact O-N 3.45Å; L676-R678 VanDerWaalsContact C-N 3.34Å; L676-R678 PolarHBondContact O-N 3.2Å; R678-I680 VanDerWaalsContact C-N 3.31Å; R678-I680 PolarHBondContact O-N 3.19Å; R678-T681 PolarHBondContact O-N 2.87Å; R678-T681 VanDerWaalsContact O-N 3.13Å; R678-N682 WeakPolarHBondContact O-CB 3.4Å; R678-N682 VanDerWaalsContact O-CG 3.25Å; R678-N682 PolarHBondContact O-N 3.48Å; R678-N682 PolarHBondContact O-ND2 3.02Å
679	D	92.8	Very high	91.9	Very high	63 Å²	63	65.4 Å²	65.4	34%	0.337	35%	0.346	S	S	.	.	H	α-helix	trans	-59.2	-43.3	178.4	-53.7	-23.3	0	0	0	111.4	G675 L676 N682 S683 L694 R697	G675-D679 VanDerWaalsContact O-CG 3.29Å; G675-D679 PolarHBondContact O-N 3.25Å; L676-D679 WeakPolarHBondContact O-CB 3.36Å; L676-D679 PolarHBondContact O-N 3.18Å; D679-N682 PolarHBondContact O-N 3.25Å; D679-S683 WeakPolarHBondContact O-CB 3.4Å; D679-S683 PolarHBondContact O-N 3.32Å; D679-S683 VanDerWaalsContact O-N 3.13Å; D679-S683 PolarHBondContact O-OG 3.01Å; D679-L694 HydrophobicContact CB-CD2 3.82Å; D679-R697 IonicContact OD2-CZ 2.68Å; D679-R697 IonicContact OD2-NH1 3.23Å; D679-R697 PolarHBondContact OD2-NH1 2.73Å; D679-R697 IonicContact OD2-NH2 3.79Å; D679-R697 PolarHBondContact OD2-NH2 3.15Å
680	I	92.3	Very high	91.7	Very high	14 Å²	14	68.7 Å²	68.7	7%	0.072	36%	0.363	C	S	.	.	H	α-helix	trans	-63	-40.3	175	-71.9	166.8	0	0	0	112	E626 F631 L676 R678 S683 R691 L694 I698	E626-I680 WeakPolarHBondContact OE2-CG2 3.36Å; F631-I680 HydrophobicContact CE1-CD1 3.74Å; F631-I680 HydrophobicContact CZ-CD1 3.87Å; L676-I680 HydrophobicContact CD1-CD1 3.89Å; L676-I680 HydrophobicContact CD1-CG1 4.06Å; L676-I680 HydrophobicContact CG-CD1 3.8Å; L676-I680 HydrophobicContact CG-CG1 4.41Å; L676-I680 WeakPolarHBondContact O-CB 3.46Å; L676-I680 VanDerWaalsContact O-CG1 3.26Å; L676-I680 WeakPolarHBondContact O-CG1 3.4Å; L676-I680 PolarHBondContact O-N 3.49Å; R678-I680 VanDerWaalsContact C-N 3.31Å; R678-I680 PolarHBondContact O-N 3.19Å; I680-S683 PolarHBondContact O-OG 3.23Å; I680-R691 PolarHBondContact O-NH2 2.7Å; I680-L694 HydrophobicContact CG1-CB 4.41Å; I680-L694 HydrophobicContact CG1-CD1 4.22Å; I680-L694 HydrophobicContact CG1-CD2 4.26Å; I680-I698 HydrophobicContact CD1-CD1 3.9Å; I680-I698 HydrophobicContact CD1-CG1 4.32Å
681	T	92.8	Very high	91.6	Very high	106 Å²	106	67 Å²	67	65%	0.65	35%	0.354	S	S	*	.	H	α-helix	trans	-74.2	-33.1	-179.1	-54.6	0	0	0	0	112.4	R677 R678	R677-T681 WeakPolarHBondContact O-CB 3.36Å; R677-T681 PolarHBondContact O-N 3.38Å; R677-T681 PolarHBondContact O-OG1 3.36Å; R678-T681 PolarHBondContact O-N 2.87Å; R678-T681 VanDerWaalsContact O-N 3.13Å
682	N	93.1	Very high	91.6	Very high	133 Å²	133	65.5 Å²	65.5	71%	0.711	35%	0.349	S	S	*	.	H	α-helix	trans	-94.3	-6.2	-174.3	-65.4	-27.7	0	0	0	114.1	R678 D679	R678-N682 WeakPolarHBondContact O-CB 3.4Å; R678-N682 VanDerWaalsContact O-CG 3.25Å; R678-N682 PolarHBondContact O-N 3.48Å; R678-N682 PolarHBondContact O-ND2 3.02Å; D679-N682 PolarHBondContact O-N 3.25Å
683	S	91.3	Very high	91.6	Very high	22 Å²	22	67.8 Å²	67.8	15%	0.154	37%	0.368	C	S	.	.	S	Bend	trans	-93.4	147.2	-177.5	47.9	0	0	0	0	112.9	D679 I680 E685 R691 L694	D679-S683 WeakPolarHBondContact O-CB 3.4Å; D679-S683 PolarHBondContact O-N 3.32Å; D679-S683 VanDerWaalsContact O-N 3.13Å; D679-S683 PolarHBondContact O-OG 3.01Å; I680-S683 PolarHBondContact O-OG 3.23Å; S683-E685 PolarHBondContact O-N 2.96Å; S683-R691 PolarHBondContact O-NH2 2.69Å; S683-R691 PolarHBondContact OG-NH2 2.98Å; S683-R691 VanDerWaalsContact OG-NH2 3.16Å; S683-L694 VanDerWaalsContact OG-CD1 3.23Å; S683-L694 WeakPolarHBondContact OG-CD1 3.48Å
684	D	88.9	Confident	91.5	Very high	97 Å²	97	68.3 Å²	68.3	52%	0.519	37%	0.371	S	S	.	.			trans	-59.2	131.3	175.1	176.4	28.1	0	0	0	111.8	G686 N687 R691	D684-G686 VanDerWaalsContact C-N 3.3Å; D684-G686 VanDerWaalsContact CG-N 3.31Å; D684-G686 PolarHBondContact OD1-N 2.88Å; D684-N687 HydrophobicContact CB-CB 4.08Å; D684-N687 WeakPolarHBondContact OD2-CB 3.38Å; D684-N687 PolarHBondContact OD2-N 3.2Å; D684-R691 PolarHBondContact O-NE 3.5Å; D684-R691 VanDerWaalsContact O-NE 3.15Å
685	E	81.2	Confident	91.6	Very high	139 Å²	139	65.7 Å²	65.7	65%	0.65	36%	0.356	S	S	*	.	S	Bend	trans	-73.2	-23.7	172.1	-68.5	-171.5	-179.5	0	0	112.4	R625 S683	R625-E685 WeakPolarHBondContact CD-O 3.41Å; R625-E685 PolarHBondContact NH1-O 2.85Å; S683-E685 PolarHBondContact O-N 2.96Å
686	G	82.7	Confident	91.6	Very high	44 Å²	44	67.7 Å²	67.7	45%	0.454	36%	0.364	S	S	.	.	S	Bend	trans	-72.8	-29	177.1	0	0	0	0	0	113.9	D684 S688	D684-G686 VanDerWaalsContact C-N 3.3Å; D684-G686 VanDerWaalsContact CG-N 3.31Å; D684-G686 PolarHBondContact OD1-N 2.88Å; G686-S688 PolarHBondContact O-N 2.67Å
687	N	90.8	Very high	91.6	Very high	58 Å²	58	69.9 Å²	69.9	31%	0.31	37%	0.372	S	S	.	.			trans	-82.1	98.3	-173.7	-168.2	-39	0	0	0	112.4	D684 V689 I690 R691	D684-N687 HydrophobicContact CB-CB 4.08Å; D684-N687 WeakPolarHBondContact OD2-CB 3.38Å; D684-N687 PolarHBondContact OD2-N 3.2Å; N687-V689 VanDerWaalsContact C-N 3.27Å; N687-V689 PolarHBondContact O-N 2.89Å; N687-V689 WeakPolarHBondContact OD1-CB 3.49Å; N687-V689 PolarHBondContact OD1-N 3.31Å; N687-V689 VanDerWaalsContact OD1-N 3.07Å; N687-I690 HydrophobicContact CB-CB 4.25Å; N687-I690 HydrophobicContact CB-CD1 4.12Å; N687-I690 HydrophobicContact CB-CG1 4.28Å; N687-I690 WeakPolarHBondContact ND2-CD1 3.29Å; N687-I690 PolarHBondContact O-N 3.17Å; N687-I690 PolarHBondContact OD1-N 3.36Å; N687-R691 WeakPolarHBondContact O-CB 3.42Å; N687-R691 WeakPolarHBondContact O-CG 3.39Å; N687-R691 PolarHBondContact O-N 2.86Å
688	S	87.9	Confident	91.7	Very high	87 Å²	87	64.9 Å²	64.9	61%	0.608	35%	0.354	S	S	*	.	H	α-helix	trans	-60.2	-30.5	178.7	55.4	0	0	0	0	114.2	G686 R692	G686-S688 PolarHBondContact O-N 2.67Å; S688-R692 WeakPolarHBondContact O-CB 3.01Å; S688-R692 PolarHBondContact O-N 2.74Å
689	V	91.5	Very high	91.7	Very high	110 Å²	110	57.9 Å²	57.9	67%	0.667	33%	0.328	S	S	*	.	H	α-helix	trans	-71.8	-46.2	179.9	-177.4	0	0	0	0	110.7	N687 R692 A693	N687-V689 VanDerWaalsContact C-N 3.27Å; N687-V689 PolarHBondContact O-N 2.89Å; N687-V689 WeakPolarHBondContact OD1-CB 3.49Å; N687-V689 PolarHBondContact OD1-N 3.31Å; N687-V689 VanDerWaalsContact OD1-N 3.07Å; V689-R692 PolarHBondContact O-N 3.07Å; V689-A693 PolarHBondContact O-N 3.22Å
690	I	92.4	Very high	91.7	Very high	70 Å²	70	58.3 Å²	58.3	36%	0.359	33%	0.327	S	S	.	.	H	α-helix	trans	-65.3	-45.6	176.4	-62.9	174.7	0	0	0	110	N687 R692 A693 L694	N687-I690 HydrophobicContact CB-CB 4.25Å; N687-I690 HydrophobicContact CB-CD1 4.12Å; N687-I690 HydrophobicContact CB-CG1 4.28Å; N687-I690 WeakPolarHBondContact ND2-CD1 3.29Å; N687-I690 PolarHBondContact O-N 3.17Å; N687-I690 PolarHBondContact OD1-N 3.36Å; I690-R692 VanDerWaalsContact C-N 3.33Å; I690-R692 PolarHBondContact O-N 3.35Å; I690-A693 PolarHBondContact O-N 3.42Å; I690-L694 HydrophobicContact CG2-CD1 3.92Å; I690-L694 HydrophobicContact CG2-CG 4.43Å; I690-L694 WeakPolarHBondContact O-CG 3.06Å; I690-L694 PolarHBondContact O-N 3.42Å
691	R	91.9	Very high	91.9	Very high	17 Å²	17	57.9 Å²	57.9	6%	0.064	32%	0.324	C	S	.	.	H	α-helix	trans	-63	-38	179.7	-69.7	-74.4	163.3	179.1	-6.1	112.3	E626 I680 S683 D684 N687 L694 N695	E626-R691 IonicContact OE2-NH1 3.55Å; E626-R691 PolarHBondContact OE2-NH1 3.06Å; I680-R691 PolarHBondContact O-NH2 2.7Å; S683-R691 PolarHBondContact O-NH2 2.69Å; S683-R691 PolarHBondContact OG-NH2 2.98Å; S683-R691 VanDerWaalsContact OG-NH2 3.16Å; D684-R691 PolarHBondContact O-NE 3.5Å; D684-R691 VanDerWaalsContact O-NE 3.15Å; N687-R691 WeakPolarHBondContact O-CB 3.42Å; N687-R691 WeakPolarHBondContact O-CG 3.39Å; N687-R691 PolarHBondContact O-N 2.86Å; R691-L694 PolarHBondContact O-N 3.25Å; R691-N695 WeakPolarHBondContact O-CB 3.38Å; R691-N695 PolarHBondContact O-N 2.88Å; R691-N695 PolarHBondContact O-ND2 2.69Å; R691-N695 VanDerWaalsContact O-ND2 3.17Å
692	R	93.8	Very high	92.1	Very high	79 Å²	79	52.8 Å²	52.8	30%	0.298	29%	0.293	S	S	.	.	H	α-helix	trans	-62.9	-45.2	171.6	179.6	170.3	171.6	121.8	-0.5	112.7	E411 D413 S688 V689 I690 L694 N695 D696	E411-R692 WeakPolarHBondContact OE1-CB 3.33Å; E411-R692 WeakPolarHBondContact OE1-CG 3.48Å; D413-R692 IonicContact OD1-CZ 2.69Å; D413-R692 IonicContact OD1-NH1 3.83Å; D413-R692 PolarHBondContact OD1-NH1 2.8Å; D413-R692 IonicContact OD1-NH2 3.69Å; D413-R692 PolarHBondContact OD1-NH2 3.43Å; D413-R692 IonicContact OD2-CZ 3.43Å; D413-R692 IonicContact OD2-NH1 2.69Å; D413-R692 IonicContact OD2-NH2 2.69Å; D413-R692 PolarHBondContact OD2-NH2 3.19Å; S688-R692 WeakPolarHBondContact O-CB 3.01Å; S688-R692 PolarHBondContact O-N 2.74Å; V689-R692 PolarHBondContact O-N 3.07Å; I690-R692 VanDerWaalsContact C-N 3.33Å; I690-R692 PolarHBondContact O-N 3.35Å; R692-L694 VanDerWaalsContact C-N 3.29Å; R692-L694 PolarHBondContact O-N 3.46Å; R692-N695 PolarHBondContact O-N 2.7Å; R692-D696 WeakPolarHBondContact O-CB 3.44Å; R692-D696 PolarHBondContact O-N 3.02Å
