A0A5K4FFH1_SCHMA Loading...

Protein kinase domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FFH1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 712 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	30.7	Very low	48	Very low	233 Å²	233	102.3 Å²	102.3	100%	1.148	58%	0.582	S	S	*	*				0	126.1	0	-66.4	-163.4	-167.3	0	0	108.2	N3	M1-N3 PolarHBondContact O-N 3.18Å
2	G	35.6	Very low	50.5	Low	69 Å²	69	100.6 Å²	100.6	71%	0.711	57%	0.57	S	S	*	*			trans	-65.7	114.9	169.2	0	0	0	0	0	107.2	N4	G2-N4 VanDerWaalsContact C-N 3.33Å; G2-N4 PolarHBondContact O-N 3.44Å
3	N	39.3	Very low	52.8	Low	112 Å²	112	92.8 Å²	92.8	60%	0.599	53%	0.526	S	S	*	.			trans	-57.9	109.9	164.3	-78.3	-12.2	0	0	0	105.2	M1 I5	M1-N3 PolarHBondContact O-N 3.18Å; N3-I5 HydrophobicContact CB-CG1 4.08Å; N3-I5 PolarHBondContact O-N 3.49Å
4	N	38.8	Very low	54.9	Low	161 Å²	161	95.1 Å²	95.1	86%	0.861	53%	0.527	S	S	*	.			trans	-59	72.8	160.2	-74.3	-29.5	0	0	0	106.6	G2 S6	G2-N4 VanDerWaalsContact C-N 3.33Å; G2-N4 PolarHBondContact O-N 3.44Å; N4-S6 PolarHBondContact O-N 3.33Å
5	I	45.2	Very low	56.7	Low	86 Å²	86	90.7 Å²	90.7	44%	0.441	51%	0.505	S	S	.	.			trans	-68	94.1	159.7	-61.1	172.6	0	0	0	101.5	N3 D7	N3-I5 HydrophobicContact CB-CG1 4.08Å; N3-I5 PolarHBondContact O-N 3.49Å; I5-D7 PolarHBondContact O-N 3.15Å
6	S	47.2	Very low	58.4	Low	51 Å²	51	93.7 Å²	93.7	36%	0.357	52%	0.52	S	S	.	.			trans	-44.5	131.2	175.6	36	0	0	0	0	108.2	N4 P8 H11	N4-S6 PolarHBondContact O-N 3.33Å; S6-P8 WeakPolarHBondContact O-CD 3.24Å; S6-H11 WeakPolarHBondContact CB-NE2 3.41Å; S6-H11 PolarHBondContact OG-NE2 2.97Å
7	D	51.4	Low	60	Low	95 Å²	95	89.8 Å²	89.8	51%	0.508	50%	0.5	S	S	.	.			trans	-45.7	116.9	-175.2	-178.8	-0.6	0	0	0	109.4	I5 S9 I10	I5-D7 PolarHBondContact O-N 3.15Å; D7-S9 PolarHBondContact O-N 3.24Å; D7-S9 WeakPolarHBondContact OD1-CB 3.39Å; D7-S9 PolarHBondContact OD1-N 3.46Å; D7-S9 PolarHBondContact OD1-OG 3.26Å; D7-S9 WeakPolarHBondContact OD2-CB 3.41Å; D7-S9 PolarHBondContact OD2-OG 3.04Å; D7-I10 PolarHBondContact O-N 3.12Å; D7-I10 VanDerWaalsContact O-N 3.08Å
8	P	53.8	Low	61.5	Low	38 Å²	38	85.6 Å²	85.6	25%	0.247	48%	0.477	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-17.2	-179.2	-4.7	4.8	0	0	0	112.5	S6 I10 T41 Y42 K98	S6-P8 WeakPolarHBondContact O-CD 3.24Å; P8-I10 PolarHBondContact O-N 3.44Å; P8-T41 HydrophobicContact CB-CG2 4.29Å; P8-Y42 HydrophobicContact CB-CD1 4.46Å; P8-Y42 HydrophobicContact CB-CE1 3.71Å; P8-Y42 PolarHBondContact O-OH 3.36Å; P8-K98 PolarHBondContact O-NZ 3.06Å
9	S	57.9	Low	62.8	Low	72 Å²	72	87.7 Å²	87.7	50%	0.503	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-32	174.5	75.2	0	0	0	0	113.4	D7 K98	D7-S9 PolarHBondContact O-N 3.24Å; D7-S9 WeakPolarHBondContact OD1-CB 3.39Å; D7-S9 PolarHBondContact OD1-N 3.46Å; D7-S9 PolarHBondContact OD1-OG 3.26Å; D7-S9 WeakPolarHBondContact OD2-CB 3.41Å; D7-S9 PolarHBondContact OD2-OG 3.04Å; S9-K98 VanDerWaalsContact C-NZ 3.31Å; S9-K98 PolarHBondContact O-NZ 2.98Å
10	I	59.3	Low	63.7	Low	136 Å²	136	86.4 Å²	86.4	70%	0.697	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-31.3	-171.6	-52.6	177	0	0	0	113	D7 P8	D7-I10 PolarHBondContact O-N 3.12Å; D7-I10 VanDerWaalsContact O-N 3.08Å; P8-I10 PolarHBondContact O-N 3.44Å
11	H	68.6	Low	64.7	Low	72 Å²	72	84.6 Å²	84.6	33%	0.333	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-87.3	135.9	-171.2	-69.7	-71.7	0	0	0	113.4	S6 T41 Y42 K98	S6-H11 WeakPolarHBondContact CB-NE2 3.41Å; S6-H11 PolarHBondContact OG-NE2 2.97Å; H11-T41 HydrophobicContact CB-CG2 4.2Å; H11-Y42 HydrophobicContact CB-CE2 4.33Å; H11-Y42 PolarHBondContact O-OH 2.8Å; H11-K98 PolarHBondContact O-NZ 3.26Å
12	L	78.5	Confident	67.5	Low	82 Å²	82	77.1 Å²	77.1	43%	0.429	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-76.4	146.9	170.9	-170	64.1	0	0	0	111	Q39 C100	L12-Q39 PolarHBondContact O-NE2 3.4Å; L12-C100 HydrophobicContact CD1-CB 3.83Å
13	V	80.5	Confident	70.2	Confident	0 Å²	0	76.9 Å²	76.9	0%	0	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-78.7	118.9	167.6	179.6	0	0	0	0	107.7	L18 Y42 I47 C100 C108 V110	V13-L18 HydrophobicContact CG1-CD2 4.01Å; V13-Y42 HydrophobicContact CG2-CD2 4.11Å; V13-Y42 HydrophobicContact CG2-CE2 3.72Å; V13-I47 HydrophobicContact CG1-CD1 4.08Å; V13-I47 HydrophobicContact CG1-CG1 4.26Å; V13-I47 HydrophobicContact CG1-CG2 4.22Å; V13-I47 HydrophobicContact CG2-CD1 4.06Å; V13-C100 VanDerWaalsContact CG2-SG 3.51Å; V13-C108 HydrophobicContact CB-CB 4.41Å; V13-C108 HydrophobicContact CG1-CB 4.38Å; V13-V110 HydrophobicContact CG2-CG2 3.54Å
14	K	82.2	Confident	72.6	Confident	125 Å²	125	72.3 Å²	72.3	54%	0.543	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-91.8	122.1	-179	-63.9	-176.8	177.9	-173.7	0	109.2	D16 C17	K14-D16 PolarHBondContact O-N 2.92Å; K14-C17 HydrophobicContact CB-CB 4.36Å; K14-C17 WeakPolarHBondContact O-CB 3.36Å; K14-C17 PolarHBondContact O-N 2.74Å
15	S	81.8	Confident	75.1	Confident	28 Å²	28	66.5 Å²	66.5	20%	0.196	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-55.3	-37.1	179.7	-70	0	0	0	0	113	C17 L18 K49 D102	S15-C17 PolarHBondContact O-N 2.68Å; S15-C17 VanDerWaalsContact O-N 3.15Å; S15-L18 VanDerWaalsContact O-CB 3.32Å; S15-L18 WeakPolarHBondContact O-CB 3.41Å; S15-L18 WeakPolarHBondContact O-CG 3.11Å; S15-L18 PolarHBondContact O-N 3.45Å; S15-K49 PolarHBondContact OG-NZ 3.32Å; S15-D102 WeakPolarHBondContact CB-OD2 3.37Å; S15-D102 PolarHBondContact N-OD2 3.01Å; S15-D102 PolarHBondContact OG-OD2 2.75Å
16	D	83.2	Confident	77.2	Confident	139 Å²	139	68.7 Å²	68.7	74%	0.743	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-66.3	-16.9	-179.8	-60.8	-21.8	0	0	0	114	K14 R19	K14-D16 PolarHBondContact O-N 2.92Å; D16-R19 PolarHBondContact O-NH1 3.34Å; D16-R19 PolarHBondContact O-NH2 3.27Å
17	C	85.8	Confident	79	Confident	28 Å²	28	67.3 Å²	67.3	19%	0.189	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-92	-6	175.9	-61.6	0	0	0	0	113.1	K14 S15 T37 V38 Q39	K14-C17 HydrophobicContact CB-CB 4.36Å; K14-C17 WeakPolarHBondContact O-CB 3.36Å; K14-C17 PolarHBondContact O-N 2.74Å; S15-C17 PolarHBondContact O-N 2.68Å; S15-C17 VanDerWaalsContact O-N 3.15Å; C17-T37 WeakPolarHBondContact O-CA 3.47Å; C17-V38 HydrophobicContact CB-CG2 3.88Å; C17-V38 PolarHBondContact O-N 3.48Å; C17-V38 VanDerWaalsContact O-N 3.08Å; C17-Q39 HydrophobicContact CB-CG 3.53Å
18	L	87.3	Confident	80.3	Confident	14 Å²	14	66.9 Å²	66.9	7%	0.073	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	143.6	173.8	-57.3	-177.6	0	0	0	110.2	V13 S15 H35 H36 I47 K49	V13-L18 HydrophobicContact CG1-CD2 4.01Å; S15-L18 VanDerWaalsContact O-CB 3.32Å; S15-L18 WeakPolarHBondContact O-CB 3.41Å; S15-L18 WeakPolarHBondContact O-CG 3.11Å; S15-L18 PolarHBondContact O-N 3.45Å; L18-H35 HydrophobicContact CB-CB 4.05Å; L18-H35 HydrophobicContact CD1-CB 4.4Å; L18-H35 HydrophobicContact CD2-CB 4.11Å; L18-H35 HydrophobicContact CG-CB 4.41Å; L18-H36 WeakPolarHBondContact CA-O 3.31Å; L18-I47 HydrophobicContact CD1-CG2 4.44Å; L18-I47 HydrophobicContact CD2-CB 3.94Å; L18-I47 HydrophobicContact CD2-CG1 3.75Å; L18-I47 HydrophobicContact CD2-CG2 3.99Å; L18-K49 HydrophobicContact CD1-CD 3.99Å
19	R	86.4	Confident	81.6	Confident	126 Å²	126	67.1 Å²	67.1	48%	0.475	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	161.3	-178	-66.6	-67.4	178.7	-97.4	1.3	109.6	D16 G21 H36 V38	D16-R19 PolarHBondContact O-NH1 3.34Å; D16-R19 PolarHBondContact O-NH2 3.27Å; R19-G21 VanDerWaalsContact C-N 3.32Å; R19-G21 PolarHBondContact O-N 3.02Å; R19-H36 WeakPolarHBondContact CB-CE1 3.35Å; R19-H36 VanDerWaalsContact CB-NE2 3.33Å; R19-H36 WeakPolarHBondContact CB-NE2 3.4Å; R19-H36 PolarHBondContact N-O 3.2Å; R19-H36 PolarHBondContact O-CE1 3.46Å; R19-H36 VanDerWaalsContact O-CE1 3.29Å; R19-H36 PolarHBondContact O-N 3.22Å; R19-H36 VanDerWaalsContact O-N 3.16Å; R19-H36 PolarHBondContact O-ND1 3.35Å; R19-V38 HydrophobicContact CG-CG1 4.03Å
20	G	80.6	Confident	82.8	Confident	60 Å²	60	63.8 Å²	63.8	62%	0.619	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	57.2	40.3	170.8	0	0	0	0	0	114.1	F22 H36	G20-F22 PolarHBondContact O-N 2.94Å; G20-H36 PolarHBondContact N-CE1 2.9Å; G20-H36 VanDerWaalsContact N-CE1 3.34Å
21	G	84.5	Confident	84.2	Confident	50 Å²	50	60 Å²	60	52%	0.515	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	120.8	-175.6	0	0	0	0	0	112.3	R19 F34 H35	R19-G21 VanDerWaalsContact C-N 3.32Å; R19-G21 PolarHBondContact O-N 3.02Å; G21-F34 CarbonylContact C-O 3.49Å; G21-F34 WeakPolarHBondContact CA-O 3.44Å; G21-H35 VanDerWaalsContact CA-CE1 3.47Å; G21-H35 WeakPolarHBondContact CA-CE1 3.26Å; G21-H35 VanDerWaalsContact CA-ND1 3.34Å; G21-H35 WeakPolarHBondContact CA-ND1 3.29Å
22	F	89.2	Confident	85.3	Confident	75 Å²	75	56.7 Å²	56.7	33%	0.329	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	121.9	171.2	178.8	-91.8	0	0	0	108.8	G20 I24 S33 F34 P116 A119	G20-F22 PolarHBondContact O-N 2.94Å; F22-I24 HydrophobicContact CD1-CG1 4.44Å; F22-I24 PolarHBondContact O-N 3.07Å; F22-S33 CarbonylContact O-C 3.57Å; F22-S33 VanDerWaalsContact O-CA 3.25Å; F22-S33 WeakPolarHBondContact O-CA 3.39Å; F22-F34 HydrophobicContact CB-CB 4.44Å; F22-F34 PolarHBondContact N-O 2.88Å; F22-F34 PolarHBondContact O-N 3.28Å; F22-P116 HydrophobicContact CD1-CB 4.49Å; F22-P116 HydrophobicContact CD1-CG 4.13Å; F22-P116 HydrophobicContact CE1-CB 4.36Å; F22-P116 HydrophobicContact CE1-CG 4.49Å; F22-A119 HydrophobicContact CD1-CB 4.12Å; F22-A119 HydrophobicContact CD2-CB 4.13Å; F22-A119 HydrophobicContact CE1-CB 3.76Å; F22-A119 HydrophobicContact CE2-CB 3.76Å; F22-A119 HydrophobicContact CG-CB 4.3Å; F22-A119 HydrophobicContact CZ-CB 3.56Å
23	S	91.8	Very high	86	Confident	65 Å²	65	53.6 Å²	53.6	46%	0.455	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	120.4	175.4	-171.7	0	0	0	0	109.5
24	I	91	Very high	86.6	Confident	16 Å²	16	54.5 Å²	54.5	8%	0.082	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	-51.7	177.3	-52	-177.3	0	0	0	108.9	F22 V32 F34 I48 P116 T157 F160	F22-I24 HydrophobicContact CD1-CG1 4.44Å; F22-I24 PolarHBondContact O-N 3.07Å; I24-V32 HydrophobicContact CD1-CG1 4.07Å; I24-V32 PolarHBondContact N-O 2.77Å; I24-F34 HydrophobicContact CD1-CB 4.15Å; I24-F34 HydrophobicContact CG1-CB 4.2Å; I24-I48 HydrophobicContact CD1-CG2 4.45Å; I24-P116 HydrophobicContact CD1-CG 4.28Å; I24-P116 HydrophobicContact CG1-CG 4.28Å; I24-T157 HydrophobicContact CG2-CG2 4.38Å; I24-T157 WeakPolarHBondContact CG2-O 3.33Å; I24-F160 HydrophobicContact CD1-CE2 4.03Å; I24-F160 HydrophobicContact CD1-CZ 3.69Å
25	Y	90	Very high	87.1	Confident	38 Å²	38	49.8 Å²	49.8	15%	0.149	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.4	165.9	171.9	69.1	-88.1	0	0	0	110.6	V32 T157 E173	Y25-V32 HydrophobicContact CD1-CB 4.2Å; Y25-V32 HydrophobicContact CD1-CG2 4.47Å; Y25-V32 HydrophobicContact CE1-CB 3.82Å; Y25-V32 HydrophobicContact CE1-CG1 4.35Å; Y25-V32 HydrophobicContact CE1-CG2 3.73Å; Y25-V32 HydrophobicContact CE2-CG2 3.96Å; Y25-V32 VanDerWaalsContact CZ-CG2 3.42Å; Y25-V32 PolarHBondContact N-O 2.78Å; Y25-V32 PolarHBondContact O-N 3.45Å; Y25-V32 WeakPolarHBondContact OH-CG2 3.46Å; Y25-T157 HydrophobicContact CD1-CG2 4.39Å; Y25-E173 PolarHBondContact OH-OE1 3.33Å
26	K	89.9	Confident	87.6	Confident	133 Å²	133	52.4 Å²	52.4	58%	0.578	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.5	133.1	172.9	-177.6	173.4	-175.3	148.9	0	109.6	Y30 E31 T53	K26-Y30 WeakPolarHBondContact CA-O 3.37Å; K26-E31 HydrophobicContact CB-CB 4.5Å; K26-E31 HydrophobicContact CB-CG 4.31Å; K26-E31 HydrophobicContact CD-CB 4.37Å; K26-E31 HydrophobicContact CD-CG 4.23Å; K26-E31 WeakPolarHBondContact CE-OE2 3.45Å; K26-E31 HydrophobicContact CG-CB 4.12Å; K26-E31 HydrophobicContact CG-CG 4.27Å; K26-E31 IonicContact NZ-OE2 3.5Å; K26-E31 PolarHBondContact NZ-OE2 3.02Å; K26-T53 HydrophobicContact CG-CG2 4.42Å
27	N	84.4	Confident	87.8	Confident	21 Å²	21	46.2 Å²	46.2	11%	0.112	25%	0.253	C	S	.	.			trans	-133.9	-172.7	171.6	66.1	28.6	0	0	0	110.3	N29 Y30 T53 L192	N27-N29 PolarHBondContact O-N 2.88Å; N27-N29 PolarHBondContact OD1-N 3.14Å; N27-Y30 PolarHBondContact N-O 3.12Å; N27-Y30 PolarHBondContact OD1-N 2.77Å; N27-Y30 PolarHBondContact OD1-O 3.34Å; N27-T53 PolarHBondContact O-OG1 3.14Å; N27-L192 WeakPolarHBondContact CB-O 3.37Å
28	D	80.5	Confident	87.9	Confident	87 Å²	87	49 Å²	49	47%	0.465	27%	0.269	S	S	.	.	S	Bend	trans	-65.2	-18.8	-177	-66.3	-21.1	0	0	0	114.1	T53 T55 L192	D28-T53 PolarHBondContact O-OG1 3.17Å; D28-T55 WeakPolarHBondContact O-CG2 3.49Å; D28-L192 HydrophobicContact CB-CD2 4.47Å
29	N	79.6	Confident	87.9	Confident	42 Å²	42	49.2 Å²	49.2	23%	0.225	27%	0.27	C	S	.	.	S	Bend	trans	-100	-42.3	-179.1	-66	-17.9	0	0	0	112.7	N27 K52 T53	N27-N29 PolarHBondContact O-N 2.88Å; N27-N29 PolarHBondContact OD1-N 3.14Å; N29-K52 WeakPolarHBondContact O-CA 3.31Å; N29-T53 WeakPolarHBondContact CA-OG1 3.27Å; N29-T53 PolarHBondContact N-OG1 3.43Å; N29-T53 PolarHBondContact O-N 3.4Å; N29-T53 PolarHBondContact O-OG1 3.46Å
30	Y	83.4	Confident	87.9	Confident	2 Å²	2	48.1 Å²	48.1	1%	0.008	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	149	-172.7	-52.2	-73.5	0	0	0	113.6	K26 N27 L51 K52 T53 C76 L79	K26-Y30 WeakPolarHBondContact CA-O 3.37Å; N27-Y30 PolarHBondContact N-O 3.12Å; N27-Y30 PolarHBondContact OD1-N 2.77Å; N27-Y30 PolarHBondContact OD1-O 3.34Å; Y30-L51 CarbonylContact C-O 3.6Å; Y30-L51 VanDerWaalsContact CA-O 3.24Å; Y30-L51 WeakPolarHBondContact CA-O 3.35Å; Y30-K52 HydrophobicContact CD1-CB 4.38Å; Y30-K52 HydrophobicContact CE1-CB 4.46Å; Y30-K52 HydrophobicContact CE1-CG 4.43Å; Y30-T53 PolarHBondContact N-OG1 3.5Å; Y30-C76 HydrophobicContact CE2-CB 4.12Å; Y30-C76 WeakPolarHBondContact OH-CB 3.45Å; Y30-C76 PolarHBondContact OH-O 3.37Å; Y30-L79 HydrophobicContact CD1-CD2 4.24Å; Y30-L79 HydrophobicContact CE1-CD2 3.53Å; Y30-L79 HydrophobicContact CE1-CG 4.49Å
31	E	89.7	Confident	88.1	Confident	58 Å²	58	46.2 Å²	46.2	27%	0.271	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	124.3	157.7	-173.9	172.9	153.7	0	0	108.7	K26 L51 T53	K26-E31 HydrophobicContact CB-CB 4.5Å; K26-E31 HydrophobicContact CB-CG 4.31Å; K26-E31 HydrophobicContact CD-CB 4.37Å; K26-E31 HydrophobicContact CD-CG 4.23Å; K26-E31 WeakPolarHBondContact CE-OE2 3.45Å; K26-E31 HydrophobicContact CG-CB 4.12Å; K26-E31 HydrophobicContact CG-CG 4.27Å; K26-E31 IonicContact NZ-OE2 3.5Å; K26-E31 PolarHBondContact NZ-OE2 3.02Å; E31-L51 PolarHBondContact N-O 3.18Å; E31-L51 PolarHBondContact O-N 3.41Å; E31-T53 HydrophobicContact CB-CG2 4.33Å
32	V	91.6	Very high	88.1	Confident	2 Å²	2	43.8 Å²	43.8	1%	0.012	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	125.3	-178.9	-172.2	0	0	0	0	109.4	I24 Y25 I48 K49 Y50	I24-V32 HydrophobicContact CD1-CG1 4.07Å; I24-V32 PolarHBondContact N-O 2.77Å; Y25-V32 HydrophobicContact CD1-CB 4.2Å; Y25-V32 HydrophobicContact CD1-CG2 4.47Å; Y25-V32 HydrophobicContact CE1-CB 3.82Å; Y25-V32 HydrophobicContact CE1-CG1 4.35Å; Y25-V32 HydrophobicContact CE1-CG2 3.73Å; Y25-V32 HydrophobicContact CE2-CG2 3.96Å; Y25-V32 VanDerWaalsContact CZ-CG2 3.42Å; Y25-V32 PolarHBondContact N-O 2.78Å; Y25-V32 PolarHBondContact O-N 3.45Å; Y25-V32 WeakPolarHBondContact OH-CG2 3.46Å; V32-I48 HydrophobicContact CG1-CG2 3.7Å; V32-K49 WeakPolarHBondContact CA-O 3.48Å; V32-Y50 HydrophobicContact CB-CD1 4.46Å; V32-Y50 HydrophobicContact CG1-CD1 4.25Å; V32-Y50 HydrophobicContact CG1-CD2 4.5Å; V32-Y50 HydrophobicContact CG1-CE1 4.06Å; V32-Y50 HydrophobicContact CG1-CE2 4.3Å; V32-Y50 HydrophobicContact CG1-CG 4.46Å; V32-Y50 HydrophobicContact CG2-CD1 3.41Å; V32-Y50 VanDerWaalsContact CG2-CD1 3.41Å; V32-Y50 HydrophobicContact CG2-CE1 3.58Å; V32-Y50 HydrophobicContact CG2-CG 4.16Å
33	S	93	Very high	87.8	Confident	16 Å²	16	44.6 Å²	44.6	11%	0.112	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	148.9	-175.1	53.3	0	0	0	0	112.2	F22 H35 I48 K49	F22-S33 CarbonylContact O-C 3.57Å; F22-S33 VanDerWaalsContact O-CA 3.25Å; F22-S33 WeakPolarHBondContact O-CA 3.39Å; S33-H35 VanDerWaalsContact CB-NE2 3.34Å; S33-H35 WeakPolarHBondContact CB-NE2 3.37Å; S33-H35 PolarHBondContact OG-NE2 2.96Å; S33-I48 CarbonylContact O-C 3.26Å; S33-I48 WeakPolarHBondContact O-CA 3.43Å; S33-K49 PolarHBondContact N-O 3.4Å; S33-K49 PolarHBondContact O-N 2.96Å; S33-K49 PolarHBondContact OG-O 3.18Å
34	F	93.5	Very high	87.5	Confident	20 Å²	20	47.3 Å²	47.3	9%	0.088	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	134.2	-180	171.6	-98.8	0	0	0	110.8	G21 F22 I24 R46 I47 I48 S114 V115 P116 F160	G21-F34 CarbonylContact C-O 3.49Å; G21-F34 WeakPolarHBondContact CA-O 3.44Å; F22-F34 HydrophobicContact CB-CB 4.44Å; F22-F34 PolarHBondContact N-O 2.88Å; F22-F34 PolarHBondContact O-N 3.28Å; I24-F34 HydrophobicContact CD1-CB 4.15Å; I24-F34 HydrophobicContact CG1-CB 4.2Å; F34-R46 HydrophobicContact CD2-CB 4.32Å; F34-R46 HydrophobicContact CE2-CB 3.37Å; F34-R46 HydrophobicContact CE2-CG 3.69Å; F34-R46 HydrophobicContact CZ-CB 3.78Å; F34-R46 VanDerWaalsContact CZ-CD 3.5Å; F34-R46 HydrophobicContact CZ-CG 3.56Å; F34-I47 CarbonylContact C-O 3.57Å; F34-I47 WeakPolarHBondContact CA-O 3.33Å; F34-I48 HydrophobicContact CD2-CG1 4.47Å; F34-S114 WeakPolarHBondContact CE2-O 3.15Å; F34-S114 VanDerWaalsContact CZ-O 3.25Å; F34-S114 WeakPolarHBondContact CZ-O 3.29Å; F34-V115 HydrophobicContact CE1-CG1 4.41Å; F34-V115 HydrophobicContact CZ-CB 4.31Å; F34-V115 HydrophobicContact CZ-CG1 4.1Å; F34-P116 HydrophobicContact CB-CG 3.75Å; F34-P116 HydrophobicContact CD1-CG 4.08Å; F34-P116 HydrophobicContact CD2-CG 4.15Å; F34-P116 HydrophobicContact CG-CG 3.74Å; F34-F160 AromaticContact CD2-CE1 3.62Å; F34-F160 HydrophobicContact CD2-CE1 3.62Å; F34-F160 HydrophobicContact CD2-CZ 4.18Å; F34-F160 AromaticContact CE2-CE1 3.81Å; F34-F160 HydrophobicContact CE2-CE1 3.81Å
35	H	93.1	Very high	87.5	Confident	25 Å²	25	48.5 Å²	48.5	12%	0.116	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	152.2	-174	-57.6	-98.8	0	0	0	112.1	L18 G21 S33 I47	L18-H35 HydrophobicContact CB-CB 4.05Å; L18-H35 HydrophobicContact CD1-CB 4.4Å; L18-H35 HydrophobicContact CD2-CB 4.11Å; L18-H35 HydrophobicContact CG-CB 4.41Å; G21-H35 VanDerWaalsContact CA-CE1 3.47Å; G21-H35 WeakPolarHBondContact CA-CE1 3.26Å; G21-H35 VanDerWaalsContact CA-ND1 3.34Å; G21-H35 WeakPolarHBondContact CA-ND1 3.29Å; S33-H35 VanDerWaalsContact CB-NE2 3.34Å; S33-H35 WeakPolarHBondContact CB-NE2 3.37Å; S33-H35 PolarHBondContact OG-NE2 2.96Å; H35-I47 HydrophobicContact CB-CB 4.35Å; H35-I47 PolarHBondContact N-O 2.86Å; H35-I47 PolarHBondContact O-N 3.34Å
36	H	90.4	Very high	87.6	Confident	83 Å²	83	48 Å²	48	38%	0.384	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	165	156.2	70.5	-61.6	0	0	0	109.7	L18 R19 G20	L18-H36 WeakPolarHBondContact CA-O 3.31Å; R19-H36 WeakPolarHBondContact CB-CE1 3.35Å; R19-H36 VanDerWaalsContact CB-NE2 3.33Å; R19-H36 WeakPolarHBondContact CB-NE2 3.4Å; R19-H36 PolarHBondContact N-O 3.2Å; R19-H36 PolarHBondContact O-CE1 3.46Å; R19-H36 VanDerWaalsContact O-CE1 3.29Å; R19-H36 PolarHBondContact O-N 3.22Å; R19-H36 VanDerWaalsContact O-N 3.16Å; R19-H36 PolarHBondContact O-ND1 3.35Å; G20-H36 PolarHBondContact N-CE1 2.9Å; G20-H36 VanDerWaalsContact N-CE1 3.34Å
37	T	88.1	Confident	87.7	Confident	10 Å²	10	41.7 Å²	41.7	6%	0.061	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	141.5	-179.1	179.1	0	0	0	0	111.1	C17 Q39 Y42 I47	C17-T37 WeakPolarHBondContact O-CA 3.47Å; T37-Q39 VanDerWaalsContact C-N 3.27Å; T37-Q39 WeakPolarHBondContact OG1-CB 3.44Å; T37-Q39 WeakPolarHBondContact OG1-CG 3.5Å; T37-Q39 PolarHBondContact OG1-N 3.38Å; T37-Q39 VanDerWaalsContact OG1-N 3.12Å; T37-Y42 VanDerWaalsContact CG2-CB 3.44Å; T37-I47 HydrophobicContact CG2-CG1 4.21Å
38	V	87.4	Confident	88.1	Confident	85 Å²	85	40.8 Å²	40.8	52%	0.515	21%	0.212	S	C	.	.			trans	-85	-0.9	172.4	-60.3	0	0	0	0	112.5	C17 R19 P40	C17-V38 HydrophobicContact CB-CG2 3.88Å; C17-V38 PolarHBondContact O-N 3.48Å; C17-V38 VanDerWaalsContact O-N 3.08Å; R19-V38 HydrophobicContact CG-CG1 4.03Å; V38-P40 VanDerWaalsContact O-CD 3.32Å; V38-P40 WeakPolarHBondContact O-CD 3.38Å
39	Q	88.8	Confident	88.6	Confident	19 Å²	19	38.5 Å²	38.5	9%	0.089	20%	0.198	C	C	.	.			trans	-66.9	121.1	176.2	-68.9	179.3	-103.9	0	0	110.1	L12 C17 T37 T41 Y42 N43	L12-Q39 PolarHBondContact O-NE2 3.4Å; C17-Q39 HydrophobicContact CB-CG 3.53Å; T37-Q39 VanDerWaalsContact C-N 3.27Å; T37-Q39 WeakPolarHBondContact OG1-CB 3.44Å; T37-Q39 WeakPolarHBondContact OG1-CG 3.5Å; T37-Q39 PolarHBondContact OG1-N 3.38Å; T37-Q39 VanDerWaalsContact OG1-N 3.12Å; Q39-T41 PolarHBondContact O-N 3.35Å; Q39-T41 VanDerWaalsContact O-N 3.14Å; Q39-Y42 HydrophobicContact CB-CD2 4.15Å; Q39-Y42 CarbonylContact O-C 3.6Å; Q39-Y42 PolarHBondContact O-N 3.03Å; Q39-N43 PolarHBondContact O-N 3.09Å; Q39-N43 VanDerWaalsContact O-N 3.09Å
40	P	85.8	Confident	89.1	Confident	104 Å²	104	36.9 Å²	36.9	68%	0.675	19%	0.189	S	C	*	.	G	3₁₀ helix	trans	-56.6	-34	-178.8	-27.8	36	0	0	0	113.7	V38 Y42 N43	V38-P40 VanDerWaalsContact O-CD 3.32Å; V38-P40 WeakPolarHBondContact O-CD 3.38Å; P40-Y42 PolarHBondContact O-N 2.76Å; P40-N43 VanDerWaalsContact O-CG 3.27Å; P40-N43 PolarHBondContact O-OD1 3.4Å
41	T	84.3	Confident	89.3	Confident	19 Å²	19	40.2 Å²	40.2	12%	0.117	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-60.2	-31.9	176.5	-46.4	0	0	0	0	112.7	P8 H11 Q39	P8-T41 HydrophobicContact CB-CG2 4.29Å; H11-T41 HydrophobicContact CB-CG2 4.2Å; Q39-T41 PolarHBondContact O-N 3.35Å; Q39-T41 VanDerWaalsContact O-N 3.14Å
42	Y	84.1	Confident	89.1	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-116.7	7	-170.2	-62.6	-59	0	0	0	114.2	P8 H11 V13 T37 Q39 P40 K44 F45 K98 V110	P8-Y42 HydrophobicContact CB-CD1 4.46Å; P8-Y42 HydrophobicContact CB-CE1 3.71Å; P8-Y42 PolarHBondContact O-OH 3.36Å; H11-Y42 HydrophobicContact CB-CE2 4.33Å; H11-Y42 PolarHBondContact O-OH 2.8Å; V13-Y42 HydrophobicContact CG2-CD2 4.11Å; V13-Y42 HydrophobicContact CG2-CE2 3.72Å; T37-Y42 VanDerWaalsContact CG2-CB 3.44Å; Q39-Y42 HydrophobicContact CB-CD2 4.15Å; Q39-Y42 CarbonylContact O-C 3.6Å; Q39-Y42 PolarHBondContact O-N 3.03Å; P40-Y42 PolarHBondContact O-N 2.76Å; Y42-K44 PolarHBondContact O-N 3.41Å; Y42-K44 VanDerWaalsContact O-N 3.08Å; Y42-F45 HydrophobicContact CD1-CD2 4.28Å; Y42-F45 WeakPolarHBondContact O-CB 3.39Å; Y42-F45 PolarHBondContact O-N 3.34Å; Y42-K98 PolarHBondContact OH-NZ 3.4Å; Y42-V110 HydrophobicContact CD1-CG1 3.73Å; Y42-V110 HydrophobicContact CD1-CG2 4.17Å; Y42-V110 HydrophobicContact CE1-CG1 4Å; Y42-V110 HydrophobicContact CE1-CG2 3.89Å
43	N	83	Confident	88.6	Confident	92 Å²	92	41.5 Å²	41.5	49%	0.492	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-21.7	-172.9	64.2	0.7	0	0	0	114.8	Q39 P40	Q39-N43 PolarHBondContact O-N 3.09Å; Q39-N43 VanDerWaalsContact O-N 3.09Å; P40-N43 VanDerWaalsContact O-CG 3.27Å; P40-N43 PolarHBondContact O-OD1 3.4Å
44	K	86.3	Confident	87.4	Confident	121 Å²	121	47.6 Å²	47.6	53%	0.526	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-5.4	174.5	-67.1	-179.4	-175.8	-179.6	0	114	Y42	Y42-K44 PolarHBondContact O-N 3.41Å; Y42-K44 VanDerWaalsContact O-N 3.08Å
45	F	91	Very high	85.5	Confident	41 Å²	41	51 Å²	51	18%	0.18	26%	0.263	C	S	.	.	S	Bend	trans	-111	177.1	-176.2	-61.4	-79.1	0	0	0	110.3	Y42 H97 V110 V111	Y42-F45 HydrophobicContact CD1-CD2 4.28Å; Y42-F45 WeakPolarHBondContact O-CB 3.39Å; Y42-F45 PolarHBondContact O-N 3.34Å; F45-H97 AromaticContact CD1-CD2 3.92Å; F45-H97 AromaticContact CE1-CD2 3.7Å; F45-H97 AromaticContact CE1-CE1 3.66Å; F45-H97 AromaticContact CE1-CG 3.79Å; F45-H97 AromaticContact CE1-ND1 3.76Å; F45-H97 AromaticContact CE1-NE2 3.63Å; F45-V110 HydrophobicContact CB-CG1 3.68Å; F45-V110 HydrophobicContact CD1-CG1 4.24Å; F45-V110 HydrophobicContact CD2-CG1 4.37Å; F45-V110 HydrophobicContact CG-CG1 3.85Å; F45-V111 WeakPolarHBondContact CB-O 3.36Å; F45-V111 WeakPolarHBondContact CD1-O 3.47Å
46	R	92.1	Very high	83.1	Confident	28 Å²	28	55.2 Å²	55.2	11%	0.106	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	159.4	170.4	-62	-67.6	-178.9	-98.5	-0	110.1	F34 V111 N113	F34-R46 HydrophobicContact CD2-CB 4.32Å; F34-R46 HydrophobicContact CE2-CB 3.37Å; F34-R46 HydrophobicContact CE2-CG 3.69Å; F34-R46 HydrophobicContact CZ-CB 3.78Å; F34-R46 VanDerWaalsContact CZ-CD 3.5Å; F34-R46 HydrophobicContact CZ-CG 3.56Å; R46-V111 HydrophobicContact CB-CG2 3.9Å; R46-V111 PolarHBondContact N-O 3.01Å; R46-V111 WeakPolarHBondContact O-CG2 3.39Å; R46-V111 PolarHBondContact O-N 3.38Å; R46-N113 PolarHBondContact NE-OD1 3.33Å; R46-N113 PolarHBondContact NH1-OD1 3.34Å; R46-N113 PolarHBondContact NH2-OD1 2.98Å
47	I	92.5	Very high	80.7	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	123	-176.4	-51	-62	0	0	0	109.1	V13 L18 F34 H35 T37 C108 L109 V110	V13-I47 HydrophobicContact CG1-CD1 4.08Å; V13-I47 HydrophobicContact CG1-CG1 4.26Å; V13-I47 HydrophobicContact CG1-CG2 4.22Å; V13-I47 HydrophobicContact CG2-CD1 4.06Å; L18-I47 HydrophobicContact CD1-CG2 4.44Å; L18-I47 HydrophobicContact CD2-CB 3.94Å; L18-I47 HydrophobicContact CD2-CG1 3.75Å; L18-I47 HydrophobicContact CD2-CG2 3.99Å; F34-I47 CarbonylContact C-O 3.57Å; F34-I47 WeakPolarHBondContact CA-O 3.33Å; H35-I47 HydrophobicContact CB-CB 4.35Å; H35-I47 PolarHBondContact N-O 2.86Å; H35-I47 PolarHBondContact O-N 3.34Å; T37-I47 HydrophobicContact CG2-CG1 4.21Å; I47-C108 HydrophobicContact CG2-CB 3.94Å; I47-L109 CarbonylContact C-O 3.6Å; I47-L109 WeakPolarHBondContact CA-O 3.44Å; I47-V110 HydrophobicContact CD1-CB 4.23Å; I47-V110 HydrophobicContact CD1-CG1 4.26Å; I47-V110 HydrophobicContact CD1-CG2 3.77Å
48	I	92.1	Very high	78.4	Confident	3 Å²	3	62.9 Å²	62.9	2%	0.015	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	121.1	166	-56.6	175.7	0	0	0	107.1	I24 V32 S33 F34 Y50 L94 C108 L109 V111 F160	I24-I48 HydrophobicContact CD1-CG2 4.45Å; V32-I48 HydrophobicContact CG1-CG2 3.7Å; S33-I48 CarbonylContact O-C 3.26Å; S33-I48 WeakPolarHBondContact O-CA 3.43Å; F34-I48 HydrophobicContact CD2-CG1 4.47Å; I48-Y50 HydrophobicContact CG2-CD2 4.13Å; I48-Y50 HydrophobicContact CG2-CE2 3.62Å; I48-L94 HydrophobicContact CD1-CD2 3.69Å; I48-C108 CarbonylContact O-C 3.59Å; I48-C108 WeakPolarHBondContact O-CA 3.41Å; I48-L109 HydrophobicContact CB-CB 4.32Å; I48-L109 PolarHBondContact N-O 2.82Å; I48-L109 PolarHBondContact O-N 2.94Å; I48-V111 HydrophobicContact CD1-CG1 3.99Å; I48-V111 HydrophobicContact CD1-CG2 4.26Å; I48-V111 HydrophobicContact CG1-CG1 4.3Å; I48-V111 HydrophobicContact CG1-CG2 4.16Å; I48-F160 HydrophobicContact CD1-CE1 3.89Å; I48-F160 HydrophobicContact CD1-CE2 3.93Å; I48-F160 HydrophobicContact CD1-CZ 3.43Å; I48-F160 VanDerWaalsContact CD1-CZ 3.43Å; I48-F160 HydrophobicContact CG1-CE1 4.21Å; I48-F160 HydrophobicContact CG1-CZ 3.88Å
49	K	90.8	Very high	75.9	Confident	39 Å²	39	67.6 Å²	67.6	17%	0.17	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	119.9	179.7	-177.1	170.2	179.4	171.8	0	109.6	S15 L18 V32 S33 L107	S15-K49 PolarHBondContact OG-NZ 3.32Å; L18-K49 HydrophobicContact CD1-CD 3.99Å; V32-K49 WeakPolarHBondContact CA-O 3.48Å; S33-K49 PolarHBondContact N-O 3.4Å; S33-K49 PolarHBondContact O-N 2.96Å; S33-K49 PolarHBondContact OG-O 3.18Å; K49-L107 CarbonylContact C-O 3.57Å; K49-L107 WeakPolarHBondContact CA-O 3.37Å
50	Y	89.2	Confident	73.4	Confident	8 Å²	8	73.3 Å²	73.3	3%	0.031	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	131	166.8	-66.3	-104.1	0	0	0	108.1	V32 I48 L82 S106 L107 L109 E173	V32-Y50 HydrophobicContact CB-CD1 4.46Å; V32-Y50 HydrophobicContact CG1-CD1 4.25Å; V32-Y50 HydrophobicContact CG1-CD2 4.5Å; V32-Y50 HydrophobicContact CG1-CE1 4.06Å; V32-Y50 HydrophobicContact CG1-CE2 4.3Å; V32-Y50 HydrophobicContact CG1-CG 4.46Å; V32-Y50 HydrophobicContact CG2-CD1 3.41Å; V32-Y50 VanDerWaalsContact CG2-CD1 3.41Å; V32-Y50 HydrophobicContact CG2-CE1 3.58Å; V32-Y50 HydrophobicContact CG2-CG 4.16Å; I48-Y50 HydrophobicContact CG2-CD2 4.13Å; I48-Y50 HydrophobicContact CG2-CE2 3.62Å; Y50-L82 HydrophobicContact CD1-CD1 3.97Å; Y50-L82 HydrophobicContact CE1-CD1 4.33Å; Y50-L82 HydrophobicContact CG-CD1 4.07Å; Y50-S106 CarbonylContact O-C 3.46Å; Y50-S106 VanDerWaalsContact O-CA 3.3Å; Y50-S106 WeakPolarHBondContact O-CA 3.44Å; Y50-L107 PolarHBondContact N-O 3.5Å; Y50-L107 PolarHBondContact O-N 3.49Å; Y50-L109 HydrophobicContact CD2-CD1 4.5Å; Y50-L109 HydrophobicContact CE2-CD1 3.76Å; Y50-L109 HydrophobicContact CE2-CG 4.21Å; Y50-E173 HydrophobicContact CE1-CB 4.4Å; Y50-E173 HydrophobicContact CE1-CG 4.36Å; Y50-E173 VanDerWaalsContact CE1-OE2 3.31Å; Y50-E173 WeakPolarHBondContact CE1-OE2 3.45Å; Y50-E173 PolarHBondContact OH-OE2 3.3Å