693	A	93.4	Very high	92.2	Very high	55 Å²	55	49 Å²	49	46%	0.455	27%	0.269	S	S	.	.	H	α-helix	trans	-62.5	-35.5	177.5	0	0	0	0	0	112.8	V689 I690 R697	V689-A693 PolarHBondContact O-N 3.22Å; I690-A693 PolarHBondContact O-N 3.42Å; A693-R697 PolarHBondContact O-N 2.9Å
694	L	94.3	Very high	92.4	Very high	11 Å²	11	49.2 Å²	49.2	6%	0.058	27%	0.269	C	S	.	.	H	α-helix	trans	-71.1	-42.9	173.5	-65.9	168.4	0	0	0	112	L676 D679 I680 S683 I690 R691 R692 D696 R697 I698	L676-L694 HydrophobicContact CD1-CD2 3.69Å; D679-L694 HydrophobicContact CB-CD2 3.82Å; I680-L694 HydrophobicContact CG1-CB 4.41Å; I680-L694 HydrophobicContact CG1-CD1 4.22Å; I680-L694 HydrophobicContact CG1-CD2 4.26Å; S683-L694 VanDerWaalsContact OG-CD1 3.23Å; S683-L694 WeakPolarHBondContact OG-CD1 3.48Å; I690-L694 HydrophobicContact CG2-CD1 3.92Å; I690-L694 HydrophobicContact CG2-CG 4.43Å; I690-L694 WeakPolarHBondContact O-CG 3.06Å; I690-L694 PolarHBondContact O-N 3.42Å; R691-L694 PolarHBondContact O-N 3.25Å; R692-L694 VanDerWaalsContact C-N 3.29Å; R692-L694 PolarHBondContact O-N 3.46Å; L694-D696 VanDerWaalsContact C-N 3.31Å; L694-D696 PolarHBondContact O-N 2.9Å; L694-R697 PolarHBondContact O-N 2.82Å; L694-I698 WeakPolarHBondContact O-CG1 3.4Å; L694-I698 PolarHBondContact O-N 3.04Å
695	N	95.4	Very high	92.8	Very high	3 Å²	3	44.6 Å²	44.6	2%	0.016	24%	0.244	C	C	.	.	H	α-helix	trans	-58.6	-42.6	173.6	-71.7	-28.8	0	0	0	111.7	R459 R625 L627 R691 R692 R697 I698 M699	R459-N695 PolarHBondContact NH2-ND2 3.34Å; R625-N695 PolarHBondContact O-ND2 2.9Å; L627-N695 HydrophobicContact CD1-CB 3.88Å; L627-N695 HydrophobicContact CG-CB 4.23Å; L627-N695 PolarHBondContact N-OD1 3.46Å; R691-N695 WeakPolarHBondContact O-CB 3.38Å; R691-N695 PolarHBondContact O-N 2.88Å; R691-N695 PolarHBondContact O-ND2 2.69Å; R691-N695 VanDerWaalsContact O-ND2 3.17Å; R692-N695 PolarHBondContact O-N 2.7Å; N695-R697 VanDerWaalsContact C-N 3.35Å; N695-R697 PolarHBondContact O-N 2.97Å; N695-I698 PolarHBondContact O-N 2.98Å; N695-M699 WeakPolarHBondContact O-CG 3.49Å; N695-M699 PolarHBondContact O-N 2.96Å
696	D	94.9	Very high	93.5	Very high	55 Å²	55	38.2 Å²	38.2	29%	0.294	21%	0.214	S	C	.	.	H	α-helix	trans	-64.8	-35.8	177.5	-75.2	-15.4	0	0	0	111.9	R414 R692 L694 K700	R414-D696 IonicContact CZ-OD1 3.32Å; R414-D696 IonicContact NE-OD1 2.97Å; R414-D696 PolarHBondContact NE-OD1 2.75Å; R414-D696 IonicContact NH2-OD1 2.7Å; R414-D696 PolarHBondContact NH2-OD1 3.39Å; R414-D696 IonicContact NH2-OD2 3.44Å; R414-D696 PolarHBondContact NH2-OD2 2.94Å; R692-D696 WeakPolarHBondContact O-CB 3.44Å; R692-D696 PolarHBondContact O-N 3.02Å; L694-D696 VanDerWaalsContact C-N 3.31Å; L694-D696 PolarHBondContact O-N 2.9Å; D696-K700 PolarHBondContact O-N 3.36Å
697	R	94.4	Very high	94.1	Very high	45 Å²	45	36.1 Å²	36.1	17%	0.17	19%	0.193	C	C	.	.	H	α-helix	trans	-64.7	-45.3	169.4	-77.3	169.6	69.9	-159.5	-0.4	112	L676 D679 A693 L694 N695 M699 K700 L769	L676-R697 HydrophobicContact CD1-CB 4.23Å; L676-R697 HydrophobicContact CD2-CB 4.37Å; D679-R697 IonicContact OD2-CZ 2.68Å; D679-R697 IonicContact OD2-NH1 3.23Å; D679-R697 PolarHBondContact OD2-NH1 2.73Å; D679-R697 IonicContact OD2-NH2 3.79Å; D679-R697 PolarHBondContact OD2-NH2 3.15Å; A693-R697 PolarHBondContact O-N 2.9Å; L694-R697 PolarHBondContact O-N 2.82Å; N695-R697 VanDerWaalsContact C-N 3.35Å; N695-R697 PolarHBondContact O-N 2.97Å; R697-M699 PolarHBondContact O-N 3.44Å; R697-K700 PolarHBondContact O-N 2.91Å; R697-L769 PolarHBondContact NE-O 3.05Å; R697-L769 PolarHBondContact NH2-O 2.83Å
698	I	95.5	Very high	94.2	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-59	-45.6	177.7	-66.5	166.1	0	0	0	111	M514 L627 L629 F631 L676 I680 L694 N695 K700 V701	M514-I698 HydrophobicContact CE-CG2 4.2Å; M514-I698 WeakPolarHBondContact CE-O 3.22Å; L627-I698 HydrophobicContact CB-CG2 4.35Å; L629-I698 HydrophobicContact CB-CG2 3.8Å; L629-I698 HydrophobicContact CD1-CG2 4.11Å; F631-I698 HydrophobicContact CD1-CG1 4.01Å; F631-I698 HydrophobicContact CD1-CG2 4.28Å; F631-I698 HydrophobicContact CE1-CD1 4.42Å; F631-I698 HydrophobicContact CE1-CG1 4.04Å; L676-I698 HydrophobicContact CD2-CG1 3.98Å; I680-I698 HydrophobicContact CD1-CD1 3.9Å; I680-I698 HydrophobicContact CD1-CG1 4.32Å; L694-I698 WeakPolarHBondContact O-CG1 3.4Å; L694-I698 PolarHBondContact O-N 3.04Å; N695-I698 PolarHBondContact O-N 2.98Å; I698-K700 VanDerWaalsContact C-N 3.26Å; I698-K700 PolarHBondContact O-N 3.21Å; I698-V701 PolarHBondContact O-N 2.76Å
699	M	94.4	Very high	94.4	Very high	6 Å²	6	38.7 Å²	38.7	3%	0.03	20%	0.197	C	C	.	.	H	α-helix	trans	-62	-32.3	-179.6	-74.1	173.3	53.6	0	0	113.5	R414 H488 F492 L627 N695 R697 V701	R414-M699 VanDerWaalsContact CD-SD 3.52Å; H488-M699 WeakPolarHBondContact O-CE 3.4Å; F492-M699 HydrophobicContact CB-CE 3.95Å; F492-M699 HydrophobicContact CB-CG 3.67Å; F492-M699 HydrophobicContact CB-SD 3.79Å; L627-M699 HydrophobicContact CD1-CG 3.39Å; L627-M699 HydrophobicContact CD1-SD 3.68Å; N695-M699 WeakPolarHBondContact O-CG 3.49Å; N695-M699 PolarHBondContact O-N 2.96Å; R697-M699 PolarHBondContact O-N 3.44Å; M699-V701 VanDerWaalsContact C-N 3.35Å; M699-V701 PolarHBondContact O-N 3.5Å
700	K	93.6	Very high	94.3	Very high	73 Å²	73	35.6 Å²	35.6	32%	0.317	18%	0.176	S	C	.	.	H	α-helix	trans	-75.4	-23	-172.5	-153.8	177.6	170.2	-78.7	0	113.5	D696 R697 I698 E702 Y703 D704	D696-K700 PolarHBondContact O-N 3.36Å; R697-K700 PolarHBondContact O-N 2.91Å; I698-K700 VanDerWaalsContact C-N 3.26Å; I698-K700 PolarHBondContact O-N 3.21Å; K700-E702 VanDerWaalsContact C-N 3.33Å; K700-E702 PolarHBondContact O-N 2.93Å; K700-Y703 PolarHBondContact O-N 2.87Å; K700-D704 WeakPolarHBondContact CG-OD2 3.28Å; K700-D704 IonicContact NZ-OD1 2.89Å; K700-D704 PolarHBondContact NZ-OD1 3.07Å; K700-D704 IonicContact NZ-OD2 2.75Å; K700-D704 PolarHBondContact NZ-OD2 3.38Å; K700-D704 PolarHBondContact O-N 3.37Å
701	V	95.8	Very high	93.9	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.024	18%	0.176	C	C	.	.	H	α-helix	trans	-51.3	-48	-178	175.8	0	0	0	0	112.6	M514 F631 Y634 F669 I698 M699 Y703 F705 L769	M514-V701 HydrophobicContact CE-CB 4.17Å; M514-V701 HydrophobicContact CE-CG1 4.49Å; M514-V701 HydrophobicContact SD-CB 4.1Å; M514-V701 HydrophobicContact SD-CG1 3.98Å; F631-V701 HydrophobicContact CB-CB 4.48Å; F631-V701 HydrophobicContact CB-CG1 4.25Å; F631-V701 HydrophobicContact CB-CG2 4.01Å; Y634-V701 HydrophobicContact CD2-CG1 3.94Å; F669-V701 HydrophobicContact CZ-CG1 4.18Å; I698-V701 PolarHBondContact O-N 2.76Å; M699-V701 VanDerWaalsContact C-N 3.35Å; M699-V701 PolarHBondContact O-N 3.5Å; V701-Y703 VanDerWaalsContact C-N 3.34Å; V701-Y703 PolarHBondContact O-N 3.06Å; V701-F705 HydrophobicContact CG1-CD2 4.46Å; V701-F705 HydrophobicContact CG1-CE2 4.03Å; V701-F705 WeakPolarHBondContact O-CD2 3.44Å; V701-L769 HydrophobicContact CG2-CD1 3.54Å; V701-L769 HydrophobicContact CG2-CD2 4.26Å; V701-L769 HydrophobicContact CG2-CG 4.5Å
702	E	96.2	Very high	93.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-66.4	-36.3	-179.5	-165.1	85.1	-85.9	0	0	112.2	S512 M514 L565 G569 P571 Y634 K700 H719	S512-E702 WeakPolarHBondContact CB-OE2 3.43Å; S512-E702 PolarHBondContact OG-OE2 3.01Å; M514-E702 HydrophobicContact SD-CB 4.16Å; L565-E702 HydrophobicContact CD1-CG 3.74Å; G569-E702 WeakPolarHBondContact O-CB 3.27Å; G569-E702 WeakPolarHBondContact O-CG 3.43Å; P571-E702 WeakPolarHBondContact CA-OE2 3.33Å; P571-E702 WeakPolarHBondContact CB-OE2 3.49Å; P571-E702 HydrophobicContact CG-CB 3.97Å; P571-E702 HydrophobicContact CG-CG 3.99Å; P571-E702 VanDerWaalsContact CG-OE2 3.31Å; P571-E702 WeakPolarHBondContact CG-OE2 3.28Å; Y634-E702 VanDerWaalsContact CE2-OE1 3.27Å; Y634-E702 WeakPolarHBondContact CE2-OE1 3.27Å; Y634-E702 VanDerWaalsContact CZ-OE1 3.25Å; Y634-E702 PolarHBondContact OH-OE1 3.16Å; K700-E702 VanDerWaalsContact C-N 3.33Å; K700-E702 PolarHBondContact O-N 2.93Å; E702-H719 IonicContact OE1-NE2 2.62Å; E702-H719 PolarHBondContact OE1-NE2 2.91Å