51	L	88.3	Confident	71.1	Confident	71 Å²	71	74.1 Å²	74.1	37%	0.372	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	123.7	175.4	178.7	66.9	0	0	0	108.4	Y30 E31 T53 D105	Y30-L51 CarbonylContact C-O 3.6Å; Y30-L51 VanDerWaalsContact CA-O 3.24Å; Y30-L51 WeakPolarHBondContact CA-O 3.35Å; E31-L51 PolarHBondContact N-O 3.18Å; E31-L51 PolarHBondContact O-N 3.41Å; L51-T53 PolarHBondContact O-N 3.18Å; L51-D105 WeakPolarHBondContact CA-O 3.37Å
52	K	84.9	Confident	68.9	Low	60 Å²	60	81.5 Å²	81.5	26%	0.261	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	129.6	176.4	-163.3	173.2	-172	168.8	0	109.5	N29 Y30 D77 D105	N29-K52 WeakPolarHBondContact O-CA 3.31Å; Y30-K52 HydrophobicContact CD1-CB 4.38Å; Y30-K52 HydrophobicContact CE1-CB 4.46Å; Y30-K52 HydrophobicContact CE1-CG 4.43Å; K52-D77 IonicContact NZ-OD1 3.79Å; K52-D77 PolarHBondContact NZ-OD1 3.25Å; K52-D105 HydrophobicContact CB-CB 4.05Å; K52-D105 PolarHBondContact N-O 2.87Å
53	T	81.4	Confident	67	Low	28 Å²	28	86.4 Å²	86.4	17%	0.172	45%	0.449	C	S	.	.			trans	-82.2	120.4	175.8	40.2	0	0	0	0	109.2	K26 N27 D28 N29 Y30 E31 L51 T55	K26-T53 HydrophobicContact CG-CG2 4.42Å; N27-T53 PolarHBondContact O-OG1 3.14Å; D28-T53 PolarHBondContact O-OG1 3.17Å; N29-T53 WeakPolarHBondContact CA-OG1 3.27Å; N29-T53 PolarHBondContact N-OG1 3.43Å; N29-T53 PolarHBondContact O-N 3.4Å; N29-T53 PolarHBondContact O-OG1 3.46Å; Y30-T53 PolarHBondContact N-OG1 3.5Å; E31-T53 HydrophobicContact CB-CG2 4.33Å; L51-T53 PolarHBondContact O-N 3.18Å; T53-T55 PolarHBondContact O-N 3.33Å
54	H	68	Low	64.8	Low	143 Å²	143	86.7 Å²	86.7	66%	0.662	45%	0.446	S	S	*	.			trans	-72.4	97.4	167.9	-59	-65.7	0	0	0	107.9	T56 D105	H54-T56 PolarHBondContact O-N 2.92Å; H54-D105 IonicContact CE1-OD2 2.71Å; H54-D105 PolarHBondContact CE1-OD2 3.46Å; H54-D105 IonicContact NE2-OD2 3.66Å
55	T	54.7	Low	63	Low	93 Å²	93	85.1 Å²	85.1	57%	0.571	45%	0.45	S	S	*	.			trans	-62.3	107.8	166.9	48.8	0	0	0	0	107.6	D28 T53 T57	D28-T55 WeakPolarHBondContact O-CG2 3.49Å; T53-T55 PolarHBondContact O-N 3.33Å; T55-T57 PolarHBondContact O-N 3.17Å
56	T	42.6	Very low	60.9	Low	113 Å²	113	87 Å²	87	69%	0.693	46%	0.462	S	S	*	.			trans	-58.8	107.9	158.3	37.5	0	0	0	0	105.5	H54 H58	H54-T56 PolarHBondContact O-N 2.92Å; T56-H58 PolarHBondContact O-N 3.45Å
57	T	39.8	Very low	58.7	Low	107 Å²	107	89.1 Å²	89.1	66%	0.656	48%	0.478	S	S	*	.			trans	-62.3	83	170.2	46.2	0	0	0	0	108	T55 K59	T55-T57 PolarHBondContact O-N 3.17Å; T57-K59 PolarHBondContact O-N 2.9Å; T57-K59 VanDerWaalsContact O-N 3.14Å
58	H	38.5	Very low	56.4	Low	147 Å²	147	92.7 Å²	92.7	68%	0.681	50%	0.502	S	S	*	.			trans	-61.6	116.7	161	-91.2	-86.2	0	0	0	105.6	T56 N60 K64	T56-H58 PolarHBondContact O-N 3.45Å; H58-N60 PolarHBondContact O-N 3.17Å; H58-K64 PolarHBondContact O-NZ 3.3Å
59	K	35.1	Very low	54.3	Low	184 Å²	184	99.7 Å²	99.7	80%	0.8	53%	0.533	S	S	*	.	S	Bend	trans	-77.9	7.8	-174.6	-92.4	-172.8	173.5	-177.8	0	113.6	T57	T57-K59 PolarHBondContact O-N 2.9Å; T57-K59 VanDerWaalsContact O-N 3.14Å
60	N	36.8	Very low	52	Low	139 Å²	139	98.9 Å²	98.9	74%	0.743	53%	0.529	S	S	*	.			trans	-120.5	9.3	-158.1	-79.9	15.6	0	0	0	118.1	H58	H58-N60 PolarHBondContact O-N 3.17Å
61	D	37.5	Very low	49.9	Very low	120 Å²	120	101 Å²	101	64%	0.642	55%	0.548	S	S	*	.			trans	-120.9	117.8	171.7	-74.3	-44.9	0	0	0	111.7	S63	D61-S63 PolarHBondContact O-N 3.36Å
62	D	38.8	Very low	47.9	Very low	174 Å²	174	104.6 Å²	104.6	93%	0.93	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	6.2	177.2	-73.9	-39	0	0	0	113.5	K64	D62-K64 PolarHBondContact O-N 3.28Å; D62-K64 VanDerWaalsContact O-N 3.16Å
63	S	43.9	Very low	46.2	Very low	103 Å²	103	104.5 Å²	104.5	72%	0.72	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	4.9	171.9	58.9	0	0	0	0	113.7	D61 S65	D61-S63 PolarHBondContact O-N 3.36Å; S63-S65 VanDerWaalsContact C-N 3.26Å; S63-S65 PolarHBondContact O-N 2.96Å
64	K	37.2	Very low	44.7	Very low	99 Å²	99	103.5 Å²	103.5	43%	0.43	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.7	11.6	-172.4	-93.7	-175.4	-174.7	168.5	0	118	H58 D62 D66 S68	H58-K64 PolarHBondContact O-NZ 3.3Å; D62-K64 PolarHBondContact O-N 3.28Å; D62-K64 VanDerWaalsContact O-N 3.16Å; K64-D66 PolarHBondContact O-N 3.43Å; K64-S68 PolarHBondContact O-OG 3.46Å
65	S	47.4	Very low	43.7	Very low	87 Å²	87	100.4 Å²	100.4	61%	0.608	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	-33.8	-169	78.7	0	0	0	0	114.9	S63 K69	S63-S65 VanDerWaalsContact C-N 3.26Å; S63-S65 PolarHBondContact O-N 2.96Å; S65-K69 WeakPolarHBondContact O-CB 3.25Å
66	D	46.8	Very low	43.4	Very low	81 Å²	81	96.5 Å²	96.5	43%	0.433	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-49.8	-173	-80.2	-40.2	0	0	0	113.9	K64 S68 K69 Y70	K64-D66 PolarHBondContact O-N 3.43Å; D66-S68 PolarHBondContact O-N 2.91Å; D66-K69 WeakPolarHBondContact O-CB 3.42Å; D66-K69 PolarHBondContact O-N 3.49Å; D66-K69 VanDerWaalsContact O-N 3.11Å; D66-Y70 HydrophobicContact CB-CE2 4.02Å; D66-Y70 WeakPolarHBondContact O-CD2 3.3Å; D66-Y70 WeakPolarHBondContact O-CE2 3.42Å; D66-Y70 PolarHBondContact O-N 3.03Å
67	V	45.6	Very low	43.7	Very low	73 Å²	73	96.4 Å²	96.4	44%	0.442	53%	0.534	S	S	.	.	H	α-helix	trans	-62.7	-44.2	-173.5	-174	0	0	0	0	112.2	K69 Y70 A71 V191	V67-K69 VanDerWaalsContact C-N 3.26Å; V67-K69 PolarHBondContact O-N 2.91Å; V67-Y70 PolarHBondContact O-N 3.31Å; V67-A71 PolarHBondContact O-N 2.9Å; V67-V191 HydrophobicContact CG2-CG1 4.06Å
68	S	46	Very low	44.5	Very low	74 Å²	74	96.3 Å²	96.3	52%	0.517	53%	0.529	S	S	.	.	H	α-helix	trans	-63.5	-32.9	178.2	-44.4	0	0	0	0	112.2	K64 D66 Y70	K64-S68 PolarHBondContact O-OG 3.46Å; D66-S68 PolarHBondContact O-N 2.91Å; S68-Y70 VanDerWaalsContact C-N 3.25Å; S68-Y70 PolarHBondContact O-N 3.04Å
69	K	46.2	Very low	45.3	Very low	151 Å²	151	90 Å²	90	66%	0.657	50%	0.501	S	S	*	.	H	α-helix	trans	-68	-27.2	-177.6	-163.8	178.4	-177.5	-175.2	0	112.2	S65 D66 V67	S65-K69 WeakPolarHBondContact O-CB 3.25Å; D66-K69 WeakPolarHBondContact O-CB 3.42Å; D66-K69 PolarHBondContact O-N 3.49Å; D66-K69 VanDerWaalsContact O-N 3.11Å; V67-K69 VanDerWaalsContact C-N 3.26Å; V67-K69 PolarHBondContact O-N 2.91Å
70	Y	42.5	Very low	46	Very low	21 Å²	21	87.3 Å²	87.3	8%	0.082	49%	0.494	C	S	.	.	H	α-helix	trans	-108	0.9	-175.4	-53.6	-60.4	0	0	0	114.2	D66 V67 S68 N72 L73 D184 K188	D66-Y70 HydrophobicContact CB-CE2 4.02Å; D66-Y70 WeakPolarHBondContact O-CD2 3.3Å; D66-Y70 WeakPolarHBondContact O-CE2 3.42Å; D66-Y70 PolarHBondContact O-N 3.03Å; V67-Y70 PolarHBondContact O-N 3.31Å; S68-Y70 VanDerWaalsContact C-N 3.25Å; S68-Y70 PolarHBondContact O-N 3.04Å; Y70-N72 PolarHBondContact O-N 3.35Å; Y70-L73 HydrophobicContact CD1-CD1 3.48Å; Y70-L73 VanDerWaalsContact CD1-CD1 3.48Å; Y70-L73 HydrophobicContact CE1-CD1 4.48Å; Y70-L73 HydrophobicContact CG-CD1 4.12Å; Y70-L73 PolarHBondContact O-N 2.72Å; Y70-D184 HydrophobicContact CD1-CB 4.3Å; Y70-D184 HydrophobicContact CE1-CB 4.18Å; Y70-D184 WeakPolarHBondContact CE1-OD1 3.4Å; Y70-K188 HydrophobicContact CG-CB 4.39Å; Y70-K188 VanDerWaalsContact O-CD 3.24Å; Y70-K188 WeakPolarHBondContact O-CD 3.31Å; Y70-K188 WeakPolarHBondContact O-CE 3.41Å; Y70-K188 PolarHBondContact O-NZ 2.7Å
71	A	46.1	Very low	47	Very low	52 Å²	52	82.8 Å²	82.8	43%	0.43	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.3	-39.6	-173.5	0	0	0	0	0	113.7	V67 K188	V67-A71 PolarHBondContact O-N 2.9Å; A71-K188 VanDerWaalsContact C-NZ 3.33Å; A71-K188 PolarHBondContact O-NZ 3.3Å
72	N	46.6	Very low	47.9	Very low	147 Å²	147	77.2 Å²	77.2	79%	0.786	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-7.6	-175.8	-60.3	-16.2	0	0	0	115.7	Y70	Y70-N72 PolarHBondContact O-N 3.35Å
73	L	48.1	Very low	48.9	Very low	59 Å²	59	71.3 Å²	71.3	31%	0.309	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-40.2	-170.5	-84.3	162.4	0	0	0	114.4	Y70 D184 H185 K188	Y70-L73 HydrophobicContact CD1-CD1 3.48Å; Y70-L73 VanDerWaalsContact CD1-CD1 3.48Å; Y70-L73 HydrophobicContact CE1-CD1 4.48Å; Y70-L73 HydrophobicContact CG-CD1 4.12Å; Y70-L73 PolarHBondContact O-N 2.72Å; L73-D184 HydrophobicContact CD1-CB 3.68Å; L73-H185 PolarHBondContact O-CD2 3.37Å; L73-H185 PolarHBondContact O-NE2 2.74Å; L73-H185 VanDerWaalsContact O-NE2 3.09Å; L73-K188 HydrophobicContact CB-CD 4.47Å
74	L	49.9	Very low	49.8	Very low	6 Å²	6	70.5 Å²	70.5	3%	0.031	40%	0.403	C	S	.	.	S	Bend	trans	-90.1	119.9	169.1	-62.2	167.1	0	0	0	105	C76 F174 L176 K188 I189 L192	L74-C76 HydrophobicContact CB-CB 4.4Å; L74-C76 WeakPolarHBondContact CB-SG 3.19Å; L74-C76 PolarHBondContact O-N 3.37Å; L74-F174 HydrophobicContact CD1-CD1 3.84Å; L74-F174 HydrophobicContact CD1-CE1 4.2Å; L74-L176 HydrophobicContact CD2-CD1 3.96Å; L74-K188 HydrophobicContact CD1-CD 3.79Å; L74-K188 HydrophobicContact CD1-CG 4.4Å; L74-K188 HydrophobicContact CG-CD 3.98Å; L74-I189 HydrophobicContact CD1-CG1 4.01Å; L74-I189 HydrophobicContact CD2-CD1 4.36Å; L74-I189 HydrophobicContact CD2-CG1 4.44Å; L74-L192 HydrophobicContact CD1-CD1 3.93Å
75	A	48.2	Very low	51.3	Low	78 Å²	78	66.1 Å²	66.1	65%	0.645	39%	0.385	S	S	*	.			trans	-66	34.1	174.8	0	0	0	0	0	113	D77 D78	A75-D77 PolarHBondContact O-N 2.85Å; A75-D78 PolarHBondContact O-N 3.46Å
76	C	47.5	Very low	52.4	Low	11 Å²	11	64.6 Å²	64.6	7%	0.074	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	3.4	177.6	-70.7	0	0	0	0	113.4	Y30 L74 D78	Y30-C76 HydrophobicContact CE2-CB 4.12Å; Y30-C76 WeakPolarHBondContact OH-CB 3.45Å; Y30-C76 PolarHBondContact OH-O 3.37Å; L74-C76 HydrophobicContact CB-CB 4.4Å; L74-C76 WeakPolarHBondContact CB-SG 3.19Å; L74-C76 PolarHBondContact O-N 3.37Å; C76-D78 VanDerWaalsContact C-N 3.33Å
77	D	49.9	Very low	53.9	Low	111 Å²	111	69.6 Å²	69.6	59%	0.594	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-29.7	171	-77.6	-37.1	0	0	0	112.1	K52 A75 L79	K52-D77 IonicContact NZ-OD1 3.79Å; K52-D77 PolarHBondContact NZ-OD1 3.25Å; A75-D77 PolarHBondContact O-N 2.85Å; D77-L79 PolarHBondContact O-N 3.23Å
78	D	55.6	Low	55.9	Low	105 Å²	105	67.2 Å²	67.2	56%	0.561	37%	0.374	S	S	*	.			trans	-95.7	99	176.1	-80.7	-20.9	0	0	0	111	A75 C76 L80 S81	A75-D78 PolarHBondContact O-N 3.46Å; C76-D78 VanDerWaalsContact C-N 3.33Å; D78-L80 HydrophobicContact CB-CB 4.4Å; D78-L80 PolarHBondContact O-N 3Å; D78-S81 WeakPolarHBondContact O-CB 3.29Å; D78-S81 PolarHBondContact O-N 3.28Å; D78-S81 PolarHBondContact O-OG 3.21Å
79	L	55.5	Low	57.9	Low	15 Å²	15	73.6 Å²	73.6	8%	0.079	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-50.2	-21	164.3	-72.2	171.9	0	0	0	112	Y30 D77 S81 L82 L107	Y30-L79 HydrophobicContact CD1-CD2 4.24Å; Y30-L79 HydrophobicContact CE1-CD2 3.53Å; Y30-L79 HydrophobicContact CE1-CG 4.49Å; D77-L79 PolarHBondContact O-N 3.23Å; L79-S81 VanDerWaalsContact C-N 3.28Å; L79-S81 PolarHBondContact O-N 3.39Å; L79-L82 HydrophobicContact CD2-CD1 3.51Å; L79-L82 WeakPolarHBondContact O-CB 3.32Å; L79-L82 WeakPolarHBondContact O-CG 3.44Å; L79-L82 PolarHBondContact O-N 2.56Å; L79-L82 VanDerWaalsContact O-N 3.12Å; L79-L107 HydrophobicContact CB-CB 4.2Å; L79-L107 HydrophobicContact CB-CD2 4.42Å; L79-L107 HydrophobicContact CD1-CB 4.14Å; L79-L107 HydrophobicContact CD2-CB 4.09Å; L79-L107 HydrophobicContact CG-CB 4.39Å; L79-L107 WeakPolarHBondContact O-CD2 3.42Å
80	L	50.4	Low	60.2	Low	127 Å²	127	68 Å²	68	67%	0.665	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-61	-32	173.1	-67.7	173.1	0	0	0	113.4	D78 L82 S83	D78-L80 HydrophobicContact CB-CB 4.4Å; D78-L80 PolarHBondContact O-N 3Å; L80-L82 PolarHBondContact O-N 2.84Å; L80-S83 VanDerWaalsContact O-CB 3.26Å; L80-S83 WeakPolarHBondContact O-CB 3.31Å; L80-S83 PolarHBondContact O-N 2.88Å; L80-S83 PolarHBondContact O-OG 3.02Å
81	S	57.2	Low	62.6	Low	45 Å²	45	71.2 Å²	71.2	32%	0.315	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-61.1	-28.8	175	64	0	0	0	0	111.8	D78 L79 S83 I84	D78-S81 WeakPolarHBondContact O-CB 3.29Å; D78-S81 PolarHBondContact O-N 3.28Å; D78-S81 PolarHBondContact O-OG 3.21Å; L79-S81 VanDerWaalsContact C-N 3.28Å; L79-S81 PolarHBondContact O-N 3.39Å; S81-S83 PolarHBondContact O-N 2.82Å; S81-I84 WeakPolarHBondContact O-CD1 3.22Å; S81-I84 WeakPolarHBondContact O-CG1 3.37Å; S81-I84 PolarHBondContact O-N 3.11Å
82	L	57.4	Low	64.9	Low	3 Å²	3	69 Å²	69	2%	0.016	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-68.3	-2.7	174.3	-49.3	-178.6	0	0	0	113.7	Y50 L79 L80 P85 L107 E173	Y50-L82 HydrophobicContact CD1-CD1 3.97Å; Y50-L82 HydrophobicContact CE1-CD1 4.33Å; Y50-L82 HydrophobicContact CG-CD1 4.07Å; L79-L82 HydrophobicContact CD2-CD1 3.51Å; L79-L82 WeakPolarHBondContact O-CB 3.32Å; L79-L82 WeakPolarHBondContact O-CG 3.44Å; L79-L82 PolarHBondContact O-N 2.56Å; L79-L82 VanDerWaalsContact O-N 3.12Å; L80-L82 PolarHBondContact O-N 2.84Å; L82-P85 WeakPolarHBondContact O-CD 3.39Å; L82-P85 WeakPolarHBondContact O-CG 3.42Å; L82-L107 HydrophobicContact CB-CD2 3.42Å; L82-L107 VanDerWaalsContact CB-CD2 3.42Å; L82-L107 HydrophobicContact CD1-CD2 3.63Å; L82-L107 HydrophobicContact CG-CD2 4.05Å; L82-E173 HydrophobicContact CD2-CB 3.25Å
83	S	58.5	Low	67.3	Low	50 Å²	50	62.2 Å²	62.2	35%	0.35	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-85.5	-7.8	173.9	71.5	0	0	0	0	113.9	L80 S81 P85 V86	L80-S83 VanDerWaalsContact O-CB 3.26Å; L80-S83 WeakPolarHBondContact O-CB 3.31Å; L80-S83 PolarHBondContact O-N 2.88Å; L80-S83 PolarHBondContact O-OG 3.02Å; S81-S83 PolarHBondContact O-N 2.82Å; S83-P85 VanDerWaalsContact C-CD 3.46Å; S83-P85 VanDerWaalsContact C-N 3.3Å; S83-V86 VanDerWaalsContact O-CB 3.28Å; S83-V86 WeakPolarHBondContact O-CB 3.24Å; S83-V86 VanDerWaalsContact O-CG2 3.3Å; S83-V86 WeakPolarHBondContact O-CG2 3.29Å; S83-V86 PolarHBondContact O-N 2.9Å
84	I	64.2	Low	69.5	Low	85 Å²	85	59.6 Å²	59.6	44%	0.436	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-42.9	-49.7	169.2	-68.2	163	0	0	0	112.6	S81 V86 K87	S81-I84 WeakPolarHBondContact O-CD1 3.22Å; S81-I84 WeakPolarHBondContact O-CG1 3.37Å; S81-I84 PolarHBondContact O-N 3.11Å; I84-V86 PolarHBondContact O-N 2.66Å; I84-V86 VanDerWaalsContact O-N 3.1Å; I84-K87 PolarHBondContact O-N 2.95Å; I84-K87 VanDerWaalsContact O-N 3.14Å
85	P	66.9	Low	71.5	Confident	7 Å²	7	65.3 Å²	65.3	5%	0.045	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-61.6	-18.3	-179.1	22.7	-36.6	0	0	0	115.3	L82 S83 K87 L88 V96 F172	L82-P85 WeakPolarHBondContact O-CD 3.39Å; L82-P85 WeakPolarHBondContact O-CG 3.42Å; S83-P85 VanDerWaalsContact C-CD 3.46Å; S83-P85 VanDerWaalsContact C-N 3.3Å; P85-K87 PolarHBondContact O-N 3.27Å; P85-L88 HydrophobicContact CB-CD1 4.43Å; P85-L88 PolarHBondContact O-N 3.18Å; P85-L88 VanDerWaalsContact O-N 3.17Å; P85-V96 HydrophobicContact CB-CG2 3.83Å; P85-V96 HydrophobicContact CG-CG2 4.18Å; P85-F172 HydrophobicContact CB-CD2 4.03Å; P85-F172 HydrophobicContact CB-CG 4.39Å; P85-F172 HydrophobicContact CG-CB 4.32Å; P85-F172 HydrophobicContact CG-CD2 4.47Å
86	V	71.9	Confident	73.5	Confident	55 Å²	55	62.1 Å²	62.1	33%	0.333	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-62	-27.9	176.2	-176.6	0	0	0	0	111.6	S83 I84 V96 A99	S83-V86 VanDerWaalsContact O-CB 3.28Å; S83-V86 WeakPolarHBondContact O-CB 3.24Å; S83-V86 VanDerWaalsContact O-CG2 3.3Å; S83-V86 WeakPolarHBondContact O-CG2 3.29Å; S83-V86 PolarHBondContact O-N 2.9Å; I84-V86 PolarHBondContact O-N 2.66Å; I84-V86 VanDerWaalsContact O-N 3.1Å; V86-V96 HydrophobicContact CG2-CB 4.31Å; V86-V96 HydrophobicContact CG2-CG1 3.75Å; V86-A99 HydrophobicContact CG2-CB 3.94Å
87	K	78.7	Confident	75.4	Confident	187 Å²	187	65.2 Å²	65.2	81%	0.813	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-90.8	-15.4	-179.8	-63.1	-179.4	-176.7	174.7	0	113.3	I84 P85	I84-K87 PolarHBondContact O-N 2.95Å; I84-K87 VanDerWaalsContact O-N 3.14Å; P85-K87 PolarHBondContact O-N 3.27Å
88	L	87.3	Confident	77	Confident	23 Å²	23	61.7 Å²	61.7	12%	0.12	30%	0.304	C	S	.	.			trans	-76.1	129.6	-176	-58.9	-178.5	0	0	0	110.2	P85 I93 F142 L143 L147 F172	P85-L88 HydrophobicContact CB-CD1 4.43Å; P85-L88 PolarHBondContact O-N 3.18Å; P85-L88 VanDerWaalsContact O-N 3.17Å; L88-I93 HydrophobicContact CB-CG2 4.32Å; L88-I93 HydrophobicContact CD1-CD1 4.42Å; L88-I93 HydrophobicContact CD1-CG2 4.38Å; L88-F142 HydrophobicContact CD2-CE1 4.31Å; L88-L143 HydrophobicContact CD1-CD2 4.4Å; L88-L147 HydrophobicContact CD2-CD1 3.56Å; L88-F172 HydrophobicContact CD1-CD1 4.12Å; L88-F172 HydrophobicContact CD1-CE1 3.64Å; L88-F172 HydrophobicContact CD1-CE2 4.38Å; L88-F172 HydrophobicContact CD1-CZ 3.8Å
89	R	88.2	Confident	78.4	Confident	207 Å²	207	58.2 Å²	58.2	78%	0.781	29%	0.29	S	S	*	.			trans	-128.2	100	174.4	-67.1	-162.8	-176.7	142.7	3.3	109.8
90	H	93.1	Very high	79.6	Confident	35 Å²	35	58.1 Å²	58.1	16%	0.162	29%	0.29	C	S	.	.			trans	-150.3	139.3	177	-175.7	-86.6	0	0	0	108.5	S92 I93 S138 F142	H90-S92 VanDerWaalsContact C-N 3.26Å; H90-S92 PolarHBondContact ND1-N 3.09Å; H90-S92 VanDerWaalsContact ND1-N 3.16Å; H90-S92 PolarHBondContact O-N 3.43Å; H90-I93 HydrophobicContact CB-CB 4.08Å; H90-I93 HydrophobicContact CB-CD1 3.82Å; H90-I93 HydrophobicContact CB-CG1 3.89Å; H90-I93 PolarHBondContact O-N 3.42Å; H90-I93 VanDerWaalsContact O-N 3.11Å; H90-S138 PolarHBondContact CE1-OG 3.27Å; H90-S138 PolarHBondContact NE2-O 2.9Å; H90-S138 PolarHBondContact NE2-OG 3.17Å; H90-F142 HydrophobicContact CB-CD1 4.18Å; H90-F142 HydrophobicContact CB-CE1 4.41Å; H90-F142 AromaticContact CD2-CG 3.83Å
91	P	92.7	Very high	81	Confident	87 Å²	87	54.9 Å²	54.9	57%	0.565	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-37.3	-175.2	21	-33.3	0	0	0	113.4	K168	P91-K168 PolarHBondContact O-NZ 3.35Å
92	S	95.8	Very high	81.7	Confident	6 Å²	6	56 Å²	56	4%	0.042	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	13.5	-179.4	-40.2	0	0	0	0	114.3	H90 S135 K168 L169	H90-S92 VanDerWaalsContact C-N 3.26Å; H90-S92 PolarHBondContact ND1-N 3.09Å; H90-S92 VanDerWaalsContact ND1-N 3.16Å; H90-S92 PolarHBondContact O-N 3.43Å; S92-S135 WeakPolarHBondContact CB-O 3.27Å; S92-S135 PolarHBondContact OG-O 2.96Å; S92-K168 WeakPolarHBondContact O-CA 3.45Å; S92-L169 PolarHBondContact O-N 3.21Å
93	I	95.6	Very high	82.5	Confident	4 Å²	4	58.2 Å²	58.2	2%	0.021	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-112.2	134.1	169.4	-64.7	179.2	0	0	0	107.5	L88 H90 R95 A139 F142 L143 F172	L88-I93 HydrophobicContact CB-CG2 4.32Å; L88-I93 HydrophobicContact CD1-CD1 4.42Å; L88-I93 HydrophobicContact CD1-CG2 4.38Å; H90-I93 HydrophobicContact CB-CB 4.08Å; H90-I93 HydrophobicContact CB-CD1 3.82Å; H90-I93 HydrophobicContact CB-CG1 3.89Å; H90-I93 PolarHBondContact O-N 3.42Å; H90-I93 VanDerWaalsContact O-N 3.11Å; I93-R95 PolarHBondContact O-N 2.72Å; I93-A139 HydrophobicContact CD1-CB 4.46Å; I93-A139 HydrophobicContact CG1-CB 3.83Å; I93-F142 HydrophobicContact CD1-CD1 3.82Å; I93-F142 HydrophobicContact CD1-CE1 4.25Å; I93-L143 HydrophobicContact CD1-CD2 4.09Å; I93-L143 HydrophobicContact CD1-CG 4.46Å; I93-F172 HydrophobicContact CD1-CZ 4.29Å; I93-F172 HydrophobicContact CG2-CE2 3.86Å; I93-F172 HydrophobicContact CG2-CZ 3.84Å
94	L	94.8	Very high	83.3	Confident	4 Å²	4	61.4 Å²	61.4	2%	0.021	32%	0.319	C	S	.	.			trans	-61	121.5	-178.8	-177.5	68.3	0	0	0	109.8	I48 V96 V111 E112 F160 K168 L169 C170	I48-L94 HydrophobicContact CD1-CD2 3.69Å; L94-V96 PolarHBondContact O-N 3.2Å; L94-V111 HydrophobicContact CD1-CB 4.44Å; L94-V111 HydrophobicContact CD2-CB 4.04Å; L94-V111 HydrophobicContact CD2-CG1 3.94Å; L94-V111 HydrophobicContact CD2-CG2 4.22Å; L94-V111 HydrophobicContact CG-CB 4.17Å; L94-V111 HydrophobicContact CG-CG1 4.34Å; L94-E112 HydrophobicContact CD1-CG 3.71Å; L94-F160 HydrophobicContact CD1-CB 4.04Å; L94-F160 HydrophobicContact CD1-CD1 4.45Å; L94-F160 HydrophobicContact CD1-CG 4.37Å; L94-F160 HydrophobicContact CD2-CB 4.28Å; L94-F160 HydrophobicContact CD2-CD1 4.02Å; L94-F160 HydrophobicContact CD2-CD2 4.1Å; L94-F160 HydrophobicContact CD2-CE1 4.39Å; L94-F160 HydrophobicContact CD2-CE2 4.49Å; L94-F160 HydrophobicContact CD2-CG 3.87Å; L94-K168 HydrophobicContact CB-CB 4.14Å; L94-K168 HydrophobicContact CD1-CB 4.45Å; L94-K168 HydrophobicContact CD1-CD 4.21Å; L94-L169 PolarHBondContact N-O 2.81Å; L94-C170 HydrophobicContact CB-CB 4.02Å; L94-C170 HydrophobicContact CD2-CB 3.79Å
95	R	92.4	Very high	84.2	Confident	127 Å²	127	60 Å²	60	48%	0.479	31%	0.312	S	S	.	.			trans	-73.4	113.4	-177.3	-172.5	177.5	-174.9	171.8	1.8	110.8	I93 V111 E112	I93-R95 PolarHBondContact O-N 2.72Å; R95-V111 WeakPolarHBondContact O-CA 3.41Å; R95-E112 HydrophobicContact CB-CB 4.23Å; R95-E112 HydrophobicContact CB-CG 4.06Å; R95-E112 WeakPolarHBondContact CB-OE1 3.49Å; R95-E112 PolarHBondContact N-OE1 2.93Å; R95-E112 PolarHBondContact O-N 3.19Å
96	V	89.5	Confident	85	Confident	11 Å²	11	59.7 Å²	59.7	7%	0.067	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	116.3	169.3	-173.2	0	0	0	0	109.1	P85 V86 L94 L109 V111	P85-V96 HydrophobicContact CB-CG2 3.83Å; P85-V96 HydrophobicContact CG-CG2 4.18Å; V86-V96 HydrophobicContact CG2-CB 4.31Å; V86-V96 HydrophobicContact CG2-CG1 3.75Å; L94-V96 PolarHBondContact O-N 3.2Å; V96-L109 HydrophobicContact CG1-CB 4.11Å; V96-L109 HydrophobicContact CG1-CD2 4.2Å; V96-L109 HydrophobicContact CG2-CD1 4.37Å; V96-V111 HydrophobicContact CG2-CG1 4.1Å
97	H	87.3	Confident	85.7	Confident	75 Å²	75	57.4 Å²	57.4	35%	0.347	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	-34.8	177.5	-74.3	-98	0	0	0	112.2	F45 V110	F45-H97 AromaticContact CD1-CD2 3.92Å; F45-H97 AromaticContact CE1-CD2 3.7Å; F45-H97 AromaticContact CE1-CE1 3.66Å; F45-H97 AromaticContact CE1-CG 3.79Å; F45-H97 AromaticContact CE1-ND1 3.76Å; F45-H97 AromaticContact CE1-NE2 3.63Å; H97-V110 HydrophobicContact CB-CG1 4.42Å; H97-V110 PolarHBondContact N-O 3.19Å
98	K	85.1	Confident	86.1	Confident	37 Å²	37	48.6 Å²	48.6	16%	0.161	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	144.1	-176.6	-175.5	173.4	-174.1	171.2	0	110.6	P8 S9 H11 Y42 L109 V110	P8-K98 PolarHBondContact O-NZ 3.06Å; S9-K98 VanDerWaalsContact C-NZ 3.31Å; S9-K98 PolarHBondContact O-NZ 2.98Å; H11-K98 PolarHBondContact O-NZ 3.26Å; Y42-K98 PolarHBondContact OH-NZ 3.4Å; K98-L109 CarbonylContact O-C 3.44Å; K98-L109 WeakPolarHBondContact O-CA 3.44Å; K98-V110 HydrophobicContact CB-CB 4.07Å; K98-V110 HydrophobicContact CB-CG2 4.05Å; K98-V110 PolarHBondContact N-O 3.44Å; K98-V110 PolarHBondContact O-N 3.28Å
99	A	84.6	Confident	86.2	Confident	32 Å²	32	47.8 Å²	47.8	26%	0.264	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	133.2	165.3	0	0	0	0	0	108.3	V86 L107 C108 L109	V86-A99 HydrophobicContact CG2-CB 3.94Å; A99-L107 HydrophobicContact CB-CD1 4.19Å; A99-C108 CarbonylContact C-O 3.54Å; A99-C108 WeakPolarHBondContact CA-O 3.26Å; A99-L109 HydrophobicContact CB-CD2 3.53Å
100	C	81	Confident	86.3	Confident	13 Å²	13	38 Å²	38	9%	0.088	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	144.3	177.1	59.3	0	0	0	0	111.5	L12 V13 C108	L12-C100 HydrophobicContact CD1-CB 3.83Å; V13-C100 VanDerWaalsContact CG2-SG 3.51Å; C100-C108 PolarHBondContact N-O 3.11Å; C100-C108 WeakPolarHBondContact O-CA 3.25Å; C100-C108 PolarHBondContact O-N 3.13Å
101	S	78.8	Confident	86.3	Confident	59 Å²	59	36.3 Å²	36.3	41%	0.413	21%	0.209	S	C	.	.			trans	-103.6	130.9	174.4	-67.4	0	0	0	0	109.9	S106	S101-S106 WeakPolarHBondContact CA-O 3.49Å; S101-S106 WeakPolarHBondContact CB-O 3.36Å; S101-S106 PolarHBondContact OG-O 3.16Å
102	D	71.9	Confident	86.3	Confident	70 Å²	70	34 Å²	34	37%	0.374	19%	0.191	S	C	.	.	S	Bend	trans	-94.1	-31.9	174.6	-166.2	22.7	0	0	0	110.7	S15	S15-D102 WeakPolarHBondContact CB-OD2 3.37Å; S15-D102 PolarHBondContact N-OD2 3.01Å; S15-D102 PolarHBondContact OG-OD2 2.75Å
103	A	75.1	Confident	86.1	Confident	48 Å²	48	37.4 Å²	37.4	40%	0.397	21%	0.208	S	C	.	.	S	Bend	trans	-136.1	156.9	175.4	0	0	0	0	0	109.8	D105 S106	A103-D105 PolarHBondContact O-N 3.31Å; A103-S106 WeakPolarHBondContact CB-OG 3.4Å; A103-S106 PolarHBondContact N-OG 3.41Å; A103-S106 PolarHBondContact O-N 3.28Å; A103-S106 VanDerWaalsContact O-O 3.08Å; A103-S106 PolarHBondContact O-OG 3.26Å
104	P	74.1	Confident	85.9	Confident	118 Å²	118	37.2 Å²	37.2	77%	0.766	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	-34.7	-177.9	20.8	-33.5	0	0	0	113.6	S106	P104-S106 VanDerWaalsContact C-N 3.32Å; P104-S106 PolarHBondContact O-N 3.2Å
105	D	82.9	Confident	85.8	Confident	54 Å²	54	37.5 Å²	37.5	29%	0.289	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	13.6	-179.8	-64.6	-51.9	0	0	0	113.5	L51 K52 H54 A103	L51-D105 WeakPolarHBondContact CA-O 3.37Å; K52-D105 HydrophobicContact CB-CB 4.05Å; K52-D105 PolarHBondContact N-O 2.87Å; H54-D105 IonicContact CE1-OD2 2.71Å; H54-D105 PolarHBondContact CE1-OD2 3.46Å; H54-D105 IonicContact NE2-OD2 3.66Å; A103-D105 PolarHBondContact O-N 3.31Å
106	S	84.6	Confident	85.9	Confident	2 Å²	2	31.5 Å²	31.5	1%	0.014	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	145.3	-176	73	0	0	0	0	113.2	Y50 S101 A103 P104	Y50-S106 CarbonylContact O-C 3.46Å; Y50-S106 VanDerWaalsContact O-CA 3.3Å; Y50-S106 WeakPolarHBondContact O-CA 3.44Å; S101-S106 WeakPolarHBondContact CA-O 3.49Å; S101-S106 WeakPolarHBondContact CB-O 3.36Å; S101-S106 PolarHBondContact OG-O 3.16Å; A103-S106 WeakPolarHBondContact CB-OG 3.4Å; A103-S106 PolarHBondContact N-OG 3.41Å; A103-S106 PolarHBondContact O-N 3.28Å; A103-S106 VanDerWaalsContact O-O 3.08Å; A103-S106 PolarHBondContact O-OG 3.26Å; P104-S106 VanDerWaalsContact C-N 3.32Å; P104-S106 PolarHBondContact O-N 3.2Å
107	L	85.5	Confident	86.2	Confident	7 Å²	7	31.1 Å²	31.1	4%	0.037	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	129.5	170.9	179.2	69.4	0	0	0	109.4	K49 Y50 L79 L82 A99 L109	K49-L107 CarbonylContact C-O 3.57Å; K49-L107 WeakPolarHBondContact CA-O 3.37Å; Y50-L107 PolarHBondContact N-O 3.5Å; Y50-L107 PolarHBondContact O-N 3.49Å; L79-L107 HydrophobicContact CB-CB 4.2Å; L79-L107 HydrophobicContact CB-CD2 4.42Å; L79-L107 HydrophobicContact CD1-CB 4.14Å; L79-L107 HydrophobicContact CD2-CB 4.09Å; L79-L107 HydrophobicContact CG-CB 4.39Å; L79-L107 WeakPolarHBondContact O-CD2 3.42Å; L82-L107 HydrophobicContact CB-CD2 3.42Å; L82-L107 VanDerWaalsContact CB-CD2 3.42Å; L82-L107 HydrophobicContact CD1-CD2 3.63Å; L82-L107 HydrophobicContact CG-CD2 4.05Å; A99-L107 HydrophobicContact CB-CD1 4.19Å; L107-L109 HydrophobicContact CD2-CD2 3.91Å; L107-L109 HydrophobicContact CG-CD2 4.06Å
108	C	87.7	Confident	86.2	Confident	1 Å²	1	29.7 Å²	29.7	1%	0.007	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	127.4	172.3	-65.7	0	0	0	0	109.5	V13 I47 I48 A99 C100	V13-C108 HydrophobicContact CB-CB 4.41Å; V13-C108 HydrophobicContact CG1-CB 4.38Å; I47-C108 HydrophobicContact CG2-CB 3.94Å; I48-C108 CarbonylContact O-C 3.59Å; I48-C108 WeakPolarHBondContact O-CA 3.41Å; A99-C108 CarbonylContact C-O 3.54Å; A99-C108 WeakPolarHBondContact CA-O 3.26Å; C100-C108 PolarHBondContact N-O 3.11Å; C100-C108 WeakPolarHBondContact O-CA 3.25Å; C100-C108 PolarHBondContact O-N 3.13Å
109	L	89.8	Confident	86.3	Confident	6 Å²	6	29.3 Å²	29.3	3%	0.031	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	120.7	170.8	-55.9	-174	0	0	0	108.9	I47 I48 Y50 V96 K98 A99 L107 V111	I47-L109 CarbonylContact C-O 3.6Å; I47-L109 WeakPolarHBondContact CA-O 3.44Å; I48-L109 HydrophobicContact CB-CB 4.32Å; I48-L109 PolarHBondContact N-O 2.82Å; I48-L109 PolarHBondContact O-N 2.94Å; Y50-L109 HydrophobicContact CD2-CD1 4.5Å; Y50-L109 HydrophobicContact CE2-CD1 3.76Å; Y50-L109 HydrophobicContact CE2-CG 4.21Å; V96-L109 HydrophobicContact CG1-CB 4.11Å; V96-L109 HydrophobicContact CG1-CD2 4.2Å; V96-L109 HydrophobicContact CG2-CD1 4.37Å; K98-L109 CarbonylContact O-C 3.44Å; K98-L109 WeakPolarHBondContact O-CA 3.44Å; A99-L109 HydrophobicContact CB-CD2 3.53Å; L107-L109 HydrophobicContact CD2-CD2 3.91Å; L107-L109 HydrophobicContact CG-CD2 4.06Å; L109-V111 HydrophobicContact CB-CG1 4.07Å; L109-V111 PolarHBondContact O-N 3.14Å