703	Y	95.9	Very high	92.7	Very high	52 Å²	52	37.4 Å²	37.4	20%	0.204	20%	0.195	C	C	.	.	H	α-helix	trans	-74.3	-36.6	179.7	179.2	-94.8	0	0	0	112.8	H488 G569 K700 V701 F705 L706	H488-Y703 HydrophobicContact CB-CD2 3.69Å; H488-Y703 HydrophobicContact CB-CG 3.9Å; H488-Y703 AromaticContact CD2-CD1 3.94Å; H488-Y703 AromaticContact CD2-CG 3.71Å; H488-Y703 AromaticContact CE1-CD1 3.92Å; H488-Y703 AromaticContact CE1-CD2 3.86Å; H488-Y703 AromaticContact CE1-CE1 3.72Å; H488-Y703 AromaticContact CE1-CE2 3.65Å; H488-Y703 AromaticContact CE1-CG 3.98Å; H488-Y703 AromaticContact CE1-CZ 3.58Å; H488-Y703 AromaticContact CG-CD2 3.38Å; H488-Y703 AromaticContact CG-CE2 3.92Å; H488-Y703 AromaticContact CG-CG 3.46Å; H488-Y703 VanDerWaalsContact CG-CG 3.46Å; H488-Y703 AromaticContact ND1-CD2 3.22Å; H488-Y703 WeakPolarHBondContact ND1-CD2 3.47Å; H488-Y703 AromaticContact ND1-CE2 3.23Å; H488-Y703 WeakPolarHBondContact ND1-CE2 3.22Å; H488-Y703 AromaticContact ND1-CG 3.64Å; H488-Y703 AromaticContact ND1-CZ 3.69Å; H488-Y703 AromaticContact NE2-CD1 3.88Å; G569-Y703 PolarHBondContact O-N 3.45Å; K700-Y703 PolarHBondContact O-N 2.87Å; V701-Y703 VanDerWaalsContact C-N 3.34Å; V701-Y703 PolarHBondContact O-N 3.06Å; Y703-F705 PolarHBondContact O-N 3.29Å; Y703-L706 HydrophobicContact CD2-CD1 3.59Å; Y703-L706 HydrophobicContact CD2-CG 4.46Å; Y703-L706 HydrophobicContact CE2-CD1 3.71Å; Y703-L706 HydrophobicContact CG-CD1 4.43Å; Y703-L706 VanDerWaalsContact O-CB 3.26Å; Y703-L706 WeakPolarHBondContact O-CB 3.26Å; Y703-L706 VanDerWaalsContact O-CG 3.32Å; Y703-L706 WeakPolarHBondContact O-CG 3.4Å; Y703-L706 PolarHBondContact O-N 2.98Å
704	D	95.6	Very high	91.9	Very high	27 Å²	27	39.9 Å²	39.9	14%	0.144	20%	0.201	C	C	.	.	H	α-helix	trans	-71.4	-12	179.5	-68.7	-35.6	0	0	0	113.4	K700 L706 A765 A768	K700-D704 WeakPolarHBondContact CG-OD2 3.28Å; K700-D704 IonicContact NZ-OD1 2.89Å; K700-D704 PolarHBondContact NZ-OD1 3.07Å; K700-D704 IonicContact NZ-OD2 2.75Å; K700-D704 PolarHBondContact NZ-OD2 3.38Å; K700-D704 PolarHBondContact O-N 3.37Å; D704-L706 VanDerWaalsContact C-N 3.32Å; D704-A765 HydrophobicContact CB-CB 3.8Å; D704-A768 WeakPolarHBondContact OD2-CB 3.44Å
705	F	97	Very high	91.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	0.1	167	-73	-56.2	0	0	0	114.4	Y634 L638 F669 V701 Y703 H719 I720 F721 I762 A765	Y634-F705 HydrophobicContact CD1-CD2 4.19Å; Y634-F705 AromaticContact CD1-CE2 3.8Å; Y634-F705 HydrophobicContact CD1-CE2 3.8Å; Y634-F705 HydrophobicContact CD1-CZ 4.33Å; Y634-F705 AromaticContact CD2-CD2 3.96Å; Y634-F705 HydrophobicContact CD2-CD2 3.96Å; Y634-F705 AromaticContact CD2-CE2 3.56Å; Y634-F705 HydrophobicContact CD2-CE2 3.56Å; Y634-F705 HydrophobicContact CE1-CD2 4.27Å; Y634-F705 HydrophobicContact CE1-CE2 4.34Å; Y634-F705 AromaticContact CE2-CD2 3.99Å; Y634-F705 HydrophobicContact CE2-CD2 3.99Å; Y634-F705 HydrophobicContact CE2-CE2 4.08Å; Y634-F705 HydrophobicContact CG-CD2 4.06Å; Y634-F705 AromaticContact CG-CE2 3.39Å; Y634-F705 HydrophobicContact CG-CE2 3.39Å; Y634-F705 HydrophobicContact CG-CZ 4.08Å; L638-F705 HydrophobicContact CD1-CZ 4.47Å; F669-F705 AromaticContact CD2-CZ 3.96Å; F669-F705 HydrophobicContact CD2-CZ 3.96Å; F669-F705 HydrophobicContact CE1-CZ 4.09Å; F669-F705 HydrophobicContact CE2-CE1 4.38Å; F669-F705 AromaticContact CE2-CE2 3.88Å; F669-F705 HydrophobicContact CE2-CE2 3.88Å; F669-F705 AromaticContact CE2-CZ 3.44Å; F669-F705 HydrophobicContact CE2-CZ 3.44Å; F669-F705 VanDerWaalsContact CE2-CZ 3.44Å; F669-F705 HydrophobicContact CG-CZ 4.5Å; F669-F705 AromaticContact CZ-CE2 3.75Å; F669-F705 HydrophobicContact CZ-CE2 3.75Å; F669-F705 AromaticContact CZ-CZ 3.52Å; F669-F705 HydrophobicContact CZ-CZ 3.52Å; V701-F705 HydrophobicContact CG1-CD2 4.46Å; V701-F705 HydrophobicContact CG1-CE2 4.03Å; V701-F705 WeakPolarHBondContact O-CD2 3.44Å; Y703-F705 PolarHBondContact O-N 3.29Å; F705-H719 CarbonylContact O-C 3.41Å; F705-H719 WeakPolarHBondContact O-CA 3.5Å; F705-I720 HydrophobicContact CB-CG1 4.37Å; F705-I720 HydrophobicContact CD1-CD1 3.74Å; F705-I720 HydrophobicContact CD1-CG1 4.08Å; F705-I720 HydrophobicContact CE1-CD1 4.3Å; F705-I720 PolarHBondContact O-N 3.46Å; F705-F721 HydrophobicContact CD1-CD2 4.48Å; F705-F721 AromaticContact CD1-CE2 3.79Å; F705-F721 HydrophobicContact CD1-CE2 3.79Å; F705-F721 HydrophobicContact CD2-CE2 4.23Å; F705-F721 AromaticContact CE1-CE2 3.93Å; F705-F721 HydrophobicContact CE1-CE2 3.93Å; F705-F721 HydrophobicContact CE2-CE2 4.36Å; F705-F721 HydrophobicContact CG-CD2 4.35Å; F705-F721 AromaticContact CG-CE2 3.94Å; F705-F721 HydrophobicContact CG-CE2 3.94Å; F705-F721 HydrophobicContact CZ-CE2 4.21Å; F705-I762 HydrophobicContact CE1-CG1 4.46Å; F705-A765 HydrophobicContact CD1-CB 4.24Å; F705-A765 HydrophobicContact CE1-CB 4Å; F705-A765 HydrophobicContact CZ-CB 4.33Å
706	L	95.6	Very high	91	Very high	5 Å²	5	42 Å²	42	3%	0.026	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-78.8	118.8	163.9	-56	-178.4	0	0	0	109.9	Y567 Y703 D704 P708 R718 H719	Y567-L706 WeakPolarHBondContact O-CD1 3.39Å; Y703-L706 HydrophobicContact CD2-CD1 3.59Å; Y703-L706 HydrophobicContact CD2-CG 4.46Å; Y703-L706 HydrophobicContact CE2-CD1 3.71Å; Y703-L706 HydrophobicContact CG-CD1 4.43Å; Y703-L706 VanDerWaalsContact O-CB 3.26Å; Y703-L706 WeakPolarHBondContact O-CB 3.26Å; Y703-L706 VanDerWaalsContact O-CG 3.32Å; Y703-L706 WeakPolarHBondContact O-CG 3.4Å; Y703-L706 PolarHBondContact O-N 2.98Å; D704-L706 VanDerWaalsContact C-N 3.32Å; L706-P708 VanDerWaalsContact O-CD 3.27Å; L706-P708 WeakPolarHBondContact O-CD 3.49Å; L706-P708 VanDerWaalsContact O-N 3.08Å; L706-R718 HydrophobicContact CB-CB 4.19Å; L706-H719 HydrophobicContact CD2-CB 3.69Å
707	S	94.9	Very high	90.8	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.206	C	C	.	.			trans	-52.1	116.8	176	177.6	0	0	0	0	111.2	Y709 R718	S707-Y709 VanDerWaalsContact C-N 3.25Å; S707-Y709 PolarHBondContact O-N 3.03Å; S707-R718 PolarHBondContact N-O 3.28Å; S707-R718 PolarHBondContact O-NH1 3.49Å
708	P	92.9	Very high	90.7	Very high	84 Å²	84	38.9 Å²	38.9	55%	0.545	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-11.4	-179.9	32.8	-36	0	0	0	112.4	L706 L710	L706-P708 VanDerWaalsContact O-CD 3.27Å; L706-P708 WeakPolarHBondContact O-CD 3.49Å; L706-P708 VanDerWaalsContact O-N 3.08Å; P708-L710 VanDerWaalsContact C-N 3.31Å
709	Y	92.7	Very high	90.8	Very high	115 Å²	115	38.8 Å²	38.8	45%	0.451	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-6.4	-175.6	-52.4	-69.4	0	0	0	113.7	S707 L757 W760	S707-Y709 VanDerWaalsContact C-N 3.25Å; S707-Y709 PolarHBondContact O-N 3.03Å; Y709-L757 VanDerWaalsContact CB-CD2 3.4Å; Y709-L757 HydrophobicContact CD2-CD2 3.72Å; Y709-L757 HydrophobicContact CG-CD2 3.72Å; Y709-W760 HydrophobicContact CE2-CB 3.92Å
710	L	88.9	Confident	90.9	Very high	46 Å²	46	38.5 Å²	38.5	24%	0.241	20%	0.2	C	C	.	.	S	Bend	trans	-115.1	135.1	-179.3	-64.4	-178.2	0	0	0	111.7	P708 A715 R718 H727	P708-L710 VanDerWaalsContact C-N 3.31Å; L710-A715 HydrophobicContact CB-CB 4.37Å; L710-A715 HydrophobicContact CD1-CB 4.01Å; L710-R718 HydrophobicContact CB-CG 4.46Å; L710-R718 WeakPolarHBondContact O-CD 3.08Å; L710-H727 HydrophobicContact CD1-CB 3.76Å; L710-H727 VanDerWaalsContact CD1-CG 3.48Å; L710-H727 WeakPolarHBondContact CD1-ND1 3.36Å
711	S	85.5	Confident	90.9	Very high	52 Å²	52	36 Å²	36	36%	0.364	19%	0.19	S	C	.	.			trans	-64.7	126.6	172.4	163	0	0	0	0	110.7	K713 D714 A715	S711-K713 PolarHBondContact O-N 3.1Å; S711-K713 VanDerWaalsContact O-N 3.11Å; S711-K713 PolarHBondContact OG-N 2.74Å; S711-D714 WeakPolarHBondContact CB-OD2 3.49Å; S711-D714 PolarHBondContact O-N 2.78Å; S711-D714 VanDerWaalsContact O-N 3.09Å; S711-D714 PolarHBondContact OG-OD2 3.2Å; S711-A715 PolarHBondContact O-N 2.86Å
712	P	81.6	Confident	90.8	Very high	45 Å²	45	37.6 Å²	37.6	29%	0.292	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-18.6	176.3	-23	32.5	0	0	0	114.4	Y567 P716	Y567-P712 HydrophobicContact CE2-CB 3.96Å; P712-P716 WeakPolarHBondContact O-CA 3.36Å; P712-P716 VanDerWaalsContact O-CB 3.32Å; P712-P716 WeakPolarHBondContact O-CB 3.45Å
713	K	77.6	Confident	90.7	Very high	106 Å²	106	38.1 Å²	38.1	46%	0.461	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-40.1	175	-177.5	-164.6	172	-161.1	0	111.9	S711	S711-K713 PolarHBondContact O-N 3.1Å; S711-K713 VanDerWaalsContact O-N 3.11Å; S711-K713 PolarHBondContact OG-N 2.74Å
714	D	77.8	Confident	90.3	Very high	108 Å²	108	39 Å²	39	58%	0.578	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-30.5	-170.2	-51.5	-68.8	0	0	0	111.5	S711	S711-D714 WeakPolarHBondContact CB-OD2 3.49Å; S711-D714 PolarHBondContact O-N 2.78Å; S711-D714 VanDerWaalsContact O-N 3.09Å; S711-D714 PolarHBondContact OG-OD2 3.2Å
715	A	83.7	Confident	90	Very high	22 Å²	22	39.5 Å²	39.5	18%	0.182	22%	0.218	C	C	.	.			trans	-141.2	85.4	169.5	0	0	0	0	0	109.9	L710 S711 L717 R718	L710-A715 HydrophobicContact CB-CB 4.37Å; L710-A715 HydrophobicContact CD1-CB 4.01Å; S711-A715 PolarHBondContact O-N 2.86Å; A715-L717 VanDerWaalsContact C-N 3.3Å; A715-L717 PolarHBondContact O-N 2.68Å; A715-R718 WeakPolarHBondContact O-CG 3.47Å
716	P	85.8	Confident	89.6	Confident	37 Å²	37	42 Å²	42	24%	0.24	24%	0.235	C	C	.	.			trans	-62.1	-34.3	-178.3	17.8	-29.3	0	0	0	113.8	Y567 P712 R718	Y567-P716 HydrophobicContact CD2-CB 3.64Å; Y567-P716 VanDerWaalsContact CD2-O 3.31Å; Y567-P716 WeakPolarHBondContact CD2-O 3.47Å; Y567-P716 HydrophobicContact CE2-CB 4.08Å; P712-P716 WeakPolarHBondContact O-CA 3.36Å; P712-P716 VanDerWaalsContact O-CB 3.32Å; P712-P716 WeakPolarHBondContact O-CB 3.45Å; P716-R718 VanDerWaalsContact C-N 3.31Å; P716-R718 PolarHBondContact O-N 2.69Å
717	L	91.4	Very high	89.5	Confident	11 Å²	11	41.8 Å²	41.8	6%	0.058	23%	0.234	C	C	.	.			trans	-87.3	66.7	-171.6	-56.8	174.8	0	0	0	111.1	L557 F562 A566 A715 H719 G723 K724 H727	L557-L717 HydrophobicContact CD2-CD1 3.94Å; F562-L717 HydrophobicContact CD1-CD2 4.32Å; F562-L717 HydrophobicContact CE1-CD1 3.71Å; F562-L717 HydrophobicContact CE1-CD2 3.57Å; F562-L717 HydrophobicContact CE1-CG 4.23Å; F562-L717 HydrophobicContact CZ-CD1 4.1Å; F562-L717 HydrophobicContact CZ-CD2 4.23Å; A566-L717 HydrophobicContact CB-CD2 3.93Å; A566-L717 CarbonylContact O-C 3.56Å; A566-L717 WeakPolarHBondContact O-CA 3.38Å; A715-L717 VanDerWaalsContact C-N 3.3Å; A715-L717 PolarHBondContact O-N 2.68Å; L717-H719 PolarHBondContact O-N 3.25Å; L717-G723 CarbonylContact O-C 3.59Å; L717-G723 WeakPolarHBondContact O-CA 3.23Å; L717-K724 HydrophobicContact CB-CB 4.27Å; L717-K724 HydrophobicContact CD1-CB 3.97Å; L717-K724 HydrophobicContact CD1-CD 4.19Å; L717-K724 HydrophobicContact CD1-CG 4.14Å; L717-K724 PolarHBondContact O-N 2.67Å; L717-H727 PolarHBondContact O-CE1 3.48Å; L717-H727 PolarHBondContact O-NE2 3.25Å
718	R	93.1	Very high	89.5	Confident	22 Å²	22	42.1 Å²	42.1	8%	0.083	24%	0.237	C	C	.	.			trans	-78.8	-12.2	-166	-63.2	-176.1	-59.2	116.4	0.2	115.9	A566 L706 S707 L710 A715 P716 I720 H727	A566-R718 PolarHBondContact O-N 2.8Å; L706-R718 HydrophobicContact CB-CB 4.19Å; S707-R718 PolarHBondContact N-O 3.28Å; S707-R718 PolarHBondContact O-NH1 3.49Å; L710-R718 HydrophobicContact CB-CG 4.46Å; L710-R718 WeakPolarHBondContact O-CD 3.08Å; A715-R718 WeakPolarHBondContact O-CG 3.47Å; P716-R718 VanDerWaalsContact C-N 3.31Å; P716-R718 PolarHBondContact O-N 2.69Å; R718-I720 PolarHBondContact O-N 2.68Å; R718-H727 WeakPolarHBondContact CA-NE2 3.26Å; R718-H727 PolarHBondContact O-CD2 2.75Å; R718-H727 VanDerWaalsContact O-CD2 3.25Å; R718-H727 PolarHBondContact O-NE2 3.27Å
719	H	95.9	Very high	89.6	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-61.8	128.6	-177.5	-157.9	-73.1	0	0	0	112.4	L565 A566 Y634 E702 F705 L706 L717 F721 F722 G723	L565-H719 PolarHBondContact O-CD2 3.37Å; A566-H719 PolarHBondContact O-N 2.98Å; Y634-H719 PolarHBondContact OH-CE1 3.28Å; E702-H719 IonicContact OE1-NE2 2.62Å; E702-H719 PolarHBondContact OE1-NE2 2.91Å; F705-H719 CarbonylContact O-C 3.41Å; F705-H719 WeakPolarHBondContact O-CA 3.5Å; L706-H719 HydrophobicContact CD2-CB 3.69Å; L717-H719 PolarHBondContact O-N 3.25Å; H719-F721 VanDerWaalsContact C-N 3.33Å; H719-F721 AromaticContact CE1-CD2 3.72Å; H719-F721 AromaticContact ND1-CD2 3.97Å; H719-F721 PolarHBondContact ND1-N 3.44Å; H719-F721 PolarHBondContact O-N 3.34Å; H719-F722 AromaticContact CE1-CD2 3.53Å; H719-F722 AromaticContact CE1-CE2 3.9Å; H719-F722 AromaticContact ND1-CD2 3.65Å; H719-F722 PolarHBondContact ND1-N 3.41Å; H719-G723 WeakPolarHBondContact O-CA 3.46Å; H719-G723 PolarHBondContact O-N 3.34Å
720	I	96.6	Very high	89.7	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-27.9	-173.6	64.8	172.3	0	0	0	113.8	F705 R718 T728 L729 T761 I762	F705-I720 HydrophobicContact CB-CG1 4.37Å; F705-I720 HydrophobicContact CD1-CD1 3.74Å; F705-I720 HydrophobicContact CD1-CG1 4.08Å; F705-I720 HydrophobicContact CE1-CD1 4.3Å; F705-I720 PolarHBondContact O-N 3.46Å; R718-I720 PolarHBondContact O-N 2.68Å; I720-T728 CarbonylContact O-C 3.49Å; I720-T728 WeakPolarHBondContact O-CA 3.34Å; I720-T728 VanDerWaalsContact O-CB 3.29Å; I720-T728 WeakPolarHBondContact O-CB 3.36Å; I720-L729 HydrophobicContact CD1-CD1 4.11Å; I720-L729 HydrophobicContact CG1-CD1 4.12Å; I720-L729 PolarHBondContact O-N 2.89Å; I720-T761 HydrophobicContact CD1-CG2 4.38Å; I720-T761 HydrophobicContact CG2-CG2 3.85Å; I720-I762 HydrophobicContact CD1-CD1 4.19Å; I720-I762 HydrophobicContact CD1-CG1 3.66Å
721	F	95.1	Very high	89.9	Confident	21 Å²	21	35.6 Å²	35.6	9%	0.092	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-63.2	172.1	-61.2	-91.7	0	0	0	112.7	Y634 E637 L638 F641 F705 H719 L729	Y634-F721 HydrophobicContact CD1-CD2 4.11Å; Y634-F721 HydrophobicContact CD1-CE1 4.26Å; Y634-F721 AromaticContact CD1-CE2 3.51Å; Y634-F721 HydrophobicContact CD1-CE2 3.51Å; Y634-F721 AromaticContact CD1-CZ 3.6Å; Y634-F721 HydrophobicContact CD1-CZ 3.6Å; Y634-F721 HydrophobicContact CE1-CD1 4.45Å; Y634-F721 AromaticContact CE1-CD2 3.6Å; Y634-F721 HydrophobicContact CE1-CD2 3.6Å; Y634-F721 HydrophobicContact CE1-CE1 4.38Å; Y634-F721 AromaticContact CE1-CE2 3.51Å; Y634-F721 HydrophobicContact CE1-CE2 3.51Å; Y634-F721 HydrophobicContact CE1-CG 4.08Å; Y634-F721 AromaticContact CE1-CZ 3.92Å; Y634-F721 HydrophobicContact CE1-CZ 3.92Å; E637-F721 HydrophobicContact CB-CD1 4.42Å; E637-F721 HydrophobicContact CB-CE1 3.75Å; E637-F721 HydrophobicContact CB-CZ 4.35Å; L638-F721 HydrophobicContact CD2-CE1 4.23Å; L638-F721 HydrophobicContact CD2-CE2 4.44Å; L638-F721 HydrophobicContact CD2-CZ 3.57Å; L638-F721 HydrophobicContact CG-CZ 3.88Å; F641-F721 HydrophobicContact CD2-CD1 4.34Å; F641-F721 HydrophobicContact CD2-CE1 4.19Å; F641-F721 AromaticContact CE2-CD1 3.97Å; F641-F721 HydrophobicContact CE2-CD1 3.97Å; F641-F721 HydrophobicContact CE2-CE1 4.29Å; F705-F721 HydrophobicContact CD1-CD2 4.48Å; F705-F721 AromaticContact CD1-CE2 3.79Å; F705-F721 HydrophobicContact CD1-CE2 3.79Å; F705-F721 HydrophobicContact CD2-CE2 4.23Å; F705-F721 AromaticContact CE1-CE2 3.93Å; F705-F721 HydrophobicContact CE1-CE2 3.93Å; F705-F721 HydrophobicContact CE2-CE2 4.36Å; F705-F721 HydrophobicContact CG-CD2 4.35Å; F705-F721 AromaticContact CG-CE2 3.94Å; F705-F721 HydrophobicContact CG-CE2 3.94Å; F705-F721 HydrophobicContact CZ-CE2 4.21Å; H719-F721 VanDerWaalsContact C-N 3.33Å; H719-F721 AromaticContact CE1-CD2 3.72Å; H719-F721 AromaticContact ND1-CD2 3.97Å; H719-F721 PolarHBondContact ND1-N 3.44Å; H719-F721 PolarHBondContact O-N 3.34Å; F721-L729 HydrophobicContact CD1-CD1 3.56Å; F721-L729 HydrophobicContact CD2-CD1 4.27Å; F721-L729 HydrophobicContact CE1-CD1 3.44Å; F721-L729 VanDerWaalsContact CE1-CD1 3.44Å; F721-L729 HydrophobicContact CE2-CD1 4.17Å; F721-L729 HydrophobicContact CG-CD1 3.98Å; F721-L729 HydrophobicContact CZ-CD1 3.77Å
722	F	93.6	Very high	90.3	Very high	37 Å²	37	33.1 Å²	33.1	16%	0.162	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-2	-168.7	-50.6	-65.5	0	0	0	115.3	P513 F562 L565 Y634 H719	P513-F722 HydrophobicContact CG-CZ 4.2Å; F562-F722 WeakPolarHBondContact CE2-O 3.41Å; F562-F722 WeakPolarHBondContact CZ-O 3.4Å; L565-F722 HydrophobicContact CD1-CD2 4.17Å; L565-F722 HydrophobicContact CD2-CB 4.31Å; L565-F722 HydrophobicContact CD2-CD2 3.45Å; L565-F722 VanDerWaalsContact CD2-CD2 3.45Å; L565-F722 HydrophobicContact CD2-CE2 3.91Å; L565-F722 HydrophobicContact CD2-CG 3.87Å; L565-F722 HydrophobicContact CG-CB 4.49Å; L565-F722 HydrophobicContact CG-CD2 3.78Å; L565-F722 HydrophobicContact CG-CE2 4.48Å; L565-F722 HydrophobicContact CG-CG 4.38Å; Y634-F722 WeakPolarHBondContact OH-CE2 3.19Å; H719-F722 AromaticContact CE1-CD2 3.53Å; H719-F722 AromaticContact CE1-CE2 3.9Å; H719-F722 AromaticContact ND1-CD2 3.65Å; H719-F722 PolarHBondContact ND1-N 3.41Å
723	G	92.6	Very high	90.9	Very high	11 Å²	11	31.1 Å²	31.1	11%	0.113	17%	0.174	C	C	.	.			trans	-75	-171.5	-178.4	0	0	0	0	0	113.8	L717 H719	L717-G723 CarbonylContact O-C 3.59Å; L717-G723 WeakPolarHBondContact O-CA 3.23Å; H719-G723 WeakPolarHBondContact O-CA 3.46Å; H719-G723 PolarHBondContact O-N 3.34Å
724	K	89	Confident	91.6	Very high	70 Å²	70	29.5 Å²	29.5	30%	0.304	17%	0.168	S	C	.	.			trans	-139.8	121.9	175.3	-67.5	-169.3	171.4	-168.9	0	110.8	E276 L717 H727	E276-K724 IonicContact OE1-NZ 3.62Å; E276-K724 PolarHBondContact OE1-NZ 3.22Å; L717-K724 HydrophobicContact CB-CB 4.27Å; L717-K724 HydrophobicContact CD1-CB 3.97Å; L717-K724 HydrophobicContact CD1-CD 4.19Å; L717-K724 HydrophobicContact CD1-CG 4.14Å; L717-K724 PolarHBondContact O-N 2.67Å; K724-H727 PolarHBondContact O-CE1 2.89Å