110	V	90.6	Very high	86.1	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.006	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	112.2	168.7	-174.8	0	0	0	0	107.4	V13 Y42 F45 I47 H97 K98	V13-V110 HydrophobicContact CG2-CG2 3.54Å; Y42-V110 HydrophobicContact CD1-CG1 3.73Å; Y42-V110 HydrophobicContact CD1-CG2 4.17Å; Y42-V110 HydrophobicContact CE1-CG1 4Å; Y42-V110 HydrophobicContact CE1-CG2 3.89Å; F45-V110 HydrophobicContact CB-CG1 3.68Å; F45-V110 HydrophobicContact CD1-CG1 4.24Å; F45-V110 HydrophobicContact CD2-CG1 4.37Å; F45-V110 HydrophobicContact CG-CG1 3.85Å; I47-V110 HydrophobicContact CD1-CB 4.23Å; I47-V110 HydrophobicContact CD1-CG1 4.26Å; I47-V110 HydrophobicContact CD1-CG2 3.77Å; H97-V110 HydrophobicContact CB-CG1 4.42Å; H97-V110 PolarHBondContact N-O 3.19Å; K98-V110 HydrophobicContact CB-CB 4.07Å; K98-V110 HydrophobicContact CB-CG2 4.05Å; K98-V110 PolarHBondContact N-O 3.44Å; K98-V110 PolarHBondContact O-N 3.28Å
111	V	92.3	Very high	86.2	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	161.3	-175.9	-57.9	0	0	0	0	111.4	F45 R46 I48 L94 R95 V96 L109	F45-V111 WeakPolarHBondContact CB-O 3.36Å; F45-V111 WeakPolarHBondContact CD1-O 3.47Å; R46-V111 HydrophobicContact CB-CG2 3.9Å; R46-V111 PolarHBondContact N-O 3.01Å; R46-V111 WeakPolarHBondContact O-CG2 3.39Å; R46-V111 PolarHBondContact O-N 3.38Å; I48-V111 HydrophobicContact CD1-CG1 3.99Å; I48-V111 HydrophobicContact CD1-CG2 4.26Å; I48-V111 HydrophobicContact CG1-CG1 4.3Å; I48-V111 HydrophobicContact CG1-CG2 4.16Å; L94-V111 HydrophobicContact CD1-CB 4.44Å; L94-V111 HydrophobicContact CD2-CB 4.04Å; L94-V111 HydrophobicContact CD2-CG1 3.94Å; L94-V111 HydrophobicContact CD2-CG2 4.22Å; L94-V111 HydrophobicContact CG-CB 4.17Å; L94-V111 HydrophobicContact CG-CG1 4.34Å; R95-V111 WeakPolarHBondContact O-CA 3.41Å; V96-V111 HydrophobicContact CG2-CG1 4.1Å; L109-V111 HydrophobicContact CB-CG1 4.07Å; L109-V111 PolarHBondContact O-N 3.14Å
112	E	92.2	Very high	86.3	Confident	39 Å²	39	31.6 Å²	31.6	18%	0.182	19%	0.189	C	C	.	.			trans	-55.1	164.9	171.2	65.6	-174.2	148.6	0	0	112.4	L94 R95 S114 K168	L94-E112 HydrophobicContact CD1-CG 3.71Å; R95-E112 HydrophobicContact CB-CB 4.23Å; R95-E112 HydrophobicContact CB-CG 4.06Å; R95-E112 WeakPolarHBondContact CB-OE1 3.49Å; R95-E112 PolarHBondContact N-OE1 2.93Å; R95-E112 PolarHBondContact O-N 3.19Å; E112-S114 VanDerWaalsContact C-N 3.27Å; E112-S114 PolarHBondContact O-N 3.35Å; E112-K168 VanDerWaalsContact OE1-CD 3.25Å; E112-K168 WeakPolarHBondContact OE1-CD 3.44Å; E112-K168 VanDerWaalsContact OE1-CE 3.23Å; E112-K168 WeakPolarHBondContact OE1-CE 3.21Å; E112-K168 IonicContact OE1-NZ 3.14Å; E112-K168 PolarHBondContact OE1-NZ 3.39Å; E112-K168 IonicContact OE2-NZ 3.91Å; E112-K168 PolarHBondContact OE2-NZ 2.84Å
113	N	91.7	Very high	86.8	Confident	77 Å²	77	34.7 Å²	34.7	41%	0.412	21%	0.206	S	C	.	.	S	Bend	trans	-72.7	81.4	-176.2	-171.7	39	0	0	0	111.8	R46	R46-N113 PolarHBondContact NE-OD1 3.33Å; R46-N113 PolarHBondContact NH1-OD1 3.34Å; R46-N113 PolarHBondContact NH2-OD1 2.98Å
114	S	92.8	Very high	87.4	Confident	1 Å²	1	32.9 Å²	32.9	1%	0.007	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	163.3	178.1	-57.7	0	0	0	0	109.9	F34 E112 I161 D162	F34-S114 WeakPolarHBondContact CE2-O 3.15Å; F34-S114 VanDerWaalsContact CZ-O 3.25Å; F34-S114 WeakPolarHBondContact CZ-O 3.29Å; E112-S114 VanDerWaalsContact C-N 3.27Å; E112-S114 PolarHBondContact O-N 3.35Å; S114-I161 CarbonylContact C-O 3.59Å; S114-I161 WeakPolarHBondContact CA-O 3.46Å; S114-I161 VanDerWaalsContact CB-O 3.3Å; S114-I161 WeakPolarHBondContact CB-O 3.39Å; S114-D162 WeakPolarHBondContact OG-CB 3.24Å
115	V	92.8	Very high	88.1	Confident	9 Å²	9	30.3 Å²	30.3	6%	0.055	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	158	177.6	-54.8	0	0	0	0	111.4	F34 F120 F160 I161 L672	F34-V115 HydrophobicContact CE1-CG1 4.41Å; F34-V115 HydrophobicContact CZ-CB 4.31Å; F34-V115 HydrophobicContact CZ-CG1 4.1Å; V115-F120 HydrophobicContact CB-CD2 3.75Å; V115-F120 HydrophobicContact CB-CE2 3.48Å; V115-F120 VanDerWaalsContact CB-CE2 3.48Å; V115-F120 HydrophobicContact CB-CZ 4.38Å; V115-F120 HydrophobicContact CG1-CD2 4.48Å; V115-F120 HydrophobicContact CG1-CE2 3.89Å; V115-F120 HydrophobicContact CG1-CZ 4.32Å; V115-F120 HydrophobicContact CG2-CD2 3.22Å; V115-F120 HydrophobicContact CG2-CE2 3.49Å; V115-F120 VanDerWaalsContact CG2-CE2 3.49Å; V115-F120 HydrophobicContact CG2-CG 3.99Å; V115-F120 HydrophobicContact CG2-CZ 4.4Å; V115-F160 CarbonylContact O-C 3.59Å; V115-F160 WeakPolarHBondContact O-CA 3.31Å; V115-F160 WeakPolarHBondContact O-CB 3.47Å; V115-F160 WeakPolarHBondContact O-CD1 3.35Å; V115-I161 PolarHBondContact N-O 2.95Å; V115-I161 PolarHBondContact O-N 3.39Å; V115-L672 HydrophobicContact CB-CD1 4.17Å; V115-L672 HydrophobicContact CG1-CD1 4.07Å; V115-L672 HydrophobicContact CG2-CD1 3.04Å; V115-L672 HydrophobicContact CG2-CG 4.47Å
116	P	94.5	Very high	88.4	Confident	1 Å²	1	31.1 Å²	31.1	1%	0.006	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	136.5	176.6	-19.8	31.8	0	0	0	111.6	F22 I24 F34 S118 A119 F160	F22-P116 HydrophobicContact CD1-CB 4.49Å; F22-P116 HydrophobicContact CD1-CG 4.13Å; F22-P116 HydrophobicContact CE1-CB 4.36Å; F22-P116 HydrophobicContact CE1-CG 4.49Å; I24-P116 HydrophobicContact CD1-CG 4.28Å; I24-P116 HydrophobicContact CG1-CG 4.28Å; F34-P116 HydrophobicContact CB-CG 3.75Å; F34-P116 HydrophobicContact CD1-CG 4.08Å; F34-P116 HydrophobicContact CD2-CG 4.15Å; F34-P116 HydrophobicContact CG-CG 3.74Å; P116-S118 VanDerWaalsContact C-N 3.33Å; P116-S118 PolarHBondContact O-N 3.07Å; P116-A119 HydrophobicContact CB-CB 4.21Å; P116-A119 PolarHBondContact O-N 3.43Å; P116-F160 HydrophobicContact CB-CE2 4.47Å; P116-F160 HydrophobicContact CB-CZ 4.28Å; P116-F160 HydrophobicContact CG-CE1 3.89Å; P116-F160 HydrophobicContact CG-CE2 4.49Å; P116-F160 HydrophobicContact CG-CZ 3.82Å
117	F	94.4	Very high	88.6	Confident	3 Å²	3	33.9 Å²	33.9	1%	0.013	19%	0.19	C	C	.	.	H	α-helix	trans	-54.2	-50.1	176.6	177	-85.4	0	0	0	111.3	A119 F120 V121 P124 T156 I159 I161 W167 L223	F117-A119 PolarHBondContact O-N 3.27Å; F117-A119 VanDerWaalsContact O-N 3.11Å; F117-F120 PolarHBondContact O-N 3.02Å; F117-F120 VanDerWaalsContact O-N 3.08Å; F117-V121 HydrophobicContact CD1-CB 4.2Å; F117-V121 HydrophobicContact CD2-CB 3.96Å; F117-V121 HydrophobicContact CD2-CG1 4.37Å; F117-V121 HydrophobicContact CD2-CG2 3.98Å; F117-V121 HydrophobicContact CE1-CB 3.89Å; F117-V121 HydrophobicContact CE1-CG1 4.09Å; F117-V121 HydrophobicContact CE2-CB 3.59Å; F117-V121 HydrophobicContact CE2-CG1 3.52Å; F117-V121 HydrophobicContact CE2-CG2 3.92Å; F117-V121 HydrophobicContact CG-CB 4.22Å; F117-V121 HydrophobicContact CG-CG2 4.44Å; F117-V121 HydrophobicContact CZ-CB 3.57Å; F117-V121 HydrophobicContact CZ-CG1 3.36Å; F117-V121 HydrophobicContact CZ-CG2 4.41Å; F117-V121 PolarHBondContact O-N 3.28Å; F117-P124 HydrophobicContact CZ-CG 4.42Å; F117-T156 HydrophobicContact CD1-CG2 4.29Å; F117-T156 HydrophobicContact CE1-CG2 4.17Å; F117-I159 HydrophobicContact CB-CB 3.7Å; F117-I159 HydrophobicContact CB-CG2 3.78Å; F117-I159 VanDerWaalsContact CB-O 3.27Å; F117-I159 WeakPolarHBondContact CB-O 3.29Å; F117-I159 HydrophobicContact CD2-CG2 3.96Å; F117-I159 HydrophobicContact CG-CB 4.23Å; F117-I159 HydrophobicContact CG-CG2 4.14Å; F117-I159 PolarHBondContact N-O 3.49Å; F117-I161 HydrophobicContact CD2-CD1 3.72Å; F117-I161 HydrophobicContact CD2-CG1 4.15Å; F117-I161 HydrophobicContact CE2-CD1 4.3Å; F117-W167 HydrophobicContact CD2-CD2 4.39Å; F117-W167 HydrophobicContact CD2-CH2 4.4Å; F117-W167 HydrophobicContact CD2-CZ2 4.2Å; F117-W167 HydrophobicContact CE2-CD2 4.3Å; F117-W167 AromaticContact CE2-CE2 3.72Å; F117-W167 HydrophobicContact CE2-CE3 4.48Å; F117-W167 AromaticContact CE2-CH2 3.54Å; F117-W167 HydrophobicContact CE2-CH2 3.54Å; F117-W167 AromaticContact CE2-CZ2 3.34Å; F117-W167 HydrophobicContact CE2-CZ2 3.34Å; F117-W167 HydrophobicContact CE2-CZ3 4.13Å; F117-W167 AromaticContact CZ-CH2 3.95Å; F117-W167 HydrophobicContact CZ-CH2 3.95Å; F117-W167 HydrophobicContact CZ-CZ2 4.09Å; F117-L223 HydrophobicContact CE1-CD1 4.19Å; F117-L223 HydrophobicContact CE1-CD2 4.03Å; F117-L223 HydrophobicContact CZ-CD1 3.95Å; F117-L223 HydrophobicContact CZ-CD2 4.25Å
118	S	88.7	Confident	88.8	Confident	46 Å²	46	34.1 Å²	34.1	32%	0.322	19%	0.191	S	C	.	.	H	α-helix	trans	-63.2	-18.5	-177.5	54.7	0	0	0	0	114.8	P116	P116-S118 VanDerWaalsContact C-N 3.33Å; P116-S118 PolarHBondContact O-N 3.07Å
119	A	86.4	Confident	89	Confident	28 Å²	28	34 Å²	34	23%	0.231	19%	0.191	C	C	.	.	H	α-helix	trans	-80.5	-22.7	177.7	0	0	0	0	0	112.8	F22 P116 F117	F22-A119 HydrophobicContact CD1-CB 4.12Å; F22-A119 HydrophobicContact CD2-CB 4.13Å; F22-A119 HydrophobicContact CE1-CB 3.76Å; F22-A119 HydrophobicContact CE2-CB 3.76Å; F22-A119 HydrophobicContact CG-CB 4.3Å; F22-A119 HydrophobicContact CZ-CB 3.56Å; P116-A119 HydrophobicContact CB-CB 4.21Å; P116-A119 PolarHBondContact O-N 3.43Å; F117-A119 PolarHBondContact O-N 3.27Å; F117-A119 VanDerWaalsContact O-N 3.11Å
120	F	80.2	Confident	89.1	Confident	64 Å²	64	34 Å²	34	28%	0.281	19%	0.19	S	C	.	.	H	α-helix	trans	-130.3	-15.3	-171.2	-64	-89.3	0	0	0	113.5	V115 F117 L672 Y674	V115-F120 HydrophobicContact CB-CD2 3.75Å; V115-F120 HydrophobicContact CB-CE2 3.48Å; V115-F120 VanDerWaalsContact CB-CE2 3.48Å; V115-F120 HydrophobicContact CB-CZ 4.38Å; V115-F120 HydrophobicContact CG1-CD2 4.48Å; V115-F120 HydrophobicContact CG1-CE2 3.89Å; V115-F120 HydrophobicContact CG1-CZ 4.32Å; V115-F120 HydrophobicContact CG2-CD2 3.22Å; V115-F120 HydrophobicContact CG2-CE2 3.49Å; V115-F120 VanDerWaalsContact CG2-CE2 3.49Å; V115-F120 HydrophobicContact CG2-CG 3.99Å; V115-F120 HydrophobicContact CG2-CZ 4.4Å; F117-F120 PolarHBondContact O-N 3.02Å; F117-F120 VanDerWaalsContact O-N 3.08Å; F120-L672 HydrophobicContact CB-CB 4.3Å; F120-L672 HydrophobicContact CB-CD1 4.35Å; F120-L672 HydrophobicContact CD1-CB 4.27Å; F120-L672 HydrophobicContact CD1-CD1 4.11Å; F120-L672 HydrophobicContact CD2-CD1 4.18Å; F120-L672 HydrophobicContact CE1-CD1 4.5Å; F120-L672 HydrophobicContact CG-CB 4.41Å; F120-L672 HydrophobicContact CG-CD1 3.93Å; F120-Y674 WeakPolarHBondContact O-CB 3.36Å; F120-Y674 WeakPolarHBondContact O-CD2 3.35Å
121	V	84.1	Confident	89.3	Confident	6 Å²	6	34.7 Å²	34.7	4%	0.036	20%	0.196	C	C	.	.			trans	-123.7	113	-174.9	-169.6	0	0	0	0	110	F117 P124 I161 Y674	F117-V121 HydrophobicContact CD1-CB 4.2Å; F117-V121 HydrophobicContact CD2-CB 3.96Å; F117-V121 HydrophobicContact CD2-CG1 4.37Å; F117-V121 HydrophobicContact CD2-CG2 3.98Å; F117-V121 HydrophobicContact CE1-CB 3.89Å; F117-V121 HydrophobicContact CE1-CG1 4.09Å; F117-V121 HydrophobicContact CE2-CB 3.59Å; F117-V121 HydrophobicContact CE2-CG1 3.52Å; F117-V121 HydrophobicContact CE2-CG2 3.92Å; F117-V121 HydrophobicContact CG-CB 4.22Å; F117-V121 HydrophobicContact CG-CG2 4.44Å; F117-V121 HydrophobicContact CZ-CB 3.57Å; F117-V121 HydrophobicContact CZ-CG1 3.36Å; F117-V121 HydrophobicContact CZ-CG2 4.41Å; F117-V121 PolarHBondContact O-N 3.28Å; V121-P124 HydrophobicContact CG1-CB 3.91Å; V121-P124 HydrophobicContact CG1-CG 4.29Å; V121-I161 HydrophobicContact CB-CD1 4.49Å; V121-I161 HydrophobicContact CG2-CD1 3.22Å; V121-Y674 HydrophobicContact CB-CD2 4.35Å; V121-Y674 HydrophobicContact CB-CE1 4.48Å; V121-Y674 HydrophobicContact CB-CE2 4.1Å; V121-Y674 HydrophobicContact CG1-CD1 4.23Å; V121-Y674 HydrophobicContact CG1-CE1 3.71Å; V121-Y674 HydrophobicContact CG1-CE2 4.07Å; V121-Y674 HydrophobicContact CG2-CD2 3.62Å; V121-Y674 HydrophobicContact CG2-CE1 4.39Å; V121-Y674 HydrophobicContact CG2-CE2 3.21Å; V121-Y674 HydrophobicContact CG2-CG 4.36Å
122	T	79.3	Confident	89.4	Confident	83 Å²	83	34.7 Å²	34.7	51%	0.509	20%	0.196	S	C	.	.	S	Bend	trans	-101.4	-53	172.6	48.6	0	0	0	0	110.2
123	N	82.7	Confident	89.6	Confident	134 Å²	134	32.9 Å²	32.9	72%	0.717	19%	0.188	S	C	*	.	S	Bend	trans	-124.4	87.3	-177.1	-62.6	-22.1	0	0	0	110.4
124	P	89.1	Confident	89.8	Confident	11 Å²	11	31.9 Å²	31.9	7%	0.071	18%	0.179	C	C	.	.			trans	-66.4	145.7	176.1	28.8	-33.7	0	0	0	111.2	F117 V121 D128 L129 W167 L223	F117-P124 HydrophobicContact CZ-CG 4.42Å; V121-P124 HydrophobicContact CG1-CB 3.91Å; V121-P124 HydrophobicContact CG1-CG 4.29Å; P124-D128 HydrophobicContact CB-CB 4.34Å; P124-L129 HydrophobicContact CB-CD2 4.15Å; P124-L129 HydrophobicContact CB-CG 3.99Å; P124-L129 HydrophobicContact CG-CD1 4.27Å; P124-L129 HydrophobicContact CG-CD2 3.47Å; P124-L129 VanDerWaalsContact CG-CD2 3.47Å; P124-L129 HydrophobicContact CG-CG 3.67Å; P124-W167 HydrophobicContact CB-CZ2 4.33Å; P124-L223 HydrophobicContact CG-CB 4.28Å
125	T	88	Confident	90	Very high	63 Å²	63	32.1 Å²	32.1	39%	0.387	18%	0.18	S	C	.	.			trans	-68.6	160.9	172.8	70.5	0	0	0	0	110.7	D127 D128 L129	T125-D127 PolarHBondContact O-N 3.43Å; T125-D128 PolarHBondContact O-N 3.28Å; T125-D128 PolarHBondContact OG1-N 2.86Å; T125-D128 PolarHBondContact OG1-OD2 3.43Å; T125-L129 PolarHBondContact O-N 2.88Å
126	M	88.1	Confident	90.3	Very high	71 Å²	71	31.7 Å²	31.7	35%	0.35	18%	0.177	S	C	.	.	H	α-helix	trans	-58.9	-34.4	177.2	-66	-62.1	145.7	0	0	112.7	L129 L130 F232	M126-L129 HydrophobicContact CE-CD1 4.19Å; M126-L129 HydrophobicContact SD-CD1 4Å; M126-L130 WeakPolarHBondContact O-CB 3.21Å; M126-L130 PolarHBondContact O-N 3.35Å; M126-F232 HydrophobicContact SD-CB 4.18Å; M126-F232 HydrophobicContact SD-CD1 3.79Å; M126-F232 HydrophobicContact SD-CE1 4.5Å; M126-F232 HydrophobicContact SD-CG 4.14Å
127	D	89.3	Confident	90.5	Very high	61 Å²	61	31.6 Å²	31.6	33%	0.326	18%	0.177	S	C	.	.	H	α-helix	trans	-69.2	-40.9	174.6	-67.8	-53.3	0	0	0	112	T125 L130 A131 Y267 L304	T125-D127 PolarHBondContact O-N 3.43Å; D127-L130 PolarHBondContact O-N 3.37Å; D127-A131 WeakPolarHBondContact O-CB 3.45Å; D127-A131 PolarHBondContact O-N 2.63Å; D127-Y267 HydrophobicContact CB-CD1 4.35Å; D127-Y267 HydrophobicContact CB-CE1 4.01Å; D127-L304 HydrophobicContact CB-CD1 3.78Å; D127-L304 HydrophobicContact CB-CD2 3.96Å
128	D	90.7	Very high	90.6	Very high	11 Å²	11	32.7 Å²	32.7	6%	0.059	19%	0.185	C	C	.	.	H	α-helix	trans	-68.3	-37.8	176.9	-58.8	-42.6	0	0	0	110.9	P124 T125 G132 R307	P124-D128 HydrophobicContact CB-CB 4.34Å; T125-D128 PolarHBondContact O-N 3.28Å; T125-D128 PolarHBondContact OG1-N 2.86Å; T125-D128 PolarHBondContact OG1-OD2 3.43Å; D128-G132 WeakPolarHBondContact O-CA 3.38Å; D128-G132 PolarHBondContact O-N 3.5Å; D128-R307 IonicContact OD1-CZ 3.74Å; D128-R307 IonicContact OD1-NH2 2.82Å; D128-R307 PolarHBondContact OD1-NH2 3.2Å; D128-R307 IonicContact OD2-NH2 2.72Å; D128-R307 PolarHBondContact OD2-NH2 3.25Å
129	L	91.7	Very high	91	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.4	-43.4	171.8	-79.6	174.2	0	0	0	111.8	P124 T125 M126 S133 W167 L223 F232	P124-L129 HydrophobicContact CB-CD2 4.15Å; P124-L129 HydrophobicContact CB-CG 3.99Å; P124-L129 HydrophobicContact CG-CD1 4.27Å; P124-L129 HydrophobicContact CG-CD2 3.47Å; P124-L129 VanDerWaalsContact CG-CD2 3.47Å; P124-L129 HydrophobicContact CG-CG 3.67Å; T125-L129 PolarHBondContact O-N 2.88Å; M126-L129 HydrophobicContact CE-CD1 4.19Å; M126-L129 HydrophobicContact SD-CD1 4Å; L129-S133 WeakPolarHBondContact O-CB 3.36Å; L129-S133 PolarHBondContact O-N 3.04Å; L129-S133 PolarHBondContact O-OG 3.43Å; L129-W167 HydrophobicContact CD2-CH2 4.03Å; L129-L223 HydrophobicContact CD2-CB 3.76Å; L129-L223 HydrophobicContact CD2-CD1 4.31Å; L129-F232 HydrophobicContact CB-CD2 4.15Å; L129-F232 HydrophobicContact CB-CE2 3.72Å; L129-F232 HydrophobicContact CB-CZ 4Å; L129-F232 HydrophobicContact CD1-CE1 4.14Å; L129-F232 HydrophobicContact CD1-CZ 4.1Å; L129-F232 HydrophobicContact CG-CZ 4.49Å
130	L	92.5	Very high	91.6	Very high	5 Å²	5	29.2 Å²	29.2	3%	0.026	16%	0.159	C	C	.	.	H	α-helix	trans	-66.3	-46.9	179.2	-173.9	66.3	0	0	0	111.4	M126 D127 S133 Y134 F232 L235 F263 I268	M126-L130 WeakPolarHBondContact O-CB 3.21Å; M126-L130 PolarHBondContact O-N 3.35Å; D127-L130 PolarHBondContact O-N 3.37Å; L130-S133 PolarHBondContact O-N 2.96Å; L130-Y134 PolarHBondContact O-N 3.18Å; L130-F232 HydrophobicContact CB-CD2 4.41Å; L130-F232 HydrophobicContact CD1-CD2 4.44Å; L130-L235 HydrophobicContact CD1-CD2 4.24Å; L130-F263 HydrophobicContact CD1-CD1 3.79Å; L130-F263 HydrophobicContact CD1-CE1 3.66Å; L130-F263 HydrophobicContact CG-CD1 4.34Å; L130-F263 HydrophobicContact CG-CE1 4.38Å; L130-F263 WeakPolarHBondContact O-CE1 3.4Å; L130-I268 HydrophobicContact CD2-CD1 4.29Å; L130-I268 HydrophobicContact CD2-CG1 3.83Å; L130-I268 HydrophobicContact CG-CD1 4.04Å; L130-I268 HydrophobicContact CG-CG1 3.93Å
131	A	93.5	Very high	92.5	Very high	15 Å²	15	28.3 Å²	28.3	12%	0.124	16%	0.157	C	C	.	.	H	α-helix	trans	-67	-38.1	177.1	0	0	0	0	0	112.7	D127 Y134 S135 Y267 I268 L271	D127-A131 WeakPolarHBondContact O-CB 3.45Å; D127-A131 PolarHBondContact O-N 2.63Å; A131-Y134 PolarHBondContact O-N 3.37Å; A131-S135 WeakPolarHBondContact O-CB 3.33Å; A131-S135 PolarHBondContact O-N 2.97Å; A131-S135 PolarHBondContact O-OG 3.19Å; A131-Y267 HydrophobicContact CB-CE1 3.92Å; A131-I268 HydrophobicContact CB-CD1 3.88Å; A131-L271 HydrophobicContact CB-CD1 4.38Å
132	G	95.2	Very high	93.1	Very high	1 Å²	1	30 Å²	30	1%	0.01	16%	0.164	C	C	.	.	H	α-helix	trans	-62.9	-46.3	173.4	0	0	0	0	0	112.2	D128 Y134 S135 L136	D128-G132 WeakPolarHBondContact O-CA 3.38Å; D128-G132 PolarHBondContact O-N 3.5Å; G132-Y134 PolarHBondContact O-N 2.95Å; G132-S135 PolarHBondContact O-N 3Å; G132-L136 WeakPolarHBondContact O-CG 3.46Å; G132-L136 PolarHBondContact O-N 2.9Å
133	S	95.7	Very high	93.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-59.4	-45.3	175.5	-64	0	0	0	0	111.8	L129 L130 S135 L136 L137 I220	L129-S133 WeakPolarHBondContact O-CB 3.36Å; L129-S133 PolarHBondContact O-N 3.04Å; L129-S133 PolarHBondContact O-OG 3.43Å; L130-S133 PolarHBondContact O-N 2.96Å; S133-S135 PolarHBondContact O-N 3.28Å; S133-L136 PolarHBondContact O-N 2.94Å; S133-L137 VanDerWaalsContact O-CB 3.32Å; S133-L137 WeakPolarHBondContact O-CB 3.4Å; S133-L137 WeakPolarHBondContact O-CG 3.38Å; S133-L137 PolarHBondContact O-N 3.34Å; S133-I220 WeakPolarHBondContact OG-CD1 3.28Å
134	Y	96.3	Very high	94.6	Very high	57 Å²	57	20.2 Å²	20.2	22%	0.224	11%	0.108	C	C	.	.	H	α-helix	trans	-59.2	-46.8	175.6	-177	-100.2	0	0	0	111.6	L130 A131 G132 L136 L137 S138 L258 F263 I268 D272	L130-Y134 PolarHBondContact O-N 3.18Å; A131-Y134 PolarHBondContact O-N 3.37Å; G132-Y134 PolarHBondContact O-N 2.95Å; Y134-L136 PolarHBondContact O-N 3.14Å; Y134-L137 PolarHBondContact O-N 3.49Å; Y134-S138 WeakPolarHBondContact O-CB 3.46Å; Y134-S138 PolarHBondContact O-N 3.42Å; Y134-L258 HydrophobicContact CD2-CD2 3.71Å; Y134-L258 HydrophobicContact CE2-CD2 3.8Å; Y134-L258 HydrophobicContact CG-CD2 4.45Å; Y134-F263 HydrophobicContact CD2-CB 3.97Å; Y134-F263 AromaticContact CD2-CD1 3.8Å; Y134-F263 HydrophobicContact CD2-CD1 3.8Å; Y134-F263 HydrophobicContact CD2-CD2 4.45Å; Y134-F263 HydrophobicContact CD2-CE1 4.41Å; Y134-F263 AromaticContact CD2-CG 3.82Å; Y134-F263 HydrophobicContact CD2-CG 3.82Å; Y134-F263 HydrophobicContact CE2-CB 4.37Å; Y134-F263 HydrophobicContact CG-CD1 4.26Å; Y134-I268 HydrophobicContact CD1-CG2 4.25Å; Y134-I268 HydrophobicContact CD2-CG2 3.87Å; Y134-I268 HydrophobicContact CE2-CG2 4.14Å; Y134-I268 HydrophobicContact CG-CG2 3.92Å; Y134-D272 PolarHBondContact OH-OD1 3.49Å
135	S	96.9	Very high	94.9	Very high	5 Å²	5	24 Å²	24	4%	0.035	13%	0.128	C	C	.	.	H	α-helix	trans	-61.1	-47.2	179.8	-62.3	0	0	0	0	112	S92 A131 G132 S133 S138 A139 W167	S92-S135 WeakPolarHBondContact CB-O 3.27Å; S92-S135 PolarHBondContact OG-O 2.96Å; A131-S135 WeakPolarHBondContact O-CB 3.33Å; A131-S135 PolarHBondContact O-N 2.97Å; A131-S135 PolarHBondContact O-OG 3.19Å; G132-S135 PolarHBondContact O-N 3Å; S133-S135 PolarHBondContact O-N 3.28Å; S135-S138 WeakPolarHBondContact O-CB 3.19Å; S135-S138 PolarHBondContact O-N 3.4Å; S135-A139 PolarHBondContact O-N 2.95Å; S135-W167 WeakPolarHBondContact CB-O 3.25Å
136	L	98.4	Very high	95.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-69.1	-39.9	179.9	-67.9	-178.9	0	0	0	112.5	G132 S133 Y134 S138 A139 L140 M154 I159 W167 L169 F216 M219	G132-L136 WeakPolarHBondContact O-CG 3.46Å; G132-L136 PolarHBondContact O-N 2.9Å; S133-L136 PolarHBondContact O-N 2.94Å; Y134-L136 PolarHBondContact O-N 3.14Å; L136-S138 VanDerWaalsContact C-N 3.3Å; L136-S138 PolarHBondContact O-N 3.29Å; L136-A139 WeakPolarHBondContact O-CB 3.22Å; L136-A139 PolarHBondContact O-N 3.37Å; L136-L140 WeakPolarHBondContact O-CG 3.46Å; L136-L140 PolarHBondContact O-N 2.89Å; L136-M154 HydrophobicContact CB-CE 4.4Å; L136-M154 HydrophobicContact CD1-CE 4.25Å; L136-I159 HydrophobicContact CD1-CD1 3.75Å; L136-I159 HydrophobicContact CD1-CG1 4.23Å; L136-I159 HydrophobicContact CD2-CG1 4.33Å; L136-W167 HydrophobicContact CD1-CE3 3.74Å; L136-W167 HydrophobicContact CD1-CZ3 4.17Å; L136-W167 HydrophobicContact CG-CB 4.49Å; L136-W167 HydrophobicContact CG-CE3 4.24Å; L136-L169 HydrophobicContact CD2-CB 4.2Å; L136-L169 HydrophobicContact CD2-CD1 4.44Å; L136-F216 HydrophobicContact CB-CD2 4.18Å; L136-F216 HydrophobicContact CB-CE2 3.85Å; L136-F216 HydrophobicContact CD1-CD2 4.38Å; L136-F216 HydrophobicContact CD1-CE2 4.24Å; L136-M219 HydrophobicContact CD1-CE 3.56Å
137	L	98.5	Very high	95.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-64.5	-36	173.2	-75.4	169.9	0	0	0	111.8	S133 Y134 L140 N141 F216 L257 L258 F263	S133-L137 VanDerWaalsContact O-CB 3.32Å; S133-L137 WeakPolarHBondContact O-CB 3.4Å; S133-L137 WeakPolarHBondContact O-CG 3.38Å; S133-L137 PolarHBondContact O-N 3.34Å; Y134-L137 PolarHBondContact O-N 3.49Å; L137-L140 PolarHBondContact O-N 3.15Å; L137-N141 WeakPolarHBondContact O-CB 3.3Å; L137-N141 PolarHBondContact O-N 2.91Å; L137-F216 HydrophobicContact CD1-CE1 4.04Å; L137-F216 HydrophobicContact CD1-CZ 3.87Å; L137-F216 HydrophobicContact CD2-CD1 4.04Å; L137-F216 HydrophobicContact CD2-CE1 3.67Å; L137-F216 HydrophobicContact CD2-CE2 4.49Å; L137-F216 HydrophobicContact CD2-CZ 3.92Å; L137-F216 HydrophobicContact CG-CE1 3.8Å; L137-F216 HydrophobicContact CG-CE2 4.11Å; L137-F216 HydrophobicContact CG-CZ 3.54Å; L137-L257 HydrophobicContact CD1-CB 3.88Å; L137-L257 HydrophobicContact CD2-CB 4.02Å; L137-L257 HydrophobicContact CD2-CD1 3.74Å; L137-L258 HydrophobicContact CB-CD2 3.66Å; L137-L258 HydrophobicContact CB-CG 3.9Å; L137-F263 HydrophobicContact CD1-CE2 3.67Å; L137-F263 HydrophobicContact CD1-CZ 3.65Å
138	S	97.5	Very high	95.6	Very high	26 Å²	26	23.9 Å²	23.9	18%	0.182	14%	0.136	C	C	.	.	H	α-helix	trans	-62.7	-42.7	172.6	-171.5	0	0	0	0	111.5	H90 Y134 S135 L136 N141 F142	H90-S138 PolarHBondContact CE1-OG 3.27Å; H90-S138 PolarHBondContact NE2-O 2.9Å; H90-S138 PolarHBondContact NE2-OG 3.17Å; Y134-S138 WeakPolarHBondContact O-CB 3.46Å; Y134-S138 PolarHBondContact O-N 3.42Å; S135-S138 WeakPolarHBondContact O-CB 3.19Å; S135-S138 PolarHBondContact O-N 3.4Å; L136-S138 VanDerWaalsContact C-N 3.3Å; L136-S138 PolarHBondContact O-N 3.29Å; S138-N141 PolarHBondContact O-N 3.45Å; S138-F142 PolarHBondContact O-N 3.21Å; S138-F142 VanDerWaalsContact O-N 3.08Å
139	A	97.9	Very high	95.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-63.1	-47.7	174.8	0	0	0	0	0	111.7	I93 S135 L136 N141 F142 L143 L169	I93-A139 HydrophobicContact CD1-CB 4.46Å; I93-A139 HydrophobicContact CG1-CB 3.83Å; S135-A139 PolarHBondContact O-N 2.95Å; L136-A139 WeakPolarHBondContact O-CB 3.22Å; L136-A139 PolarHBondContact O-N 3.37Å; A139-N141 VanDerWaalsContact C-N 3.35Å; A139-N141 PolarHBondContact O-N 3.28Å; A139-F142 WeakPolarHBondContact O-CB 3.37Å; A139-F142 PolarHBondContact O-N 3.28Å; A139-L143 WeakPolarHBondContact O-CG 3.42Å; A139-L143 PolarHBondContact O-N 2.9Å; A139-L169 HydrophobicContact CB-CB 4.12Å; A139-L169 HydrophobicContact CB-CD2 4.07Å
140	L	98.5	Very high	95.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.5	-41.8	177	-73.2	-178.8	0	0	0	111.9	L136 L137 F142 L143 H144 H151 M154 L169 D212 I213 F216	L136-L140 WeakPolarHBondContact O-CG 3.46Å; L136-L140 PolarHBondContact O-N 2.89Å; L137-L140 PolarHBondContact O-N 3.15Å; L140-F142 VanDerWaalsContact C-N 3.31Å; L140-F142 PolarHBondContact O-N 3.39Å; L140-L143 PolarHBondContact O-N 3.33Å; L140-L143 VanDerWaalsContact O-N 3.15Å; L140-H144 VanDerWaalsContact O-CB 3.28Å; L140-H144 WeakPolarHBondContact O-CB 3.12Å; L140-H144 PolarHBondContact O-CD2 3.37Å; L140-H144 PolarHBondContact O-N 3.24Å; L140-H144 PolarHBondContact O-ND1 2.97Å; L140-H151 HydrophobicContact CD2-CB 4.3Å; L140-M154 HydrophobicContact CD1-CE 4.05Å; L140-M154 HydrophobicContact CD1-SD 4.32Å; L140-M154 HydrophobicContact CD2-CG 4.16Å; L140-M154 HydrophobicContact CD2-SD 3.81Å; L140-M154 HydrophobicContact CG-CE 4.4Å; L140-M154 HydrophobicContact CG-SD 4.27Å; L140-L169 HydrophobicContact CD2-CD2 4.41Å; L140-D212 HydrophobicContact CD2-CB 4.13Å; L140-I213 HydrophobicContact CD1-CD1 4.35Å; L140-F216 HydrophobicContact CD1-CB 4.07Å; L140-F216 HydrophobicContact CD1-CD2 4.43Å; L140-F216 HydrophobicContact CD1-CG 4.27Å
141	N	98.2	Very high	95.9	Very high	46 Å²	46	24.4 Å²	24.4	25%	0.246	14%	0.139	C	C	.	.	H	α-helix	trans	-59.6	-42.4	175.6	179.1	39.5	0	0	0	111.8	L137 S138 A139 N145 S254 D255 L258	L137-N141 WeakPolarHBondContact O-CB 3.3Å; L137-N141 PolarHBondContact O-N 2.91Å; S138-N141 PolarHBondContact O-N 3.45Å; A139-N141 VanDerWaalsContact C-N 3.35Å; A139-N141 PolarHBondContact O-N 3.28Å; N141-N145 WeakPolarHBondContact O-CB 3.27Å; N141-N145 PolarHBondContact O-N 2.96Å; N141-N145 PolarHBondContact OD1-ND2 3.1Å; N141-S254 WeakPolarHBondContact CA-OG 3.47Å; N141-S254 PolarHBondContact N-OG 2.97Å; N141-D255 WeakPolarHBondContact OD1-CB 3.47Å; N141-L258 HydrophobicContact CB-CD1 3.75Å
142	F	97	Very high	95.9	Very high	42 Å²	42	23.7 Å²	23.7	18%	0.184	13%	0.133	C	C	.	.	I	π-helix	trans	-61.2	-47.4	172.9	174.9	-106.5	0	0	0	111.9	L88 H90 I93 S138 A139 L140 T146 L147	L88-F142 HydrophobicContact CD2-CE1 4.31Å; H90-F142 HydrophobicContact CB-CD1 4.18Å; H90-F142 HydrophobicContact CB-CE1 4.41Å; H90-F142 AromaticContact CD2-CG 3.83Å; I93-F142 HydrophobicContact CD1-CD1 3.82Å; I93-F142 HydrophobicContact CD1-CE1 4.25Å; S138-F142 PolarHBondContact O-N 3.21Å; S138-F142 VanDerWaalsContact O-N 3.08Å; A139-F142 WeakPolarHBondContact O-CB 3.37Å; A139-F142 PolarHBondContact O-N 3.28Å; L140-F142 VanDerWaalsContact C-N 3.31Å; L140-F142 PolarHBondContact O-N 3.39Å; F142-T146 HydrophobicContact CD2-CG2 4.06Å; F142-T146 HydrophobicContact CE2-CG2 3.83Å; F142-T146 WeakPolarHBondContact O-CA 3.35Å; F142-T146 WeakPolarHBondContact O-CB 3.3Å; F142-T146 PolarHBondContact O-N 3.21Å; F142-T146 PolarHBondContact O-OG1 3.03Å; F142-L147 HydrophobicContact CD1-CD1 4.3Å; F142-L147 HydrophobicContact CE1-CD1 3.67Å; F142-L147 HydrophobicContact CE1-CG 4.16Å; F142-L147 HydrophobicContact CZ-CD1 4.03Å; F142-L147 HydrophobicContact CZ-CD2 4.24Å; F142-L147 HydrophobicContact CZ-CG 4.17Å; F142-L147 PolarHBondContact O-N 2.83Å
143	L	95.8	Very high	95.8	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.01	13%	0.134	C	C	.	.	I	π-helix	trans	-63.1	-46.6	178.7	-63.5	-179.2	0	0	0	112.5	L88 I93 A139 L140 L147 G148 V149 H151 L169 F172	L88-L143 HydrophobicContact CD1-CD2 4.4Å; I93-L143 HydrophobicContact CD1-CD2 4.09Å; I93-L143 HydrophobicContact CD1-CG 4.46Å; A139-L143 WeakPolarHBondContact O-CG 3.42Å; A139-L143 PolarHBondContact O-N 2.9Å; L140-L143 PolarHBondContact O-N 3.33Å; L140-L143 VanDerWaalsContact O-N 3.15Å; L143-L147 HydrophobicContact CD2-CD1 4Å; L143-L147 CarbonylContact O-C 3.56Å; L143-L147 WeakPolarHBondContact O-CA 3.42Å; L143-L147 WeakPolarHBondContact O-CB 3.38Å; L143-L147 PolarHBondContact O-N 2.89Å; L143-G148 PolarHBondContact O-N 3.03Å; L143-V149 CarbonylContact C-O 2.98Å; L143-V149 PolarHBondContact O-N 3.2Å; L143-H151 HydrophobicContact CD1-CB 3.93Å; L143-L169 HydrophobicContact CD1-CD2 3.88Å; L143-F172 HydrophobicContact CD1-CE1 3.78Å; L143-F172 HydrophobicContact CD1-CZ 4.28Å; L143-F172 HydrophobicContact CD2-CE1 3.93Å
144	H	97.3	Very high	95.8	Very high	8 Å²	8	24 Å²	24	4%	0.037	13%	0.134	C	C	.	.	I	π-helix	trans	-73.1	-54.2	-174.4	-61	166.9	0	0	0	111.6	L140 G148 V149 F178 F209 D212 S254	L140-H144 VanDerWaalsContact O-CB 3.28Å; L140-H144 WeakPolarHBondContact O-CB 3.12Å; L140-H144 PolarHBondContact O-CD2 3.37Å; L140-H144 PolarHBondContact O-N 3.24Å; L140-H144 PolarHBondContact O-ND1 2.97Å; H144-G148 WeakPolarHBondContact O-CA 3.37Å; H144-G148 PolarHBondContact O-N 3.41Å; H144-V149 PolarHBondContact CD2-O 2.9Å; H144-F178 HydrophobicContact CB-CE2 4.28Å; H144-F178 HydrophobicContact CB-CZ 3.86Å; H144-F178 AromaticContact CD2-CZ 3.55Å; H144-F178 AromaticContact CG-CZ 3.86Å; H144-F209 HydrophobicContact CB-CB 4.48Å; H144-D212 IonicContact CD2-OD2 3.49Å; H144-D212 IonicContact CE1-OD2 3.94Å; H144-D212 IonicContact NE2-OD2 2.62Å; H144-D212 PolarHBondContact NE2-OD2 3.02Å; H144-S254 PolarHBondContact ND1-OG 3.32Å