725	G	88.3	Confident	92.2	Very high	38 Å²	38	24.9 Å²	24.9	39%	0.392	14%	0.143	S	C	.	.	S	Bend	trans	153.5	-177.3	-178.3	0	0	0	0	0	110.5	H727 T728 S731	G725-H727 VanDerWaalsContact C-N 3.27Å; G725-H727 PolarHBondContact O-N 3.42Å; G725-T728 PolarHBondContact O-OG1 3.04Å; G725-S731 VanDerWaalsContact O-CB 3.28Å; G725-S731 WeakPolarHBondContact O-CB 3.33Å
726	S	89.7	Confident	92.6	Very high	51 Å²	51	23.9 Å²	23.9	36%	0.357	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-26.2	178.2	50.5	0	0	0	0	113	T728 Q754	S726-T728 PolarHBondContact O-N 2.83Å; S726-Q754 VanDerWaalsContact O-CG 3.27Å; S726-Q754 WeakPolarHBondContact O-CG 3.39Å; S726-Q754 PolarHBondContact O-NE2 3.36Å
727	H	92.6	Very high	92.8	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-3.2	-178	61	-78.3	0	0	0	115.5	L710 L717 R718 K724 G725 L757 V758	L710-H727 HydrophobicContact CD1-CB 3.76Å; L710-H727 VanDerWaalsContact CD1-CG 3.48Å; L710-H727 WeakPolarHBondContact CD1-ND1 3.36Å; L717-H727 PolarHBondContact O-CE1 3.48Å; L717-H727 PolarHBondContact O-NE2 3.25Å; R718-H727 WeakPolarHBondContact CA-NE2 3.26Å; R718-H727 PolarHBondContact O-CD2 2.75Å; R718-H727 VanDerWaalsContact O-CD2 3.25Å; R718-H727 PolarHBondContact O-NE2 3.27Å; K724-H727 PolarHBondContact O-CE1 2.89Å; G725-H727 VanDerWaalsContact C-N 3.27Å; G725-H727 PolarHBondContact O-N 3.42Å; H727-L757 HydrophobicContact CB-CD1 4.34Å; H727-V758 WeakPolarHBondContact O-CG2 3.45Å
728	T	95.4	Very high	92.7	Very high	8 Å²	8	28.3 Å²	28.3	5%	0.049	15%	0.153	C	C	.	.	S	Bend	trans	-87.7	150	-176.1	69.7	0	0	0	0	112.4	I720 G725 S726 Q730 S731 L732	I720-T728 CarbonylContact O-C 3.49Å; I720-T728 WeakPolarHBondContact O-CA 3.34Å; I720-T728 VanDerWaalsContact O-CB 3.29Å; I720-T728 WeakPolarHBondContact O-CB 3.36Å; G725-T728 PolarHBondContact O-OG1 3.04Å; S726-T728 PolarHBondContact O-N 2.83Å; T728-Q730 PolarHBondContact O-N 3.49Å; T728-S731 PolarHBondContact O-N 3.12Å; T728-S731 VanDerWaalsContact O-N 3.07Å; T728-S731 VanDerWaalsContact OG1-CB 3.29Å; T728-S731 WeakPolarHBondContact OG1-CB 3.41Å; T728-S731 PolarHBondContact OG1-N 3.06Å; T728-S731 VanDerWaalsContact OG1-N 3.07Å; T728-L732 PolarHBondContact O-N 3.09Å
729	L	95.6	Very high	92.4	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.01	15%	0.152	C	C	.	.	H	α-helix	trans	-55.6	-41.2	173.8	-75.3	157.7	0	0	0	111.4	L638 F641 F645 I720 F721 L732 L733 V758	L638-L729 HydrophobicContact CD2-CD1 4.4Å; F641-L729 HydrophobicContact CB-CD2 4.26Å; F641-L729 HydrophobicContact CD1-CB 3.79Å; F641-L729 HydrophobicContact CD2-CB 4.13Å; F641-L729 HydrophobicContact CD2-CD1 3.94Å; F641-L729 HydrophobicContact CD2-CG 4.46Å; F641-L729 HydrophobicContact CE1-CB 3.69Å; F641-L729 HydrophobicContact CE2-CB 4.04Å; F641-L729 HydrophobicContact CE2-CD1 4.15Å; F641-L729 HydrophobicContact CG-CB 4.02Å; F641-L729 HydrophobicContact CG-CD1 4.36Å; F641-L729 HydrophobicContact CG-CD2 4.22Å; F641-L729 HydrophobicContact CG-CG 4.44Å; F641-L729 HydrophobicContact CZ-CB 3.82Å; F645-L729 HydrophobicContact CE2-CD2 3.74Å; F645-L729 HydrophobicContact CZ-CD2 3.86Å; I720-L729 HydrophobicContact CD1-CD1 4.11Å; I720-L729 HydrophobicContact CG1-CD1 4.12Å; I720-L729 PolarHBondContact O-N 2.89Å; F721-L729 HydrophobicContact CD1-CD1 3.56Å; F721-L729 HydrophobicContact CD2-CD1 4.27Å; F721-L729 HydrophobicContact CE1-CD1 3.44Å; F721-L729 VanDerWaalsContact CE1-CD1 3.44Å; F721-L729 HydrophobicContact CE2-CD1 4.17Å; F721-L729 HydrophobicContact CG-CD1 3.98Å; F721-L729 HydrophobicContact CZ-CD1 3.77Å; L729-L732 PolarHBondContact O-N 3.1Å; L729-L733 PolarHBondContact O-N 3.44Å; L729-V758 HydrophobicContact CD2-CG1 3.49Å; L729-V758 VanDerWaalsContact CD2-CG1 3.49Å; L729-V758 HydrophobicContact CG-CG1 4.12Å
730	Q	93.9	Very high	91.7	Very high	80 Å²	80	32.5 Å²	32.5	37%	0.374	17%	0.173	S	C	.	.	H	α-helix	trans	-63.9	-39.4	175	179.3	57.9	30.3	0	0	112.9	T728 L733 E734	T728-Q730 PolarHBondContact O-N 3.49Å; Q730-L733 PolarHBondContact O-N 3.02Å; Q730-E734 PolarHBondContact NE2-OE1 3.22Å; Q730-E734 PolarHBondContact O-N 3.02Å
731	S	92.4	Very high	90.9	Very high	26 Å²	26	37.8 Å²	37.8	18%	0.182	21%	0.205	C	C	.	.	H	α-helix	trans	-72.2	-32.6	178	-171	0	0	0	0	112.3	G725 T728 H735 Q754	G725-S731 VanDerWaalsContact O-CB 3.28Å; G725-S731 WeakPolarHBondContact O-CB 3.33Å; T728-S731 PolarHBondContact O-N 3.12Å; T728-S731 VanDerWaalsContact O-N 3.07Å; T728-S731 VanDerWaalsContact OG1-CB 3.29Å; T728-S731 WeakPolarHBondContact OG1-CB 3.41Å; T728-S731 PolarHBondContact OG1-N 3.06Å; T728-S731 VanDerWaalsContact OG1-N 3.07Å; S731-H735 PolarHBondContact O-N 2.98Å; S731-H735 VanDerWaalsContact O-N 3.15Å; S731-Q754 VanDerWaalsContact C-NE2 3.29Å; S731-Q754 PolarHBondContact O-NE2 3.04Å; S731-Q754 PolarHBondContact OG-NE2 3.16Å; S731-Q754 VanDerWaalsContact OG-NE2 3.09Å
732	L	95.1	Very high	89.9	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-64.2	-43.9	169.4	176.5	58.7	0	0	0	110.9	F645 L662 T728 L729 H735 L736 L751 Q754 M755 V758	F645-L732 HydrophobicContact CE1-CB 4.41Å; F645-L732 HydrophobicContact CE1-CD2 4.19Å; F645-L732 HydrophobicContact CE1-CG 4.01Å; F645-L732 HydrophobicContact CE2-CD2 4.27Å; F645-L732 HydrophobicContact CZ-CB 4.41Å; F645-L732 HydrophobicContact CZ-CD2 3.87Å; F645-L732 HydrophobicContact CZ-CG 4.13Å; L662-L732 HydrophobicContact CD2-CD2 4.44Å; T728-L732 PolarHBondContact O-N 3.09Å; L729-L732 PolarHBondContact O-N 3.1Å; L732-H735 PolarHBondContact O-N 3.3Å; L732-L736 HydrophobicContact CD1-CD1 4.17Å; L732-L736 HydrophobicContact CD1-CG 4.23Å; L732-L736 HydrophobicContact CG-CD1 4.08Å; L732-L736 WeakPolarHBondContact O-CG 3.35Å; L732-L736 PolarHBondContact O-N 2.88Å; L732-L751 HydrophobicContact CD1-CD1 3.65Å; L732-Q754 HydrophobicContact CD1-CB 4.06Å; L732-M755 HydrophobicContact CD1-CG 3.69Å; L732-M755 HydrophobicContact CD2-CG 4.38Å; L732-V758 HydrophobicContact CD2-CB 4.49Å; L732-V758 HydrophobicContact CD2-CG2 4.38Å
733	L	94.4	Very high	88.9	Confident	3 Å²	3	42.2 Å²	42.2	2%	0.016	24%	0.235	C	C	.	.	H	α-helix	trans	-61.5	-47.4	176.6	-176.1	60	0	0	0	112.3	F641 E644 F645 Y648 L729 Q730 H735 L736 Q737	F641-L733 HydrophobicContact CE1-CD2 4.46Å; E644-L733 HydrophobicContact CB-CD1 3.91Å; E644-L733 HydrophobicContact CB-CD2 4.48Å; F645-L733 HydrophobicContact CD1-CD1 4.16Å; F645-L733 HydrophobicContact CE1-CB 3.89Å; F645-L733 HydrophobicContact CE1-CD1 4.22Å; Y648-L733 HydrophobicContact CE2-CD1 4.32Å; L729-L733 PolarHBondContact O-N 3.44Å; Q730-L733 PolarHBondContact O-N 3.02Å; L733-H735 VanDerWaalsContact C-N 3.27Å; L733-H735 PolarHBondContact O-N 3.02Å; L733-L736 PolarHBondContact O-N 3.41Å; L733-Q737 WeakPolarHBondContact O-CG 3.44Å; L733-Q737 PolarHBondContact O-N 2.98Å
734	E	91.1	Very high	87.8	Confident	71 Å²	71	47.8 Å²	47.8	33%	0.332	27%	0.272	S	S	.	.	H	α-helix	trans	-57.7	-38.1	175.3	-82	176.3	-135.1	0	0	111.9	K247 Q730	K247-E734 IonicContact NZ-OE2 2.69Å; K247-E734 PolarHBondContact NZ-OE2 2.66Å; Q730-E734 PolarHBondContact NE2-OE1 3.22Å; Q730-E734 PolarHBondContact O-N 3.02Å
735	H	90.9	Very high	87	Confident	12 Å²	12	47.6 Å²	47.6	6%	0.056	28%	0.28	C	S	.	.	H	α-helix	trans	-74.3	-37.8	177.7	-157.7	172	0	0	0	112.6	S731 L732 L733 Q737 L738 N747 L751 Q754	S731-H735 PolarHBondContact O-N 2.98Å; S731-H735 VanDerWaalsContact O-N 3.15Å; L732-H735 PolarHBondContact O-N 3.3Å; L733-H735 VanDerWaalsContact C-N 3.27Å; L733-H735 PolarHBondContact O-N 3.02Å; H735-Q737 VanDerWaalsContact C-N 3.31Å; H735-Q737 PolarHBondContact O-N 3.46Å; H735-L738 WeakPolarHBondContact O-CB 3.22Å; H735-L738 PolarHBondContact O-N 3.5Å; H735-L738 VanDerWaalsContact O-N 3.12Å; H735-N747 PolarHBondContact CE1-O 2.82Å; H735-N747 PolarHBondContact NE2-N 2.92Å; H735-N747 VanDerWaalsContact NE2-N 3.18Å; H735-L751 HydrophobicContact CB-CD1 4.48Å; H735-Q754 PolarHBondContact ND1-OE1 2.79Å
736	L	91.8	Very high	86.8	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-63.8	-35.5	174.3	-71.6	170.6	0	0	0	112	F645 Y648 V652 L732 L733 L738 L739 L751	F645-L736 HydrophobicContact CD1-CD1 3.47Å; F645-L736 VanDerWaalsContact CD1-CD1 3.47Å; F645-L736 HydrophobicContact CE1-CD1 4Å; F645-L736 HydrophobicContact CG-CD1 4.24Å; Y648-L736 HydrophobicContact CD1-CB 4.26Å; Y648-L736 VanDerWaalsContact CD1-O 3.24Å; Y648-L736 WeakPolarHBondContact CD1-O 3.4Å; Y648-L736 HydrophobicContact CD2-CB 4.17Å; Y648-L736 WeakPolarHBondContact CE1-O 3.41Å; Y648-L736 HydrophobicContact CG-CB 3.97Å; V652-L736 HydrophobicContact CG2-CD2 3.5Å; V652-L736 VanDerWaalsContact CG2-CD2 3.5Å; L732-L736 HydrophobicContact CD1-CD1 4.17Å; L732-L736 HydrophobicContact CD1-CG 4.23Å; L732-L736 HydrophobicContact CG-CD1 4.08Å; L732-L736 WeakPolarHBondContact O-CG 3.35Å; L732-L736 PolarHBondContact O-N 2.88Å; L733-L736 PolarHBondContact O-N 3.41Å; L736-L738 PolarHBondContact O-N 2.99Å; L736-L739 HydrophobicContact CD2-CD1 3.64Å; L736-L739 VanDerWaalsContact O-CB 3.29Å; L736-L739 WeakPolarHBondContact O-CB 3.35Å; L736-L739 PolarHBondContact O-N 2.9Å; L736-L739 VanDerWaalsContact O-N 3.11Å; L736-L751 HydrophobicContact CD2-CD1 3.9Å; L736-L751 HydrophobicContact CD2-CD2 4.4Å; L736-L751 HydrophobicContact CG-CD1 4.24Å
737	Q	91.1	Very high	86.7	Confident	77 Å²	77	48.3 Å²	48.3	36%	0.36	27%	0.271	S	S	.	.	H	α-helix	trans	-60.9	-26.9	173.2	-72.5	173	14.7	0	0	113.3	Y648 L733 H735 L739 K740 T741	Y648-Q737 HydrophobicContact CE1-CG 4.42Å; Y648-Q737 WeakPolarHBondContact OH-CG 3.29Å; L733-Q737 WeakPolarHBondContact O-CG 3.44Å; L733-Q737 PolarHBondContact O-N 2.98Å; H735-Q737 VanDerWaalsContact C-N 3.31Å; H735-Q737 PolarHBondContact O-N 3.46Å; Q737-L739 VanDerWaalsContact C-N 3.33Å; Q737-L739 PolarHBondContact O-N 2.66Å; Q737-K740 PolarHBondContact O-N 2.95Å; Q737-T741 PolarHBondContact O-N 3.49Å; Q737-T741 PolarHBondContact O-OG1 3.33Å
738	L	88.2	Confident	86.5	Confident	64 Å²	64	50.4 Å²	50.4	34%	0.335	28%	0.284	S	S	.	.	H	α-helix	trans	-69.7	-26.6	175.6	-62.2	178.7	0	0	0	112.9	H735 L736 K740 T741 S742 N743 V746	H735-L738 WeakPolarHBondContact O-CB 3.22Å; H735-L738 PolarHBondContact O-N 3.5Å; H735-L738 VanDerWaalsContact O-N 3.12Å; L736-L738 PolarHBondContact O-N 2.99Å; L738-K740 VanDerWaalsContact C-N 3.26Å; L738-K740 PolarHBondContact O-N 3.42Å; L738-T741 WeakPolarHBondContact CA-OG1 3.35Å; L738-T741 PolarHBondContact O-N 2.63Å; L738-S742 CarbonylContact O-C 3.48Å; L738-S742 PolarHBondContact O-N 2.89Å; L738-N743 PolarHBondContact O-N 3.34Å; L738-V746 HydrophobicContact CB-CG2 3.77Å
739	L	86.3	Confident	86.4	Confident	11 Å²	11	54.7 Å²	54.7	6%	0.058	31%	0.306	C	S	.	.	H	α-helix	trans	-57.2	-39.3	176.2	-66.1	166.2	0	0	0	112.2	E651 V652 L655 L736 Q737 V746 L751	E651-L739 HydrophobicContact CB-CB 4Å; E651-L739 HydrophobicContact CB-CD1 3.92Å; E651-L739 HydrophobicContact CB-CG 4.44Å; E651-L739 HydrophobicContact CG-CB 4.31Å; V652-L739 HydrophobicContact CG2-CD1 4.06Å; L655-L739 HydrophobicContact CD1-CD2 3.6Å; L736-L739 HydrophobicContact CD2-CD1 3.64Å; L736-L739 VanDerWaalsContact O-CB 3.29Å; L736-L739 WeakPolarHBondContact O-CB 3.35Å; L736-L739 PolarHBondContact O-N 2.9Å; L736-L739 VanDerWaalsContact O-N 3.11Å; Q737-L739 VanDerWaalsContact C-N 3.33Å; Q737-L739 PolarHBondContact O-N 2.66Å; L739-V746 HydrophobicContact CD2-CB 4.46Å; L739-V746 HydrophobicContact CD2-CG1 3.91Å; L739-V746 HydrophobicContact CD2-CG2 4.1Å; L739-V746 HydrophobicContact CG-CG2 4.43Å; L739-L751 HydrophobicContact CD1-CD2 4.5Å
740	K	82.4	Confident	86.2	Confident	100 Å²	100	57.7 Å²	57.7	44%	0.435	32%	0.321	S	S	.	.	H	α-helix	trans	-86.9	-26.5	-178.9	-67.5	-174.3	-177	167	0	113.9	Q647 Y648 E651 Q737 L738	Q647-K740 WeakPolarHBondContact O-CE 3.27Å; Q647-K740 PolarHBondContact O-NZ 3.11Å; Y648-K740 HydrophobicContact CD1-CD 3.92Å; Y648-K740 HydrophobicContact CD1-CG 4.08Å; Y648-K740 HydrophobicContact CE1-CD 3.62Å; Y648-K740 HydrophobicContact CE1-CG 4.02Å; E651-K740 HydrophobicContact CG-CG 4.37Å; E651-K740 VanDerWaalsContact OE1-CE 3.24Å; E651-K740 WeakPolarHBondContact OE1-CE 3.33Å; Q737-K740 PolarHBondContact O-N 2.95Å; L738-K740 VanDerWaalsContact C-N 3.26Å; L738-K740 PolarHBondContact O-N 3.42Å
741	T	79.1	Confident	86.1	Confident	110 Å²	110	53.9 Å²	53.9	68%	0.675	30%	0.303	S	S	*	.	H	α-helix	trans	-100.7	-31.9	-172.6	53	0	0	0	0	113.6	Q737 L738	Q737-T741 PolarHBondContact O-N 3.49Å; Q737-T741 PolarHBondContact O-OG1 3.33Å; L738-T741 WeakPolarHBondContact CA-OG1 3.35Å; L738-T741 PolarHBondContact O-N 2.63Å
742	S	74.2	Confident	86.1	Confident	44 Å²	44	57.1 Å²	57.1	31%	0.308	31%	0.314	S	S	.	.			trans	-159.5	62.9	-176.2	54.7	0	0	0	0	111.9	L738 S744 S745	L738-S742 CarbonylContact O-C 3.48Å; L738-S742 PolarHBondContact O-N 2.89Å; S742-S744 PolarHBondContact O-N 2.83Å; S742-S745 WeakPolarHBondContact O-CB 3.32Å; S742-S745 PolarHBondContact O-N 2.74Å; S742-S745 PolarHBondContact O-OG 3.31Å; S742-S745 PolarHBondContact OG-OG 3.07Å
743	N	71.9	Confident	86.1	Confident	107 Å²	107	62.8 Å²	62.8	57%	0.572	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-48	-29.6	-176.6	-169.6	30.9	0	0	0	114.8	L738 S745	L738-N743 PolarHBondContact O-N 3.34Å; N743-S745 VanDerWaalsContact C-N 3.28Å; N743-S745 PolarHBondContact O-N 3.36Å
744	S	69.6	Low	86.1	Confident	129 Å²	129	62.7 Å²	62.7	90%	0.902	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-75.7	-4.3	176.1	57.7	0	0	0	0	115.6	S742	S742-S744 PolarHBondContact O-N 2.83Å
745	S	73.8	Confident	86.3	Confident	66 Å²	66	60.2 Å²	60.2	46%	0.462	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-102	-8.7	176.4	74	0	0	0	0	113.8	S742 N743 N747	S742-S745 WeakPolarHBondContact O-CB 3.32Å; S742-S745 PolarHBondContact O-N 2.74Å; S742-S745 PolarHBondContact O-OG 3.31Å; S742-S745 PolarHBondContact OG-OG 3.07Å; N743-S745 VanDerWaalsContact C-N 3.28Å; N743-S745 PolarHBondContact O-N 3.36Å; S745-N747 PolarHBondContact O-N 3.1Å
746	V	82.3	Confident	86.4	Confident	19 Å²	19	61.8 Å²	61.8	12%	0.115	34%	0.344	C	S	.	.			trans	-75	122.7	-171.4	176	0	0	0	0	111.1	L738 L739 V748 L751	L738-V746 HydrophobicContact CB-CG2 3.77Å; L739-V746 HydrophobicContact CD2-CB 4.46Å; L739-V746 HydrophobicContact CD2-CG1 3.91Å; L739-V746 HydrophobicContact CD2-CG2 4.1Å; L739-V746 HydrophobicContact CG-CG2 4.43Å; V746-V748 HydrophobicContact CG1-CG2 4.44Å; V746-V748 PolarHBondContact O-N 2.88Å; V746-L751 HydrophobicContact CG1-CD2 4.43Å
747	N	87.6	Confident	86.6	Confident	85 Å²	85	63.4 Å²	63.4	46%	0.455	35%	0.352	S	S	.	.			trans	-86.3	92.4	173.6	-179.5	-8.8	0	0	0	109.7	H735 S745 N749 M750 L751	H735-N747 PolarHBondContact CE1-O 2.82Å; H735-N747 PolarHBondContact NE2-N 2.92Å; H735-N747 VanDerWaalsContact NE2-N 3.18Å; S745-N747 PolarHBondContact O-N 3.1Å; N747-N749 PolarHBondContact O-N 3.36Å; N747-N749 VanDerWaalsContact O-N 3.13Å; N747-N749 PolarHBondContact OD1-N 3.47Å; N747-M750 HydrophobicContact CB-CB 3.98Å; N747-M750 PolarHBondContact O-N 3.28Å; N747-M750 VanDerWaalsContact O-N 3.15Å; N747-M750 PolarHBondContact OD1-N 3.13Å; N747-L751 PolarHBondContact O-N 2.81Å
748	V	89.9	Confident	86.8	Confident	44 Å²	44	59.7 Å²	59.7	27%	0.267	34%	0.335	S	S	.	.	H	α-helix	trans	-58.3	-26.9	-176.9	-176.3	0	0	0	0	113.3	L655 V746 K752	L655-V748 HydrophobicContact CD1-CG1 4.47Å; L655-V748 HydrophobicContact CD1-CG2 4.16Å; L655-V748 HydrophobicContact CD2-CG2 4.27Å; V746-V748 HydrophobicContact CG1-CG2 4.44Å; V746-V748 PolarHBondContact O-N 2.88Å; V748-K752 VanDerWaalsContact O-CG 3.3Å; V748-K752 WeakPolarHBondContact O-CG 3.3Å; V748-K752 PolarHBondContact O-N 3.49Å; V748-K752 VanDerWaalsContact O-N 3.15Å
749	N	92	Very high	87.2	Confident	98 Å²	98	57.4 Å²	57.4	52%	0.524	32%	0.324	S	S	.	.	H	α-helix	trans	-75.9	-46.6	176.3	-72.5	-10.7	0	0	0	111.5	N747 L751 K752 E753	N747-N749 PolarHBondContact O-N 3.36Å; N747-N749 VanDerWaalsContact O-N 3.13Å; N747-N749 PolarHBondContact OD1-N 3.47Å; N749-L751 VanDerWaalsContact C-N 3.28Å; N749-L751 PolarHBondContact O-N 3.27Å; N749-K752 WeakPolarHBondContact O-CB 3.2Å; N749-K752 PolarHBondContact O-N 3.2Å; N749-E753 WeakPolarHBondContact O-CG 3.33Å; N749-E753 PolarHBondContact O-N 3.36Å
750	M	91.1	Very high	87.6	Confident	65 Å²	65	64 Å²	64	32%	0.32	35%	0.348	S	S	.	.	H	α-helix	trans	-58.5	-40.9	171.4	172.2	-178.8	165.2	0	0	111.2	N747 K752 E753 Q754	N747-M750 HydrophobicContact CB-CB 3.98Å; N747-M750 PolarHBondContact O-N 3.28Å; N747-M750 VanDerWaalsContact O-N 3.15Å; N747-M750 PolarHBondContact OD1-N 3.13Å; M750-K752 PolarHBondContact O-N 2.69Å; M750-E753 PolarHBondContact O-N 2.88Å; M750-Q754 HydrophobicContact CG-CG 4.3Å; M750-Q754 VanDerWaalsContact O-CG 3.25Å; M750-Q754 WeakPolarHBondContact O-CG 3.49Å; M750-Q754 PolarHBondContact O-N 2.9Å
751	L	92.6	Very high	88.3	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-59.8	-43.5	176.1	-178.4	60.5	0	0	0	112.2	L655 L657 L732 H735 L736 L739 V746 N747 N749 Q754 M755	L655-L751 HydrophobicContact CD1-CD2 4.17Å; L657-L751 HydrophobicContact CD1-CD2 4.32Å; L732-L751 HydrophobicContact CD1-CD1 3.65Å; H735-L751 HydrophobicContact CB-CD1 4.48Å; L736-L751 HydrophobicContact CD2-CD1 3.9Å; L736-L751 HydrophobicContact CD2-CD2 4.4Å; L736-L751 HydrophobicContact CG-CD1 4.24Å; L739-L751 HydrophobicContact CD1-CD2 4.5Å; V746-L751 HydrophobicContact CG1-CD2 4.43Å; N747-L751 PolarHBondContact O-N 2.81Å; N749-L751 VanDerWaalsContact C-N 3.28Å; N749-L751 PolarHBondContact O-N 3.27Å; L751-Q754 PolarHBondContact O-N 3.37Å; L751-M755 HydrophobicContact CD1-CG 4.35Å; L751-M755 HydrophobicContact CD1-SD 4.22Å; L751-M755 HydrophobicContact CG-SD 4.02Å; L751-M755 WeakPolarHBondContact O-CB 3.37Å; L751-M755 VanDerWaalsContact O-CG 3.26Å; L751-M755 WeakPolarHBondContact O-CG 3.43Å; L751-M755 PolarHBondContact O-N 3.4Å