145	N	96.2	Very high	95.7	Very high	91 Å²	91	21.8 Å²	21.8	49%	0.487	13%	0.129	S	C	.	.	I	π-helix	trans	-92.8	-22.4	-169.6	-69.2	-26.7	0	0	0	113.7	N141 D255	N141-N145 WeakPolarHBondContact O-CB 3.27Å; N141-N145 PolarHBondContact O-N 2.96Å; N141-N145 PolarHBondContact OD1-ND2 3.1Å; N145-D255 WeakPolarHBondContact ND2-CB 3.47Å; N145-D255 PolarHBondContact ND2-OD1 3.46Å
146	T	95	Very high	95.6	Very high	94 Å²	94	23.8 Å²	23.8	58%	0.577	14%	0.141	S	C	*	.	I	π-helix	trans	-97.8	-39.2	176.5	-45.9	0	0	0	0	112.3	F142	F142-T146 HydrophobicContact CD2-CG2 4.06Å; F142-T146 HydrophobicContact CE2-CG2 3.83Å; F142-T146 WeakPolarHBondContact O-CA 3.35Å; F142-T146 WeakPolarHBondContact O-CB 3.3Å; F142-T146 PolarHBondContact O-N 3.21Å; F142-T146 PolarHBondContact O-OG1 3.03Å
147	L	92.4	Very high	95.3	Very high	74 Å²	74	25.7 Å²	25.7	39%	0.387	15%	0.153	S	C	.	.	I	π-helix	trans	-106.4	-19.4	-174.1	-56	-175.3	0	0	0	114.5	L88 F142 L143 V149	L88-L147 HydrophobicContact CD2-CD1 3.56Å; F142-L147 HydrophobicContact CD1-CD1 4.3Å; F142-L147 HydrophobicContact CE1-CD1 3.67Å; F142-L147 HydrophobicContact CE1-CG 4.16Å; F142-L147 HydrophobicContact CZ-CD1 4.03Å; F142-L147 HydrophobicContact CZ-CD2 4.24Å; F142-L147 HydrophobicContact CZ-CG 4.17Å; F142-L147 PolarHBondContact O-N 2.83Å; L143-L147 HydrophobicContact CD2-CD1 4Å; L143-L147 CarbonylContact O-C 3.56Å; L143-L147 WeakPolarHBondContact O-CA 3.42Å; L143-L147 WeakPolarHBondContact O-CB 3.38Å; L143-L147 PolarHBondContact O-N 2.89Å; L147-V149 VanDerWaalsContact C-N 3.33Å; L147-V149 HydrophobicContact CB-CB 4.36Å; L147-V149 HydrophobicContact CB-CG2 4.07Å
148	G	93.2	Very high	95.1	Very high	25 Å²	25	25.7 Å²	25.7	26%	0.258	15%	0.153	S	C	.	.			trans	64.7	36.5	-174.1	0	0	0	0	0	113	L143 H144 F178	L143-G148 PolarHBondContact O-N 3.03Å; H144-G148 WeakPolarHBondContact O-CA 3.37Å; H144-G148 PolarHBondContact O-N 3.41Å; G148-F178 WeakPolarHBondContact O-CG 3.2Å; G148-F178 PolarHBondContact O-N 3.08Å
149	V	92.5	Very high	95.1	Very high	27 Å²	27	24.4 Å²	24.4	16%	0.164	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	133.9	-175.7	171.5	0	0	0	0	110.4	L143 H144 L147 A175 L176 E177 F178	L143-V149 CarbonylContact C-O 2.98Å; L143-V149 PolarHBondContact O-N 3.2Å; H144-V149 PolarHBondContact CD2-O 2.9Å; L147-V149 VanDerWaalsContact C-N 3.33Å; L147-V149 HydrophobicContact CB-CB 4.36Å; L147-V149 HydrophobicContact CB-CG2 4.07Å; V149-A175 HydrophobicContact CG1-CB 4.16Å; V149-L176 WeakPolarHBondContact CA-O 3.18Å; V149-E177 HydrophobicContact CG2-CG 4.33Å; V149-F178 VanDerWaalsContact C-CE1 3.46Å
150	S	93.7	Very high	95	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	131.4	167.8	-163.2	0	0	0	0	109.4	N152 A175 L176 D212	S150-N152 WeakPolarHBondContact CB-OD1 3.48Å; S150-N152 PolarHBondContact OG-OD1 3.02Å; S150-A175 CarbonylContact O-C 3.54Å; S150-A175 WeakPolarHBondContact O-CA 3.45Å; S150-L176 PolarHBondContact N-O 3.5Å; S150-L176 PolarHBondContact O-N 3.1Å; S150-D212 WeakPolarHBondContact CA-OD2 3.39Å; S150-D212 PolarHBondContact OG-OD2 2.94Å
151	H	94.7	Very high	94.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.145	C	C	.	.			trans	-72.1	-41.4	179.2	178.9	-110.4	0	0	0	112	L140 L143 N153 M154 C170 G171 F172 A175 D212	L140-H151 HydrophobicContact CD2-CB 4.3Å; L143-H151 HydrophobicContact CD1-CB 3.93Å; H151-N153 VanDerWaalsContact CE1-C 3.44Å; H151-N153 PolarHBondContact ND1-N 2.76Å; H151-N153 PolarHBondContact O-N 2.72Å; H151-M154 PolarHBondContact ND1-N 2.96Å; H151-C170 PolarHBondContact CE1-O 3.18Å; H151-C170 VanDerWaalsContact CE1-O 3.22Å; H151-C170 PolarHBondContact NE2-O 3.03Å; H151-G171 PolarHBondContact NE2-O 3.07Å; H151-F172 AromaticContact CD2-CD1 3.73Å; H151-F172 AromaticContact CD2-CE1 3.7Å; H151-A175 PolarHBondContact O-N 3.37Å; H151-D212 PolarHBondContact N-OD1 3.39Å; H151-D212 PolarHBondContact N-OD2 3.17Å
152	N	93.2	Very high	94.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.137	C	C	.	.			trans	62.9	-10.2	177.1	-61.4	-35.8	0	0	0	116.8	S150 F174 M181 I189 Y211 D212	S150-N152 WeakPolarHBondContact CB-OD1 3.48Å; S150-N152 PolarHBondContact OG-OD1 3.02Å; N152-F174 HydrophobicContact CB-CB 3.79Å; N152-F174 VanDerWaalsContact CB-O 3.3Å; N152-F174 WeakPolarHBondContact CB-O 3.46Å; N152-F174 PolarHBondContact ND2-O 3.25Å; N152-M181 PolarHBondContact ND2-SD 3.2Å; N152-M181 WeakPolarHBondContact OD1-CE 3.34Å; N152-I189 HydrophobicContact CB-CD1 3.69Å; N152-I189 WeakPolarHBondContact O-CG2 3.3Å; N152-Y211 HydrophobicContact CB-CE1 4.45Å; N152-D212 WeakPolarHBondContact CA-OD1 3.3Å; N152-D212 PolarHBondContact N-OD1 2.88Å
153	N	92.9	Very high	93.8	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.021	16%	0.159	C	C	.	.			trans	-113.2	27.1	177.5	-158.5	25.7	0	0	0	113.9	H151 G155 S158 G171 E173 F174	H151-N153 VanDerWaalsContact CE1-C 3.44Å; H151-N153 PolarHBondContact ND1-N 2.76Å; H151-N153 PolarHBondContact O-N 2.72Å; N153-G155 PolarHBondContact O-N 3.26Å; N153-G155 VanDerWaalsContact O-N 3.15Å; N153-S158 WeakPolarHBondContact O-CB 3.36Å; N153-S158 PolarHBondContact O-OG 3Å; N153-S158 VanDerWaalsContact O-OG 3.05Å; N153-G171 WeakPolarHBondContact CB-O 2.98Å; N153-G171 PolarHBondContact ND2-O 3.11Å; N153-E173 PolarHBondContact ND2-OE1 2.83Å; N153-F174 HydrophobicContact CB-CD2 3.8Å
154	M	95.9	Very high	93.1	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.01	18%	0.179	C	C	.	.			trans	-60	119.7	178	-72	-59.2	-65.7	0	0	111.2	L136 L140 H151 L169 K193 D212 C215 F216 M219	L136-M154 HydrophobicContact CB-CE 4.4Å; L136-M154 HydrophobicContact CD1-CE 4.25Å; L140-M154 HydrophobicContact CD1-CE 4.05Å; L140-M154 HydrophobicContact CD1-SD 4.32Å; L140-M154 HydrophobicContact CD2-CG 4.16Å; L140-M154 HydrophobicContact CD2-SD 3.81Å; L140-M154 HydrophobicContact CG-CE 4.4Å; L140-M154 HydrophobicContact CG-SD 4.27Å; H151-M154 PolarHBondContact ND1-N 2.96Å; M154-L169 HydrophobicContact CE-CD1 4.32Å; M154-L169 HydrophobicContact SD-CD1 3.43Å; M154-L169 WeakPolarHBondContact SD-CD1 3.13Å; M154-L169 HydrophobicContact SD-CD2 4.09Å; M154-L169 HydrophobicContact SD-CG 4.42Å; M154-K193 PolarHBondContact O-NZ 3.36Å; M154-D212 HydrophobicContact CG-CB 4.44Å; M154-C215 HydrophobicContact CB-CB 3.65Å; M154-F216 HydrophobicContact CE-CB 4.01Å; M154-F216 HydrophobicContact CE-CD2 3.81Å; M154-F216 HydrophobicContact CE-CG 4.39Å; M154-M219 HydrophobicContact CE-CE 4.32Å
155	G	94.5	Very high	92.5	Very high	11 Å²	11	30.8 Å²	30.8	11%	0.113	19%	0.187	C	C	.	.	S	Bend	trans	179	172.7	-179.9	0	0	0	0	0	111.9	N153 T157 S158 M219	N153-G155 PolarHBondContact O-N 3.26Å; N153-G155 VanDerWaalsContact O-N 3.15Å; G155-T157 PolarHBondContact O-N 3.3Å; G155-S158 PolarHBondContact N-OG 3.44Å; G155-S158 PolarHBondContact O-N 3.15Å; G155-S158 PolarHBondContact O-OG 3.07Å; G155-M219 WeakPolarHBondContact CA-SD 3.25Å
156	T	93.9	Very high	92.2	Very high	48 Å²	48	27.8 Å²	27.8	29%	0.294	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-62.9	-28.1	-179.4	51.4	0	0	0	0	112.9	F117 S158 I159 M219 L223	F117-T156 HydrophobicContact CD1-CG2 4.29Å; F117-T156 HydrophobicContact CE1-CG2 4.17Å; T156-S158 PolarHBondContact O-N 3.15Å; T156-I159 PolarHBondContact O-N 3.37Å; T156-M219 HydrophobicContact CG2-CG 4.04Å; T156-M219 HydrophobicContact CG2-SD 4.5Å; T156-L223 HydrophobicContact CG2-CD1 4.25Å; T156-L223 HydrophobicContact CG2-CD2 4.04Å; T156-L223 HydrophobicContact CG2-CG 4.41Å
157	T	93.3	Very high	92.2	Very high	39 Å²	39	23.6 Å²	23.6	24%	0.239	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-71.4	-15.7	175.2	53.8	0	0	0	0	113.5	I24 Y25 G155	I24-T157 HydrophobicContact CG2-CG2 4.38Å; I24-T157 WeakPolarHBondContact CG2-O 3.33Å; Y25-T157 HydrophobicContact CD1-CG2 4.39Å; G155-T157 PolarHBondContact O-N 3.3Å
158	S	94.1	Very high	92.4	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-100.6	13.5	-179.3	84	0	0	0	0	112.8	N153 G155 T156 C170	N153-S158 WeakPolarHBondContact O-CB 3.36Å; N153-S158 PolarHBondContact O-OG 3Å; N153-S158 VanDerWaalsContact O-OG 3.05Å; G155-S158 PolarHBondContact N-OG 3.44Å; G155-S158 PolarHBondContact O-N 3.15Å; G155-S158 PolarHBondContact O-OG 3.07Å; T156-S158 PolarHBondContact O-N 3.15Å; S158-C170 VanDerWaalsContact C-SG 3.51Å; S158-C170 WeakPolarHBondContact CB-O 3.38Å; S158-C170 PolarHBondContact O-N 2.9Å; S158-C170 PolarHBondContact O-SG 2.84Å
159	I	96.4	Very high	92.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	133.5	-176.7	-57.5	168.8	0	0	0	109.7	F117 L136 T156 W167 M219	F117-I159 HydrophobicContact CB-CB 3.7Å; F117-I159 HydrophobicContact CB-CG2 3.78Å; F117-I159 VanDerWaalsContact CB-O 3.27Å; F117-I159 WeakPolarHBondContact CB-O 3.29Å; F117-I159 HydrophobicContact CD2-CG2 3.96Å; F117-I159 HydrophobicContact CG-CB 4.23Å; F117-I159 HydrophobicContact CG-CG2 4.14Å; F117-I159 PolarHBondContact N-O 3.49Å; L136-I159 HydrophobicContact CD1-CD1 3.75Å; L136-I159 HydrophobicContact CD1-CG1 4.23Å; L136-I159 HydrophobicContact CD2-CG1 4.33Å; T156-I159 PolarHBondContact O-N 3.37Å; I159-W167 HydrophobicContact CD1-CE3 3.95Å; I159-W167 HydrophobicContact CD1-CZ3 4.04Å; I159-W167 HydrophobicContact CG2-CB 4.06Å; I159-W167 HydrophobicContact CG2-CD2 4.2Å; I159-W167 HydrophobicContact CG2-CE3 4.1Å; I159-W167 HydrophobicContact CG2-CG 4.21Å; I159-M219 HydrophobicContact CD1-CE 3.67Å; I159-M219 HydrophobicContact CD1-SD 3.51Å; I159-M219 VanDerWaalsContact CD1-SD 3.51Å; I159-M219 HydrophobicContact CG1-SD 4.48Å
160	F	95.9	Very high	92.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	153.5	169.6	-83.2	-117	0	0	0	110.2	I24 F34 I48 L94 V115 P116 W167 K168 C170	I24-F160 HydrophobicContact CD1-CE2 4.03Å; I24-F160 HydrophobicContact CD1-CZ 3.69Å; F34-F160 AromaticContact CD2-CE1 3.62Å; F34-F160 HydrophobicContact CD2-CE1 3.62Å; F34-F160 HydrophobicContact CD2-CZ 4.18Å; F34-F160 AromaticContact CE2-CE1 3.81Å; F34-F160 HydrophobicContact CE2-CE1 3.81Å; I48-F160 HydrophobicContact CD1-CE1 3.89Å; I48-F160 HydrophobicContact CD1-CE2 3.93Å; I48-F160 HydrophobicContact CD1-CZ 3.43Å; I48-F160 VanDerWaalsContact CD1-CZ 3.43Å; I48-F160 HydrophobicContact CG1-CE1 4.21Å; I48-F160 HydrophobicContact CG1-CZ 3.88Å; L94-F160 HydrophobicContact CD1-CB 4.04Å; L94-F160 HydrophobicContact CD1-CD1 4.45Å; L94-F160 HydrophobicContact CD1-CG 4.37Å; L94-F160 HydrophobicContact CD2-CB 4.28Å; L94-F160 HydrophobicContact CD2-CD1 4.02Å; L94-F160 HydrophobicContact CD2-CD2 4.1Å; L94-F160 HydrophobicContact CD2-CE1 4.39Å; L94-F160 HydrophobicContact CD2-CE2 4.49Å; L94-F160 HydrophobicContact CD2-CG 3.87Å; V115-F160 CarbonylContact O-C 3.59Å; V115-F160 WeakPolarHBondContact O-CA 3.31Å; V115-F160 WeakPolarHBondContact O-CB 3.47Å; V115-F160 WeakPolarHBondContact O-CD1 3.35Å; P116-F160 HydrophobicContact CB-CE2 4.47Å; P116-F160 HydrophobicContact CB-CZ 4.28Å; P116-F160 HydrophobicContact CG-CE1 3.89Å; P116-F160 HydrophobicContact CG-CE2 4.49Å; P116-F160 HydrophobicContact CG-CZ 3.82Å; F160-W167 WeakPolarHBondContact O-CA 3.38Å; F160-K168 HydrophobicContact CB-CB 4.47Å; F160-K168 PolarHBondContact N-O 3.03Å; F160-K168 PolarHBondContact O-N 3.42Å; F160-C170 HydrophobicContact CD2-CB 4.09Å; F160-C170 WeakPolarHBondContact CD2-SG 3.47Å; F160-C170 HydrophobicContact CE2-CB 4.38Å; F160-C170 WeakPolarHBondContact CE2-SG 3.24Å
161	I	94.8	Very high	92.5	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.01	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	130.8	176	-54.2	-178	0	0	0	109.2	S114 V115 F117 V121 M165 Y166 L672	S114-I161 CarbonylContact C-O 3.59Å; S114-I161 WeakPolarHBondContact CA-O 3.46Å; S114-I161 VanDerWaalsContact CB-O 3.3Å; S114-I161 WeakPolarHBondContact CB-O 3.39Å; V115-I161 PolarHBondContact N-O 2.95Å; V115-I161 PolarHBondContact O-N 3.39Å; F117-I161 HydrophobicContact CD2-CD1 3.72Å; F117-I161 HydrophobicContact CD2-CG1 4.15Å; F117-I161 HydrophobicContact CE2-CD1 4.3Å; V121-I161 HydrophobicContact CB-CD1 4.49Å; V121-I161 HydrophobicContact CG2-CD1 3.22Å; I161-M165 HydrophobicContact CG2-SD 4.3Å; I161-Y166 WeakPolarHBondContact CA-O 3.35Å; I161-L672 HydrophobicContact CG2-CD2 3.96Å
162	D	90.6	Very high	92.2	Very high	16 Å²	16	19.5 Å²	19.5	9%	0.086	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	179.8	174.4	74	7.4	0	0	0	113.2	S114 N164 M165 Y166 K168	S114-D162 WeakPolarHBondContact OG-CB 3.24Å; D162-N164 PolarHBondContact O-N 3.46Å; D162-N164 VanDerWaalsContact O-N 3.15Å; D162-N164 VanDerWaalsContact OD1-C 3.29Å; D162-N164 VanDerWaalsContact OD1-CA 3.29Å; D162-N164 WeakPolarHBondContact OD1-CA 3.46Å; D162-N164 WeakPolarHBondContact OD1-CB 3.4Å; D162-N164 PolarHBondContact OD1-N 2.88Å; D162-M165 PolarHBondContact O-N 3.37Å; D162-M165 PolarHBondContact OD1-N 3.36Å; D162-M165 VanDerWaalsContact OD1-N 3.1Å; D162-Y166 PolarHBondContact N-O 2.91Å; D162-Y166 PolarHBondContact OD1-N 3.42Å; D162-K168 HydrophobicContact CB-CD 4.08Å; D162-K168 WeakPolarHBondContact OD2-CE 3.44Å; D162-K168 IonicContact OD2-NZ 3.71Å
163	S	83.6	Confident	91.9	Very high	93 Å²	93	20 Å²	20	65%	0.65	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-15	177.9	58.1	0	0	0	0	114.5
164	N	81.3	Confident	91.6	Very high	79 Å²	79	19.9 Å²	19.9	42%	0.422	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	9.4	177.7	-60.9	-25.9	0	0	0	111.7	D162 Y166	D162-N164 PolarHBondContact O-N 3.46Å; D162-N164 VanDerWaalsContact O-N 3.15Å; D162-N164 VanDerWaalsContact OD1-C 3.29Å; D162-N164 VanDerWaalsContact OD1-CA 3.29Å; D162-N164 WeakPolarHBondContact OD1-CA 3.46Å; D162-N164 WeakPolarHBondContact OD1-CB 3.4Å; D162-N164 PolarHBondContact OD1-N 2.88Å; N164-Y166 HydrophobicContact CB-CD2 3.85Å; N164-Y166 HydrophobicContact CB-CE2 4.35Å; N164-Y166 PolarHBondContact O-N 3.49Å
165	M	84	Confident	91.3	Very high	42 Å²	42	20.5 Å²	20.5	21%	0.207	12%	0.122	C	C	.	.			trans	64.4	19	-177.4	-54.5	-63.2	-67.4	0	0	114.5	I161 D162 L672 Y674	I161-M165 HydrophobicContact CG2-SD 4.3Å; D162-M165 PolarHBondContact O-N 3.37Å; D162-M165 PolarHBondContact OD1-N 3.36Å; D162-M165 VanDerWaalsContact OD1-N 3.1Å; M165-L672 HydrophobicContact SD-CD2 3.69Å; M165-Y674 HydrophobicContact CE-CE2 3.83Å
166	Y	89.9	Confident	91.1	Very high	28 Å²	28	21.5 Å²	21.5	11%	0.11	13%	0.125	C	C	.	.			trans	-77.7	133.9	175.2	-85.9	-99.7	0	0	0	111.3	I161 D162 N164 D275 K312	I161-Y166 WeakPolarHBondContact CA-O 3.35Å; D162-Y166 PolarHBondContact N-O 2.91Å; D162-Y166 PolarHBondContact OD1-N 3.42Å; N164-Y166 HydrophobicContact CB-CD2 3.85Å; N164-Y166 HydrophobicContact CB-CE2 4.35Å; N164-Y166 PolarHBondContact O-N 3.49Å; Y166-D275 PolarHBondContact OH-OD1 3.12Å; Y166-D275 PolarHBondContact OH-OD2 3.28Å; Y166-K312 WeakPolarHBondContact OH-CE 3.43Å; Y166-K312 PolarHBondContact OH-NZ 2.91Å
167	W	96.3	Very high	91	Very high	5 Å²	5	23.6 Å²	23.6	2%	0.019	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	127.6	170.6	-67.2	28.7	0	0	0	109	F117 P124 L129 S135 L136 I159 F160 I220 L223	F117-W167 HydrophobicContact CD2-CD2 4.39Å; F117-W167 HydrophobicContact CD2-CH2 4.4Å; F117-W167 HydrophobicContact CD2-CZ2 4.2Å; F117-W167 HydrophobicContact CE2-CD2 4.3Å; F117-W167 AromaticContact CE2-CE2 3.72Å; F117-W167 HydrophobicContact CE2-CE3 4.48Å; F117-W167 AromaticContact CE2-CH2 3.54Å; F117-W167 HydrophobicContact CE2-CH2 3.54Å; F117-W167 AromaticContact CE2-CZ2 3.34Å; F117-W167 HydrophobicContact CE2-CZ2 3.34Å; F117-W167 HydrophobicContact CE2-CZ3 4.13Å; F117-W167 AromaticContact CZ-CH2 3.95Å; F117-W167 HydrophobicContact CZ-CH2 3.95Å; F117-W167 HydrophobicContact CZ-CZ2 4.09Å; P124-W167 HydrophobicContact CB-CZ2 4.33Å; L129-W167 HydrophobicContact CD2-CH2 4.03Å; S135-W167 WeakPolarHBondContact CB-O 3.25Å; L136-W167 HydrophobicContact CD1-CE3 3.74Å; L136-W167 HydrophobicContact CD1-CZ3 4.17Å; L136-W167 HydrophobicContact CG-CB 4.49Å; L136-W167 HydrophobicContact CG-CE3 4.24Å; I159-W167 HydrophobicContact CD1-CE3 3.95Å; I159-W167 HydrophobicContact CD1-CZ3 4.04Å; I159-W167 HydrophobicContact CG2-CB 4.06Å; I159-W167 HydrophobicContact CG2-CD2 4.2Å; I159-W167 HydrophobicContact CG2-CE3 4.1Å; I159-W167 HydrophobicContact CG2-CG 4.21Å; F160-W167 WeakPolarHBondContact O-CA 3.38Å; W167-I220 HydrophobicContact CZ3-CD1 4.09Å; W167-L223 HydrophobicContact CH2-CD1 4.06Å; W167-L223 HydrophobicContact CZ3-CD1 4.37Å
168	K	96.9	Very high	91	Very high	12 Å²	12	23.9 Å²	23.9	5%	0.052	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	124.3	-174.7	-72.3	169.7	172.9	-77.4	0	109.7	P91 S92 L94 E112 F160 D162	P91-K168 PolarHBondContact O-NZ 3.35Å; S92-K168 WeakPolarHBondContact O-CA 3.45Å; L94-K168 HydrophobicContact CB-CB 4.14Å; L94-K168 HydrophobicContact CD1-CB 4.45Å; L94-K168 HydrophobicContact CD1-CD 4.21Å; E112-K168 VanDerWaalsContact OE1-CD 3.25Å; E112-K168 WeakPolarHBondContact OE1-CD 3.44Å; E112-K168 VanDerWaalsContact OE1-CE 3.23Å; E112-K168 WeakPolarHBondContact OE1-CE 3.21Å; E112-K168 IonicContact OE1-NZ 3.14Å; E112-K168 PolarHBondContact OE1-NZ 3.39Å; E112-K168 IonicContact OE2-NZ 3.91Å; E112-K168 PolarHBondContact OE2-NZ 2.84Å; F160-K168 HydrophobicContact CB-CB 4.47Å; F160-K168 PolarHBondContact N-O 3.03Å; F160-K168 PolarHBondContact O-N 3.42Å; D162-K168 HydrophobicContact CB-CD 4.08Å; D162-K168 WeakPolarHBondContact OD2-CE 3.44Å; D162-K168 IonicContact OD2-NZ 3.71Å
169	L	97.1	Very high	90.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	128.8	177.4	-174.2	60.6	0	0	0	110.6	S92 L94 L136 A139 L140 L143 M154 F172	S92-L169 PolarHBondContact O-N 3.21Å; L94-L169 PolarHBondContact N-O 2.81Å; L136-L169 HydrophobicContact CD2-CB 4.2Å; L136-L169 HydrophobicContact CD2-CD1 4.44Å; A139-L169 HydrophobicContact CB-CB 4.12Å; A139-L169 HydrophobicContact CB-CD2 4.07Å; L140-L169 HydrophobicContact CD2-CD2 4.41Å; L143-L169 HydrophobicContact CD1-CD2 3.88Å; M154-L169 HydrophobicContact CE-CD1 4.32Å; M154-L169 HydrophobicContact SD-CD1 3.43Å; M154-L169 WeakPolarHBondContact SD-CD1 3.13Å; M154-L169 HydrophobicContact SD-CD2 4.09Å; M154-L169 HydrophobicContact SD-CG 4.42Å; L169-F172 HydrophobicContact CD2-CZ 4.29Å; L169-F172 HydrophobicContact CG-CZ 4.28Å
170	C	92.7	Very high	90.5	Very high	10 Å²	10	35.3 Å²	35.3	7%	0.068	18%	0.182	C	C	.	.			trans	-131.3	-170.3	169.4	80.8	0	0	0	0	109.7	L94 H151 S158 F160	L94-C170 HydrophobicContact CB-CB 4.02Å; L94-C170 HydrophobicContact CD2-CB 3.79Å; H151-C170 PolarHBondContact CE1-O 3.18Å; H151-C170 VanDerWaalsContact CE1-O 3.22Å; H151-C170 PolarHBondContact NE2-O 3.03Å; S158-C170 VanDerWaalsContact C-SG 3.51Å; S158-C170 WeakPolarHBondContact CB-O 3.38Å; S158-C170 PolarHBondContact O-N 2.9Å; S158-C170 PolarHBondContact O-SG 2.84Å; F160-C170 HydrophobicContact CD2-CB 4.09Å; F160-C170 WeakPolarHBondContact CD2-SG 3.47Å; F160-C170 HydrophobicContact CE2-CB 4.38Å; F160-C170 WeakPolarHBondContact CE2-SG 3.24Å
171	G	90.2	Very high	90.2	Very high	4 Å²	4	35.9 Å²	35.9	4%	0.041	19%	0.185	C	C	.	.			trans	86.2	38.8	172.6	0	0	0	0	0	114	H151 N153 E173	H151-G171 PolarHBondContact NE2-O 3.07Å; N153-G171 WeakPolarHBondContact CB-O 2.98Å; N153-G171 PolarHBondContact ND2-O 3.11Å; G171-E173 WeakPolarHBondContact CA-OE1 3.41Å; G171-E173 WeakPolarHBondContact CA-OE2 3.48Å; G171-E173 PolarHBondContact O-N 3.25Å; G171-E173 VanDerWaalsContact O-N 3.13Å
172	F	89.5	Confident	90.1	Very high	14 Å²	14	37.4 Å²	37.4	6%	0.061	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-76.6	9.6	-174	-71.9	-93.9	0	0	0	114.6	P85 L88 I93 L143 H151 L169 F174 A175	P85-F172 HydrophobicContact CB-CD2 4.03Å; P85-F172 HydrophobicContact CB-CG 4.39Å; P85-F172 HydrophobicContact CG-CB 4.32Å; P85-F172 HydrophobicContact CG-CD2 4.47Å; L88-F172 HydrophobicContact CD1-CD1 4.12Å; L88-F172 HydrophobicContact CD1-CE1 3.64Å; L88-F172 HydrophobicContact CD1-CE2 4.38Å; L88-F172 HydrophobicContact CD1-CZ 3.8Å; I93-F172 HydrophobicContact CD1-CZ 4.29Å; I93-F172 HydrophobicContact CG2-CE2 3.86Å; I93-F172 HydrophobicContact CG2-CZ 3.84Å; L143-F172 HydrophobicContact CD1-CE1 3.78Å; L143-F172 HydrophobicContact CD1-CZ 4.28Å; L143-F172 HydrophobicContact CD2-CE1 3.93Å; H151-F172 AromaticContact CD2-CD1 3.73Å; H151-F172 AromaticContact CD2-CE1 3.7Å; L169-F172 HydrophobicContact CD2-CZ 4.29Å; L169-F172 HydrophobicContact CG-CZ 4.28Å; F172-F174 PolarHBondContact O-N 2.87Å; F172-A175 HydrophobicContact CB-CB 4.26Å; F172-A175 HydrophobicContact CD1-CB 4.08Å; F172-A175 VanDerWaalsContact O-CB 3.26Å; F172-A175 WeakPolarHBondContact O-CB 3.22Å; F172-A175 PolarHBondContact O-N 2.94Å
173	E	85.3	Confident	90.1	Very high	10 Å²	10	38 Å²	38	5%	0.047	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-62.2	-20.7	-179.6	54.2	-81.4	178.1	0	0	115.8	Y25 Y50 L82 N153 G171	Y25-E173 PolarHBondContact OH-OE1 3.33Å; Y50-E173 HydrophobicContact CE1-CB 4.4Å; Y50-E173 HydrophobicContact CE1-CG 4.36Å; Y50-E173 VanDerWaalsContact CE1-OE2 3.31Å; Y50-E173 WeakPolarHBondContact CE1-OE2 3.45Å; Y50-E173 PolarHBondContact OH-OE2 3.3Å; L82-E173 HydrophobicContact CD2-CB 3.25Å; N153-E173 PolarHBondContact ND2-OE1 2.83Å; G171-E173 WeakPolarHBondContact CA-OE1 3.41Å; G171-E173 WeakPolarHBondContact CA-OE2 3.48Å; G171-E173 PolarHBondContact O-N 3.25Å; G171-E173 VanDerWaalsContact O-N 3.13Å
174	F	88	Confident	90.5	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.009	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-107.4	5.2	176	-54.1	-34.7	0	0	0	112.6	L74 N152 N153 F172 L176 I189 L192	L74-F174 HydrophobicContact CD1-CD1 3.84Å; L74-F174 HydrophobicContact CD1-CE1 4.2Å; N152-F174 HydrophobicContact CB-CB 3.79Å; N152-F174 VanDerWaalsContact CB-O 3.3Å; N152-F174 WeakPolarHBondContact CB-O 3.46Å; N152-F174 PolarHBondContact ND2-O 3.25Å; N153-F174 HydrophobicContact CB-CD2 3.8Å; F172-F174 PolarHBondContact O-N 2.87Å; F174-L176 PolarHBondContact O-N 3.5Å; F174-I189 HydrophobicContact CB-CD1 4.35Å; F174-I189 HydrophobicContact CB-CG1 4.36Å; F174-I189 HydrophobicContact CD2-CG2 4.16Å; F174-I189 HydrophobicContact CG-CG1 4.39Å; F174-L192 HydrophobicContact CE1-CD1 4.04Å; F174-L192 HydrophobicContact CZ-CB 4.44Å; F174-L192 HydrophobicContact CZ-CD1 4.05Å
175	A	90	Very high	91	Very high	16 Å²	16	33.5 Å²	33.5	13%	0.132	17%	0.172	C	C	.	.			trans	-66.1	133.1	-175.4	0	0	0	0	0	111.3	V149 S150 H151 F172	V149-A175 HydrophobicContact CG1-CB 4.16Å; S150-A175 CarbonylContact O-C 3.54Å; S150-A175 WeakPolarHBondContact O-CA 3.45Å; H151-A175 PolarHBondContact O-N 3.37Å; F172-A175 HydrophobicContact CB-CB 4.26Å; F172-A175 HydrophobicContact CD1-CB 4.08Å; F172-A175 VanDerWaalsContact O-CB 3.26Å; F172-A175 WeakPolarHBondContact O-CB 3.22Å; F172-A175 PolarHBondContact O-N 2.94Å
176	L	90.1	Very high	91.4	Very high	32 Å²	32	31.5 Å²	31.5	17%	0.168	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	143.2	-179.1	-69.9	174.6	0	0	0	110.5	L74 V149 S150 F174 M181 H185	L74-L176 HydrophobicContact CD2-CD1 3.96Å; V149-L176 WeakPolarHBondContact CA-O 3.18Å; S150-L176 PolarHBondContact N-O 3.5Å; S150-L176 PolarHBondContact O-N 3.1Å; F174-L176 PolarHBondContact O-N 3.5Å; L176-M181 HydrophobicContact CB-CG 4.25Å; L176-M181 HydrophobicContact CB-SD 3.75Å; L176-M181 HydrophobicContact CD1-SD 3.75Å; L176-M181 HydrophobicContact CG-SD 4.34Å; L176-H185 HydrophobicContact CD1-CB 4.34Å
177	E	90.8	Very high	91.5	Very high	91 Å²	91	34.1 Å²	34.1	43%	0.425	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	140.4	166.8	-66.6	-177.4	-144.3	0	0	110	V149 K179 N180 M181	V149-E177 HydrophobicContact CG2-CG 4.33Å; E177-K179 HydrophobicContact CB-CG 4.24Å; E177-K179 PolarHBondContact O-N 3.15Å; E177-K179 VanDerWaalsContact O-N 3.09Å; E177-K179 IonicContact OE1-NZ 3.85Å; E177-K179 WeakPolarHBondContact OE2-CD 3.39Å; E177-K179 WeakPolarHBondContact OE2-CE 3.4Å; E177-K179 IonicContact OE2-NZ 3.34Å; E177-K179 PolarHBondContact OE2-NZ 2.96Å; E177-N180 PolarHBondContact O-N 2.87Å; E177-M181 PolarHBondContact O-N 3.04Å
178	F	93.6	Very high	91.2	Very high	45 Å²	45	34.5 Å²	34.5	20%	0.197	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-53	-36.2	-178.3	-73.5	-22.1	0	0	0	113.3	H144 G148 V149 N180 M181 A208 F209	H144-F178 HydrophobicContact CB-CE2 4.28Å; H144-F178 HydrophobicContact CB-CZ 3.86Å; H144-F178 AromaticContact CD2-CZ 3.55Å; H144-F178 AromaticContact CG-CZ 3.86Å; G148-F178 WeakPolarHBondContact O-CG 3.2Å; G148-F178 PolarHBondContact O-N 3.08Å; V149-F178 VanDerWaalsContact C-CE1 3.46Å; F178-N180 PolarHBondContact O-N 3.24Å; F178-M181 WeakPolarHBondContact O-CB 3.47Å; F178-M181 PolarHBondContact O-N 3.5Å; F178-A208 HydrophobicContact CB-CB 3.62Å; F178-A208 HydrophobicContact CD1-CB 3.5Å; F178-A208 VanDerWaalsContact CD1-CB 3.5Å; F178-A208 HydrophobicContact CD2-CB 4.06Å; F178-A208 HydrophobicContact CE1-CB 4.07Å; F178-A208 HydrophobicContact CG-CB 3.47Å; F178-A208 VanDerWaalsContact CG-CB 3.47Å; F178-F209 HydrophobicContact CZ-CB 3.99Å
179	K	90.4	Very high	90.8	Very high	158 Å²	158	34 Å²	34	69%	0.687	17%	0.171	S	C	*	.	G	3₁₀ helix	trans	-64.8	-20.6	178.3	78.1	-166.8	-168.7	-154.3	0	114.1	E177	E177-K179 HydrophobicContact CB-CG 4.24Å; E177-K179 PolarHBondContact O-N 3.15Å; E177-K179 VanDerWaalsContact O-N 3.09Å; E177-K179 IonicContact OE1-NZ 3.85Å; E177-K179 WeakPolarHBondContact OE2-CD 3.39Å; E177-K179 WeakPolarHBondContact OE2-CE 3.4Å; E177-K179 IonicContact OE2-NZ 3.34Å; E177-K179 PolarHBondContact OE2-NZ 2.96Å
180	N	89.4	Confident	90.6	Very high	82 Å²	82	34.1 Å²	34.1	44%	0.439	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-99.7	-4.1	-179.5	-62.6	-20.8	0	0	0	112.3	E177 F178 H185	E177-N180 PolarHBondContact O-N 2.87Å; F178-N180 PolarHBondContact O-N 3.24Å; N180-H185 PolarHBondContact O-CE1 3.24Å; N180-H185 PolarHBondContact O-ND1 2.84Å
181	M	90	Very high	90.4	Very high	13 Å²	13	37 Å²	37	6%	0.064	19%	0.189	C	C	.	.			trans	-74.6	142.9	-179.5	-75.4	-67.4	-70.4	0	0	111.8	N152 L176 E177 F178 I186 F203	N152-M181 PolarHBondContact ND2-SD 3.2Å; N152-M181 WeakPolarHBondContact OD1-CE 3.34Å; L176-M181 HydrophobicContact CB-CG 4.25Å; L176-M181 HydrophobicContact CB-SD 3.75Å; L176-M181 HydrophobicContact CD1-SD 3.75Å; L176-M181 HydrophobicContact CG-SD 4.34Å; E177-M181 PolarHBondContact O-N 3.04Å; F178-M181 WeakPolarHBondContact O-CB 3.47Å; F178-M181 PolarHBondContact O-N 3.5Å; M181-I186 HydrophobicContact CE-CD1 4.26Å; M181-I186 HydrophobicContact CE-CG1 3.99Å; M181-F203 HydrophobicContact CB-CE1 4.42Å; M181-F203 HydrophobicContact CB-CE2 4.14Å; M181-F203 HydrophobicContact CB-CZ 3.61Å
182	S	91.4	Very high	90.3	Very high	34 Å²	34	37.7 Å²	37.7	24%	0.238	19%	0.191	C	C	.	.			trans	-149.1	166.2	172.6	77.8	0	0	0	0	111.2	D184 H185 I186	S182-D184 PolarHBondContact O-N 3.4Å; S182-D184 PolarHBondContact OG-N 3.09Å; S182-H185 PolarHBondContact N-ND1 3.14Å; S182-H185 WeakPolarHBondContact O-CB 3.42Å; S182-H185 PolarHBondContact O-N 3.01Å; S182-H185 PolarHBondContact OG-ND1 3.02Å; S182-I186 PolarHBondContact O-N 2.69Å
183	A	92.1	Very high	90.2	Very high	29 Å²	29	39.1 Å²	39.1	24%	0.24	20%	0.198	C	C	.	.	H	α-helix	trans	-61.7	-28.8	176	0	0	0	0	0	113.1	I186 R187 F203	A183-I186 PolarHBondContact O-N 3.25Å; A183-R187 PolarHBondContact O-N 3.28Å; A183-F203 HydrophobicContact CB-CB 4.27Å
184	D	92	Very high	90.4	Very high	59 Å²	59	41.8 Å²	41.8	32%	0.316	23%	0.228	S	C	.	.	H	α-helix	trans	-66.3	-40.5	175	-68.9	-60.3	0	0	0	112.2	Y70 L73 S182 I186 R187 K188	Y70-D184 HydrophobicContact CD1-CB 4.3Å; Y70-D184 HydrophobicContact CE1-CB 4.18Å; Y70-D184 WeakPolarHBondContact CE1-OD1 3.4Å; L73-D184 HydrophobicContact CD1-CB 3.68Å; S182-D184 PolarHBondContact O-N 3.4Å; S182-D184 PolarHBondContact OG-N 3.09Å; D184-I186 VanDerWaalsContact C-N 3.33Å; D184-I186 PolarHBondContact O-N 3.13Å; D184-R187 VanDerWaalsContact CG-NH2 3.3Å; D184-R187 PolarHBondContact O-N 2.94Å; D184-R187 IonicContact OD1-CZ 2.64Å; D184-R187 IonicContact OD1-NE 3.94Å; D184-R187 IonicContact OD1-NH2 3.78Å; D184-R187 PolarHBondContact OD1-NH2 3.41Å; D184-R187 IonicContact OD2-NH2 3.74Å; D184-K188 PolarHBondContact O-N 3.47Å