752	K	93.6	Very high	89.2	Confident	95 Å²	95	54.2 Å²	54.2	41%	0.413	30%	0.296	S	S	.	.	H	α-helix	trans	-60	-45.7	173.4	-72.6	163.7	-176.9	167	0	112	L657 V748 N749 M750 M755 A756	L657-K752 HydrophobicContact CD1-CG 4.03Å; L657-K752 HydrophobicContact CD2-CD 4.29Å; L657-K752 HydrophobicContact CD2-CG 3.67Å; V748-K752 VanDerWaalsContact O-CG 3.3Å; V748-K752 WeakPolarHBondContact O-CG 3.3Å; V748-K752 PolarHBondContact O-N 3.49Å; V748-K752 VanDerWaalsContact O-N 3.15Å; N749-K752 WeakPolarHBondContact O-CB 3.2Å; N749-K752 PolarHBondContact O-N 3.2Å; M750-K752 PolarHBondContact O-N 2.69Å; K752-M755 PolarHBondContact O-N 2.96Å; K752-A756 WeakPolarHBondContact O-CB 3.28Å; K752-A756 PolarHBondContact O-N 3.23Å
753	E	93.7	Very high	90.1	Very high	119 Å²	119	53.1 Å²	53.1	56%	0.556	29%	0.286	S	S	*	.	H	α-helix	trans	-61	-46.6	178.8	-71.1	162.3	-163.6	0	0	111	N749 M750 A756 L757	N749-E753 WeakPolarHBondContact O-CG 3.33Å; N749-E753 PolarHBondContact O-N 3.36Å; M750-E753 PolarHBondContact O-N 2.88Å; E753-A756 PolarHBondContact O-N 3.13Å; E753-L757 WeakPolarHBondContact O-CB 3.46Å; E753-L757 WeakPolarHBondContact O-CG 3.48Å; E753-L757 PolarHBondContact O-N 2.9Å
754	Q	94.6	Very high	91.1	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-62	-47.5	177.2	-66.5	-178.6	-82.4	0	0	112.3	S726 S731 L732 H735 M750 L751 A756 L757 V758	S726-Q754 VanDerWaalsContact O-CG 3.27Å; S726-Q754 WeakPolarHBondContact O-CG 3.39Å; S726-Q754 PolarHBondContact O-NE2 3.36Å; S731-Q754 VanDerWaalsContact C-NE2 3.29Å; S731-Q754 PolarHBondContact O-NE2 3.04Å; S731-Q754 PolarHBondContact OG-NE2 3.16Å; S731-Q754 VanDerWaalsContact OG-NE2 3.09Å; L732-Q754 HydrophobicContact CD1-CB 4.06Å; H735-Q754 PolarHBondContact ND1-OE1 2.79Å; M750-Q754 HydrophobicContact CG-CG 4.3Å; M750-Q754 VanDerWaalsContact O-CG 3.25Å; M750-Q754 WeakPolarHBondContact O-CG 3.49Å; M750-Q754 PolarHBondContact O-N 2.9Å; L751-Q754 PolarHBondContact O-N 3.37Å; Q754-A756 VanDerWaalsContact C-N 3.32Å; Q754-A756 PolarHBondContact O-N 3.15Å; Q754-L757 PolarHBondContact O-N 3.2Å; Q754-V758 WeakPolarHBondContact O-CB 3.39Å; Q754-V758 WeakPolarHBondContact O-CG2 3.38Å; Q754-V758 PolarHBondContact O-N 2.73Å
755	M	94.9	Very high	92.3	Very high	18 Å²	18	43.6 Å²	43.6	9%	0.089	23%	0.233	C	C	.	.	H	α-helix	trans	-58.7	-43.7	176.1	-72.5	172.7	61.4	0	0	111.6	V652 L657 T658 L659 L732 L751 K752 T759	V652-M755 HydrophobicContact CG1-CE 4.04Å; V652-M755 HydrophobicContact CG1-SD 4.45Å; L657-M755 HydrophobicContact CB-CE 4.36Å; L657-M755 HydrophobicContact CD1-SD 4.15Å; T658-M755 WeakPolarHBondContact O-CE 3.47Å; L659-M755 HydrophobicContact CD2-CE 4.08Å; L732-M755 HydrophobicContact CD1-CG 3.69Å; L732-M755 HydrophobicContact CD2-CG 4.38Å; L751-M755 HydrophobicContact CD1-CG 4.35Å; L751-M755 HydrophobicContact CD1-SD 4.22Å; L751-M755 HydrophobicContact CG-SD 4.02Å; L751-M755 WeakPolarHBondContact O-CB 3.37Å; L751-M755 VanDerWaalsContact O-CG 3.26Å; L751-M755 WeakPolarHBondContact O-CG 3.43Å; L751-M755 PolarHBondContact O-N 3.4Å; K752-M755 PolarHBondContact O-N 2.96Å; M755-T759 VanDerWaalsContact O-CB 3.22Å; M755-T759 WeakPolarHBondContact O-CB 3.2Å; M755-T759 PolarHBondContact O-N 2.81Å; M755-T759 VanDerWaalsContact O-N 3.08Å; M755-T759 PolarHBondContact O-OG1 2.8Å
756	A	94.2	Very high	93.3	Very high	45 Å²	45	40.5 Å²	40.5	37%	0.372	21%	0.212	S	C	.	.	H	α-helix	trans	-65.5	-50.9	177.9	0	0	0	0	0	112	K752 E753 Q754 V758 T759 W760	K752-A756 WeakPolarHBondContact O-CB 3.28Å; K752-A756 PolarHBondContact O-N 3.23Å; E753-A756 PolarHBondContact O-N 3.13Å; Q754-A756 VanDerWaalsContact C-N 3.32Å; Q754-A756 PolarHBondContact O-N 3.15Å; A756-V758 PolarHBondContact O-N 3.27Å; A756-T759 PolarHBondContact O-N 3.41Å; A756-W760 WeakPolarHBondContact O-CB 3.31Å; A756-W760 VanDerWaalsContact O-CD1 3.3Å; A756-W760 PolarHBondContact O-N 3.27Å
757	L	94.8	Very high	93.7	Very high	34 Å²	34	42.1 Å²	42.1	18%	0.178	22%	0.22	C	C	.	.	H	α-helix	trans	-57.4	-46.4	-178.7	-73.9	171.4	0	0	0	112.2	Y709 H727 E753 Q754 T761	Y709-L757 VanDerWaalsContact CB-CD2 3.4Å; Y709-L757 HydrophobicContact CD2-CD2 3.72Å; Y709-L757 HydrophobicContact CG-CD2 3.72Å; H727-L757 HydrophobicContact CB-CD1 4.34Å; E753-L757 WeakPolarHBondContact O-CB 3.46Å; E753-L757 WeakPolarHBondContact O-CG 3.48Å; E753-L757 PolarHBondContact O-N 2.9Å; Q754-L757 PolarHBondContact O-N 3.2Å; L757-T761 WeakPolarHBondContact O-CB 3.39Å; L757-T761 PolarHBondContact O-N 2.97Å; L757-T761 VanDerWaalsContact O-N 3.07Å; L757-T761 PolarHBondContact O-OG1 2.96Å
758	V	95.9	Very high	93.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-65	-50.2	178	171.8	0	0	0	0	110.7	L662 H727 L729 L732 Q754 A756 W760 T761 I762	L662-V758 HydrophobicContact CD1-CG1 3.8Å; H727-V758 WeakPolarHBondContact O-CG2 3.45Å; L729-V758 HydrophobicContact CD2-CG1 3.49Å; L729-V758 VanDerWaalsContact CD2-CG1 3.49Å; L729-V758 HydrophobicContact CG-CG1 4.12Å; L732-V758 HydrophobicContact CD2-CB 4.49Å; L732-V758 HydrophobicContact CD2-CG2 4.38Å; Q754-V758 WeakPolarHBondContact O-CB 3.39Å; Q754-V758 WeakPolarHBondContact O-CG2 3.38Å; Q754-V758 PolarHBondContact O-N 2.73Å; A756-V758 PolarHBondContact O-N 3.27Å; V758-W760 PolarHBondContact O-N 3.17Å; V758-T761 PolarHBondContact O-N 3.08Å; V758-I762 HydrophobicContact CG1-CD1 3.71Å; V758-I762 WeakPolarHBondContact O-CG1 3.27Å; V758-I762 PolarHBondContact O-N 2.77Å
759	T	96.1	Very high	93.8	Very high	15 Å²	15	37.8 Å²	37.8	9%	0.092	20%	0.2	C	C	.	.	H	α-helix	trans	-59.1	-48.8	-178.6	-59.5	0	0	0	0	112.2	W661 A665 M755 A756 T761 I762 K763	W661-T759 HydrophobicContact CB-CG2 3.99Å; W661-T759 WeakPolarHBondContact O-CG2 3.33Å; A665-T759 HydrophobicContact CB-CG2 4.14Å; M755-T759 VanDerWaalsContact O-CB 3.22Å; M755-T759 WeakPolarHBondContact O-CB 3.2Å; M755-T759 PolarHBondContact O-N 2.81Å; M755-T759 VanDerWaalsContact O-N 3.08Å; M755-T759 PolarHBondContact O-OG1 2.8Å; A756-T759 PolarHBondContact O-N 3.41Å; T759-T761 PolarHBondContact O-N 3.46Å; T759-I762 PolarHBondContact O-N 3.15Å; T759-K763 PolarHBondContact O-N 3.18Å
760	W	95.8	Very high	93.4	Very high	151 Å²	151	34.6 Å²	34.6	57%	0.572	18%	0.184	S	C	*	.	H	α-helix	trans	-69.3	-31.6	-179.5	-82.6	96.7	0	0	0	112.7	Y709 A756 V758 G764	Y709-W760 HydrophobicContact CE2-CB 3.92Å; A756-W760 WeakPolarHBondContact O-CB 3.31Å; A756-W760 VanDerWaalsContact O-CD1 3.3Å; A756-W760 PolarHBondContact O-N 3.27Å; V758-W760 PolarHBondContact O-N 3.17Å; W760-G764 PolarHBondContact O-N 2.83Å
761	T	96.8	Very high	92.5	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.012	19%	0.19	C	C	.	.	H	α-helix	trans	-66.2	-43.7	172.3	-54	0	0	0	0	110.9	I720 L757 V758 T759 G764 A765	I720-T761 HydrophobicContact CD1-CG2 4.38Å; I720-T761 HydrophobicContact CG2-CG2 3.85Å; L757-T761 WeakPolarHBondContact O-CB 3.39Å; L757-T761 PolarHBondContact O-N 2.97Å; L757-T761 VanDerWaalsContact O-N 3.07Å; L757-T761 PolarHBondContact O-OG1 2.96Å; V758-T761 PolarHBondContact O-N 3.08Å; T759-T761 PolarHBondContact O-N 3.46Å; T761-G764 PolarHBondContact O-N 3.24Å; T761-A765 PolarHBondContact O-N 3.44Å
762	I	97	Very high	91.5	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-66.8	-43.8	178.5	-63.3	160.8	0	0	0	111.5	L638 L662 A665 F669 F705 I720 V758 T759 G764 A765 A766	L638-I762 HydrophobicContact CD1-CG2 3.92Å; L638-I762 HydrophobicContact CD2-CD1 3.63Å; L638-I762 HydrophobicContact CD2-CG1 4.01Å; L662-I762 HydrophobicContact CD1-CD1 3.58Å; A665-I762 HydrophobicContact CB-CB 4.15Å; A665-I762 HydrophobicContact CB-CG2 3.95Å; A665-I762 WeakPolarHBondContact O-CG2 3.46Å; F669-I762 HydrophobicContact CB-CG2 4.31Å; F705-I762 HydrophobicContact CE1-CG1 4.46Å; I720-I762 HydrophobicContact CD1-CD1 4.19Å; I720-I762 HydrophobicContact CD1-CG1 3.66Å; V758-I762 HydrophobicContact CG1-CD1 3.71Å; V758-I762 WeakPolarHBondContact O-CG1 3.27Å; V758-I762 PolarHBondContact O-N 2.77Å; T759-I762 PolarHBondContact O-N 3.15Å; I762-G764 VanDerWaalsContact C-N 3.29Å; I762-G764 PolarHBondContact O-N 3.01Å; I762-A765 PolarHBondContact O-N 2.81Å; I762-A766 WeakPolarHBondContact O-CB 3.43Å; I762-A766 PolarHBondContact O-N 2.77Å
763	K	94.7	Very high	90.4	Very high	22 Å²	22	40.1 Å²	40.1	10%	0.096	23%	0.228	C	C	.	.	H	α-helix	trans	-65	-34.1	174.2	-178.6	59.6	171.7	173.2	0	111.5	A665 D668 T759 A766 N767 D777	A665-K763 HydrophobicContact CB-CB 4.02Å; D668-K763 HydrophobicContact CB-CD 4.36Å; D668-K763 VanDerWaalsContact OD2-CD 3.27Å; D668-K763 WeakPolarHBondContact OD2-CD 3.11Å; D668-K763 WeakPolarHBondContact OD2-CE 3.47Å; D668-K763 IonicContact OD2-NZ 3.96Å; D668-K763 PolarHBondContact OD2-NZ 3.13Å; T759-K763 PolarHBondContact O-N 3.18Å; K763-A766 PolarHBondContact O-N 3.36Å; K763-N767 WeakPolarHBondContact CD-OD1 3.39Å; K763-N767 VanDerWaalsContact CE-OD1 3.23Å; K763-N767 WeakPolarHBondContact CE-OD1 3.43Å; K763-N767 PolarHBondContact NZ-OD1 3.1Å; K763-N767 WeakPolarHBondContact O-CB 3.22Å; K763-N767 VanDerWaalsContact O-CG 3.31Å; K763-N767 PolarHBondContact O-N 2.96Å; K763-N767 PolarHBondContact O-OD1 2.95Å; K763-D777 PolarHBondContact NZ-O 3.09Å
764	G	93	Very high	89.2	Confident	34 Å²	34	45.1 Å²	45.1	35%	0.351	24%	0.242	S	C	.	.	H	α-helix	trans	-59.8	-51.2	170.9	0	0	0	0	0	112.3	W760 T761 I762 A766 N767 A768	W760-G764 PolarHBondContact O-N 2.83Å; T761-G764 PolarHBondContact O-N 3.24Å; I762-G764 VanDerWaalsContact C-N 3.29Å; I762-G764 PolarHBondContact O-N 3.01Å; G764-A766 PolarHBondContact O-N 2.81Å; G764-N767 PolarHBondContact O-N 2.98Å; G764-A768 WeakPolarHBondContact O-CB 3.14Å; G764-A768 PolarHBondContact O-N 2.9Å
765	A	94.8	Very high	87.8	Confident	2 Å²	2	50.4 Å²	50.4	2%	0.017	27%	0.27	C	S	.	.	H	α-helix	trans	-62.2	-39.5	176.1	0	0	0	0	0	112.7	F669 D704 F705 T761 I762 A768 L769	F669-A765 HydrophobicContact CD2-CB 4.22Å; F669-A765 HydrophobicContact CE2-CB 4.23Å; D704-A765 HydrophobicContact CB-CB 3.8Å; F705-A765 HydrophobicContact CD1-CB 4.24Å; F705-A765 HydrophobicContact CE1-CB 4Å; F705-A765 HydrophobicContact CZ-CB 4.33Å; T761-A765 PolarHBondContact O-N 3.44Å; I762-A765 PolarHBondContact O-N 2.81Å; A765-A768 PolarHBondContact O-N 2.92Å; A765-L769 VanDerWaalsContact O-CB 3.31Å; A765-L769 WeakPolarHBondContact O-CB 3.17Å; A765-L769 PolarHBondContact O-N 2.87Å; A765-L769 VanDerWaalsContact O-N 3.08Å
766	A	94.1	Very high	86.3	Confident	1 Å²	1	51 Å²	51	1%	0.008	28%	0.275	C	S	.	.	H	α-helix	trans	-60.4	-54.6	173.8	0	0	0	0	0	111.5	D668 F669 A672 I762 K763 G764 A768 L769 V770	D668-A766 HydrophobicContact CB-CB 3.92Å; F669-A766 HydrophobicContact CB-CB 4.06Å; F669-A766 HydrophobicContact CD2-CB 4.45Å; A672-A766 WeakPolarHBondContact CB-O 3.4Å; I762-A766 WeakPolarHBondContact O-CB 3.43Å; I762-A766 PolarHBondContact O-N 2.77Å; K763-A766 PolarHBondContact O-N 3.36Å; G764-A766 PolarHBondContact O-N 2.81Å; A766-A768 PolarHBondContact O-N 3.06Å; A766-L769 PolarHBondContact O-N 3.09Å; A766-L769 VanDerWaalsContact O-N 3.16Å; A766-V770 WeakPolarHBondContact O-CG2 3.11Å; A766-V770 PolarHBondContact O-N 3.12Å
767	N	91.6	Very high	84.7	Confident	53 Å²	53	52.4 Å²	52.4	28%	0.283	28%	0.276	S	S	.	.	H	α-helix	trans	-63.4	-29.6	-179.8	-74	12.2	0	0	0	112.7	K763 G764 T776	K763-N767 WeakPolarHBondContact CD-OD1 3.39Å; K763-N767 VanDerWaalsContact CE-OD1 3.23Å; K763-N767 WeakPolarHBondContact CE-OD1 3.43Å; K763-N767 PolarHBondContact NZ-OD1 3.1Å; K763-N767 WeakPolarHBondContact O-CB 3.22Å; K763-N767 VanDerWaalsContact O-CG 3.31Å; K763-N767 PolarHBondContact O-N 2.96Å; K763-N767 PolarHBondContact O-OD1 2.95Å; G764-N767 PolarHBondContact O-N 2.98Å; N767-T776 HydrophobicContact CB-CG2 4.48Å
768	A	88.6	Confident	83.1	Confident	34 Å²	34	55.7 Å²	55.7	28%	0.281	29%	0.294	S	S	.	.	H	α-helix	trans	-80.9	-18.2	177.7	0	0	0	0	0	114.5	D704 G764 A765 A766	D704-A768 WeakPolarHBondContact OD2-CB 3.44Å; G764-A768 WeakPolarHBondContact O-CB 3.14Å; G764-A768 PolarHBondContact O-N 2.9Å; A765-A768 PolarHBondContact O-N 2.92Å; A766-A768 PolarHBondContact O-N 3.06Å
769	L	89.8	Confident	81.2	Confident	4 Å²	4	64.1 Å²	64.1	2%	0.021	33%	0.333	C	S	.	.	H	α-helix	trans	-88.6	-24.5	177.1	-172.3	58.3	0	0	0	112.6	F669 A672 V673 L676 R697 V701 A765 A766	F669-L769 HydrophobicContact CE2-CD2 4.09Å; F669-L769 HydrophobicContact CZ-CD2 4.33Å; A672-L769 HydrophobicContact CB-CB 4.09Å; A672-L769 HydrophobicContact CB-CD2 4.23Å; A672-L769 HydrophobicContact CB-CG 4.29Å; V673-L769 HydrophobicContact CG2-CD2 3.74Å; L676-L769 HydrophobicContact CD2-CD1 3.55Å; L676-L769 HydrophobicContact CD2-CG 4.41Å; R697-L769 PolarHBondContact NE-O 3.05Å; R697-L769 PolarHBondContact NH2-O 2.83Å; V701-L769 HydrophobicContact CG2-CD1 3.54Å; V701-L769 HydrophobicContact CG2-CD2 4.26Å; V701-L769 HydrophobicContact CG2-CG 4.5Å; A765-L769 VanDerWaalsContact O-CB 3.31Å; A765-L769 WeakPolarHBondContact O-CB 3.17Å; A765-L769 PolarHBondContact O-N 2.87Å; A765-L769 VanDerWaalsContact O-N 3.08Å; A766-L769 PolarHBondContact O-N 3.09Å; A766-L769 VanDerWaalsContact O-N 3.16Å
770	V	82.9	Confident	79.1	Confident	31 Å²	31	71.2 Å²	71.2	19%	0.188	36%	0.363	C	S	.	.	S	Bend	trans	-58.8	139.4	167	174.9	0	0	0	0	109.7	A672 A766 D772 D775 T776	A672-V770 HydrophobicContact CB-CG2 3.93Å; A766-V770 WeakPolarHBondContact O-CG2 3.11Å; A766-V770 PolarHBondContact O-N 3.12Å; V770-D772 WeakPolarHBondContact CG1-O 3.23Å; V770-D775 HydrophobicContact CG1-CB 3.47Å; V770-D775 VanDerWaalsContact CG1-CB 3.47Å; V770-T776 HydrophobicContact CB-CG2 4.17Å; V770-T776 HydrophobicContact CG1-CG2 3.94Å
771	G	72.6	Confident	78.3	Confident	44 Å²	44	67.3 Å²	67.3	45%	0.454	35%	0.353	S	S	.	.	S	Bend	trans	-74.7	-58.6	-171.6	0	0	0	0	0	113.6
772	D	73.2	Confident	77.3	Confident	100 Å²	100	70.7 Å²	70.7	54%	0.535	37%	0.371	S	S	.	.	S	Bend	trans	-105.3	146.5	178.6	-89.9	-55	0	0	0	111.6	V770 W774 D775	V770-D772 WeakPolarHBondContact CG1-O 3.23Å; D772-W774 PolarHBondContact O-N 3.3Å; D772-W774 VanDerWaalsContact O-N 3.11Å; D772-D775 WeakPolarHBondContact O-CB 3.45Å; D772-D775 PolarHBondContact O-N 3.5Å
773	I	68.9	Low	76.2	Confident	132 Å²	132	74.6 Å²	74.6	68%	0.677	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-59.1	-29.8	-178.2	-61.7	172.7	0	0	0	111.6	D775 T776	I773-D775 VanDerWaalsContact C-N 3.31Å; I773-D775 PolarHBondContact O-N 2.99Å; I773-T776 PolarHBondContact O-N 3.38Å; I773-T776 PolarHBondContact O-OG1 3.25Å
774	W	68.6	Low	75.1	Confident	224 Å²	224	77.6 Å²	77.6	85%	0.848	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-71.7	-21.8	179.5	-30.4	106.7	0	0	0	113.6	D772 T776	D772-W774 PolarHBondContact O-N 3.3Å; D772-W774 VanDerWaalsContact O-N 3.11Å; W774-T776 VanDerWaalsContact C-N 3.29Å
775	D	65.6	Low	74	Confident	112 Å²	112	80.4 Å²	80.4	60%	0.599	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-85.4	-1.7	177.5	-66.7	-28.6	0	0	0	112.2	V770 D772 I773 D777	V770-D775 HydrophobicContact CG1-CB 3.47Å; V770-D775 VanDerWaalsContact CG1-CB 3.47Å; D772-D775 WeakPolarHBondContact O-CB 3.45Å; D772-D775 PolarHBondContact O-N 3.5Å; I773-D775 VanDerWaalsContact C-N 3.31Å; I773-D775 PolarHBondContact O-N 2.99Å; D775-D777 PolarHBondContact O-N 3.07Å
776	T	64.4	Low	72.6	Confident	29 Å²	29	85.6 Å²	85.6	18%	0.178	44%	0.438	C	S	.	.			trans	-72.7	113.5	178.8	60.5	0	0	0	0	110.8	N767 V770 I773 W774 N778	N767-T776 HydrophobicContact CB-CG2 4.48Å; V770-T776 HydrophobicContact CB-CG2 4.17Å; V770-T776 HydrophobicContact CG1-CG2 3.94Å; I773-T776 PolarHBondContact O-N 3.38Å; I773-T776 PolarHBondContact O-OG1 3.25Å; W774-T776 VanDerWaalsContact C-N 3.29Å; T776-N778 PolarHBondContact O-N 3.01Å; T776-N778 PolarHBondContact O-ND2 2.77Å; T776-N778 PolarHBondContact OG1-ND2 3.46Å
777	D	59.4	Low	71.1	Confident	76 Å²	76	91.6 Å²	91.6	41%	0.406	47%	0.469	S	S	.	.			trans	-70.3	111.4	176.5	-157.4	-3	0	0	0	109.7	R671 K763 D775	R671-D777 IonicContact CZ-OD2 2.68Å; R671-D777 IonicContact NE-OD2 3.57Å; R671-D777 PolarHBondContact NE-OD2 3.11Å; R671-D777 IonicContact NH2-OD2 2.67Å; R671-D777 PolarHBondContact NH2-OD2 3.23Å; K763-D777 PolarHBondContact NZ-O 3.09Å; D775-D777 PolarHBondContact O-N 3.07Å
778	N	61.5	Low	69.5	Low	102 Å²	102	94.6 Å²	94.6	55%	0.545	48%	0.483	S	S	.	.			trans	-118.8	1.9	-174.7	-70.9	-68.8	0	0	0	112.8	T776	T776-N778 PolarHBondContact O-N 3.01Å; T776-N778 PolarHBondContact O-ND2 2.77Å; T776-N778 PolarHBondContact OG1-ND2 3.46Å
779	E	55.7	Low	67.9	Low	178 Å²	178	99.7 Å²	99.7	83%	0.832	50%	0.5	S	S	*	.			trans	-85.5	150.4	164.5	-60.8	-161.9	155.1	0	0	109.5
780	F	52.1	Low	65.9	Low	164 Å²	164	108.4 Å²	108.4	72%	0.719	54%	0.544	S	S	*	.			trans	-125.5	0	-173	-80	-88.4	0	0	0	110.6	W661 F664	W661-F780 AromaticContact CE3-CE1 3.94Å; W661-F780 HydrophobicContact CE3-CE1 3.94Å; W661-F780 HydrophobicContact CE3-CZ 4.24Å; W661-F780 HydrophobicContact CH2-CE1 4.41Å; W661-F780 HydrophobicContact CH2-CZ 4.29Å; W661-F780 AromaticContact CZ3-CE1 3.78Å; W661-F780 HydrophobicContact CZ3-CE1 3.78Å; W661-F780 HydrophobicContact CZ3-CE2 4.39Å; W661-F780 AromaticContact CZ3-CZ 3.67Å; W661-F780 HydrophobicContact CZ3-CZ 3.67Å; F664-F780 HydrophobicContact CD2-CD1 4.3Å

Retrieved 780 of 780 residues in 969 ms (Link to these results)

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