185	H	90.2	Very high	90.4	Very high	18 Å²	18	45.8 Å²	45.8	8%	0.083	25%	0.246	C	C	.	.	H	α-helix	trans	-60.2	-46.3	175.1	-65.7	100	0	0	0	110.6	L73 L176 N180 S182 R187 K188 I189	L73-H185 PolarHBondContact O-CD2 3.37Å; L73-H185 PolarHBondContact O-NE2 2.74Å; L73-H185 VanDerWaalsContact O-NE2 3.09Å; L176-H185 HydrophobicContact CD1-CB 4.34Å; N180-H185 PolarHBondContact O-CE1 3.24Å; N180-H185 PolarHBondContact O-ND1 2.84Å; S182-H185 PolarHBondContact N-ND1 3.14Å; S182-H185 WeakPolarHBondContact O-CB 3.42Å; S182-H185 PolarHBondContact O-N 3.01Å; S182-H185 PolarHBondContact OG-ND1 3.02Å; H185-R187 PolarHBondContact O-N 3.5Å; H185-K188 PolarHBondContact O-N 2.61Å; H185-I189 WeakPolarHBondContact O-CD1 3.28Å; H185-I189 VanDerWaalsContact O-CG1 3.23Å; H185-I189 WeakPolarHBondContact O-CG1 3.26Å; H185-I189 PolarHBondContact O-N 2.92Å
186	I	93.2	Very high	90.2	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-61.2	-45.9	179.3	-69.3	165.8	0	0	0	111.3	M181 S182 A183 D184 K188 I189 E190 L201 F203 Y211	M181-I186 HydrophobicContact CE-CD1 4.26Å; M181-I186 HydrophobicContact CE-CG1 3.99Å; S182-I186 PolarHBondContact O-N 2.69Å; A183-I186 PolarHBondContact O-N 3.25Å; D184-I186 VanDerWaalsContact C-N 3.33Å; D184-I186 PolarHBondContact O-N 3.13Å; I186-K188 VanDerWaalsContact C-N 3.33Å; I186-K188 PolarHBondContact O-N 3.38Å; I186-I189 PolarHBondContact O-N 3.02Å; I186-E190 PolarHBondContact O-N 2.96Å; I186-L201 HydrophobicContact CG2-CD2 4.12Å; I186-F203 HydrophobicContact CD1-CB 3.63Å; I186-F203 HydrophobicContact CD1-CD2 3.3Å; I186-F203 HydrophobicContact CD1-CE2 4.09Å; I186-F203 HydrophobicContact CD1-CG 3.58Å; I186-Y211 HydrophobicContact CD1-CD2 4.36Å; I186-Y211 HydrophobicContact CD1-CG 4.08Å; I186-Y211 HydrophobicContact CG1-CD1 4.14Å; I186-Y211 HydrophobicContact CG1-CD2 4.19Å; I186-Y211 HydrophobicContact CG1-CG 3.92Å; I186-Y211 HydrophobicContact CG2-CD2 3.61Å; I186-Y211 HydrophobicContact CG2-CE2 3.6Å; I186-Y211 HydrophobicContact CG2-CG 4.22Å
187	R	93.1	Very high	90.2	Very high	82 Å²	82	54.7 Å²	54.7	31%	0.309	29%	0.286	S	S	.	.	H	α-helix	trans	-55.6	-48.1	174.9	-80.4	-171.8	-72	-86.4	9.1	111.8	A183 D184 H185 I189 E190 V191 L201	A183-R187 PolarHBondContact O-N 3.28Å; D184-R187 VanDerWaalsContact CG-NH2 3.3Å; D184-R187 PolarHBondContact O-N 2.94Å; D184-R187 IonicContact OD1-CZ 2.64Å; D184-R187 IonicContact OD1-NE 3.94Å; D184-R187 IonicContact OD1-NH2 3.78Å; D184-R187 PolarHBondContact OD1-NH2 3.41Å; D184-R187 IonicContact OD2-NH2 3.74Å; H185-R187 PolarHBondContact O-N 3.5Å; R187-I189 VanDerWaalsContact C-N 3.33Å; R187-I189 PolarHBondContact O-N 2.95Å; R187-E190 PolarHBondContact O-N 3.15Å; R187-V191 VanDerWaalsContact O-CG2 3.31Å; R187-V191 WeakPolarHBondContact O-CG2 3.38Å; R187-V191 PolarHBondContact O-N 3.33Å; R187-V191 VanDerWaalsContact O-N 3.12Å; R187-L201 HydrophobicContact CG-CD1 4.32Å; R187-L201 HydrophobicContact CG-CD2 3.88Å
188	K	88.5	Confident	90.3	Very high	14 Å²	14	54.1 Å²	54.1	6%	0.061	30%	0.297	C	S	.	.	H	α-helix	trans	-60.7	-43	178.1	-170.8	-171.8	-176.1	178.6	0	111.7	Y70 A71 L73 L74 D184 H185 I186 V191 L192	Y70-K188 HydrophobicContact CG-CB 4.39Å; Y70-K188 VanDerWaalsContact O-CD 3.24Å; Y70-K188 WeakPolarHBondContact O-CD 3.31Å; Y70-K188 WeakPolarHBondContact O-CE 3.41Å; Y70-K188 PolarHBondContact O-NZ 2.7Å; A71-K188 VanDerWaalsContact C-NZ 3.33Å; A71-K188 PolarHBondContact O-NZ 3.3Å; L73-K188 HydrophobicContact CB-CD 4.47Å; L74-K188 HydrophobicContact CD1-CD 3.79Å; L74-K188 HydrophobicContact CD1-CG 4.4Å; L74-K188 HydrophobicContact CG-CD 3.98Å; D184-K188 PolarHBondContact O-N 3.47Å; H185-K188 PolarHBondContact O-N 2.61Å; I186-K188 VanDerWaalsContact C-N 3.33Å; I186-K188 PolarHBondContact O-N 3.38Å; K188-V191 PolarHBondContact O-N 3.17Å; K188-L192 HydrophobicContact CG-CD1 4.23Å; K188-L192 WeakPolarHBondContact O-CG 3.43Å; K188-L192 PolarHBondContact O-N 3.26Å
189	I	90.2	Very high	90.3	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-66.1	-45.5	-179.1	-68	157.1	0	0	0	111.3	L74 N152 F174 H185 I186 R187 V191 L192 K193 Y211	L74-I189 HydrophobicContact CD1-CG1 4.01Å; L74-I189 HydrophobicContact CD2-CD1 4.36Å; L74-I189 HydrophobicContact CD2-CG1 4.44Å; N152-I189 HydrophobicContact CB-CD1 3.69Å; N152-I189 WeakPolarHBondContact O-CG2 3.3Å; F174-I189 HydrophobicContact CB-CD1 4.35Å; F174-I189 HydrophobicContact CB-CG1 4.36Å; F174-I189 HydrophobicContact CD2-CG2 4.16Å; F174-I189 HydrophobicContact CG-CG1 4.39Å; H185-I189 WeakPolarHBondContact O-CD1 3.28Å; H185-I189 VanDerWaalsContact O-CG1 3.23Å; H185-I189 WeakPolarHBondContact O-CG1 3.26Å; H185-I189 PolarHBondContact O-N 2.92Å; I186-I189 PolarHBondContact O-N 3.02Å; R187-I189 VanDerWaalsContact C-N 3.33Å; R187-I189 PolarHBondContact O-N 2.95Å; I189-V191 VanDerWaalsContact C-N 3.3Å; I189-V191 PolarHBondContact O-N 3.11Å; I189-L192 PolarHBondContact O-N 2.9Å; I189-K193 HydrophobicContact CG2-CD 3.77Å; I189-K193 HydrophobicContact CG2-CG 4.41Å; I189-K193 WeakPolarHBondContact O-CG 3.47Å; I189-K193 PolarHBondContact O-N 3.34Å; I189-Y211 HydrophobicContact CG2-CE1 4.12Å; I189-Y211 WeakPolarHBondContact CG2-OH 3.45Å
190	E	92	Very high	90.5	Very high	3 Å²	3	49.8 Å²	49.8	1%	0.014	28%	0.278	C	S	.	.	H	α-helix	trans	-59.1	-42.3	176.2	-75.8	-70.4	124.5	0	0	111.1	I186 R187 K193 G194 Q195 L201 Y211 R218	I186-E190 PolarHBondContact O-N 2.96Å; R187-E190 PolarHBondContact O-N 3.15Å; E190-K193 CarbonylContact O-C 3.53Å; E190-K193 PolarHBondContact O-N 3.03Å; E190-G194 PolarHBondContact O-N 3.44Å; E190-G194 VanDerWaalsContact O-N 3.16Å; E190-Q195 CarbonylContact C-O 3.58Å; E190-Q195 PolarHBondContact O-N 2.85Å; E190-Q195 WeakPolarHBondContact OE2-CB 3.26Å; E190-L201 HydrophobicContact CB-CD2 4.42Å; E190-L201 HydrophobicContact CG-CD2 4.09Å; E190-Y211 HydrophobicContact CG-CE2 4.11Å; E190-Y211 WeakPolarHBondContact OE1-CE2 3.37Å; E190-Y211 PolarHBondContact OE1-OH 2.91Å; E190-R218 IonicContact OE1-CZ 3.82Å; E190-R218 IonicContact OE1-NH1 2.76Å; E190-R218 IonicContact OE1-NH2 2.8Å; E190-R218 PolarHBondContact OE1-NH2 3.39Å; E190-R218 IonicContact OE2-CZ 2.93Å; E190-R218 IonicContact OE2-NH1 3.36Å; E190-R218 PolarHBondContact OE2-NH1 2.96Å; E190-R218 IonicContact OE2-NH2 2.61Å
191	V	89.1	Confident	90.7	Very high	72 Å²	72	48.6 Å²	48.6	44%	0.436	27%	0.271	S	S	.	.	H	α-helix	trans	-60.3	-46.9	174.1	173.2	0	0	0	0	111.6	V67 R187 K188 I189 K193 G194	V67-V191 HydrophobicContact CG2-CG1 4.06Å; R187-V191 VanDerWaalsContact O-CG2 3.31Å; R187-V191 WeakPolarHBondContact O-CG2 3.38Å; R187-V191 PolarHBondContact O-N 3.33Å; R187-V191 VanDerWaalsContact O-N 3.12Å; K188-V191 PolarHBondContact O-N 3.17Å; I189-V191 VanDerWaalsContact C-N 3.3Å; I189-V191 PolarHBondContact O-N 3.11Å; V191-K193 PolarHBondContact O-N 2.93Å; V191-G194 PolarHBondContact O-N 2.94Å
192	L	86.8	Confident	90.9	Very high	17 Å²	17	51.3 Å²	51.3	9%	0.089	29%	0.286	C	S	.	.	H	α-helix	trans	-64.3	-24.9	178.2	-74.5	172	0	0	0	113.6	N27 D28 L74 F174 K188 I189	N27-L192 WeakPolarHBondContact CB-O 3.37Å; D28-L192 HydrophobicContact CB-CD2 4.47Å; L74-L192 HydrophobicContact CD1-CD1 3.93Å; F174-L192 HydrophobicContact CE1-CD1 4.04Å; F174-L192 HydrophobicContact CZ-CB 4.44Å; F174-L192 HydrophobicContact CZ-CD1 4.05Å; K188-L192 HydrophobicContact CG-CD1 4.23Å; K188-L192 WeakPolarHBondContact O-CG 3.43Å; K188-L192 PolarHBondContact O-N 3.26Å; I189-L192 PolarHBondContact O-N 2.9Å
193	K	88.3	Confident	91.1	Very high	45 Å²	45	51.4 Å²	51.4	20%	0.196	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-2	175.9	-66.9	173.3	73.8	177.7	0	112.8	M154 I189 E190 V191 Q195	M154-K193 PolarHBondContact O-NZ 3.36Å; I189-K193 HydrophobicContact CG2-CD 3.77Å; I189-K193 HydrophobicContact CG2-CG 4.41Å; I189-K193 WeakPolarHBondContact O-CG 3.47Å; I189-K193 PolarHBondContact O-N 3.34Å; E190-K193 CarbonylContact O-C 3.53Å; E190-K193 PolarHBondContact O-N 3.03Å; V191-K193 PolarHBondContact O-N 2.93Å; K193-Q195 HydrophobicContact CB-CG 4.01Å; K193-Q195 PolarHBondContact O-N 2.96Å
194	G	88.5	Confident	91.2	Very high	66 Å²	66	52.4 Å²	52.4	68%	0.68	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	28.7	-174.8	0	0	0	0	0	112.9	E190 V191	E190-G194 PolarHBondContact O-N 3.44Å; E190-G194 VanDerWaalsContact O-N 3.16Å; V191-G194 PolarHBondContact O-N 2.94Å
195	Q	88.7	Confident	91.3	Very high	85 Å²	85	54 Å²	54	40%	0.397	30%	0.297	S	S	.	.			trans	-109.1	145.2	-178.7	-63.2	-61.2	-45.4	0	0	110.3	E190 K193	E190-Q195 CarbonylContact C-O 3.58Å; E190-Q195 PolarHBondContact O-N 2.85Å; E190-Q195 WeakPolarHBondContact OE2-CB 3.26Å; K193-Q195 HydrophobicContact CB-CG 4.01Å; K193-Q195 PolarHBondContact O-N 2.96Å
196	Q	85.2	Confident	91.5	Very high	193 Å²	193	56.8 Å²	56.8	90%	0.902	32%	0.323	S	S	*	.			trans	-138.7	97.3	175.3	-67.8	-173.5	6.2	0	0	109.2
197	D	90.7	Very high	91.6	Very high	43 Å²	43	59.8 Å²	59.8	23%	0.23	34%	0.335	C	S	.	.			trans	-134.1	110.7	174.8	-172.1	-21.3	0	0	0	109.9	K199 A200 L201 Y214	D197-K199 PolarHBondContact O-N 3.07Å; D197-K199 WeakPolarHBondContact OD1-CB 3.41Å; D197-K199 PolarHBondContact OD1-N 2.89Å; D197-A200 HydrophobicContact CB-CB 4.05Å; D197-A200 WeakPolarHBondContact O-CB 3.36Å; D197-A200 PolarHBondContact O-N 3.42Å; D197-L201 PolarHBondContact O-N 3.07Å; D197-Y214 PolarHBondContact OD1-OH 2.9Å; D197-Y214 WeakPolarHBondContact OD2-CE1 3.28Å; D197-Y214 PolarHBondContact OD2-OH 3.48Å
198	A	92.7	Very high	91.7	Very high	79 Å²	79	56.1 Å²	56.1	65%	0.653	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-31.6	-177.5	0	0	0	0	0	112.7	A200 L201	A198-A200 VanDerWaalsContact C-N 3.34Å; A198-L201 PolarHBondContact O-N 3.2Å
199	K	94.1	Very high	92	Very high	111 Å²	111	57 Å²	57	48%	0.483	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-37.2	178	-63.7	178.6	-177.2	177.4	0	111	D197 L201 N202 Y214 R251	D197-K199 PolarHBondContact O-N 3.07Å; D197-K199 WeakPolarHBondContact OD1-CB 3.41Å; D197-K199 PolarHBondContact OD1-N 2.89Å; K199-L201 PolarHBondContact O-N 2.98Å; K199-N202 PolarHBondContact O-N 3.18Å; K199-Y214 HydrophobicContact CB-CE2 3.9Å; K199-Y214 WeakPolarHBondContact CB-OH 3.39Å; K199-R251 PolarHBondContact O-NH2 3.12Å
200	A	93.4	Very high	92.4	Very high	0 Å²	0	57 Å²	57	0%	0	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-30	178.8	0	0	0	0	0	112.5	D197 A198 N202 Y211 Y214	D197-A200 HydrophobicContact CB-CB 4.05Å; D197-A200 WeakPolarHBondContact O-CB 3.36Å; D197-A200 PolarHBondContact O-N 3.42Å; A198-A200 VanDerWaalsContact C-N 3.34Å; A200-N202 VanDerWaalsContact C-N 3.28Å; A200-N202 PolarHBondContact O-N 3.44Å; A200-Y211 HydrophobicContact CB-CE2 4.37Å; A200-Y214 HydrophobicContact CB-CD1 3.63Å; A200-Y214 HydrophobicContact CB-CE1 3.53Å; A200-Y214 HydrophobicContact CB-CG 4.33Å
201	L	94.1	Very high	92.6	Very high	57 Å²	57	56.8 Å²	56.8	30%	0.298	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-18	-178.2	-57.9	-176	0	0	0	113.9	I186 R187 E190 D197 A198 K199 F203	I186-L201 HydrophobicContact CG2-CD2 4.12Å; R187-L201 HydrophobicContact CG-CD1 4.32Å; R187-L201 HydrophobicContact CG-CD2 3.88Å; E190-L201 HydrophobicContact CB-CD2 4.42Å; E190-L201 HydrophobicContact CG-CD2 4.09Å; D197-L201 PolarHBondContact O-N 3.07Å; A198-L201 PolarHBondContact O-N 3.2Å; K199-L201 PolarHBondContact O-N 2.98Å; L201-F203 PolarHBondContact O-N 3.02Å
202	N	95	Very high	93.1	Very high	71 Å²	71	53.4 Å²	53.4	38%	0.38	30%	0.304	S	S	.	.			trans	-68.5	122.3	175.3	-67	-24.5	0	0	0	109.6	K199 A200 S246 P248 R251	K199-N202 PolarHBondContact O-N 3.18Å; A200-N202 VanDerWaalsContact C-N 3.28Å; A200-N202 PolarHBondContact O-N 3.44Å; N202-S246 WeakPolarHBondContact CB-O 3.3Å; N202-S246 PolarHBondContact ND2-O 3.24Å; N202-P248 HydrophobicContact CB-CG 4.08Å; N202-R251 PolarHBondContact O-NH1 2.87Å; N202-R251 PolarHBondContact O-NH2 3.27Å
203	F	94.9	Very high	93.6	Very high	35 Å²	35	52.6 Å²	52.6	15%	0.154	30%	0.3	C	S	.	.			trans	-137.2	139.1	-175.9	178.4	-104.8	0	0	0	110.8	M181 A183 I186 L201 P205	M181-F203 HydrophobicContact CB-CE1 4.42Å; M181-F203 HydrophobicContact CB-CE2 4.14Å; M181-F203 HydrophobicContact CB-CZ 3.61Å; A183-F203 HydrophobicContact CB-CB 4.27Å; I186-F203 HydrophobicContact CD1-CB 3.63Å; I186-F203 HydrophobicContact CD1-CD2 3.3Å; I186-F203 HydrophobicContact CD1-CE2 4.09Å; I186-F203 HydrophobicContact CD1-CG 3.58Å; L201-F203 PolarHBondContact O-N 3.02Å; F203-P205 HydrophobicContact CE1-CB 4.4Å; F203-P205 HydrophobicContact CE1-CG 3.91Å
204	D	94.8	Very high	94.1	Very high	51 Å²	51	50.6 Å²	50.6	27%	0.273	29%	0.291	S	S	.	.			trans	-133.2	122	173.2	-178.3	-19.3	0	0	0	107.7	A206 Y207 P248	D204-A206 PolarHBondContact O-N 3.32Å; D204-A206 VanDerWaalsContact O-N 3.16Å; D204-A206 WeakPolarHBondContact OD1-CB 3.41Å; D204-A206 PolarHBondContact OD1-N 3.12Å; D204-Y207 HydrophobicContact CB-CD2 4Å; D204-Y207 CarbonylContact O-C 3.59Å; D204-Y207 VanDerWaalsContact O-C 3.26Å; D204-Y207 WeakPolarHBondContact O-CA 3.25Å; D204-Y207 PolarHBondContact O-N 3.19Å; D204-Y207 WeakPolarHBondContact OD2-CD2 3.47Å; D204-P248 HydrophobicContact CB-CB 3.91Å; D204-P248 HydrophobicContact CB-CG 4.14Å
205	P	94	Very high	94.6	Very high	93 Å²	93	47.5 Å²	47.5	60%	0.604	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-55.1	-28	177.6	-24.3	32.9	0	0	0	114.4	F203 Y207	F203-P205 HydrophobicContact CE1-CB 4.4Å; F203-P205 HydrophobicContact CE1-CG 3.91Å; P205-Y207 PolarHBondContact O-N 2.78Å
206	A	94.1	Very high	95	Very high	75 Å²	75	43.4 Å²	43.4	62%	0.62	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-66.5	-22.1	175.5	0	0	0	0	0	112.6	D204	D204-A206 PolarHBondContact O-N 3.32Å; D204-A206 VanDerWaalsContact O-N 3.16Å; D204-A206 WeakPolarHBondContact OD1-CB 3.41Å; D204-A206 PolarHBondContact OD1-N 3.12Å
207	Y	95.2	Very high	95.6	Very high	63 Å²	63	34.2 Å²	34.2	25%	0.247	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-123.3	50.1	179.8	-54.2	-74	0	0	0	110.3	D204 P205 F209 C210 K249	D204-Y207 HydrophobicContact CB-CD2 4Å; D204-Y207 CarbonylContact O-C 3.59Å; D204-Y207 VanDerWaalsContact O-C 3.26Å; D204-Y207 WeakPolarHBondContact O-CA 3.25Å; D204-Y207 PolarHBondContact O-N 3.19Å; D204-Y207 WeakPolarHBondContact OD2-CD2 3.47Å; P205-Y207 PolarHBondContact O-N 2.78Å; Y207-F209 HydrophobicContact CD1-CE1 4.24Å; Y207-F209 HydrophobicContact CD1-CZ 4.11Å; Y207-F209 PolarHBondContact O-N 3.32Å; Y207-C210 WeakPolarHBondContact O-CB 3.32Å; Y207-C210 PolarHBondContact O-N 2.68Å; Y207-C210 PolarHBondContact O-SG 3.36Å; Y207-K249 HydrophobicContact CD2-CB 3.9Å; Y207-K249 HydrophobicContact CD2-CG 4.47Å; Y207-K249 HydrophobicContact CE1-CB 4.38Å; Y207-K249 HydrophobicContact CE1-CG 4.01Å; Y207-K249 HydrophobicContact CE2-CB 3.49Å; Y207-K249 VanDerWaalsContact CE2-CB 3.49Å; Y207-K249 HydrophobicContact CE2-CD 3.99Å; Y207-K249 HydrophobicContact CE2-CG 3.67Å; Y207-K249 VanDerWaalsContact CZ-CG 3.42Å; Y207-K249 VanDerWaalsContact OH-CD 3.27Å; Y207-K249 WeakPolarHBondContact OH-CD 3.34Å; Y207-K249 VanDerWaalsContact OH-CE 3.25Å; Y207-K249 WeakPolarHBondContact OH-CE 3.41Å; Y207-K249 WeakPolarHBondContact OH-CG 3.39Å
208	A	94.6	Very high	95.8	Very high	5 Å²	5	34 Å²	34	4%	0.041	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-22.8	-171.7	0	0	0	0	0	115.2	F178 C210	F178-A208 HydrophobicContact CB-CB 3.62Å; F178-A208 HydrophobicContact CD1-CB 3.5Å; F178-A208 VanDerWaalsContact CD1-CB 3.5Å; F178-A208 HydrophobicContact CD2-CB 4.06Å; F178-A208 HydrophobicContact CE1-CB 4.07Å; F178-A208 HydrophobicContact CG-CB 3.47Å; F178-A208 VanDerWaalsContact CG-CB 3.47Å; A208-C210 PolarHBondContact O-N 2.85Å
209	F	96.2	Very high	95.9	Very high	32 Å²	32	30.6 Å²	30.6	14%	0.14	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-13.5	174	62.3	-99.4	0	0	0	114.1	H144 F178 Y207 Y211 D212 I213 R251 P253	H144-F209 HydrophobicContact CB-CB 4.48Å; F178-F209 HydrophobicContact CZ-CB 3.99Å; Y207-F209 HydrophobicContact CD1-CE1 4.24Å; Y207-F209 HydrophobicContact CD1-CZ 4.11Å; Y207-F209 PolarHBondContact O-N 3.32Å; F209-Y211 VanDerWaalsContact C-N 3.27Å; F209-Y211 PolarHBondContact O-N 3.28Å; F209-D212 PolarHBondContact O-N 2.77Å; F209-I213 HydrophobicContact CD2-CG1 3.76Å; F209-I213 HydrophobicContact CE2-CG1 4.48Å; F209-I213 PolarHBondContact O-N 3.3Å; F209-I213 VanDerWaalsContact O-N 3.15Å; F209-R251 WeakPolarHBondContact CE2-O 3.32Å; F209-P253 HydrophobicContact CD1-CB 4.42Å; F209-P253 HydrophobicContact CD2-CB 4.13Å; F209-P253 HydrophobicContact CE1-CB 4.06Å; F209-P253 HydrophobicContact CE2-CB 3.74Å; F209-P253 HydrophobicContact CE2-CG 4.49Å; F209-P253 HydrophobicContact CG-CB 4.46Å; F209-P253 HydrophobicContact CZ-CB 3.71Å; F209-P253 HydrophobicContact CZ-CG 4.21Å
210	C	97.4	Very high	95.9	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.7	-30.1	-165.8	68	0	0	0	0	113.9	Y207 A208 Y214 P248 R251	Y207-C210 WeakPolarHBondContact O-CB 3.32Å; Y207-C210 PolarHBondContact O-N 2.68Å; Y207-C210 PolarHBondContact O-SG 3.36Å; A208-C210 PolarHBondContact O-N 2.85Å; C210-Y214 WeakPolarHBondContact O-CB 3.32Å; C210-Y214 PolarHBondContact O-N 2.91Å; C210-P248 HydrophobicContact CB-CB 4.04Å; C210-R251 HydrophobicContact CB-CB 4.43Å; C210-R251 VanDerWaalsContact O-CD 3.29Å; C210-R251 WeakPolarHBondContact O-CD 3.49Å; C210-R251 PolarHBondContact O-NH1 3.46Å
211	Y	97.5	Very high	95.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-75.1	-42.1	179.5	179	-112.4	0	0	0	112	N152 I186 I189 E190 A200 F209 I213 Y214 C215	N152-Y211 HydrophobicContact CB-CE1 4.45Å; I186-Y211 HydrophobicContact CD1-CD2 4.36Å; I186-Y211 HydrophobicContact CD1-CG 4.08Å; I186-Y211 HydrophobicContact CG1-CD1 4.14Å; I186-Y211 HydrophobicContact CG1-CD2 4.19Å; I186-Y211 HydrophobicContact CG1-CG 3.92Å; I186-Y211 HydrophobicContact CG2-CD2 3.61Å; I186-Y211 HydrophobicContact CG2-CE2 3.6Å; I186-Y211 HydrophobicContact CG2-CG 4.22Å; I189-Y211 HydrophobicContact CG2-CE1 4.12Å; I189-Y211 WeakPolarHBondContact CG2-OH 3.45Å; E190-Y211 HydrophobicContact CG-CE2 4.11Å; E190-Y211 WeakPolarHBondContact OE1-CE2 3.37Å; E190-Y211 PolarHBondContact OE1-OH 2.91Å; A200-Y211 HydrophobicContact CB-CE2 4.37Å; F209-Y211 VanDerWaalsContact C-N 3.27Å; F209-Y211 PolarHBondContact O-N 3.28Å; Y211-I213 VanDerWaalsContact C-N 3.34Å; Y211-I213 PolarHBondContact O-N 3.26Å; Y211-Y214 WeakPolarHBondContact O-CB 3.4Å; Y211-Y214 PolarHBondContact O-N 2.93Å; Y211-C215 VanDerWaalsContact CE2-SG 3.52Å; Y211-C215 WeakPolarHBondContact O-CB 3.42Å; Y211-C215 PolarHBondContact O-N 2.72Å; Y211-C215 PolarHBondContact O-SG 3.08Å; Y211-C215 VanDerWaalsContact O-SG 3.4Å
212	D	98.2	Very high	95.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-60.5	-45.4	173.8	-83	-15.2	0	0	0	111.5	L140 H144 S150 H151 N152 M154 F209 Y214 C215 F216	L140-D212 HydrophobicContact CD2-CB 4.13Å; H144-D212 IonicContact CD2-OD2 3.49Å; H144-D212 IonicContact CE1-OD2 3.94Å; H144-D212 IonicContact NE2-OD2 2.62Å; H144-D212 PolarHBondContact NE2-OD2 3.02Å; S150-D212 WeakPolarHBondContact CA-OD2 3.39Å; S150-D212 PolarHBondContact OG-OD2 2.94Å; H151-D212 PolarHBondContact N-OD1 3.39Å; H151-D212 PolarHBondContact N-OD2 3.17Å; N152-D212 WeakPolarHBondContact CA-OD1 3.3Å; N152-D212 PolarHBondContact N-OD1 2.88Å; M154-D212 HydrophobicContact CG-CB 4.44Å; F209-D212 PolarHBondContact O-N 2.77Å; D212-Y214 VanDerWaalsContact C-N 3.34Å; D212-Y214 PolarHBondContact O-N 3.23Å; D212-C215 PolarHBondContact O-N 2.94Å; D212-F216 VanDerWaalsContact O-CB 3.26Å; D212-F216 WeakPolarHBondContact O-CB 3.29Å; D212-F216 PolarHBondContact O-N 3.21Å
213	I	98.5	Very high	95.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-62.3	-42	177.5	-66.4	-56.4	0	0	0	111.1	L140 F209 Y211 S217 C243 R251 I252 L257	L140-I213 HydrophobicContact CD1-CD1 4.35Å; F209-I213 HydrophobicContact CD2-CG1 3.76Å; F209-I213 HydrophobicContact CE2-CG1 4.48Å; F209-I213 PolarHBondContact O-N 3.3Å; F209-I213 VanDerWaalsContact O-N 3.15Å; Y211-I213 VanDerWaalsContact C-N 3.34Å; Y211-I213 PolarHBondContact O-N 3.26Å; I213-S217 VanDerWaalsContact O-CB 3.29Å; I213-S217 WeakPolarHBondContact O-CB 3.29Å; I213-S217 PolarHBondContact O-N 2.9Å; I213-S217 PolarHBondContact O-OG 3.39Å; I213-C243 HydrophobicContact CG2-CB 3.66Å; I213-R251 HydrophobicContact CG2-CB 4.28Å; I213-I252 VanDerWaalsContact CG2-O 3.32Å; I213-I252 WeakPolarHBondContact CG2-O 3.42Å; I213-L257 HydrophobicContact CD1-CD1 4.22Å; I213-L257 HydrophobicContact CG2-CD1 4.4Å
214	Y	98.4	Very high	94.8	Very high	3 Å²	3	24.5 Å²	24.5	1%	0.012	15%	0.147	C	C	.	.	H	α-helix	trans	-59.9	-50.3	175.2	-169.1	-82.6	0	0	0	111.3	D197 K199 A200 C210 Y211 D212 S217 R218 M244	D197-Y214 PolarHBondContact OD1-OH 2.9Å; D197-Y214 WeakPolarHBondContact OD2-CE1 3.28Å; D197-Y214 PolarHBondContact OD2-OH 3.48Å; K199-Y214 HydrophobicContact CB-CE2 3.9Å; K199-Y214 WeakPolarHBondContact CB-OH 3.39Å; A200-Y214 HydrophobicContact CB-CD1 3.63Å; A200-Y214 HydrophobicContact CB-CE1 3.53Å; A200-Y214 HydrophobicContact CB-CG 4.33Å; C210-Y214 WeakPolarHBondContact O-CB 3.32Å; C210-Y214 PolarHBondContact O-N 2.91Å; Y211-Y214 WeakPolarHBondContact O-CB 3.4Å; Y211-Y214 PolarHBondContact O-N 2.93Å; D212-Y214 VanDerWaalsContact C-N 3.34Å; D212-Y214 PolarHBondContact O-N 3.23Å; Y214-S217 PolarHBondContact O-N 3.48Å; Y214-R218 WeakPolarHBondContact O-CB 2.84Å; Y214-R218 PolarHBondContact O-N 2.86Å; Y214-M244 HydrophobicContact CD2-CB 4.41Å; Y214-M244 HydrophobicContact CE2-CB 3.99Å; Y214-M244 HydrophobicContact CE2-CG 4.49Å; Y214-M244 WeakPolarHBondContact CE2-O 3.18Å
215	C	98	Very high	93.7	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.007	17%	0.168	C	C	.	.	H	α-helix	trans	-64.8	-41.9	-178.9	-72.8	0	0	0	0	112.7	M154 Y211 D212 S217 R218 M219	M154-C215 HydrophobicContact CB-CB 3.65Å; Y211-C215 VanDerWaalsContact CE2-SG 3.52Å; Y211-C215 WeakPolarHBondContact O-CB 3.42Å; Y211-C215 PolarHBondContact O-N 2.72Å; Y211-C215 PolarHBondContact O-SG 3.08Å; Y211-C215 VanDerWaalsContact O-SG 3.4Å; D212-C215 PolarHBondContact O-N 2.94Å; C215-S217 VanDerWaalsContact C-N 3.35Å; C215-R218 PolarHBondContact SG-NH2 3.12Å; C215-R218 VanDerWaalsContact SG-NH2 3.36Å; C215-M219 VanDerWaalsContact O-CB 3.31Å; C215-M219 WeakPolarHBondContact O-CB 3.45Å; C215-M219 PolarHBondContact O-N 3.1Å
216	F	98.3	Very high	92.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-56	-50.8	172	167.4	-98.9	0	0	0	110.7	L136 L137 L140 M154 D212 M219 I220 L239	L136-F216 HydrophobicContact CB-CD2 4.18Å; L136-F216 HydrophobicContact CB-CE2 3.85Å; L136-F216 HydrophobicContact CD1-CD2 4.38Å; L136-F216 HydrophobicContact CD1-CE2 4.24Å; L137-F216 HydrophobicContact CD1-CE1 4.04Å; L137-F216 HydrophobicContact CD1-CZ 3.87Å; L137-F216 HydrophobicContact CD2-CD1 4.04Å; L137-F216 HydrophobicContact CD2-CE1 3.67Å; L137-F216 HydrophobicContact CD2-CE2 4.49Å; L137-F216 HydrophobicContact CD2-CZ 3.92Å; L137-F216 HydrophobicContact CG-CE1 3.8Å; L137-F216 HydrophobicContact CG-CE2 4.11Å; L137-F216 HydrophobicContact CG-CZ 3.54Å; L140-F216 HydrophobicContact CD1-CB 4.07Å; L140-F216 HydrophobicContact CD1-CD2 4.43Å; L140-F216 HydrophobicContact CD1-CG 4.27Å; M154-F216 HydrophobicContact CE-CB 4.01Å; M154-F216 HydrophobicContact CE-CD2 3.81Å; M154-F216 HydrophobicContact CE-CG 4.39Å; D212-F216 VanDerWaalsContact O-CB 3.26Å; D212-F216 WeakPolarHBondContact O-CB 3.29Å; D212-F216 PolarHBondContact O-N 3.21Å; F216-M219 HydrophobicContact CD2-CE 4.28Å; F216-M219 PolarHBondContact O-N 3.07Å; F216-I220 HydrophobicContact CD2-CG1 3.96Å; F216-I220 HydrophobicContact CE1-CG1 4.18Å; F216-I220 HydrophobicContact CE2-CD1 4.02Å; F216-I220 HydrophobicContact CE2-CG1 3.52Å; F216-I220 HydrophobicContact CG-CG1 4.46Å; F216-I220 HydrophobicContact CZ-CD1 4.41Å; F216-I220 HydrophobicContact CZ-CG1 3.65Å; F216-I220 WeakPolarHBondContact O-CG1 3.4Å; F216-I220 PolarHBondContact O-N 3.3Å; F216-L239 HydrophobicContact CD1-CD2 4.38Å; F216-L239 HydrophobicContact CE1-CD1 4.38Å; F216-L239 HydrophobicContact CE1-CD2 3.97Å
217	S	97.4	Very high	90.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-63.7	-46.6	-177	-56.5	0	0	0	0	111.8	I213 Y214 C215 M219 I220 C221 C243	I213-S217 VanDerWaalsContact O-CB 3.29Å; I213-S217 WeakPolarHBondContact O-CB 3.29Å; I213-S217 PolarHBondContact O-N 2.9Å; I213-S217 PolarHBondContact O-OG 3.39Å; Y214-S217 PolarHBondContact O-N 3.48Å; C215-S217 VanDerWaalsContact C-N 3.35Å; S217-M219 VanDerWaalsContact C-N 3.32Å; S217-M219 PolarHBondContact O-N 3.24Å; S217-I220 PolarHBondContact O-N 3.03Å; S217-C221 WeakPolarHBondContact O-CB 3.28Å; S217-C221 PolarHBondContact O-N 3.14Å; S217-C221 PolarHBondContact O-SG 3.49Å; S217-C243 WeakPolarHBondContact OG-CB 3.36Å
218	R	95.3	Very high	89.2	Confident	38 Å²	38	30.4 Å²	30.4	14%	0.143	19%	0.185	C	C	.	.	H	α-helix	trans	-54.8	-48	174.2	176.4	175.5	62.3	-173.5	-7.1	111.3	E190 Y214 C215 S222 M244	E190-R218 IonicContact OE1-CZ 3.82Å; E190-R218 IonicContact OE1-NH1 2.76Å; E190-R218 IonicContact OE1-NH2 2.8Å; E190-R218 PolarHBondContact OE1-NH2 3.39Å; E190-R218 IonicContact OE2-CZ 2.93Å; E190-R218 IonicContact OE2-NH1 3.36Å; E190-R218 PolarHBondContact OE2-NH1 2.96Å; E190-R218 IonicContact OE2-NH2 2.61Å; Y214-R218 WeakPolarHBondContact O-CB 2.84Å; Y214-R218 PolarHBondContact O-N 2.86Å; C215-R218 PolarHBondContact SG-NH2 3.12Å; C215-R218 VanDerWaalsContact SG-NH2 3.36Å; R218-S222 WeakPolarHBondContact O-CB 3.2Å; R218-S222 PolarHBondContact O-N 3.28Å; R218-S222 PolarHBondContact O-OG 3Å; R218-M244 HydrophobicContact CB-CE 4.14Å; R218-M244 HydrophobicContact CB-SD 4.45Å
219	M	94.9	Very high	87.9	Confident	8 Å²	8	38.4 Å²	38.4	4%	0.039	22%	0.221	C	C	.	.	H	α-helix	trans	-64.6	-49.3	-179.8	175.7	-168.4	74.5	0	0	112	L136 M154 G155 T156 I159 C215 F216 S217 C221 S222 L223	L136-M219 HydrophobicContact CD1-CE 3.56Å; M154-M219 HydrophobicContact CE-CE 4.32Å; G155-M219 WeakPolarHBondContact CA-SD 3.25Å; T156-M219 HydrophobicContact CG2-CG 4.04Å; T156-M219 HydrophobicContact CG2-SD 4.5Å; I159-M219 HydrophobicContact CD1-CE 3.67Å; I159-M219 HydrophobicContact CD1-SD 3.51Å; I159-M219 VanDerWaalsContact CD1-SD 3.51Å; I159-M219 HydrophobicContact CG1-SD 4.48Å; C215-M219 VanDerWaalsContact O-CB 3.31Å; C215-M219 WeakPolarHBondContact O-CB 3.45Å; C215-M219 PolarHBondContact O-N 3.1Å; F216-M219 HydrophobicContact CD2-CE 4.28Å; F216-M219 PolarHBondContact O-N 3.07Å; S217-M219 VanDerWaalsContact C-N 3.32Å; S217-M219 PolarHBondContact O-N 3.24Å; M219-C221 VanDerWaalsContact C-N 3.32Å; M219-C221 PolarHBondContact O-N 2.94Å; M219-S222 PolarHBondContact O-N 3.05Å; M219-S222 VanDerWaalsContact O-N 3.13Å; M219-S222 PolarHBondContact O-OG 3.26Å; M219-L223 HydrophobicContact CG-CD1 4.39Å; M219-L223 WeakPolarHBondContact O-CG 3.2Å; M219-L223 PolarHBondContact O-N 3.03Å
220	I	94	Very high	86.7	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-62.2	-41.6	-180	-68.2	-57.3	0	0	0	111	S133 W167 F216 S217 S222 L223 F232 L239	S133-I220 WeakPolarHBondContact OG-CD1 3.28Å; W167-I220 HydrophobicContact CZ3-CD1 4.09Å; F216-I220 HydrophobicContact CD2-CG1 3.96Å; F216-I220 HydrophobicContact CE1-CG1 4.18Å; F216-I220 HydrophobicContact CE2-CD1 4.02Å; F216-I220 HydrophobicContact CE2-CG1 3.52Å; F216-I220 HydrophobicContact CG-CG1 4.46Å; F216-I220 HydrophobicContact CZ-CD1 4.41Å; F216-I220 HydrophobicContact CZ-CG1 3.65Å; F216-I220 WeakPolarHBondContact O-CG1 3.4Å; F216-I220 PolarHBondContact O-N 3.3Å; S217-I220 PolarHBondContact O-N 3.03Å; I220-S222 VanDerWaalsContact C-N 3.29Å; I220-S222 PolarHBondContact O-N 3.06Å; I220-L223 PolarHBondContact O-N 3.18Å; I220-F232 HydrophobicContact CG2-CE2 4Å; I220-F232 HydrophobicContact CG2-CZ 3.45Å; I220-F232 VanDerWaalsContact CG2-CZ 3.45Å; I220-L239 HydrophobicContact CB-CD1 4.16Å; I220-L239 HydrophobicContact CG2-CD1 3.76Å
221	C	91.9	Very high	85.4	Confident	12 Å²	12	42.1 Å²	42.1	8%	0.081	25%	0.253	C	S	.	.	H	α-helix	trans	-68	-27	176.5	-62.7	0	0	0	0	112.9	S217 M219 L223 T224 M244	S217-C221 WeakPolarHBondContact O-CB 3.28Å; S217-C221 PolarHBondContact O-N 3.14Å; S217-C221 PolarHBondContact O-SG 3.49Å; M219-C221 VanDerWaalsContact C-N 3.32Å; M219-C221 PolarHBondContact O-N 2.94Å; C221-L223 VanDerWaalsContact C-N 3.33Å; C221-T224 VanDerWaalsContact O-CG2 3.26Å; C221-T224 WeakPolarHBondContact O-CG2 3.43Å; C221-M244 HydrophobicContact CB-SD 4.45Å
222	S	90.1	Very high	84.6	Confident	88 Å²	88	42.5 Å²	42.5	62%	0.615	26%	0.255	S	S	*	.	H	α-helix	trans	-76.2	-19.7	175.2	72.3	0	0	0	0	114.1	R218 M219 I220	R218-S222 WeakPolarHBondContact O-CB 3.2Å; R218-S222 PolarHBondContact O-N 3.28Å; R218-S222 PolarHBondContact O-OG 3Å; M219-S222 PolarHBondContact O-N 3.05Å; M219-S222 VanDerWaalsContact O-N 3.13Å; M219-S222 PolarHBondContact O-OG 3.26Å; I220-S222 VanDerWaalsContact C-N 3.29Å; I220-S222 PolarHBondContact O-N 3.06Å
223	L	89.4	Confident	84	Confident	30 Å²	30	46.1 Å²	46.1	16%	0.157	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-1.8	179.8	-67.2	172.8	0	0	0	113.1	F117 P124 L129 T156 W167 M219 I220 C221	F117-L223 HydrophobicContact CE1-CD1 4.19Å; F117-L223 HydrophobicContact CE1-CD2 4.03Å; F117-L223 HydrophobicContact CZ-CD1 3.95Å; F117-L223 HydrophobicContact CZ-CD2 4.25Å; P124-L223 HydrophobicContact CG-CB 4.28Å; L129-L223 HydrophobicContact CD2-CB 3.76Å; L129-L223 HydrophobicContact CD2-CD1 4.31Å; T156-L223 HydrophobicContact CG2-CD1 4.25Å; T156-L223 HydrophobicContact CG2-CD2 4.04Å; T156-L223 HydrophobicContact CG2-CG 4.41Å; W167-L223 HydrophobicContact CH2-CD1 4.06Å; W167-L223 HydrophobicContact CZ3-CD1 4.37Å; M219-L223 HydrophobicContact CG-CD1 4.39Å; M219-L223 WeakPolarHBondContact O-CG 3.2Å; M219-L223 PolarHBondContact O-N 3.03Å; I220-L223 PolarHBondContact O-N 3.18Å; C221-L223 VanDerWaalsContact C-N 3.33Å
224	T	81.8	Confident	83.5	Confident	16 Å²	16	50.2 Å²	50.2	10%	0.098	29%	0.288	C	S	.	.	S	Bend	trans	-112.6	138.1	-179	-176.5	0	0	0	0	110.4	C221 I226 F232	C221-T224 VanDerWaalsContact O-CG2 3.26Å; C221-T224 WeakPolarHBondContact O-CG2 3.43Å; T224-I226 HydrophobicContact CG2-CG1 3.85Å; T224-I226 PolarHBondContact O-N 2.99Å; T224-F232 HydrophobicContact CG2-CE1 3.88Å
225	D	72.3	Confident	83.2	Confident	135 Å²	135	50 Å²	50	72%	0.722	29%	0.287	S	S	*	.			trans	-73.1	99	163	-69.9	-32.3	0	0	0	107.5	G227	D225-G227 VanDerWaalsContact C-N 3.31Å; D225-G227 PolarHBondContact O-N 3.38Å
226	I	62.4	Low	82.9	Confident	108 Å²	108	50.3 Å²	50.3	55%	0.554	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	90.3	-179.7	-54	169.5	0	0	0	107.6	T224 I240	T224-I226 HydrophobicContact CG2-CG1 3.85Å; T224-I226 PolarHBondContact O-N 2.99Å; I226-I240 HydrophobicContact CD1-CD1 4.34Å
227	G	62.3	Low	82.6	Confident	65 Å²	65	52.2 Å²	52.2	67%	0.67	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	177.4	-14.3	-179.4	0	0	0	0	0	115.5	D225	D225-G227 VanDerWaalsContact C-N 3.31Å; D225-G227 PolarHBondContact O-N 3.38Å
228	V	63.4	Low	82.4	Confident	98 Å²	98	52.2 Å²	52.2	59%	0.594	30%	0.298	S	S	*	.			trans	-96.3	119.1	178.8	-174.2	0	0	0	0	110.2
229	E	67.9	Low	82.4	Confident	173 Å²	173	50.4 Å²	50.4	81%	0.808	29%	0.292	S	S	*	.			trans	-62.5	137.3	171.5	-68.7	-168.6	164.3	0	0	111.1
230	G	71	Confident	82.4	Confident	26 Å²	26	52.8 Å²	52.8	27%	0.268	30%	0.304	S	S	.	.	S	Bend	trans	167.8	-178.8	178.3	0	0	0	0	0	113.6	F232 Y233	G230-F232 PolarHBondContact O-N 3.4Å; G230-F232 VanDerWaalsContact O-N 3.13Å; G230-Y233 VanDerWaalsContact O-CB 3.27Å; G230-Y233 WeakPolarHBondContact O-CB 3.02Å; G230-Y233 PolarHBondContact O-N 2.9Å
231	P	69.9	Low	82.4	Confident	84 Å²	84	54.9 Å²	54.9	55%	0.545	32%	0.315	S	S	.	.	H	α-helix	trans	-56.9	-32.4	-179	-25.8	34.3	0	0	0	113.6	S262	P231-S262 WeakPolarHBondContact O-CB 3.47Å; P231-S262 PolarHBondContact O-OG 3.24Å
232	F	82.2	Confident	82.6	Confident	7 Å²	7	54.3 Å²	54.3	3%	0.031	31%	0.311	C	S	.	.	H	α-helix	trans	-75.5	-32	177.6	-171.6	-94.7	0	0	0	112.6	M126 L129 L130 I220 T224 G230 H234 L235 A236	M126-F232 HydrophobicContact SD-CB 4.18Å; M126-F232 HydrophobicContact SD-CD1 3.79Å; M126-F232 HydrophobicContact SD-CE1 4.5Å; M126-F232 HydrophobicContact SD-CG 4.14Å; L129-F232 HydrophobicContact CB-CD2 4.15Å; L129-F232 HydrophobicContact CB-CE2 3.72Å; L129-F232 HydrophobicContact CB-CZ 4Å; L129-F232 HydrophobicContact CD1-CE1 4.14Å; L129-F232 HydrophobicContact CD1-CZ 4.1Å; L129-F232 HydrophobicContact CG-CZ 4.49Å; L130-F232 HydrophobicContact CB-CD2 4.41Å; L130-F232 HydrophobicContact CD1-CD2 4.44Å; I220-F232 HydrophobicContact CG2-CE2 4Å; I220-F232 HydrophobicContact CG2-CZ 3.45Å; I220-F232 VanDerWaalsContact CG2-CZ 3.45Å; T224-F232 HydrophobicContact CG2-CE1 3.88Å; G230-F232 PolarHBondContact O-N 3.4Å; G230-F232 VanDerWaalsContact O-N 3.13Å; F232-H234 VanDerWaalsContact C-N 3.31Å; F232-H234 PolarHBondContact O-N 3.26Å; F232-L235 HydrophobicContact CD2-CD2 4.38Å; F232-L235 HydrophobicContact CE2-CD2 4.3Å; F232-L235 WeakPolarHBondContact O-CB 3.46Å; F232-L235 PolarHBondContact O-N 3.49Å; F232-L235 VanDerWaalsContact O-N 3.11Å; F232-A236 HydrophobicContact CD1-CB 4.38Å; F232-A236 HydrophobicContact CE1-CB 4.18Å; F232-A236 WeakPolarHBondContact O-CB 3.39Å; F232-A236 PolarHBondContact O-N 3.46Å
233	Y	84.9	Confident	82.9	Confident	77 Å²	77	50.1 Å²	50.1	30%	0.302	28%	0.282	S	S	.	.	H	α-helix	trans	-55.5	-45.3	176.4	172.9	-98.6	0	0	0	112	G230 L235 A236 Q237	G230-Y233 VanDerWaalsContact O-CB 3.27Å; G230-Y233 WeakPolarHBondContact O-CB 3.02Å; G230-Y233 PolarHBondContact O-N 2.9Å; Y233-L235 VanDerWaalsContact C-N 3.34Å; Y233-L235 PolarHBondContact O-N 2.81Å; Y233-A236 PolarHBondContact O-N 3.28Å; Y233-Q237 PolarHBondContact O-N 2.85Å
234	H	87.9	Confident	83.2	Confident	85 Å²	85	50.5 Å²	50.5	39%	0.394	28%	0.283	S	S	.	.	H	α-helix	trans	-61.4	-42.1	177.4	-62.6	-57.1	0	0	0	112.5	F232 Q237 V238 P516	F232-H234 VanDerWaalsContact C-N 3.31Å; F232-H234 PolarHBondContact O-N 3.26Å; H234-Q237 PolarHBondContact O-N 3.05Å; H234-V238 WeakPolarHBondContact O-CG2 3.43Å; H234-V238 PolarHBondContact O-N 2.94Å; H234-P516 HydrophobicContact CB-CG 4.34Å; H234-P516 WeakPolarHBondContact ND1-CG 3.19Å
235	L	92	Very high	83.9	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-64.5	-47.4	175.3	177.4	63.4	0	0	0	110.6	L130 F232 Y233 Q237 V238 L239 H260 F263	L130-L235 HydrophobicContact CD1-CD2 4.24Å; F232-L235 HydrophobicContact CD2-CD2 4.38Å; F232-L235 HydrophobicContact CE2-CD2 4.3Å; F232-L235 WeakPolarHBondContact O-CB 3.46Å; F232-L235 PolarHBondContact O-N 3.49Å; F232-L235 VanDerWaalsContact O-N 3.11Å; Y233-L235 VanDerWaalsContact C-N 3.34Å; Y233-L235 PolarHBondContact O-N 2.81Å; L235-Q237 VanDerWaalsContact C-N 3.27Å; L235-Q237 PolarHBondContact O-N 3.25Å; L235-V238 WeakPolarHBondContact O-CB 3.42Å; L235-V238 PolarHBondContact O-N 2.81Å; L235-V238 VanDerWaalsContact O-N 3.12Å; L235-L239 HydrophobicContact CD1-CG 4.38Å; L235-L239 HydrophobicContact CG-CD1 4.25Å; L235-L239 HydrophobicContact CG-CG 4.37Å; L235-L239 WeakPolarHBondContact O-CG 3.45Å; L235-L239 PolarHBondContact O-N 3.11Å; L235-H260 HydrophobicContact CD1-CB 4.28Å; L235-F263 HydrophobicContact CD1-CE2 4.33Å; L235-F263 HydrophobicContact CD1-CZ 4.41Å; L235-F263 HydrophobicContact CD2-CE1 4.09Å; L235-F263 HydrophobicContact CD2-CE2 4.27Å; L235-F263 HydrophobicContact CD2-CZ 3.59Å
236	A	91.6	Very high	85	Confident	6 Å²	6	47.6 Å²	47.6	5%	0.05	27%	0.27	C	S	.	.	H	α-helix	trans	-56.6	-41.9	179.1	0	0	0	0	0	111.6	F232 Y233 V238 L239 I240	F232-A236 HydrophobicContact CD1-CB 4.38Å; F232-A236 HydrophobicContact CE1-CB 4.18Å; F232-A236 WeakPolarHBondContact O-CB 3.39Å; F232-A236 PolarHBondContact O-N 3.46Å; Y233-A236 PolarHBondContact O-N 3.28Å; A236-V238 PolarHBondContact O-N 2.91Å; A236-L239 WeakPolarHBondContact O-CB 3.37Å; A236-L239 PolarHBondContact O-N 3.08Å; A236-I240 VanDerWaalsContact O-CG1 3.27Å; A236-I240 WeakPolarHBondContact O-CG1 3.47Å; A236-I240 PolarHBondContact O-N 2.63Å
237	Q	91.4	Very high	86.5	Confident	40 Å²	40	45.6 Å²	45.6	19%	0.187	26%	0.26	C	S	.	.	H	α-helix	trans	-64.2	-40.2	177.9	-164.1	62.7	56.3	0	0	112.5	Y233 H234 L235 L239 I240 N241 P516	Y233-Q237 PolarHBondContact O-N 2.85Å; H234-Q237 PolarHBondContact O-N 3.05Å; L235-Q237 VanDerWaalsContact C-N 3.27Å; L235-Q237 PolarHBondContact O-N 3.25Å; Q237-L239 VanDerWaalsContact C-N 3.34Å; Q237-I240 PolarHBondContact O-N 3.09Å; Q237-N241 VanDerWaalsContact NE2-CG 3.31Å; Q237-N241 PolarHBondContact NE2-ND2 2.57Å; Q237-N241 PolarHBondContact NE2-OD1 3.41Å; Q237-N241 WeakPolarHBondContact O-CB 3.41Å; Q237-N241 VanDerWaalsContact O-CG 3.31Å; Q237-N241 PolarHBondContact O-N 3.31Å; Q237-P516 HydrophobicContact CB-CB 4.11Å; Q237-P516 HydrophobicContact CG-CB 3.91Å; Q237-P516 WeakPolarHBondContact CG-O 3.44Å
238	V	94.5	Very high	88.1	Confident	1 Å²	1	43 Å²	43	1%	0.006	23%	0.231	C	C	.	.	H	α-helix	trans	-63.3	-41.4	173.8	173	0	0	0	0	111.1	H234 L235 A236 S242 C243 I252 L257 F514	H234-V238 WeakPolarHBondContact O-CG2 3.43Å; H234-V238 PolarHBondContact O-N 2.94Å; L235-V238 WeakPolarHBondContact O-CB 3.42Å; L235-V238 PolarHBondContact O-N 2.81Å; L235-V238 VanDerWaalsContact O-N 3.12Å; A236-V238 PolarHBondContact O-N 2.91Å; V238-S242 WeakPolarHBondContact O-CB 3.29Å; V238-S242 PolarHBondContact O-N 3.49Å; V238-C243 PolarHBondContact O-N 3.05Å; V238-I252 HydrophobicContact CG1-CD1 3.47Å; V238-I252 VanDerWaalsContact CG1-CD1 3.47Å; V238-L257 HydrophobicContact CG1-CD2 4.27Å; V238-F514 HydrophobicContact CG1-CD1 4.47Å
239	L	95.7	Very high	89.6	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.216	C	C	.	.	I	π-helix	trans	-62.2	-45.2	176.7	-65.1	178.9	0	0	0	111.5	F216 I220 L235 A236 Q237 C243 M244 L257	F216-L239 HydrophobicContact CD1-CD2 4.38Å; F216-L239 HydrophobicContact CE1-CD1 4.38Å; F216-L239 HydrophobicContact CE1-CD2 3.97Å; I220-L239 HydrophobicContact CB-CD1 4.16Å; I220-L239 HydrophobicContact CG2-CD1 3.76Å; L235-L239 HydrophobicContact CD1-CG 4.38Å; L235-L239 HydrophobicContact CG-CD1 4.25Å; L235-L239 HydrophobicContact CG-CG 4.37Å; L235-L239 WeakPolarHBondContact O-CG 3.45Å; L235-L239 PolarHBondContact O-N 3.11Å; A236-L239 WeakPolarHBondContact O-CB 3.37Å; A236-L239 PolarHBondContact O-N 3.08Å; Q237-L239 VanDerWaalsContact C-N 3.34Å; L239-C243 HydrophobicContact CD2-CB 4.23Å; L239-C243 CarbonylContact O-C 3.5Å; L239-C243 WeakPolarHBondContact O-CA 3.47Å; L239-C243 WeakPolarHBondContact O-CB 3.36Å; L239-C243 PolarHBondContact O-N 3.35Å; L239-C243 VanDerWaalsContact O-N 3.12Å; L239-M244 PolarHBondContact O-N 3.3Å; L239-L257 HydrophobicContact CD2-CD1 4.31Å; L239-L257 HydrophobicContact CD2-CD2 4.26Å
240	I	93.5	Very high	90.9	Very high	57 Å²	57	33.6 Å²	33.6	29%	0.292	18%	0.181	S	C	.	.	I	π-helix	trans	-66	-50.3	179.5	-67.7	164.2	0	0	0	111	I226 A236 Q237	I226-I240 HydrophobicContact CD1-CD1 4.34Å; A236-I240 VanDerWaalsContact O-CG1 3.27Å; A236-I240 WeakPolarHBondContact O-CG1 3.47Å; A236-I240 PolarHBondContact O-N 2.63Å; Q237-I240 PolarHBondContact O-N 3.09Å
241	N	93.7	Very high	92.1	Very high	44 Å²	44	32.5 Å²	32.5	24%	0.235	17%	0.169	C	C	.	.	I	π-helix	trans	-76.3	-40.1	-171.5	-68.1	-4.7	0	0	0	112.8	Q237 P516 Y518 P520	Q237-N241 VanDerWaalsContact NE2-CG 3.31Å; Q237-N241 PolarHBondContact NE2-ND2 2.57Å; Q237-N241 PolarHBondContact NE2-OD1 3.41Å; Q237-N241 WeakPolarHBondContact O-CB 3.41Å; Q237-N241 VanDerWaalsContact O-CG 3.31Å; Q237-N241 PolarHBondContact O-N 3.31Å; N241-P516 PolarHBondContact ND2-O 3.33Å; N241-Y518 PolarHBondContact ND2-O 2.85Å; N241-P520 WeakPolarHBondContact O-CG 3.49Å
242	S	96	Very high	93.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.145	C	C	.	.	I	π-helix	trans	-106.8	-48.1	-172.2	-56.5	0	0	0	0	112.8	V238 H245 A250 R251 Y518	V238-S242 WeakPolarHBondContact O-CB 3.29Å; V238-S242 PolarHBondContact O-N 3.49Å; S242-H245 WeakPolarHBondContact O-CB 3.32Å; S242-H245 PolarHBondContact O-N 3.46Å; S242-A250 CarbonylContact O-C 3.56Å; S242-R251 WeakPolarHBondContact O-CA 3.17Å; S242-Y518 WeakPolarHBondContact OG-CD1 3.47Å
243	C	97.1	Very high	94.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.151	C	C	.	.	I	π-helix	trans	-80.7	-26.7	-172.7	-60.6	0	0	0	0	113.9	I213 S217 V238 L239 H245 R251	I213-C243 HydrophobicContact CG2-CB 3.66Å; S217-C243 WeakPolarHBondContact OG-CB 3.36Å; V238-C243 PolarHBondContact O-N 3.05Å; L239-C243 HydrophobicContact CD2-CB 4.23Å; L239-C243 CarbonylContact O-C 3.5Å; L239-C243 WeakPolarHBondContact O-CA 3.47Å; L239-C243 WeakPolarHBondContact O-CB 3.36Å; L239-C243 PolarHBondContact O-N 3.35Å; L239-C243 VanDerWaalsContact O-N 3.12Å; C243-H245 VanDerWaalsContact C-N 3.32Å; C243-R251 WeakPolarHBondContact O-CD 3.48Å; C243-R251 WeakPolarHBondContact O-CG 3.18Å
244	M	95.9	Very high	94.7	Very high	39 Å²	39	26.1 Å²	26.1	19%	0.192	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	17.6	171	-63.2	177.1	62	0	0	112.7	Y214 R218 C221 L239	Y214-M244 HydrophobicContact CD2-CB 4.41Å; Y214-M244 HydrophobicContact CE2-CB 3.99Å; Y214-M244 HydrophobicContact CE2-CG 4.49Å; Y214-M244 WeakPolarHBondContact CE2-O 3.18Å; R218-M244 HydrophobicContact CB-CE 4.14Å; R218-M244 HydrophobicContact CB-SD 4.45Å; C221-M244 HydrophobicContact CB-SD 4.45Å; L239-M244 PolarHBondContact O-N 3.3Å
245	H	95.8	Very high	95	Very high	41 Å²	41	24.8 Å²	24.8	19%	0.19	13%	0.133	C	C	.	.			trans	-70.2	149.8	177.9	-166.1	-90.2	0	0	0	111.8	S242 C243 L247 A250 R251	S242-H245 WeakPolarHBondContact O-CB 3.32Å; S242-H245 PolarHBondContact O-N 3.46Å; C243-H245 VanDerWaalsContact C-N 3.32Å; H245-L247 WeakPolarHBondContact ND1-CB 3.17Å; H245-L247 PolarHBondContact ND1-N 2.78Å; H245-A250 HydrophobicContact CB-CB 3.96Å; H245-R251 PolarHBondContact O-NE 2.75Å; H245-R251 PolarHBondContact O-NH2 2.77Å
246	S	94.9	Very high	95.2	Very high	49 Å²	49	27.1 Å²	27.1	34%	0.343	14%	0.144	S	C	.	.	S	Bend	trans	-64.1	-42.1	179.4	56.1	0	0	0	0	112.1	N202 P248 R251	N202-S246 WeakPolarHBondContact CB-O 3.3Å; N202-S246 PolarHBondContact ND2-O 3.24Å; S246-P248 WeakPolarHBondContact O-CD 3.4Å; S246-R251 PolarHBondContact O-NH2 3.03Å
247	L	95.1	Very high	95.4	Very high	66 Å²	66	26.9 Å²	26.9	35%	0.346	14%	0.141	S	C	.	.	S	Bend	trans	-74.4	121.4	177.6	-172.4	67.3	0	0	0	111.9	H245 K249 A250 L526	H245-L247 WeakPolarHBondContact ND1-CB 3.17Å; H245-L247 PolarHBondContact ND1-N 2.78Å; L247-K249 VanDerWaalsContact C-N 3.33Å; L247-K249 HydrophobicContact CD2-CB 4.32Å; L247-K249 HydrophobicContact CG-CB 4.23Å; L247-K249 PolarHBondContact O-N 3.39Å; L247-A250 HydrophobicContact CB-CB 4.29Å; L247-A250 WeakPolarHBondContact O-CB 3.39Å; L247-A250 PolarHBondContact O-N 2.85Å; L247-A250 VanDerWaalsContact O-N 3.1Å; L247-L526 HydrophobicContact CD2-CB 4.3Å
248	P	95.9	Very high	95.6	Very high	11 Å²	11	26.5 Å²	26.5	7%	0.071	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-56.6	-40.9	180	-30.1	38.6	0	0	0	114.5	N202 D204 C210 S246 A250 R251	N202-P248 HydrophobicContact CB-CG 4.08Å; D204-P248 HydrophobicContact CB-CB 3.91Å; D204-P248 HydrophobicContact CB-CG 4.14Å; C210-P248 HydrophobicContact CB-CB 4.04Å; S246-P248 WeakPolarHBondContact O-CD 3.4Å; P248-A250 PolarHBondContact O-N 3.21Å; P248-R251 WeakPolarHBondContact O-CB 3.47Å; P248-R251 PolarHBondContact O-N 2.9Å
249	K	94.2	Very high	95.6	Very high	64 Å²	64	27.5 Å²	27.5	28%	0.278	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	-60.4	-26.4	178.2	-177.3	172	-176.8	-174.8	0	114	Y207 L247 R251 L526 C529	Y207-K249 HydrophobicContact CD2-CB 3.9Å; Y207-K249 HydrophobicContact CD2-CG 4.47Å; Y207-K249 HydrophobicContact CE1-CB 4.38Å; Y207-K249 HydrophobicContact CE1-CG 4.01Å; Y207-K249 HydrophobicContact CE2-CB 3.49Å; Y207-K249 VanDerWaalsContact CE2-CB 3.49Å; Y207-K249 HydrophobicContact CE2-CD 3.99Å; Y207-K249 HydrophobicContact CE2-CG 3.67Å; Y207-K249 VanDerWaalsContact CZ-CG 3.42Å; Y207-K249 VanDerWaalsContact OH-CD 3.27Å; Y207-K249 WeakPolarHBondContact OH-CD 3.34Å; Y207-K249 VanDerWaalsContact OH-CE 3.25Å; Y207-K249 WeakPolarHBondContact OH-CE 3.41Å; Y207-K249 WeakPolarHBondContact OH-CG 3.39Å; L247-K249 VanDerWaalsContact C-N 3.33Å; L247-K249 HydrophobicContact CD2-CB 4.32Å; L247-K249 HydrophobicContact CG-CB 4.23Å; L247-K249 PolarHBondContact O-N 3.39Å; K249-R251 VanDerWaalsContact C-N 3.32Å; K249-L526 HydrophobicContact CB-CD2 4.38Å; K249-L526 HydrophobicContact CD-CD2 3.96Å; K249-L526 HydrophobicContact CG-CD2 3.68Å; K249-C529 PolarHBondContact NZ-SG 2.87Å
250	A	94.8	Very high	95.5	Very high	9 Å²	9	27.7 Å²	27.7	7%	0.074	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-78.4	-17.9	178.2	0	0	0	0	0	112.8	S242 H245 L247 P248 I252 P520 L526	S242-A250 CarbonylContact O-C 3.56Å; H245-A250 HydrophobicContact CB-CB 3.96Å; L247-A250 HydrophobicContact CB-CB 4.29Å; L247-A250 WeakPolarHBondContact O-CB 3.39Å; L247-A250 PolarHBondContact O-N 2.85Å; L247-A250 VanDerWaalsContact O-N 3.1Å; P248-A250 PolarHBondContact O-N 3.21Å; A250-I252 PolarHBondContact O-N 3.14Å; A250-P520 HydrophobicContact CB-CB 3.91Å; A250-P520 HydrophobicContact CB-CG 4.44Å; A250-L526 HydrophobicContact CB-CD1 3.96Å
251	R	96.4	Very high	95.4	Very high	3 Å²	3	28.8 Å²	28.8	1%	0.011	16%	0.161	C	C	.	.	S	Bend	trans	-75.4	124.4	-177.8	-53	-173.5	-164.1	146	3.6	109.5	K199 N202 F209 C210 I213 S242 C243 H245 S246 P248 K249	K199-R251 PolarHBondContact O-NH2 3.12Å; N202-R251 PolarHBondContact O-NH1 2.87Å; N202-R251 PolarHBondContact O-NH2 3.27Å; F209-R251 WeakPolarHBondContact CE2-O 3.32Å; C210-R251 HydrophobicContact CB-CB 4.43Å; C210-R251 VanDerWaalsContact O-CD 3.29Å; C210-R251 WeakPolarHBondContact O-CD 3.49Å; C210-R251 PolarHBondContact O-NH1 3.46Å; I213-R251 HydrophobicContact CG2-CB 4.28Å; S242-R251 WeakPolarHBondContact O-CA 3.17Å; C243-R251 WeakPolarHBondContact O-CD 3.48Å; C243-R251 WeakPolarHBondContact O-CG 3.18Å; H245-R251 PolarHBondContact O-NE 2.75Å; H245-R251 PolarHBondContact O-NH2 2.77Å; S246-R251 PolarHBondContact O-NH2 3.03Å; P248-R251 WeakPolarHBondContact O-CB 3.47Å; P248-R251 PolarHBondContact O-N 2.9Å; K249-R251 VanDerWaalsContact C-N 3.32Å
252	I	96.7	Very high	95.3	Very high	8 Å²	8	27.1 Å²	27.1	4%	0.041	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-76.6	129.8	-172	-51.4	171.7	0	0	0	110.1	I213 V238 A250 H256 L257 V513	I213-I252 VanDerWaalsContact CG2-O 3.32Å; I213-I252 WeakPolarHBondContact CG2-O 3.42Å; V238-I252 HydrophobicContact CG1-CD1 3.47Å; V238-I252 VanDerWaalsContact CG1-CD1 3.47Å; A250-I252 PolarHBondContact O-N 3.14Å; I252-H256 HydrophobicContact CG2-CB 3.45Å; I252-H256 VanDerWaalsContact CG2-CB 3.45Å; I252-L257 HydrophobicContact CB-CD2 4.02Å; I252-L257 HydrophobicContact CB-CG 4.01Å; I252-L257 HydrophobicContact CD1-CD2 4.08Å; I252-L257 HydrophobicContact CG2-CD2 4.01Å; I252-L257 HydrophobicContact CG2-CG 3.83Å; I252-V513 HydrophobicContact CD1-CB 4.39Å; I252-V513 HydrophobicContact CD1-CG1 4.04Å; I252-V513 HydrophobicContact CD1-CG2 3.48Å; I252-V513 VanDerWaalsContact CD1-CG2 3.48Å; I252-V513 HydrophobicContact CG1-CG2 3.88Å
253	P	97.3	Very high	95.2	Very high	26 Å²	26	27.6 Å²	27.6	17%	0.169	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-67.9	160.6	177.2	29	-34.9	0	0	0	112.3	F209 D255 H256 L257	F209-P253 HydrophobicContact CD1-CB 4.42Å; F209-P253 HydrophobicContact CD2-CB 4.13Å; F209-P253 HydrophobicContact CE1-CB 4.06Å; F209-P253 HydrophobicContact CE2-CB 3.74Å; F209-P253 HydrophobicContact CE2-CG 4.49Å; F209-P253 HydrophobicContact CG-CB 4.46Å; F209-P253 HydrophobicContact CZ-CB 3.71Å; F209-P253 HydrophobicContact CZ-CG 4.21Å; P253-D255 WeakPolarHBondContact CB-OD1 3.13Å; P253-D255 PolarHBondContact O-N 2.9Å; P253-H256 HydrophobicContact CG-CB 4.01Å; P253-H256 PolarHBondContact O-N 3.35Å; P253-L257 PolarHBondContact O-N 2.87Å
254	S	97.5	Very high	95	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62.2	-38.8	-171.5	45.9	0	0	0	0	113.9	N141 H144 L257 L258	N141-S254 WeakPolarHBondContact CA-OG 3.47Å; N141-S254 PolarHBondContact N-OG 2.97Å; H144-S254 PolarHBondContact ND1-OG 3.32Å; S254-L257 PolarHBondContact O-N 3.35Å; S254-L258 VanDerWaalsContact O-CG 3.32Å; S254-L258 WeakPolarHBondContact O-CG 3.09Å; S254-L258 PolarHBondContact O-N 2.89Å
255	D	95.1	Very high	94.8	Very high	57 Å²	57	32.6 Å²	32.6	31%	0.305	18%	0.179	S	C	.	.	H	α-helix	trans	-65.7	-35.2	175.3	62.8	-42.8	0	0	0	113.3	N141 N145 P253	N141-D255 WeakPolarHBondContact OD1-CB 3.47Å; N145-D255 WeakPolarHBondContact ND2-CB 3.47Å; N145-D255 PolarHBondContact ND2-OD1 3.46Å; P253-D255 WeakPolarHBondContact CB-OD1 3.13Å; P253-D255 PolarHBondContact O-N 2.9Å
256	H	95.4	Very high	94.7	Very high	49 Å²	49	32.4 Å²	32.4	23%	0.227	18%	0.181	C	C	.	.	H	α-helix	trans	-69.2	-45.3	172.7	-77.1	-156.9	0	0	0	110.6	I252 P253 L258 A259 Q510 F514	I252-H256 HydrophobicContact CG2-CB 3.45Å; I252-H256 VanDerWaalsContact CG2-CB 3.45Å; P253-H256 HydrophobicContact CG-CB 4.01Å; P253-H256 PolarHBondContact O-N 3.35Å; H256-L258 VanDerWaalsContact C-N 3.33Å; H256-L258 PolarHBondContact O-N 3.48Å; H256-A259 WeakPolarHBondContact O-CB 3.42Å; H256-A259 PolarHBondContact O-N 3.4Å; H256-A259 VanDerWaalsContact O-N 3.1Å; H256-Q510 PolarHBondContact CE1-NE2 3.04Å; H256-Q510 PolarHBondContact ND1-NE2 3.19Å; H256-Q510 PolarHBondContact NE2-NE2 2.99Å; H256-Q510 VanDerWaalsContact NE2-NE2 3.15Å; H256-F514 WeakPolarHBondContact O-CZ 3.3Å
257	L	96.6	Very high	94.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-61.3	-37.6	177.1	-73.3	172.6	0	0	0	112.9	L137 I213 V238 L239 I252 P253 S254 A259 H260 F263	L137-L257 HydrophobicContact CD1-CB 3.88Å; L137-L257 HydrophobicContact CD2-CB 4.02Å; L137-L257 HydrophobicContact CD2-CD1 3.74Å; I213-L257 HydrophobicContact CD1-CD1 4.22Å; I213-L257 HydrophobicContact CG2-CD1 4.4Å; V238-L257 HydrophobicContact CG1-CD2 4.27Å; L239-L257 HydrophobicContact CD2-CD1 4.31Å; L239-L257 HydrophobicContact CD2-CD2 4.26Å; I252-L257 HydrophobicContact CB-CD2 4.02Å; I252-L257 HydrophobicContact CB-CG 4.01Å; I252-L257 HydrophobicContact CD1-CD2 4.08Å; I252-L257 HydrophobicContact CG2-CD2 4.01Å; I252-L257 HydrophobicContact CG2-CG 3.83Å; P253-L257 PolarHBondContact O-N 2.87Å; S254-L257 PolarHBondContact O-N 3.35Å; L257-A259 PolarHBondContact O-N 3.17Å; L257-A259 VanDerWaalsContact O-N 3.12Å; L257-H260 WeakPolarHBondContact O-CB 3.4Å; L257-H260 PolarHBondContact O-N 3.06Å; L257-F263 WeakPolarHBondContact O-CD2 3.41Å; L257-F263 VanDerWaalsContact O-CE2 3.29Å; L257-F263 WeakPolarHBondContact O-CE2 3.45Å
258	L	95.7	Very high	94.7	Very high	32 Å²	32	27.4 Å²	27.4	17%	0.168	15%	0.15	C	C	.	.	H	α-helix	trans	-60	-21.7	176	-77.7	168.1	0	0	0	113.4	Y134 L137 N141 S254 H256 H260	Y134-L258 HydrophobicContact CD2-CD2 3.71Å; Y134-L258 HydrophobicContact CE2-CD2 3.8Å; Y134-L258 HydrophobicContact CG-CD2 4.45Å; L137-L258 HydrophobicContact CB-CD2 3.66Å; L137-L258 HydrophobicContact CB-CG 3.9Å; N141-L258 HydrophobicContact CB-CD1 3.75Å; S254-L258 VanDerWaalsContact O-CG 3.32Å; S254-L258 WeakPolarHBondContact O-CG 3.09Å; S254-L258 PolarHBondContact O-N 2.89Å; H256-L258 VanDerWaalsContact C-N 3.33Å; H256-L258 PolarHBondContact O-N 3.48Å; L258-H260 VanDerWaalsContact C-N 3.3Å
259	A	93.8	Very high	94.6	Very high	23 Å²	23	29.4 Å²	29.4	19%	0.19	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-0.2	176.1	0	0	0	0	0	114	H256 L257 R506	H256-A259 WeakPolarHBondContact O-CB 3.42Å; H256-A259 PolarHBondContact O-N 3.4Å; H256-A259 VanDerWaalsContact O-N 3.1Å; L257-A259 PolarHBondContact O-N 3.17Å; L257-A259 VanDerWaalsContact O-N 3.12Å; A259-R506 VanDerWaalsContact CB-CZ 3.47Å; A259-R506 VanDerWaalsContact CB-NH2 3.33Å
260	H	94.1	Very high	94.7	Very high	3 Å²	3	26.5 Å²	26.5	1%	0.014	15%	0.152	C	C	.	.	S	Bend	trans	-58.4	137.9	179.5	-170.6	-92.5	0	0	0	111.1	L235 L257 L258 S262 F263 F514	L235-H260 HydrophobicContact CD1-CB 4.28Å; L257-H260 WeakPolarHBondContact O-CB 3.4Å; L257-H260 PolarHBondContact O-N 3.06Å; L258-H260 VanDerWaalsContact C-N 3.3Å; H260-S262 PolarHBondContact CE1-OG 3.4Å; H260-S262 WeakPolarHBondContact ND1-CB 2.98Å; H260-S262 PolarHBondContact ND1-N 3.34Å; H260-S262 PolarHBondContact ND1-OG 3.22Å; H260-S262 PolarHBondContact O-N 3.13Å; H260-F263 HydrophobicContact CB-CD2 4.03Å; H260-F263 HydrophobicContact CB-CE2 4.24Å; H260-F263 PolarHBondContact O-N 3.29Å; H260-F514 AromaticContact CD2-CD1 3.6Å; H260-F514 AromaticContact CD2-CG 3.82Å
261	P	92.3	Very high	94.7	Very high	81 Å²	81	26.8 Å²	26.8	53%	0.526	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-54.5	-30.2	-176.5	-29.2	36.1	0	0	0	115.2	F263 K264	P261-F263 PolarHBondContact O-N 3.5Å; P261-K264 WeakPolarHBondContact O-CB 3.37Å; P261-K264 PolarHBondContact O-N 2.92Å
262	S	91.6	Very high	94.6	Very high	8 Å²	8	28.9 Å²	28.9	6%	0.056	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-57.2	-31.4	176.5	-48.2	0	0	0	0	113.1	P231 H260 K264 S265	P231-S262 WeakPolarHBondContact O-CB 3.47Å; P231-S262 PolarHBondContact O-OG 3.24Å; H260-S262 PolarHBondContact CE1-OG 3.4Å; H260-S262 WeakPolarHBondContact ND1-CB 2.98Å; H260-S262 PolarHBondContact ND1-N 3.34Å; H260-S262 PolarHBondContact ND1-OG 3.22Å; H260-S262 PolarHBondContact O-N 3.13Å; S262-K264 VanDerWaalsContact C-N 3.3Å; S262-S265 PolarHBondContact O-OG 2.71Å
263	F	94	Very high	94.6	Very high	10 Å²	10	29.6 Å²	29.6	4%	0.044	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-81.4	-7.2	176.8	-58.6	-52.3	0	0	0	113.6	L130 Y134 L137 L235 L257 H260 P261 S265 I268	L130-F263 HydrophobicContact CD1-CD1 3.79Å; L130-F263 HydrophobicContact CD1-CE1 3.66Å; L130-F263 HydrophobicContact CG-CD1 4.34Å; L130-F263 HydrophobicContact CG-CE1 4.38Å; L130-F263 WeakPolarHBondContact O-CE1 3.4Å; Y134-F263 HydrophobicContact CD2-CB 3.97Å; Y134-F263 AromaticContact CD2-CD1 3.8Å; Y134-F263 HydrophobicContact CD2-CD1 3.8Å; Y134-F263 HydrophobicContact CD2-CD2 4.45Å; Y134-F263 HydrophobicContact CD2-CE1 4.41Å; Y134-F263 AromaticContact CD2-CG 3.82Å; Y134-F263 HydrophobicContact CD2-CG 3.82Å; Y134-F263 HydrophobicContact CE2-CB 4.37Å; Y134-F263 HydrophobicContact CG-CD1 4.26Å; L137-F263 HydrophobicContact CD1-CE2 3.67Å; L137-F263 HydrophobicContact CD1-CZ 3.65Å; L235-F263 HydrophobicContact CD1-CE2 4.33Å; L235-F263 HydrophobicContact CD1-CZ 4.41Å; L235-F263 HydrophobicContact CD2-CE1 4.09Å; L235-F263 HydrophobicContact CD2-CE2 4.27Å; L235-F263 HydrophobicContact CD2-CZ 3.59Å; L257-F263 WeakPolarHBondContact O-CD2 3.41Å; L257-F263 VanDerWaalsContact O-CE2 3.29Å; L257-F263 WeakPolarHBondContact O-CE2 3.45Å; H260-F263 HydrophobicContact CB-CD2 4.03Å; H260-F263 HydrophobicContact CB-CE2 4.24Å; H260-F263 PolarHBondContact O-N 3.29Å; P261-F263 PolarHBondContact O-N 3.5Å; F263-S265 VanDerWaalsContact C-N 3.28Å; F263-I268 HydrophobicContact CB-CG2 4.27Å; F263-I268 WeakPolarHBondContact O-CB 3.44Å; F263-I268 VanDerWaalsContact O-CG2 3.26Å; F263-I268 WeakPolarHBondContact O-CG2 3.47Å
264	K	91.2	Very high	94.5	Very high	119 Å²	119	28.6 Å²	28.6	52%	0.517	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-88.8	9	172.4	-57.9	-164.8	180	-164.1	0	112.9	P261 S262 E503	P261-K264 WeakPolarHBondContact O-CB 3.37Å; P261-K264 PolarHBondContact O-N 2.92Å; S262-K264 VanDerWaalsContact C-N 3.3Å; K264-E503 IonicContact NZ-OE1 2.89Å; K264-E503 IonicContact NZ-OE2 3.67Å; K264-E503 PolarHBondContact NZ-OE2 3.32Å
265	S	92	Very high	94.3	Very high	26 Å²	26	32.2 Å²	32.2	18%	0.182	18%	0.179	C	C	.	.	S	Bend	trans	-62.1	153.5	177	65	0	0	0	0	111.8	S262 F263 Y267 I268 S269	S262-S265 PolarHBondContact O-OG 2.71Å; F263-S265 VanDerWaalsContact C-N 3.28Å; S265-Y267 PolarHBondContact O-N 3Å; S265-Y267 VanDerWaalsContact O-N 3.14Å; S265-I268 PolarHBondContact O-N 3.42Å; S265-I268 WeakPolarHBondContact OG-CG1 3.2Å; S265-I268 PolarHBondContact OG-N 2.66Å; S265-S269 WeakPolarHBondContact O-CB 3.26Å; S265-S269 PolarHBondContact O-N 3.34Å; S265-S269 PolarHBondContact O-OG 3.03Å
266	P	94.2	Very high	94.2	Very high	36 Å²	36	31.5 Å²	31.5	23%	0.234	18%	0.177	C	C	.	.	H	α-helix	trans	-54.2	-33.2	177	-28.3	36.4	0	0	0	113.4	S269 T270 R299 I300	P266-S269 WeakPolarHBondContact CA-OG 3.34Å; P266-S269 PolarHBondContact O-OG 3.22Å; P266-T270 WeakPolarHBondContact O-CB 3.44Å; P266-T270 PolarHBondContact O-N 3.47Å; P266-T270 VanDerWaalsContact O-N 3.13Å; P266-T270 PolarHBondContact O-OG1 3.33Å; P266-R299 HydrophobicContact CB-CB 4.26Å; P266-R299 HydrophobicContact CG-CB 3.96Å; P266-I300 HydrophobicContact CB-CG2 4.1Å
267	Y	94.3	Very high	94.1	Very high	7 Å²	7	29.4 Å²	29.4	3%	0.027	17%	0.167	C	C	.	.	H	α-helix	trans	-66.8	-58.8	177.7	173.6	-132.5	0	0	0	112.2	D127 A131 S265 S269 T270 L271 L304 N308 I309	D127-Y267 HydrophobicContact CB-CD1 4.35Å; D127-Y267 HydrophobicContact CB-CE1 4.01Å; A131-Y267 HydrophobicContact CB-CE1 3.92Å; S265-Y267 PolarHBondContact O-N 3Å; S265-Y267 VanDerWaalsContact O-N 3.14Å; Y267-S269 PolarHBondContact O-N 3.18Å; Y267-T270 PolarHBondContact O-N 3.24Å; Y267-L271 HydrophobicContact CD2-CD1 4.21Å; Y267-L271 HydrophobicContact CD2-CG 4.3Å; Y267-L271 HydrophobicContact CE1-CD1 4.28Å; Y267-L271 HydrophobicContact CE2-CD1 3.54Å; Y267-L271 HydrophobicContact CE2-CD2 4.29Å; Y267-L271 HydrophobicContact CE2-CG 3.92Å; Y267-L271 PolarHBondContact O-N 3.46Å; Y267-L304 HydrophobicContact CD1-CD2 3.88Å; Y267-L304 HydrophobicContact CD2-CD1 4.4Å; Y267-L304 HydrophobicContact CD2-CD2 3.76Å; Y267-L304 HydrophobicContact CD2-CG 3.95Å; Y267-L304 HydrophobicContact CE1-CD1 4.11Å; Y267-L304 HydrophobicContact CE1-CD2 4.18Å; Y267-L304 HydrophobicContact CE2-CD1 3.85Å; Y267-L304 HydrophobicContact CE2-CD2 4.07Å; Y267-L304 HydrophobicContact CE2-CG 3.85Å; Y267-L304 HydrophobicContact CG-CD2 3.67Å; Y267-L304 HydrophobicContact CG-CG 4.36Å; Y267-N308 HydrophobicContact CE2-CB 3.96Å; Y267-N308 PolarHBondContact OH-ND2 2.93Å; Y267-I309 HydrophobicContact CD2-CD1 4.15Å; Y267-I309 HydrophobicContact CD2-CG1 4.33Å; Y267-I309 HydrophobicContact CE2-CG1 4.43Å
268	I	94.9	Very high	93.9	Very high	3 Å²	3	32.9 Å²	32.9	2%	0.015	19%	0.188	C	C	.	.	H	α-helix	trans	-65.3	-42.8	-176.8	-58.9	-60.3	0	0	0	111.3	L130 A131 Y134 F263 S265 T270 L271 D272	L130-I268 HydrophobicContact CD2-CD1 4.29Å; L130-I268 HydrophobicContact CD2-CG1 3.83Å; L130-I268 HydrophobicContact CG-CD1 4.04Å; L130-I268 HydrophobicContact CG-CG1 3.93Å; A131-I268 HydrophobicContact CB-CD1 3.88Å; Y134-I268 HydrophobicContact CD1-CG2 4.25Å; Y134-I268 HydrophobicContact CD2-CG2 3.87Å; Y134-I268 HydrophobicContact CE2-CG2 4.14Å; Y134-I268 HydrophobicContact CG-CG2 3.92Å; F263-I268 HydrophobicContact CB-CG2 4.27Å; F263-I268 WeakPolarHBondContact O-CB 3.44Å; F263-I268 VanDerWaalsContact O-CG2 3.26Å; F263-I268 WeakPolarHBondContact O-CG2 3.47Å; S265-I268 PolarHBondContact O-N 3.42Å; S265-I268 WeakPolarHBondContact OG-CG1 3.2Å; S265-I268 PolarHBondContact OG-N 2.66Å; I268-T270 VanDerWaalsContact C-N 3.27Å; I268-T270 PolarHBondContact O-N 3.49Å; I268-L271 PolarHBondContact O-N 3.11Å; I268-D272 PolarHBondContact O-N 3.09Å
269	S	95.1	Very high	93.7	Very high	54 Å²	54	35.8 Å²	35.8	38%	0.378	21%	0.211	S	C	.	.	H	α-helix	trans	-62.9	-33.2	177.1	57.7	0	0	0	0	112.9	S265 P266 Y267 F273	S265-S269 WeakPolarHBondContact O-CB 3.26Å; S265-S269 PolarHBondContact O-N 3.34Å; S265-S269 PolarHBondContact O-OG 3.03Å; P266-S269 WeakPolarHBondContact CA-OG 3.34Å; P266-S269 PolarHBondContact O-OG 3.22Å; Y267-S269 PolarHBondContact O-N 3.18Å; S269-F273 WeakPolarHBondContact O-CB 3.29Å; S269-F273 PolarHBondContact O-N 3.49Å
270	T	96.9	Very high	93.7	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.012	21%	0.213	C	C	.	.	H	α-helix	trans	-69.2	-43.3	173.8	-65.6	0	0	0	0	111.7	P266 Y267 I268 F273 L274 F288 F292 V296 I309	P266-T270 WeakPolarHBondContact O-CB 3.44Å; P266-T270 PolarHBondContact O-N 3.47Å; P266-T270 VanDerWaalsContact O-N 3.13Å; P266-T270 PolarHBondContact O-OG1 3.33Å; Y267-T270 PolarHBondContact O-N 3.24Å; I268-T270 VanDerWaalsContact C-N 3.27Å; I268-T270 PolarHBondContact O-N 3.49Å; T270-F273 PolarHBondContact O-N 3.49Å; T270-L274 HydrophobicContact CG2-CD1 3.81Å; T270-L274 HydrophobicContact CG2-CG 4.35Å; T270-L274 VanDerWaalsContact O-CG 3.3Å; T270-L274 WeakPolarHBondContact O-CG 3.41Å; T270-L274 PolarHBondContact O-N 3.03Å; T270-F288 HydrophobicContact CG2-CE2 4.42Å; T270-F288 HydrophobicContact CG2-CZ 3.96Å; T270-F292 HydrophobicContact CG2-CE2 4.13Å; T270-V296 HydrophobicContact CG2-CG1 4.14Å; T270-V296 VanDerWaalsContact OG1-CG1 3.29Å; T270-V296 WeakPolarHBondContact OG1-CG1 3.48Å; T270-V296 VanDerWaalsContact OG1-CG2 3.3Å; T270-V296 WeakPolarHBondContact OG1-CG2 3.37Å; T270-I309 HydrophobicContact CG2-CD1 3.72Å; T270-I309 HydrophobicContact CG2-CG1 4.04Å; T270-I309 HydrophobicContact CG2-CG2 3.75Å
271	L	94.7	Very high	93.7	Very high	15 Å²	15	39.4 Å²	39.4	8%	0.079	23%	0.225	C	C	.	.	H	α-helix	trans	-60.6	-46.4	175.8	-67.7	179.1	0	0	0	111.2	A131 Y267 I268 F273 L274 D275 I309 K312	A131-L271 HydrophobicContact CB-CD1 4.38Å; Y267-L271 HydrophobicContact CD2-CD1 4.21Å; Y267-L271 HydrophobicContact CD2-CG 4.3Å; Y267-L271 HydrophobicContact CE1-CD1 4.28Å; Y267-L271 HydrophobicContact CE2-CD1 3.54Å; Y267-L271 HydrophobicContact CE2-CD2 4.29Å; Y267-L271 HydrophobicContact CE2-CG 3.92Å; Y267-L271 PolarHBondContact O-N 3.46Å; I268-L271 PolarHBondContact O-N 3.11Å; L271-F273 VanDerWaalsContact C-N 3.35Å; L271-F273 PolarHBondContact O-N 3.44Å; L271-L274 PolarHBondContact O-N 3.48Å; L271-D275 WeakPolarHBondContact O-CB 3.17Å; L271-D275 VanDerWaalsContact O-CG 3.27Å; L271-D275 PolarHBondContact O-N 3.24Å; L271-I309 HydrophobicContact CD2-CG1 4.17Å; L271-K312 HydrophobicContact CD2-CD 3.91Å
272	D	94.3	Very high	93.7	Very high	47 Å²	47	39.4 Å²	39.4	25%	0.251	22%	0.221	S	C	.	.	H	α-helix	trans	-59.4	-43.2	176.5	-178.3	81.1	0	0	0	112.3	Y134 I268 L274 D275 T276 R280	Y134-D272 PolarHBondContact OH-OD1 3.49Å; I268-D272 PolarHBondContact O-N 3.09Å; D272-L274 PolarHBondContact O-N 3.39Å; D272-D275 PolarHBondContact O-N 2.96Å; D272-T276 WeakPolarHBondContact O-CB 3.37Å; D272-T276 PolarHBondContact O-N 3.29Å; D272-T276 PolarHBondContact O-OG1 2.94Å; D272-R280 IonicContact OD2-NH2 2.79Å; D272-R280 PolarHBondContact OD2-NH2 2.96Å; D272-R280 VanDerWaalsContact OD2-NH2 3.14Å
273	F	96.4	Very high	93.8	Very high	23 Å²	23	46.8 Å²	46.8	10%	0.101	25%	0.252	C	S	.	.	H	α-helix	trans	-61.3	-44.3	177.2	-171.1	-84.2	0	0	0	111.9	S269 T270 L271 T276 Y277 R280 E284 K285 F288	S269-F273 WeakPolarHBondContact O-CB 3.29Å; S269-F273 PolarHBondContact O-N 3.49Å; T270-F273 PolarHBondContact O-N 3.49Å; L271-F273 VanDerWaalsContact C-N 3.35Å; L271-F273 PolarHBondContact O-N 3.44Å; F273-T276 CarbonylContact O-C 3.47Å; F273-T276 PolarHBondContact O-N 3.25Å; F273-T276 PolarHBondContact O-OG1 3.31Å; F273-Y277 HydrophobicContact CD1-CD2 4.37Å; F273-Y277 AromaticContact CE1-CD2 3.97Å; F273-Y277 HydrophobicContact CE1-CD2 3.97Å; F273-Y277 HydrophobicContact CE1-CE2 4.2Å; F273-Y277 WeakPolarHBondContact O-CA 2.93Å; F273-Y277 PolarHBondContact O-N 3.03Å; F273-R280 HydrophobicContact CD2-CG 4.33Å; F273-R280 HydrophobicContact CE1-CG 4.46Å; F273-R280 HydrophobicContact CE2-CB 4.47Å; F273-R280 HydrophobicContact CE2-CG 3.92Å; F273-R280 HydrophobicContact CZ-CB 4.22Å; F273-R280 HydrophobicContact CZ-CG 3.98Å; F273-E284 HydrophobicContact CE2-CB 4.35Å; F273-E284 HydrophobicContact CZ-CB 4.47Å; F273-K285 HydrophobicContact CZ-CG 4.39Å; F273-F288 HydrophobicContact CB-CD2 4.32Å; F273-F288 HydrophobicContact CB-CE2 3.99Å; F273-F288 HydrophobicContact CB-CZ 4.47Å; F273-F288 HydrophobicContact CD1-CB 4.34Å; F273-F288 AromaticContact CD1-CD1 3.69Å; F273-F288 HydrophobicContact CD1-CD1 3.69Å; F273-F288 AromaticContact CD1-CD2 3.64Å; F273-F288 HydrophobicContact CD1-CD2 3.64Å; F273-F288 AromaticContact CD1-CE1 3.79Å; F273-F288 HydrophobicContact CD1-CE1 3.79Å; F273-F288 AromaticContact CD1-CE2 3.75Å; F273-F288 HydrophobicContact CD1-CE2 3.75Å; F273-F288 AromaticContact CD1-CG 3.61Å; F273-F288 HydrophobicContact CD1-CG 3.61Å; F273-F288 AromaticContact CD1-CZ 3.82Å; F273-F288 HydrophobicContact CD1-CZ 3.82Å; F273-F288 AromaticContact CD2-CD2 3.97Å; F273-F288 HydrophobicContact CD2-CD2 3.97Å; F273-F288 HydrophobicContact CD2-CE2 4.49Å; F273-F288 HydrophobicContact CD2-CG 4.34Å; F273-F288 HydrophobicContact CE1-CB 3.7Å; F273-F288 AromaticContact CE1-CD1 3.47Å; F273-F288 HydrophobicContact CE1-CD1 3.47Å; F273-F288 VanDerWaalsContact CE1-CD1 3.47Å; F273-F288 AromaticContact CE1-CD2 3.9Å; F273-F288 HydrophobicContact CE1-CD2 3.9Å; F273-F288 HydrophobicContact CE1-CE1 4.03Å; F273-F288 HydrophobicContact CE1-CE2 4.4Å; F273-F288 AromaticContact CE1-CG 3.39Å; F273-F288 HydrophobicContact CE1-CG 3.39Å; F273-F288 HydrophobicContact CE1-CZ 4.46Å; F273-F288 HydrophobicContact CE2-CB 3.96Å; F273-F288 HydrophobicContact CE2-CD2 4.2Å; F273-F288 HydrophobicContact CE2-CG 4.15Å; F273-F288 AromaticContact CG-CD2 3.69Å; F273-F288 HydrophobicContact CG-CD2 3.69Å; F273-F288 AromaticContact CG-CE2 3.81Å; F273-F288 HydrophobicContact CG-CE2 3.81Å; F273-F288 HydrophobicContact CG-CG 4.09Å; F273-F288 HydrophobicContact CG-CZ 4.3Å; F273-F288 HydrophobicContact CZ-CB 3.48Å; F273-F288 VanDerWaalsContact CZ-CB 3.48Å; F273-F288 HydrophobicContact CZ-CD1 4.19Å; F273-F288 HydrophobicContact CZ-CD2 4.17Å; F273-F288 AromaticContact CZ-CG 3.7Å; F273-F288 HydrophobicContact CZ-CG 3.7Å
274	L	95.5	Very high	93.9	Very high	5 Å²	5	50.3 Å²	50.3	3%	0.026	27%	0.269	C	S	.	.	H	α-helix	trans	-72.1	-35.8	-179.9	-65.1	172.2	0	0	0	112.2	T270 L271 D272 T276 Y277 F288 I309 K312 I318	T270-L274 HydrophobicContact CG2-CD1 3.81Å; T270-L274 HydrophobicContact CG2-CG 4.35Å; T270-L274 VanDerWaalsContact O-CG 3.3Å; T270-L274 WeakPolarHBondContact O-CG 3.41Å; T270-L274 PolarHBondContact O-N 3.03Å; L271-L274 PolarHBondContact O-N 3.48Å; D272-L274 PolarHBondContact O-N 3.39Å; L274-T276 VanDerWaalsContact C-N 3.3Å; L274-T276 PolarHBondContact O-N 3.49Å; L274-Y277 HydrophobicContact CD2-CD2 4.48Å; L274-Y277 WeakPolarHBondContact O-CB 3.27Å; L274-Y277 PolarHBondContact O-N 3.32Å; L274-F288 HydrophobicContact CD2-CE1 4.12Å; L274-F288 HydrophobicContact CD2-CZ 4.35Å; L274-F288 HydrophobicContact CG-CZ 4.48Å; L274-I309 HydrophobicContact CD1-CG2 3.8Å; L274-K312 HydrophobicContact CB-CB 4.31Å; L274-K312 HydrophobicContact CB-CD 3.97Å; L274-K312 HydrophobicContact CD1-CB 4.01Å; L274-K312 HydrophobicContact CD1-CD 4.21Å; L274-I318 HydrophobicContact CB-CD1 4.45Å; L274-I318 HydrophobicContact CD2-CD1 4.06Å
275	D	91.8	Very high	94.2	Very high	77 Å²	77	45.3 Å²	45.3	41%	0.412	25%	0.247	S	C	.	.	H	α-helix	trans	-65.4	-36.5	174.8	-75.7	-19.9	0	0	0	112.2	Y166 L271 D272 Y277 K312	Y166-D275 PolarHBondContact OH-OD1 3.12Å; Y166-D275 PolarHBondContact OH-OD2 3.28Å; L271-D275 WeakPolarHBondContact O-CB 3.17Å; L271-D275 VanDerWaalsContact O-CG 3.27Å; L271-D275 PolarHBondContact O-N 3.24Å; D272-D275 PolarHBondContact O-N 2.96Å; D275-Y277 VanDerWaalsContact C-N 3.35Å; D275-K312 IonicContact OD1-NZ 3.18Å; D275-K312 PolarHBondContact OD1-NZ 3.19Å
276	T	92.8	Very high	94.3	Very high	42 Å²	42	49.1 Å²	49.1	26%	0.258	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	11.8	179.3	60.1	0	0	0	0	112.9	D272 F273 L274 V278 S279 R280	D272-T276 WeakPolarHBondContact O-CB 3.37Å; D272-T276 PolarHBondContact O-N 3.29Å; D272-T276 PolarHBondContact O-OG1 2.94Å; F273-T276 CarbonylContact O-C 3.47Å; F273-T276 PolarHBondContact O-N 3.25Å; F273-T276 PolarHBondContact O-OG1 3.31Å; L274-T276 VanDerWaalsContact C-N 3.3Å; L274-T276 PolarHBondContact O-N 3.49Å; T276-V278 VanDerWaalsContact C-N 3.31Å; T276-V278 PolarHBondContact O-N 2.66Å; T276-V278 VanDerWaalsContact O-N 3.13Å; T276-S279 WeakPolarHBondContact O-CA 3.48Å; T276-S279 WeakPolarHBondContact O-CB 3.5Å; T276-S279 PolarHBondContact O-N 3.41Å; T276-S279 PolarHBondContact O-OG 2.87Å; T276-R280 PolarHBondContact O-N 3.13Å; T276-R280 PolarHBondContact OG1-NE 3.4Å; T276-R280 PolarHBondContact OG1-NH2 2.97Å
277	Y	94.8	Very high	94.4	Very high	5 Å²	5	50.2 Å²	50.2	2%	0.02	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-52.2	-43.2	-168.5	-173.5	-95.8	0	0	0	114.5	F273 L274 D275 S279 R280 K285 F289 I318 D321	F273-Y277 HydrophobicContact CD1-CD2 4.37Å; F273-Y277 AromaticContact CE1-CD2 3.97Å; F273-Y277 HydrophobicContact CE1-CD2 3.97Å; F273-Y277 HydrophobicContact CE1-CE2 4.2Å; F273-Y277 WeakPolarHBondContact O-CA 2.93Å; F273-Y277 PolarHBondContact O-N 3.03Å; L274-Y277 HydrophobicContact CD2-CD2 4.48Å; L274-Y277 WeakPolarHBondContact O-CB 3.27Å; L274-Y277 PolarHBondContact O-N 3.32Å; D275-Y277 VanDerWaalsContact C-N 3.35Å; Y277-S279 PolarHBondContact O-N 3.41Å; Y277-R280 WeakPolarHBondContact O-CB 3.4Å; Y277-R280 PolarHBondContact O-N 3.11Å; Y277-R280 VanDerWaalsContact O-N 3.12Å; Y277-K285 HydrophobicContact CD2-CG 4.46Å; Y277-K285 HydrophobicContact CE1-CD 4.06Å; Y277-K285 HydrophobicContact CE2-CB 4.44Å; Y277-K285 HydrophobicContact CE2-CD 4.1Å; Y277-K285 HydrophobicContact CE2-CG 3.81Å; Y277-K285 VanDerWaalsContact O-CE 3.28Å; Y277-K285 WeakPolarHBondContact O-CE 3.26Å; Y277-F289 AromaticContact CE2-CE2 3.63Å; Y277-F289 HydrophobicContact CE2-CE2 3.63Å; Y277-F289 HydrophobicContact CE2-CZ 4.12Å; Y277-I318 HydrophobicContact CD1-CD1 4.39Å; Y277-I318 HydrophobicContact CD1-CG1 3.55Å; Y277-I318 HydrophobicContact CD2-CD1 4.36Å; Y277-I318 HydrophobicContact CD2-CG1 4.09Å; Y277-I318 HydrophobicContact CE1-CB 4.44Å; Y277-I318 HydrophobicContact CE1-CG1 3.87Å; Y277-I318 HydrophobicContact CE2-CG1 4.38Å; Y277-I318 HydrophobicContact CE2-CG2 4.38Å; Y277-I318 HydrophobicContact CG-CD1 4.04Å; Y277-I318 HydrophobicContact CG-CG1 3.67Å; Y277-D321 HydrophobicContact CE1-CB 4.28Å; Y277-D321 WeakPolarHBondContact CE1-OD2 3.45Å; Y277-D321 VanDerWaalsContact CZ-OD2 3.26Å; Y277-D321 WeakPolarHBondContact OH-CB 3.27Å; Y277-D321 PolarHBondContact OH-OD2 2.94Å
278	V	91.9	Very high	94.5	Very high	73 Å²	73	51.1 Å²	51.1	44%	0.442	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-66.9	-23.4	-178.7	180	0	0	0	0	112.3	T276 T317	T276-V278 VanDerWaalsContact C-N 3.31Å; T276-V278 PolarHBondContact O-N 2.66Å; T276-V278 VanDerWaalsContact O-N 3.13Å; V278-T317 HydrophobicContact CG2-CG2 4.25Å
279	S	92.4	Very high	94.6	Very high	92 Å²	92	51.5 Å²	51.5	64%	0.643	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-88.9	-9	176.3	71	0	0	0	0	113.8	T276 Y277	T276-S279 WeakPolarHBondContact O-CA 3.48Å; T276-S279 WeakPolarHBondContact O-CB 3.5Å; T276-S279 PolarHBondContact O-N 3.41Å; T276-S279 PolarHBondContact O-OG 2.87Å; Y277-S279 PolarHBondContact O-N 3.41Å
280	R	93.8	Very high	94.5	Very high	63 Å²	63	57.7 Å²	57.7	24%	0.238	29%	0.289	C	S	.	.	S	Bend	trans	-80.8	145.2	177.8	-56.4	-59.2	179	158.8	0.8	111	D272 F273 T276 Y277 E284 K285	D272-R280 IonicContact OD2-NH2 2.79Å; D272-R280 PolarHBondContact OD2-NH2 2.96Å; D272-R280 VanDerWaalsContact OD2-NH2 3.14Å; F273-R280 HydrophobicContact CD2-CG 4.33Å; F273-R280 HydrophobicContact CE1-CG 4.46Å; F273-R280 HydrophobicContact CE2-CB 4.47Å; F273-R280 HydrophobicContact CE2-CG 3.92Å; F273-R280 HydrophobicContact CZ-CB 4.22Å; F273-R280 HydrophobicContact CZ-CG 3.98Å; T276-R280 PolarHBondContact O-N 3.13Å; T276-R280 PolarHBondContact OG1-NE 3.4Å; T276-R280 PolarHBondContact OG1-NH2 2.97Å; Y277-R280 WeakPolarHBondContact O-CB 3.4Å; Y277-R280 PolarHBondContact O-N 3.11Å; Y277-R280 VanDerWaalsContact O-N 3.12Å; R280-E284 HydrophobicContact CB-CB 4.38Å; R280-K285 HydrophobicContact CB-CG 4.2Å; R280-K285 WeakPolarHBondContact O-CE 3.4Å
281	S	93.3	Very high	94.4	Very high	39 Å²	39	58.9 Å²	58.9	27%	0.273	30%	0.297	S	S	.	.			trans	-72.1	158.3	173.7	66	0	0	0	0	111.8	K283 E284 K285	S281-K283 PolarHBondContact O-N 2.72Å; S281-E284 WeakPolarHBondContact CB-OE2 2.91Å; S281-E284 PolarHBondContact N-OE2 2.98Å; S281-E284 PolarHBondContact O-N 3.42Å; S281-E284 VanDerWaalsContact O-N 3.11Å; S281-E284 VanDerWaalsContact OG-CG 3.25Å; S281-E284 WeakPolarHBondContact OG-CG 3.11Å; S281-E284 PolarHBondContact OG-N 3.33Å; S281-E284 PolarHBondContact OG-OE2 2.97Å; S281-K285 WeakPolarHBondContact O-CG 3.34Å; S281-K285 PolarHBondContact O-N 3.48Å
282	D	92.5	Very high	94.4	Very high	82 Å²	82	58.2 Å²	58.2	44%	0.439	29%	0.294	S	S	.	.	H	α-helix	trans	-64.6	-32.2	-178.3	-59.1	-30.1	0	0	0	111.9	K285 E286 N484	D282-K285 PolarHBondContact O-N 3.24Å; D282-K285 IonicContact OD1-NZ 2.92Å; D282-K285 PolarHBondContact OD1-NZ 3.27Å; D282-E286 WeakPolarHBondContact O-CB 3.18Å; D282-E286 PolarHBondContact O-N 3.19Å; D282-N484 PolarHBondContact OD1-ND2 2.87Å; D282-N484 PolarHBondContact OD2-ND2 3.09Å
283	K	94.2	Very high	94.4	Very high	163 Å²	163	56.9 Å²	56.9	71%	0.709	29%	0.287	S	S	*	.	H	α-helix	trans	-63.3	-43.3	172.1	-176	178.3	179.7	-179.6	0	112.4	S281 E286 V287	S281-K283 PolarHBondContact O-N 2.72Å; K283-E286 PolarHBondContact O-N 3.14Å; K283-V287 VanDerWaalsContact O-CG2 3.3Å; K283-V287 WeakPolarHBondContact O-CG2 3.48Å; K283-V287 PolarHBondContact O-N 3.06Å; K283-V287 VanDerWaalsContact O-N 3.09Å
284	E	96	Very high	94.2	Very high	83 Å²	83	60 Å²	60	39%	0.388	30%	0.302	S	S	.	.	H	α-helix	trans	-64.9	-42.6	177.3	-73.5	166.5	129.6	0	0	111.2	F273 R280 S281 V287 F288	F273-E284 HydrophobicContact CE2-CB 4.35Å; F273-E284 HydrophobicContact CZ-CB 4.47Å; R280-E284 HydrophobicContact CB-CB 4.38Å; S281-E284 WeakPolarHBondContact CB-OE2 2.91Å; S281-E284 PolarHBondContact N-OE2 2.98Å; S281-E284 PolarHBondContact O-N 3.42Å; S281-E284 VanDerWaalsContact O-N 3.11Å; S281-E284 VanDerWaalsContact OG-CG 3.25Å; S281-E284 WeakPolarHBondContact OG-CG 3.11Å; S281-E284 PolarHBondContact OG-N 3.33Å; S281-E284 PolarHBondContact OG-OE2 2.97Å; E284-V287 PolarHBondContact O-N 2.95Å; E284-F288 VanDerWaalsContact O-CB 3.28Å; E284-F288 WeakPolarHBondContact O-CB 3.48Å; E284-F288 PolarHBondContact O-N 2.68Å
285	K	95.9	Very high	94.2	Very high	14 Å²	14	65.6 Å²	65.6	6%	0.061	33%	0.326	C	S	.	.	H	α-helix	trans	-61.8	-44.2	176.8	-64.9	168.3	-174.3	165.5	0	112	F273 Y277 R280 S281 D282 F288 F289 D321 P323	F273-K285 HydrophobicContact CZ-CG 4.39Å; Y277-K285 HydrophobicContact CD2-CG 4.46Å; Y277-K285 HydrophobicContact CE1-CD 4.06Å; Y277-K285 HydrophobicContact CE2-CB 4.44Å; Y277-K285 HydrophobicContact CE2-CD 4.1Å; Y277-K285 HydrophobicContact CE2-CG 3.81Å; Y277-K285 VanDerWaalsContact O-CE 3.28Å; Y277-K285 WeakPolarHBondContact O-CE 3.26Å; R280-K285 HydrophobicContact CB-CG 4.2Å; R280-K285 WeakPolarHBondContact O-CE 3.4Å; S281-K285 WeakPolarHBondContact O-CG 3.34Å; S281-K285 PolarHBondContact O-N 3.48Å; D282-K285 PolarHBondContact O-N 3.24Å; D282-K285 IonicContact OD1-NZ 2.92Å; D282-K285 PolarHBondContact OD1-NZ 3.27Å; K285-F288 PolarHBondContact O-N 2.94Å; K285-F289 WeakPolarHBondContact O-CD2 3.29Å; K285-F289 PolarHBondContact O-N 3.12Å; K285-D321 IonicContact NZ-OD2 3.52Å; K285-P323 HydrophobicContact CB-CB 4.39Å; K285-P323 HydrophobicContact CB-CG 4.2Å
286	E	95.3	Very high	94.3	Very high	106 Å²	106	62.3 Å²	62.3	50%	0.495	31%	0.309	S	S	.	.	H	α-helix	trans	-61.9	-46.5	177.8	-168.7	-170.5	158.2	0	0	111.4	D282 K283 F288 R290	D282-E286 WeakPolarHBondContact O-CB 3.18Å; D282-E286 PolarHBondContact O-N 3.19Å; K283-E286 PolarHBondContact O-N 3.14Å; E286-F288 VanDerWaalsContact C-N 3.34Å; E286-F288 PolarHBondContact O-N 3.31Å; E286-R290 WeakPolarHBondContact O-CB 3.4Å; E286-R290 PolarHBondContact O-N 3.29Å; E286-R290 IonicContact OE1-NH1 3Å
287	V	96.2	Very high	94.4	Very high	59 Å²	59	61.3 Å²	61.3	36%	0.358	30%	0.301	S	S	.	.	H	α-helix	trans	-62.8	-42.1	177.6	171.4	0	0	0	0	111.5	K283 E284 S291	K283-V287 VanDerWaalsContact O-CG2 3.3Å; K283-V287 WeakPolarHBondContact O-CG2 3.48Å; K283-V287 PolarHBondContact O-N 3.06Å; K283-V287 VanDerWaalsContact O-N 3.09Å; E284-V287 PolarHBondContact O-N 2.95Å; V287-S291 PolarHBondContact O-N 3.47Å; V287-S291 PolarHBondContact O-OG 3.14Å
288	F	96.9	Very high	94.3	Very high	26 Å²	26	65 Å²	65	11%	0.114	32%	0.321	C	S	.	.	H	α-helix	trans	-58.7	-56.7	178	174.1	-98.5	0	0	0	111.1	T270 F273 L274 E284 K285 E286 R290 S291 F292	T270-F288 HydrophobicContact CG2-CE2 4.42Å; T270-F288 HydrophobicContact CG2-CZ 3.96Å; F273-F288 HydrophobicContact CB-CD2 4.32Å; F273-F288 HydrophobicContact CB-CE2 3.99Å; F273-F288 HydrophobicContact CB-CZ 4.47Å; F273-F288 HydrophobicContact CD1-CB 4.34Å; F273-F288 AromaticContact CD1-CD1 3.69Å; F273-F288 HydrophobicContact CD1-CD1 3.69Å; F273-F288 AromaticContact CD1-CD2 3.64Å; F273-F288 HydrophobicContact CD1-CD2 3.64Å; F273-F288 AromaticContact CD1-CE1 3.79Å; F273-F288 HydrophobicContact CD1-CE1 3.79Å; F273-F288 AromaticContact CD1-CE2 3.75Å; F273-F288 HydrophobicContact CD1-CE2 3.75Å; F273-F288 AromaticContact CD1-CG 3.61Å; F273-F288 HydrophobicContact CD1-CG 3.61Å; F273-F288 AromaticContact CD1-CZ 3.82Å; F273-F288 HydrophobicContact CD1-CZ 3.82Å; F273-F288 AromaticContact CD2-CD2 3.97Å; F273-F288 HydrophobicContact CD2-CD2 3.97Å; F273-F288 HydrophobicContact CD2-CE2 4.49Å; F273-F288 HydrophobicContact CD2-CG 4.34Å; F273-F288 HydrophobicContact CE1-CB 3.7Å; F273-F288 AromaticContact CE1-CD1 3.47Å; F273-F288 HydrophobicContact CE1-CD1 3.47Å; F273-F288 VanDerWaalsContact CE1-CD1 3.47Å; F273-F288 AromaticContact CE1-CD2 3.9Å; F273-F288 HydrophobicContact CE1-CD2 3.9Å; F273-F288 HydrophobicContact CE1-CE1 4.03Å; F273-F288 HydrophobicContact CE1-CE2 4.4Å; F273-F288 AromaticContact CE1-CG 3.39Å; F273-F288 HydrophobicContact CE1-CG 3.39Å; F273-F288 HydrophobicContact CE1-CZ 4.46Å; F273-F288 HydrophobicContact CE2-CB 3.96Å; F273-F288 HydrophobicContact CE2-CD2 4.2Å; F273-F288 HydrophobicContact CE2-CG 4.15Å; F273-F288 AromaticContact CG-CD2 3.69Å; F273-F288 HydrophobicContact CG-CD2 3.69Å; F273-F288 AromaticContact CG-CE2 3.81Å; F273-F288 HydrophobicContact CG-CE2 3.81Å; F273-F288 HydrophobicContact CG-CG 4.09Å; F273-F288 HydrophobicContact CG-CZ 4.3Å; F273-F288 HydrophobicContact CZ-CB 3.48Å; F273-F288 VanDerWaalsContact CZ-CB 3.48Å; F273-F288 HydrophobicContact CZ-CD1 4.19Å; F273-F288 HydrophobicContact CZ-CD2 4.17Å; F273-F288 AromaticContact CZ-CG 3.7Å; F273-F288 HydrophobicContact CZ-CG 3.7Å; L274-F288 HydrophobicContact CD2-CE1 4.12Å; L274-F288 HydrophobicContact CD2-CZ 4.35Å; L274-F288 HydrophobicContact CG-CZ 4.48Å; E284-F288 VanDerWaalsContact O-CB 3.28Å; E284-F288 WeakPolarHBondContact O-CB 3.48Å; E284-F288 PolarHBondContact O-N 2.68Å; K285-F288 PolarHBondContact O-N 2.94Å; E286-F288 VanDerWaalsContact C-N 3.34Å; E286-F288 PolarHBondContact O-N 3.31Å; F288-R290 PolarHBondContact O-N 3.27Å; F288-S291 PolarHBondContact O-N 2.92Å; F288-F292 HydrophobicContact CD1-CD2 4.45Å; F288-F292 AromaticContact CE1-CD2 3.71Å; F288-F292 HydrophobicContact CE1-CD2 3.71Å; F288-F292 AromaticContact CE1-CE2 3.99Å; F288-F292 HydrophobicContact CE1-CE2 3.99Å; F288-F292 HydrophobicContact CE2-CD2 4.4Å; F288-F292 AromaticContact CZ-CD2 3.68Å; F288-F292 HydrophobicContact CZ-CD2 3.68Å; F288-F292 AromaticContact CZ-CE2 3.73Å; F288-F292 HydrophobicContact CZ-CE2 3.73Å; F288-F292 PolarHBondContact O-N 3.03Å; F288-F292 VanDerWaalsContact O-N 3.11Å
289	F	96.2	Very high	94.4	Very high	12 Å²	12	69.8 Å²	69.8	5%	0.053	33%	0.331	C	S	.	.	H	α-helix	trans	-71	-34.3	-176.8	-75.2	-65.4	0	0	0	113.8	Y277 K285 S291 F292 M313 I318 P323 T324 L327	Y277-F289 AromaticContact CE2-CE2 3.63Å; Y277-F289 HydrophobicContact CE2-CE2 3.63Å; Y277-F289 HydrophobicContact CE2-CZ 4.12Å; K285-F289 WeakPolarHBondContact O-CD2 3.29Å; K285-F289 PolarHBondContact O-N 3.12Å; F289-S291 PolarHBondContact O-N 2.82Å; F289-F292 HydrophobicContact CD1-CD2 4.41Å; F289-F292 WeakPolarHBondContact O-CB 3.21Å; F289-F292 PolarHBondContact O-N 3.02Å; F289-M313 HydrophobicContact CE1-CE 4.21Å; F289-I318 HydrophobicContact CZ-CG2 4.01Å; F289-P323 HydrophobicContact CB-CB 4.43Å; F289-P323 WeakPolarHBondContact CB-O 3.15Å; F289-P323 HydrophobicContact CD2-CB 3.64Å; F289-P323 HydrophobicContact CE2-CB 4.35Å; F289-P323 HydrophobicContact CG-CB 4.42Å; F289-T324 HydrophobicContact CE1-CG2 3.89Å; F289-T324 HydrophobicContact CE2-CG2 4.44Å; F289-T324 VanDerWaalsContact CE2-OG1 3.31Å; F289-T324 WeakPolarHBondContact CE2-OG1 3.37Å; F289-T324 HydrophobicContact CZ-CG2 3.79Å; F289-T324 WeakPolarHBondContact CZ-OG1 3.47Å; F289-L327 HydrophobicContact CD1-CD2 3.71Å; F289-L327 HydrophobicContact CE1-CD2 4.07Å
290	R	93.8	Very high	94.5	Very high	183 Å²	183	66.7 Å²	66.7	69%	0.691	31%	0.307	S	S	*	.	H	α-helix	trans	-60.8	-31.2	176.3	-177.6	171.7	65.2	-165.7	1.2	112.8	E286 F288	E286-R290 WeakPolarHBondContact O-CB 3.4Å; E286-R290 PolarHBondContact O-N 3.29Å; E286-R290 IonicContact OE1-NH1 3Å; F288-R290 PolarHBondContact O-N 3.27Å
291	S	93.3	Very high	94.5	Very high	28 Å²	28	66.6 Å²	66.6	20%	0.196	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	7.4	-179.4	62.4	0	0	0	0	114.1	V287 F288 F289 T293 E294 K295	V287-S291 PolarHBondContact O-N 3.47Å; V287-S291 PolarHBondContact O-OG 3.14Å; F288-S291 PolarHBondContact O-N 2.92Å; F289-S291 PolarHBondContact O-N 2.82Å; S291-T293 PolarHBondContact O-N 2.84Å; S291-E294 PolarHBondContact O-N 2.68Å; S291-K295 WeakPolarHBondContact O-CB 3.32Å; S291-K295 PolarHBondContact O-N 2.62Å
292	F	96	Very high	94.5	Very high	1 Å²	1	67.3 Å²	67.3	0%	0.004	32%	0.315	C	S	.	.	H	α-helix	trans	-59.9	-47.3	-171.3	-172.2	-84.1	0	0	0	112.9	T270 F288 F289 E294 V296 F297 F305 I309 M313 L327	T270-F292 HydrophobicContact CG2-CE2 4.13Å; F288-F292 HydrophobicContact CD1-CD2 4.45Å; F288-F292 AromaticContact CE1-CD2 3.71Å; F288-F292 HydrophobicContact CE1-CD2 3.71Å; F288-F292 AromaticContact CE1-CE2 3.99Å; F288-F292 HydrophobicContact CE1-CE2 3.99Å; F288-F292 HydrophobicContact CE2-CD2 4.4Å; F288-F292 AromaticContact CZ-CD2 3.68Å; F288-F292 HydrophobicContact CZ-CD2 3.68Å; F288-F292 AromaticContact CZ-CE2 3.73Å; F288-F292 HydrophobicContact CZ-CE2 3.73Å; F288-F292 PolarHBondContact O-N 3.03Å; F288-F292 VanDerWaalsContact O-N 3.11Å; F289-F292 HydrophobicContact CD1-CD2 4.41Å; F289-F292 WeakPolarHBondContact O-CB 3.21Å; F289-F292 PolarHBondContact O-N 3.02Å; F292-E294 VanDerWaalsContact C-N 3.34Å; F292-E294 PolarHBondContact O-N 3Å; F292-V296 HydrophobicContact CD1-CB 4.37Å; F292-V296 HydrophobicContact CD2-CB 4.23Å; F292-V296 HydrophobicContact CD2-CG2 4.11Å; F292-V296 HydrophobicContact CE1-CB 4.27Å; F292-V296 HydrophobicContact CE1-CG1 4.26Å; F292-V296 HydrophobicContact CE2-CB 4.14Å; F292-V296 HydrophobicContact CE2-CG1 4.02Å; F292-V296 HydrophobicContact CE2-CG2 4.25Å; F292-V296 HydrophobicContact CG-CB 4.34Å; F292-V296 HydrophobicContact CG-CG2 4.49Å; F292-V296 HydrophobicContact CZ-CB 4.15Å; F292-V296 HydrophobicContact CZ-CG1 3.82Å; F292-V296 WeakPolarHBondContact O-CA 3.48Å; F292-V296 VanDerWaalsContact O-CB 3.25Å; F292-V296 WeakPolarHBondContact O-CB 3.11Å; F292-V296 PolarHBondContact O-N 2.89Å; F292-F297 HydrophobicContact CD1-CB 4.47Å; F292-F297 HydrophobicContact CE1-CB 4.36Å; F292-F297 PolarHBondContact O-N 3.43Å; F292-F297 VanDerWaalsContact O-N 3.1Å; F292-F305 HydrophobicContact CE1-CD2 4.17Å; F292-F305 AromaticContact CE1-CE2 3.58Å; F292-F305 HydrophobicContact CE1-CE2 3.58Å; F292-F305 HydrophobicContact CE1-CZ 4.34Å; F292-F305 HydrophobicContact CZ-CD2 4.14Å; F292-F305 AromaticContact CZ-CE2 3.65Å; F292-F305 HydrophobicContact CZ-CE2 3.65Å; F292-I309 HydrophobicContact CE2-CG2 4.4Å; F292-I309 HydrophobicContact CZ-CG2 3.94Å; F292-M313 HydrophobicContact CZ-SD 4.24Å; F292-L327 HydrophobicContact CB-CD2 3.94Å; F292-L327 HydrophobicContact CD1-CD1 4.01Å; F292-L327 HydrophobicContact CD1-CD2 3.38Å; F292-L327 HydrophobicContact CD1-CG 4.35Å; F292-L327 HydrophobicContact CD2-CD2 4.01Å; F292-L327 HydrophobicContact CE1-CD2 3.83Å; F292-L327 HydrophobicContact CE2-CD2 4.38Å; F292-L327 HydrophobicContact CG-CD2 3.49Å; F292-L327 VanDerWaalsContact CG-CD2 3.49Å; F292-L327 HydrophobicContact CZ-CD2 4.31Å
293	T	93.1	Very high	94.6	Very high	19 Å²	19	66.9 Å²	66.9	12%	0.117	31%	0.311	C	S	.	.	H	α-helix	trans	-58.8	-46.4	-177.8	-46.9	0	0	0	0	111.4	S291 F297 N298 K346 L347	S291-T293 PolarHBondContact O-N 2.84Å; T293-F297 HydrophobicContact CG2-CB 4.49Å; T293-F297 HydrophobicContact CG2-CD1 4.42Å; T293-F297 PolarHBondContact O-N 3.42Å; T293-N298 WeakPolarHBondContact O-CB 3.49Å; T293-N298 PolarHBondContact O-N 2.99Å; T293-N298 PolarHBondContact O-ND2 2.65Å; T293-K346 HydrophobicContact CG2-CB 3.93Å; T293-L347 HydrophobicContact CG2-CB 4.25Å
294	E	93	Very high	94.5	Very high	88 Å²	88	59.3 Å²	59.3	41%	0.411	28%	0.278	S	S	.	.	H	α-helix	trans	-78.1	-38	-175.9	-59	-64.5	179.7	0	0	113.9	S291 F292 N298 K346	S291-E294 PolarHBondContact O-N 2.68Å; F292-E294 VanDerWaalsContact C-N 3.34Å; F292-E294 PolarHBondContact O-N 3Å; E294-N298 PolarHBondContact OE2-ND2 2.75Å; E294-K346 WeakPolarHBondContact OE1-CD 3.43Å; E294-K346 WeakPolarHBondContact OE1-CE 3.42Å; E294-K346 IonicContact OE1-NZ 2.9Å; E294-K346 PolarHBondContact OE1-NZ 3.49Å
295	K	94.2	Very high	94.5	Very high	122 Å²	122	55.3 Å²	55.3	53%	0.53	26%	0.259	S	S	.	.	H	α-helix	trans	-90.1	-23.9	-175.1	-69	-170.9	179.9	177.4	0	113.6	S291 R299	S291-K295 WeakPolarHBondContact O-CB 3.32Å; S291-K295 PolarHBondContact O-N 2.62Å; K295-R299 WeakPolarHBondContact O-CD 3.32Å
296	V	94.8	Very high	94.5	Very high	8 Å²	8	54.7 Å²	54.7	5%	0.048	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.6	-69.4	-174.2	-174.3	0	0	0	0	110	T270 F292 N298 R299 I300 I309	T270-V296 HydrophobicContact CG2-CG1 4.14Å; T270-V296 VanDerWaalsContact OG1-CG1 3.29Å; T270-V296 WeakPolarHBondContact OG1-CG1 3.48Å; T270-V296 VanDerWaalsContact OG1-CG2 3.3Å; T270-V296 WeakPolarHBondContact OG1-CG2 3.37Å; F292-V296 HydrophobicContact CD1-CB 4.37Å; F292-V296 HydrophobicContact CD2-CB 4.23Å; F292-V296 HydrophobicContact CD2-CG2 4.11Å; F292-V296 HydrophobicContact CE1-CB 4.27Å; F292-V296 HydrophobicContact CE1-CG1 4.26Å; F292-V296 HydrophobicContact CE2-CB 4.14Å; F292-V296 HydrophobicContact CE2-CG1 4.02Å; F292-V296 HydrophobicContact CE2-CG2 4.25Å; F292-V296 HydrophobicContact CG-CB 4.34Å; F292-V296 HydrophobicContact CG-CG2 4.49Å; F292-V296 HydrophobicContact CZ-CB 4.15Å; F292-V296 HydrophobicContact CZ-CG1 3.82Å; F292-V296 WeakPolarHBondContact O-CA 3.48Å; F292-V296 VanDerWaalsContact O-CB 3.25Å; F292-V296 WeakPolarHBondContact O-CB 3.11Å; F292-V296 PolarHBondContact O-N 2.89Å; V296-N298 PolarHBondContact O-N 2.83Å; V296-R299 PolarHBondContact O-N 2.8Å; V296-I300 HydrophobicContact CG1-CD1 3.86Å; V296-I300 WeakPolarHBondContact O-CG1 3.39Å; V296-I300 PolarHBondContact O-N 2.76Å; V296-I309 HydrophobicContact CG1-CD1 4.08Å
297	F	94.3	Very high	94.4	Very high	21 Å²	21	52.4 Å²	52.4	9%	0.092	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-56.5	-47.2	-170.6	-175.8	-96	0	0	0	112.4	F292 T293 R299 F305 L347 T348 I349	F292-F297 HydrophobicContact CD1-CB 4.47Å; F292-F297 HydrophobicContact CE1-CB 4.36Å; F292-F297 PolarHBondContact O-N 3.43Å; F292-F297 VanDerWaalsContact O-N 3.1Å; T293-F297 HydrophobicContact CG2-CB 4.49Å; T293-F297 HydrophobicContact CG2-CD1 4.42Å; T293-F297 PolarHBondContact O-N 3.42Å; F297-R299 PolarHBondContact O-N 3.14Å; F297-R299 VanDerWaalsContact O-N 3.17Å; F297-F305 AromaticContact CD2-CD1 3.72Å; F297-F305 HydrophobicContact CD2-CD1 3.72Å; F297-F305 HydrophobicContact CD2-CD2 4.29Å; F297-F305 AromaticContact CD2-CE1 3.92Å; F297-F305 HydrophobicContact CD2-CE1 3.92Å; F297-F305 HydrophobicContact CD2-CE2 4.49Å; F297-F305 AromaticContact CD2-CG 3.9Å; F297-F305 HydrophobicContact CD2-CG 3.9Å; F297-F305 HydrophobicContact CD2-CZ 4.31Å; F297-F305 AromaticContact CE2-CD1 3.59Å; F297-F305 HydrophobicContact CE2-CD1 3.59Å; F297-F305 AromaticContact CE2-CE1 3.85Å; F297-F305 HydrophobicContact CE2-CE1 3.85Å; F297-F305 HydrophobicContact CE2-CG 4.18Å; F297-L347 HydrophobicContact CD1-CG 3.93Å; F297-L347 HydrophobicContact CD2-CD1 4.22Å; F297-L347 HydrophobicContact CD2-CG 4.05Å; F297-L347 HydrophobicContact CE1-CB 4.38Å; F297-L347 HydrophobicContact CE1-CD2 4.39Å; F297-L347 HydrophobicContact CE1-CG 3.8Å; F297-L347 HydrophobicContact CE2-CD1 4.49Å; F297-L347 HydrophobicContact CE2-CD2 3.98Å; F297-L347 HydrophobicContact CE2-CG 3.91Å; F297-L347 HydrophobicContact CG-CD1 4.25Å; F297-L347 HydrophobicContact CG-CG 4.06Å; F297-L347 HydrophobicContact CZ-CD2 3.92Å; F297-L347 HydrophobicContact CZ-CG 3.8Å; F297-T348 WeakPolarHBondContact CZ-O 3.42Å; F297-I349 HydrophobicContact CE2-CG1 4.47Å; F297-I349 HydrophobicContact CZ-CG1 4.45Å
298	N	93.9	Very high	94.2	Very high	82 Å²	82	50.3 Å²	50.3	44%	0.439	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-71.5	-6.1	179.9	-68	-11.4	0	0	0	114.2	T293 E294 V296	T293-N298 WeakPolarHBondContact O-CB 3.49Å; T293-N298 PolarHBondContact O-N 2.99Å; T293-N298 PolarHBondContact O-ND2 2.65Å; E294-N298 PolarHBondContact OE2-ND2 2.75Å; V296-N298 PolarHBondContact O-N 2.83Å
299	R	93.9	Very high	94.2	Very high	175 Å²	175	49 Å²	49	66%	0.66	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-116.2	-1.3	-174.8	-60.9	-166	-179.6	-160	-7.6	114.2	P266 K295 V296 F297	P266-R299 HydrophobicContact CB-CB 4.26Å; P266-R299 HydrophobicContact CG-CB 3.96Å; K295-R299 WeakPolarHBondContact O-CD 3.32Å; V296-R299 PolarHBondContact O-N 2.8Å; F297-R299 PolarHBondContact O-N 3.14Å; F297-R299 VanDerWaalsContact O-N 3.17Å
300	I	93.9	Very high	94.2	Very high	26 Å²	26	48.5 Å²	48.5	13%	0.133	22%	0.222	C	C	.	.	S	Bend	trans	-129.1	160.2	177.3	67.4	-177.6	0	0	0	108.8	P266 V296 L304 F305 I309	P266-I300 HydrophobicContact CB-CG2 4.1Å; V296-I300 HydrophobicContact CG1-CD1 3.86Å; V296-I300 WeakPolarHBondContact O-CG1 3.39Å; V296-I300 PolarHBondContact O-N 2.76Å; I300-L304 HydrophobicContact CB-CD2 4.46Å; I300-F305 HydrophobicContact CD1-CB 3.77Å; I300-F305 HydrophobicContact CD1-CD2 4.44Å; I300-F305 HydrophobicContact CG1-CB 4.16Å; I300-I309 HydrophobicContact CD1-CD1 3.26Å
301	S	93.6	Very high	94.2	Very high	62 Å²	62	41.8 Å²	41.8	43%	0.434	20%	0.202	S	C	.	.			trans	-68	145.4	177	67.9	0	0	0	0	111.3	E303 L304 F305	S301-E303 VanDerWaalsContact C-N 3.26Å; S301-E303 PolarHBondContact O-N 2.95Å; S301-L304 PolarHBondContact O-N 2.95Å; S301-L304 VanDerWaalsContact O-N 3.14Å; S301-L304 WeakPolarHBondContact OG-CB 3.21Å; S301-L304 PolarHBondContact OG-N 2.79Å; S301-F305 PolarHBondContact O-N 3.35Å
302	E	94	Very high	94.3	Very high	54 Å²	54	41.1 Å²	41.1	25%	0.252	20%	0.196	S	C	.	.	H	α-helix	trans	-54.5	-44.2	177.1	-176	-170.7	123.3	0	0	111.2	L304 F305 C306 I349 S350 N353	E302-L304 PolarHBondContact O-N 2.73Å; E302-F305 PolarHBondContact O-N 2.9Å; E302-C306 WeakPolarHBondContact O-CB 3.3Å; E302-C306 PolarHBondContact O-N 2.91Å; E302-C306 PolarHBondContact O-SG 2.91Å; E302-C306 VanDerWaalsContact O-SG 3.4Å; E302-I349 HydrophobicContact CG-CG2 4.3Å; E302-I349 WeakPolarHBondContact OE1-CG2 3.47Å; E302-S350 WeakPolarHBondContact OE1-CB 3.4Å; E302-S350 PolarHBondContact OE1-N 3.21Å; E302-S350 PolarHBondContact OE1-OG 2.69Å; E302-S350 PolarHBondContact OE2-N 2.9Å; E302-N353 WeakPolarHBondContact OE1-CB 3.32Å; E302-N353 PolarHBondContact OE1-ND2 3.02Å
303	E	93.6	Very high	94.2	Very high	73 Å²	73	41.1 Å²	41.1	34%	0.341	20%	0.196	S	C	.	.	H	α-helix	trans	-65	-40.1	179.3	-179.4	154	-155.5	0	0	112	S301 C306 R307 K356 F357	S301-E303 VanDerWaalsContact C-N 3.26Å; S301-E303 PolarHBondContact O-N 2.95Å; E303-C306 PolarHBondContact O-N 3.42Å; E303-R307 WeakPolarHBondContact O-CB 3.45Å; E303-R307 PolarHBondContact O-N 2.9Å; E303-K356 IonicContact OE1-NZ 2.84Å; E303-K356 PolarHBondContact OE1-NZ 2.92Å; E303-F357 HydrophobicContact CG-CE2 3.94Å; E303-F357 HydrophobicContact CG-CZ 4.04Å
304	L	93.2	Very high	94.3	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.016	19%	0.191	C	C	.	.	H	α-helix	trans	-65.3	-42.7	176.5	-174.6	66.9	0	0	0	111.7	D127 Y267 I300 S301 E302 R307 N308	D127-L304 HydrophobicContact CB-CD1 3.78Å; D127-L304 HydrophobicContact CB-CD2 3.96Å; Y267-L304 HydrophobicContact CD1-CD2 3.88Å; Y267-L304 HydrophobicContact CD2-CD1 4.4Å; Y267-L304 HydrophobicContact CD2-CD2 3.76Å; Y267-L304 HydrophobicContact CD2-CG 3.95Å; Y267-L304 HydrophobicContact CE1-CD1 4.11Å; Y267-L304 HydrophobicContact CE1-CD2 4.18Å; Y267-L304 HydrophobicContact CE2-CD1 3.85Å; Y267-L304 HydrophobicContact CE2-CD2 4.07Å; Y267-L304 HydrophobicContact CE2-CG 3.85Å; Y267-L304 HydrophobicContact CG-CD2 3.67Å; Y267-L304 HydrophobicContact CG-CG 4.36Å; I300-L304 HydrophobicContact CB-CD2 4.46Å; S301-L304 PolarHBondContact O-N 2.95Å; S301-L304 VanDerWaalsContact O-N 3.14Å; S301-L304 WeakPolarHBondContact OG-CB 3.21Å; S301-L304 PolarHBondContact OG-N 2.79Å; E302-L304 PolarHBondContact O-N 2.73Å; L304-R307 PolarHBondContact O-N 3.07Å; L304-N308 PolarHBondContact O-N 3.49Å
305	F	96.1	Very high	94.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.19	C	C	.	.	I	π-helix	trans	-57.6	-54.5	173.6	166.8	-107.2	0	0	0	111.3	F292 F297 I300 S301 E302 R307 I309 L310 M313 I331 I349	F292-F305 HydrophobicContact CE1-CD2 4.17Å; F292-F305 AromaticContact CE1-CE2 3.58Å; F292-F305 HydrophobicContact CE1-CE2 3.58Å; F292-F305 HydrophobicContact CE1-CZ 4.34Å; F292-F305 HydrophobicContact CZ-CD2 4.14Å; F292-F305 AromaticContact CZ-CE2 3.65Å; F292-F305 HydrophobicContact CZ-CE2 3.65Å; F297-F305 AromaticContact CD2-CD1 3.72Å; F297-F305 HydrophobicContact CD2-CD1 3.72Å; F297-F305 HydrophobicContact CD2-CD2 4.29Å; F297-F305 AromaticContact CD2-CE1 3.92Å; F297-F305 HydrophobicContact CD2-CE1 3.92Å; F297-F305 HydrophobicContact CD2-CE2 4.49Å; F297-F305 AromaticContact CD2-CG 3.9Å; F297-F305 HydrophobicContact CD2-CG 3.9Å; F297-F305 HydrophobicContact CD2-CZ 4.31Å; F297-F305 AromaticContact CE2-CD1 3.59Å; F297-F305 HydrophobicContact CE2-CD1 3.59Å; F297-F305 AromaticContact CE2-CE1 3.85Å; F297-F305 HydrophobicContact CE2-CE1 3.85Å; F297-F305 HydrophobicContact CE2-CG 4.18Å; I300-F305 HydrophobicContact CD1-CB 3.77Å; I300-F305 HydrophobicContact CD1-CD2 4.44Å; I300-F305 HydrophobicContact CG1-CB 4.16Å; S301-F305 PolarHBondContact O-N 3.35Å; E302-F305 PolarHBondContact O-N 2.9Å; F305-R307 VanDerWaalsContact C-N 3.31Å; F305-R307 PolarHBondContact O-N 2.88Å; F305-I309 HydrophobicContact CD2-CB 3.95Å; F305-I309 HydrophobicContact CD2-CD1 4.42Å; F305-I309 HydrophobicContact CD2-CG2 3.95Å; F305-I309 HydrophobicContact CE2-CB 4.41Å; F305-I309 HydrophobicContact CE2-CG2 4.01Å; F305-I309 PolarHBondContact O-N 2.64Å; F305-L310 HydrophobicContact CE1-CB 4.4Å; F305-L310 HydrophobicContact CE1-CD1 4.47Å; F305-L310 HydrophobicContact CZ-CB 4.23Å; F305-L310 HydrophobicContact CZ-CD1 4.01Å; F305-L310 PolarHBondContact O-N 3.27Å; F305-M313 HydrophobicContact CE2-SD 4.29Å; F305-I331 HydrophobicContact CZ-CD1 3.95Å; F305-I331 HydrophobicContact CZ-CG1 4.44Å; F305-I349 HydrophobicContact CE1-CD1 4.28Å
306	C	96.1	Very high	94	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.184	C	C	.	.	I	π-helix	trans	-63.7	-36.1	-177.4	-75.3	0	0	0	0	112.6	E302 E303 P311 F357	E302-C306 WeakPolarHBondContact O-CB 3.3Å; E302-C306 PolarHBondContact O-N 2.91Å; E302-C306 PolarHBondContact O-SG 2.91Å; E302-C306 VanDerWaalsContact O-SG 3.4Å; E303-C306 PolarHBondContact O-N 3.42Å; C306-P311 WeakPolarHBondContact O-CD 3.23Å; C306-F357 HydrophobicContact CB-CB 3.8Å; C306-F357 HydrophobicContact CB-CD2 3.62Å; C306-F357 HydrophobicContact CB-CE2 4.38Å; C306-F357 HydrophobicContact CB-CG 3.85Å
307	R	93.1	Very high	93.7	Very high	59 Å²	59	40.6 Å²	40.6	22%	0.223	20%	0.2	C	C	.	.	I	π-helix	trans	-78	-44.6	-177	-168.7	-178.8	69.4	-124.6	15.2	112.9	D128 E303 L304 F305 P311 F357	D128-R307 IonicContact OD1-CZ 3.74Å; D128-R307 IonicContact OD1-NH2 2.82Å; D128-R307 PolarHBondContact OD1-NH2 3.2Å; D128-R307 IonicContact OD2-NH2 2.72Å; D128-R307 PolarHBondContact OD2-NH2 3.25Å; E303-R307 WeakPolarHBondContact O-CB 3.45Å; E303-R307 PolarHBondContact O-N 2.9Å; L304-R307 PolarHBondContact O-N 3.07Å; F305-R307 VanDerWaalsContact C-N 3.31Å; F305-R307 PolarHBondContact O-N 2.88Å; R307-P311 WeakPolarHBondContact O-CG 3.03Å; R307-F357 HydrophobicContact CB-CD1 4.38Å; R307-F357 HydrophobicContact CB-CE1 3.86Å; R307-F357 HydrophobicContact CB-CZ 4.1Å; R307-F357 HydrophobicContact CG-CE1 3.86Å; R307-F357 HydrophobicContact CG-CZ 4.33Å
308	N	92.5	Very high	93.7	Very high	14 Å²	14	39.7 Å²	39.7	8%	0.075	20%	0.196	C	C	.	.	I	π-helix	trans	-115.8	-29.4	-164.8	-68.3	-3	0	0	0	114.1	Y267 L304	Y267-N308 HydrophobicContact CE2-CB 3.96Å; Y267-N308 PolarHBondContact OH-ND2 2.93Å; L304-N308 PolarHBondContact O-N 3.49Å
309	I	95.8	Very high	93.7	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.175	C	C	.	.	I	π-helix	trans	-95.3	-48.7	-178.5	-65.5	174.1	0	0	0	111.4	Y267 T270 L271 L274 F292 V296 I300 F305 K312 M313	Y267-I309 HydrophobicContact CD2-CD1 4.15Å; Y267-I309 HydrophobicContact CD2-CG1 4.33Å; Y267-I309 HydrophobicContact CE2-CG1 4.43Å; T270-I309 HydrophobicContact CG2-CD1 3.72Å; T270-I309 HydrophobicContact CG2-CG1 4.04Å; T270-I309 HydrophobicContact CG2-CG2 3.75Å; L271-I309 HydrophobicContact CD2-CG1 4.17Å; L274-I309 HydrophobicContact CD1-CG2 3.8Å; F292-I309 HydrophobicContact CE2-CG2 4.4Å; F292-I309 HydrophobicContact CZ-CG2 3.94Å; V296-I309 HydrophobicContact CG1-CD1 4.08Å; I300-I309 HydrophobicContact CD1-CD1 3.26Å; F305-I309 HydrophobicContact CD2-CB 3.95Å; F305-I309 HydrophobicContact CD2-CD1 4.42Å; F305-I309 HydrophobicContact CD2-CG2 3.95Å; F305-I309 HydrophobicContact CE2-CB 4.41Å; F305-I309 HydrophobicContact CE2-CG2 4.01Å; F305-I309 PolarHBondContact O-N 2.64Å; I309-K312 WeakPolarHBondContact O-CB 3.25Å; I309-K312 PolarHBondContact O-N 2.91Å; I309-K312 VanDerWaalsContact O-N 3.11Å; I309-M313 HydrophobicContact CG2-SD 4.43Å; I309-M313 PolarHBondContact O-N 3.15Å
310	L	96	Very high	93.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-57	-42.8	-175.1	-176.7	63.5	0	0	0	113.3	F305 K312 M313 F314 I331 V358 L361	F305-L310 HydrophobicContact CE1-CB 4.4Å; F305-L310 HydrophobicContact CE1-CD1 4.47Å; F305-L310 HydrophobicContact CZ-CB 4.23Å; F305-L310 HydrophobicContact CZ-CD1 4.01Å; F305-L310 PolarHBondContact O-N 3.27Å; L310-K312 PolarHBondContact O-N 3.06Å; L310-M313 HydrophobicContact CD1-SD 4.32Å; L310-M313 WeakPolarHBondContact O-CB 3.47Å; L310-M313 PolarHBondContact O-N 2.95Å; L310-F314 HydrophobicContact CD1-CD2 4.18Å; L310-F314 HydrophobicContact CD1-CE2 3.79Å; L310-F314 HydrophobicContact CG-CD2 4.3Å; L310-F314 HydrophobicContact CG-CE2 4.04Å; L310-F314 WeakPolarHBondContact O-CD2 3.49Å; L310-F314 PolarHBondContact O-N 2.79Å; L310-I331 HydrophobicContact CD1-CD1 3.78Å; L310-I331 HydrophobicContact CD1-CG2 4.2Å; L310-I331 HydrophobicContact CD2-CG2 4.45Å; L310-V358 HydrophobicContact CD2-CB 4.49Å; L310-V358 HydrophobicContact CD2-CG2 3.71Å; L310-L361 HydrophobicContact CD2-CD1 4.16Å; L310-L361 HydrophobicContact CG-CD1 4Å
311	P	95.1	Very high	93.5	Very high	43 Å²	43	28.3 Å²	28.3	28%	0.279	15%	0.149	S	C	.	.	H	α-helix	trans	-59	-33.7	178.3	-26	36.7	0	0	0	113.5	C306 R307 M313 F314 L361	C306-P311 WeakPolarHBondContact O-CD 3.23Å; R307-P311 WeakPolarHBondContact O-CG 3.03Å; P311-M313 VanDerWaalsContact C-N 3.33Å; P311-M313 PolarHBondContact O-N 3.34Å; P311-F314 WeakPolarHBondContact O-CB 3.39Å; P311-F314 PolarHBondContact O-N 3.25Å; P311-F314 VanDerWaalsContact O-N 3.09Å; P311-L361 HydrophobicContact CB-CD1 4.5Å; P311-L361 HydrophobicContact CB-CD2 4.27Å; P311-L361 HydrophobicContact CG-CD1 4.25Å
312	K	93.5	Very high	93.3	Very high	14 Å²	14	33.8 Å²	33.8	6%	0.061	16%	0.161	C	C	.	.	H	α-helix	trans	-65.3	-38	175.5	-68.3	-177	172.5	-73.1	0	112	Y166 L271 L274 D275 I309 L310 F314 E315 I318	Y166-K312 WeakPolarHBondContact OH-CE 3.43Å; Y166-K312 PolarHBondContact OH-NZ 2.91Å; L271-K312 HydrophobicContact CD2-CD 3.91Å; L274-K312 HydrophobicContact CB-CB 4.31Å; L274-K312 HydrophobicContact CB-CD 3.97Å; L274-K312 HydrophobicContact CD1-CB 4.01Å; L274-K312 HydrophobicContact CD1-CD 4.21Å; D275-K312 IonicContact OD1-NZ 3.18Å; D275-K312 PolarHBondContact OD1-NZ 3.19Å; I309-K312 WeakPolarHBondContact O-CB 3.25Å; I309-K312 PolarHBondContact O-N 2.91Å; I309-K312 VanDerWaalsContact O-N 3.11Å; L310-K312 PolarHBondContact O-N 3.06Å; K312-F314 PolarHBondContact O-N 3.21Å; K312-E315 WeakPolarHBondContact O-CB 3.49Å; K312-E315 WeakPolarHBondContact O-CG 3.44Å; K312-E315 PolarHBondContact O-N 3.24Å; K312-I318 WeakPolarHBondContact O-CD1 3.33Å
313	M	95.3	Very high	93.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64.6	-20.4	175.2	-61.9	174.3	53.8	0	0	112.7	F289 F292 F305 I309 L310 P311 I318 F319 T324 L327 L328 I331	F289-M313 HydrophobicContact CE1-CE 4.21Å; F292-M313 HydrophobicContact CZ-SD 4.24Å; F305-M313 HydrophobicContact CE2-SD 4.29Å; I309-M313 HydrophobicContact CG2-SD 4.43Å; I309-M313 PolarHBondContact O-N 3.15Å; L310-M313 HydrophobicContact CD1-SD 4.32Å; L310-M313 WeakPolarHBondContact O-CB 3.47Å; L310-M313 PolarHBondContact O-N 2.95Å; P311-M313 VanDerWaalsContact C-N 3.33Å; P311-M313 PolarHBondContact O-N 3.34Å; M313-I318 HydrophobicContact CB-CG2 4.48Å; M313-F319 VanDerWaalsContact O-CA 3.29Å; M313-F319 WeakPolarHBondContact O-CA 3.46Å; M313-F319 WeakPolarHBondContact O-CB 3Å; M313-F319 PolarHBondContact O-N 2.85Å; M313-T324 HydrophobicContact CE-CG2 3.96Å; M313-L327 HydrophobicContact CE-CB 4.46Å; M313-L327 HydrophobicContact CE-CD2 3.41Å; M313-L327 VanDerWaalsContact CE-CD2 3.41Å; M313-L327 HydrophobicContact CE-CG 3.85Å; M313-L327 HydrophobicContact SD-CD2 4.22Å; M313-L328 HydrophobicContact CE-CD2 4.21Å; M313-I331 HydrophobicContact CE-CD1 3.8Å
314	F	94.7	Very high	93.1	Very high	6 Å²	6	29.1 Å²	29.1	3%	0.026	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-3.4	173.1	-82.7	-114.3	0	0	0	112.9	L310 P311 K312 F319 L328 F332 L361 I362 K365	L310-F314 HydrophobicContact CD1-CD2 4.18Å; L310-F314 HydrophobicContact CD1-CE2 3.79Å; L310-F314 HydrophobicContact CG-CD2 4.3Å; L310-F314 HydrophobicContact CG-CE2 4.04Å; L310-F314 WeakPolarHBondContact O-CD2 3.49Å; L310-F314 PolarHBondContact O-N 2.79Å; P311-F314 WeakPolarHBondContact O-CB 3.39Å; P311-F314 PolarHBondContact O-N 3.25Å; P311-F314 VanDerWaalsContact O-N 3.09Å; K312-F314 PolarHBondContact O-N 3.21Å; F314-F319 HydrophobicContact CD1-CD2 4.18Å; F314-F319 HydrophobicContact CD1-CE2 4.05Å; F314-F319 AromaticContact CE1-CE2 3.99Å; F314-F319 HydrophobicContact CE1-CE2 3.99Å; F314-F319 HydrophobicContact CG-CD2 4.2Å; F314-F319 HydrophobicContact CG-CE2 4.47Å; F314-F319 HydrophobicContact CZ-CE2 4.35Å; F314-L328 HydrophobicContact CD2-CD2 4.46Å; F314-L328 HydrophobicContact CE2-CD2 4.02Å; F314-F332 HydrophobicContact CE1-CE1 4.39Å; F314-F332 AromaticContact CZ-CE1 3.83Å; F314-F332 HydrophobicContact CZ-CE1 3.83Å; F314-F332 HydrophobicContact CZ-CZ 4.28Å; F314-L361 HydrophobicContact CB-CD2 4.48Å; F314-L361 HydrophobicContact CD1-CB 3.62Å; F314-L361 HydrophobicContact CD2-CB 4.45Å; F314-L361 HydrophobicContact CD2-CD1 4.01Å; F314-L361 HydrophobicContact CE1-CB 3.56Å; F314-L361 HydrophobicContact CE2-CB 4.39Å; F314-L361 HydrophobicContact CE2-CD1 4.16Å; F314-L361 HydrophobicContact CG-CB 4.08Å; F314-L361 HydrophobicContact CG-CD1 4.23Å; F314-L361 HydrophobicContact CZ-CB 3.96Å; F314-L361 HydrophobicContact CZ-CD1 4.5Å; F314-I362 HydrophobicContact CE1-CG1 4.4Å; F314-I362 HydrophobicContact CZ-CG1 4.44Å; F314-K365 HydrophobicContact CD1-CD 4.41Å; F314-K365 HydrophobicContact CD1-CG 3.6Å; F314-K365 HydrophobicContact CE1-CG 4.05Å; F314-K365 WeakPolarHBondContact O-CE 3.37Å; F314-K365 PolarHBondContact O-NZ 3.49Å
315	E	92.1	Very high	92.8	Very high	80 Å²	80	31 Å²	31	37%	0.374	15%	0.15	S	C	.	.	S	Bend	trans	-63.5	139.3	169.3	-67.7	-175.6	-170.9	0	0	110.7	K312 T317 I318 F319	K312-E315 WeakPolarHBondContact O-CB 3.49Å; K312-E315 WeakPolarHBondContact O-CG 3.44Å; K312-E315 PolarHBondContact O-N 3.24Å; E315-T317 PolarHBondContact O-N 2.99Å; E315-T317 VanDerWaalsContact O-N 3.08Å; E315-I318 PolarHBondContact O-N 3.31Å; E315-F319 WeakPolarHBondContact O-CB 3.35Å; E315-F319 PolarHBondContact O-N 3.15Å
316	N	89	Confident	92.5	Very high	76 Å²	76	35.4 Å²	35.4	41%	0.406	18%	0.178	S	C	.	.	H	α-helix	trans	-58	-31.6	-171.4	-71	-1.8	0	0	0	113.4	I318 K365	N316-I318 VanDerWaalsContact C-N 3.26Å; N316-I318 PolarHBondContact O-N 2.93Å; N316-K365 PolarHBondContact OD1-NZ 3.16Å
317	T	87.7	Confident	92.4	Very high	64 Å²	64	35.7 Å²	35.7	39%	0.393	18%	0.179	S	C	.	.	H	α-helix	trans	-60.7	-35.3	176.1	43.3	0	0	0	0	112.2	V278 E315 K482	V278-T317 HydrophobicContact CG2-CG2 4.25Å; E315-T317 PolarHBondContact O-N 2.99Å; E315-T317 VanDerWaalsContact O-N 3.08Å; T317-K482 PolarHBondContact O-NZ 3.06Å
318	I	94.2	Very high	92.5	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.01	17%	0.169	C	C	.	.	H	α-helix	trans	-99.1	-45.9	-175.1	-59.5	169.5	0	0	0	111.1	L274 Y277 F289 K312 M313 E315 N316 L320 D321 T324	L274-I318 HydrophobicContact CB-CD1 4.45Å; L274-I318 HydrophobicContact CD2-CD1 4.06Å; Y277-I318 HydrophobicContact CD1-CD1 4.39Å; Y277-I318 HydrophobicContact CD1-CG1 3.55Å; Y277-I318 HydrophobicContact CD2-CD1 4.36Å; Y277-I318 HydrophobicContact CD2-CG1 4.09Å; Y277-I318 HydrophobicContact CE1-CB 4.44Å; Y277-I318 HydrophobicContact CE1-CG1 3.87Å; Y277-I318 HydrophobicContact CE2-CG1 4.38Å; Y277-I318 HydrophobicContact CE2-CG2 4.38Å; Y277-I318 HydrophobicContact CG-CD1 4.04Å; Y277-I318 HydrophobicContact CG-CG1 3.67Å; F289-I318 HydrophobicContact CZ-CG2 4.01Å; K312-I318 WeakPolarHBondContact O-CD1 3.33Å; M313-I318 HydrophobicContact CB-CG2 4.48Å; E315-I318 PolarHBondContact O-N 3.31Å; N316-I318 VanDerWaalsContact C-N 3.26Å; N316-I318 PolarHBondContact O-N 2.93Å; I318-L320 VanDerWaalsContact C-N 3.31Å; I318-L320 PolarHBondContact O-N 3.1Å; I318-D321 VanDerWaalsContact O-CB 3.29Å; I318-D321 WeakPolarHBondContact O-CB 3.36Å; I318-D321 PolarHBondContact O-N 3.06Å; I318-T324 HydrophobicContact CG2-CG2 3.91Å; I318-T324 WeakPolarHBondContact O-CB 3.47Å; I318-T324 PolarHBondContact O-OG1 2.9Å
319	F	93.9	Very high	92.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-56.5	-42.6	-175.2	-174.7	-95.9	0	0	0	112.9	M313 F314 E315 D321 L328 F332 T373 L376 L377	M313-F319 VanDerWaalsContact O-CA 3.29Å; M313-F319 WeakPolarHBondContact O-CA 3.46Å; M313-F319 WeakPolarHBondContact O-CB 3Å; M313-F319 PolarHBondContact O-N 2.85Å; F314-F319 HydrophobicContact CD1-CD2 4.18Å; F314-F319 HydrophobicContact CD1-CE2 4.05Å; F314-F319 AromaticContact CE1-CE2 3.99Å; F314-F319 HydrophobicContact CE1-CE2 3.99Å; F314-F319 HydrophobicContact CG-CD2 4.2Å; F314-F319 HydrophobicContact CG-CE2 4.47Å; F314-F319 HydrophobicContact CZ-CE2 4.35Å; E315-F319 WeakPolarHBondContact O-CB 3.35Å; E315-F319 PolarHBondContact O-N 3.15Å; F319-D321 VanDerWaalsContact C-N 3.31Å; F319-L328 HydrophobicContact CD2-CD1 3.58Å; F319-L328 HydrophobicContact CD2-CD2 4.22Å; F319-L328 HydrophobicContact CE2-CD1 3.84Å; F319-L328 HydrophobicContact CE2-CD2 4.26Å; F319-L328 HydrophobicContact CG-CD1 4.16Å; F319-F332 AromaticContact CE2-CZ 3.9Å; F319-F332 HydrophobicContact CE2-CZ 3.9Å; F319-F332 HydrophobicContact CZ-CZ 4.06Å; F319-T373 HydrophobicContact CD1-CG2 4.5Å; F319-T373 HydrophobicContact CE1-CG2 3.95Å; F319-L376 HydrophobicContact CD1-CD2 4.25Å; F319-L376 HydrophobicContact CE1-CD2 3.68Å; F319-L376 HydrophobicContact CZ-CD2 3.85Å; F319-L377 HydrophobicContact CZ-CD2 4.17Å
320	L	91.5	Very high	92.4	Very high	21 Å²	21	37.3 Å²	37.3	11%	0.11	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-0.1	179.6	-57.4	175.7	0	0	0	112.9	I318 H372 T373 A479 K482	I318-L320 VanDerWaalsContact C-N 3.31Å; I318-L320 PolarHBondContact O-N 3.1Å; L320-H372 HydrophobicContact CD2-CB 4.26Å; L320-T373 WeakPolarHBondContact CD2-OG1 3.06Å; L320-A479 HydrophobicContact CD1-CB 4.32Å; L320-K482 VanDerWaalsContact C-NZ 3.28Å
321	D	92.2	Very high	92.3	Very high	24 Å²	24	37.3 Å²	37.3	13%	0.128	19%	0.193	C	C	.	.	S	Bend	trans	-78	136.6	178.3	-151.9	-4.3	0	0	0	110.7	Y277 K285 I318 F319 P323 T324 K482	Y277-D321 HydrophobicContact CE1-CB 4.28Å; Y277-D321 WeakPolarHBondContact CE1-OD2 3.45Å; Y277-D321 VanDerWaalsContact CZ-OD2 3.26Å; Y277-D321 WeakPolarHBondContact OH-CB 3.27Å; Y277-D321 PolarHBondContact OH-OD2 2.94Å; K285-D321 IonicContact NZ-OD2 3.52Å; I318-D321 VanDerWaalsContact O-CB 3.29Å; I318-D321 WeakPolarHBondContact O-CB 3.36Å; I318-D321 PolarHBondContact O-N 3.06Å; F319-D321 VanDerWaalsContact C-N 3.31Å; D321-P323 WeakPolarHBondContact OD1-CD 3.26Å; D321-T324 WeakPolarHBondContact O-CB 3.24Å; D321-T324 PolarHBondContact O-N 2.68Å; D321-T324 VanDerWaalsContact O-N 3.14Å; D321-K482 VanDerWaalsContact CA-NZ 3.28Å
322	Y	90.5	Very high	92.3	Very high	177 Å²	177	35.3 Å²	35.3	69%	0.694	18%	0.18	S	C	*	.	H	α-helix	trans	-58.6	-43.8	-172.9	175.7	-99.8	0	0	0	113.2	T324 Q325	Y322-T324 PolarHBondContact O-N 3.38Å; Y322-T324 VanDerWaalsContact O-N 3.15Å; Y322-Q325 PolarHBondContact O-N 2.57Å; Y322-Q325 VanDerWaalsContact O-N 3.14Å
323	P	90.6	Very high	92.3	Very high	29 Å²	29	38 Å²	38	19%	0.188	19%	0.192	C	C	.	.	H	α-helix	trans	-57.2	-30	177.6	-28.7	38.8	0	0	0	114.5	K285 F289 D321	K285-P323 HydrophobicContact CB-CB 4.39Å; K285-P323 HydrophobicContact CB-CG 4.2Å; F289-P323 HydrophobicContact CB-CB 4.43Å; F289-P323 WeakPolarHBondContact CB-O 3.15Å; F289-P323 HydrophobicContact CD2-CB 3.64Å; F289-P323 HydrophobicContact CE2-CB 4.35Å; F289-P323 HydrophobicContact CG-CB 4.42Å; D321-P323 WeakPolarHBondContact OD1-CD 3.26Å
324	T	91.5	Very high	92.1	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-76.9	-27.2	-178.3	-40.9	0	0	0	0	112.4	F289 M313 I318 D321 Y322 T326 L327 L328	F289-T324 HydrophobicContact CE1-CG2 3.89Å; F289-T324 HydrophobicContact CE2-CG2 4.44Å; F289-T324 VanDerWaalsContact CE2-OG1 3.31Å; F289-T324 WeakPolarHBondContact CE2-OG1 3.37Å; F289-T324 HydrophobicContact CZ-CG2 3.79Å; F289-T324 WeakPolarHBondContact CZ-OG1 3.47Å; M313-T324 HydrophobicContact CE-CG2 3.96Å; I318-T324 HydrophobicContact CG2-CG2 3.91Å; I318-T324 WeakPolarHBondContact O-CB 3.47Å; I318-T324 PolarHBondContact O-OG1 2.9Å; D321-T324 WeakPolarHBondContact O-CB 3.24Å; D321-T324 PolarHBondContact O-N 2.68Å; D321-T324 VanDerWaalsContact O-N 3.14Å; Y322-T324 PolarHBondContact O-N 3.38Å; Y322-T324 VanDerWaalsContact O-N 3.15Å; T324-T326 VanDerWaalsContact C-N 3.35Å; T324-T326 PolarHBondContact O-N 3.34Å; T324-L327 PolarHBondContact O-N 2.99Å; T324-L327 VanDerWaalsContact O-N 3.08Å; T324-L328 HydrophobicContact CG2-CD1 3.75Å; T324-L328 HydrophobicContact CG2-CG 3.89Å; T324-L328 PolarHBondContact O-N 3.13Å
325	Q	88.3	Confident	91.9	Very high	41 Å²	41	37.8 Å²	37.8	19%	0.192	19%	0.192	C	C	.	.	H	α-helix	trans	-62.3	-38.2	-167.2	-70.1	177.5	12.6	0	0	113.2	Y322 L327 L328 A329 H372 L376	Y322-Q325 PolarHBondContact O-N 2.57Å; Y322-Q325 VanDerWaalsContact O-N 3.14Å; Q325-L327 VanDerWaalsContact C-N 3.31Å; Q325-L327 PolarHBondContact O-N 3.3Å; Q325-L328 PolarHBondContact O-N 3.19Å; Q325-A329 WeakPolarHBondContact O-CB 3.48Å; Q325-A329 PolarHBondContact O-N 2.65Å; Q325-H372 PolarHBondContact NE2-NE2 3.41Å; Q325-L376 HydrophobicContact CG-CD1 4.4Å; Q325-L376 HydrophobicContact CG-CD2 4.31Å
326	T	89.4	Confident	91.4	Very high	93 Å²	93	39.9 Å²	39.9	57%	0.571	20%	0.202	S	C	*	.	H	α-helix	trans	-62.3	-41.4	177.3	-57.9	0	0	0	0	111.4	T324 Q330	T324-T326 VanDerWaalsContact C-N 3.35Å; T324-T326 PolarHBondContact O-N 3.34Å; T326-Q330 WeakPolarHBondContact O-CG 3.43Å; T326-Q330 PolarHBondContact O-N 2.96Å; T326-Q330 VanDerWaalsContact O-N 3.16Å
327	L	93.8	Very high	90.6	Very high	6 Å²	6	40.8 Å²	40.8	3%	0.031	20%	0.203	C	C	.	.	H	α-helix	trans	-71.8	-39.6	179	-178.1	61.7	0	0	0	111.3	F289 F292 M313 T324 Q325 A329 Q330 I331 L347	F289-L327 HydrophobicContact CD1-CD2 3.71Å; F289-L327 HydrophobicContact CE1-CD2 4.07Å; F292-L327 HydrophobicContact CB-CD2 3.94Å; F292-L327 HydrophobicContact CD1-CD1 4.01Å; F292-L327 HydrophobicContact CD1-CD2 3.38Å; F292-L327 HydrophobicContact CD1-CG 4.35Å; F292-L327 HydrophobicContact CD2-CD2 4.01Å; F292-L327 HydrophobicContact CE1-CD2 3.83Å; F292-L327 HydrophobicContact CE2-CD2 4.38Å; F292-L327 HydrophobicContact CG-CD2 3.49Å; F292-L327 VanDerWaalsContact CG-CD2 3.49Å; F292-L327 HydrophobicContact CZ-CD2 4.31Å; M313-L327 HydrophobicContact CE-CB 4.46Å; M313-L327 HydrophobicContact CE-CD2 3.41Å; M313-L327 VanDerWaalsContact CE-CD2 3.41Å; M313-L327 HydrophobicContact CE-CG 3.85Å; M313-L327 HydrophobicContact SD-CD2 4.22Å; T324-L327 PolarHBondContact O-N 2.99Å; T324-L327 VanDerWaalsContact O-N 3.08Å; Q325-L327 VanDerWaalsContact C-N 3.31Å; Q325-L327 PolarHBondContact O-N 3.3Å; L327-A329 VanDerWaalsContact C-N 3.34Å; L327-A329 PolarHBondContact O-N 2.83Å; L327-Q330 WeakPolarHBondContact O-CB 3.17Å; L327-Q330 PolarHBondContact O-N 2.82Å; L327-I331 HydrophobicContact CD1-CD1 4.35Å; L327-I331 HydrophobicContact CG-CD1 3.91Å; L327-I331 WeakPolarHBondContact O-CD1 3.33Å; L327-I331 VanDerWaalsContact O-CG1 3.3Å; L327-I331 WeakPolarHBondContact O-CG1 3.25Å; L327-I331 PolarHBondContact O-N 3.11Å; L327-L347 HydrophobicContact CD1-CD1 3.67Å
328	L	94.6	Very high	89.6	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-62.5	-41.3	174.1	-71.8	169.5	0	0	0	111.9	M313 F314 F319 T324 Q325 Q330 I331 F332 L376	M313-L328 HydrophobicContact CE-CD2 4.21Å; F314-L328 HydrophobicContact CD2-CD2 4.46Å; F314-L328 HydrophobicContact CE2-CD2 4.02Å; F319-L328 HydrophobicContact CD2-CD1 3.58Å; F319-L328 HydrophobicContact CD2-CD2 4.22Å; F319-L328 HydrophobicContact CE2-CD1 3.84Å; F319-L328 HydrophobicContact CE2-CD2 4.26Å; F319-L328 HydrophobicContact CG-CD1 4.16Å; T324-L328 HydrophobicContact CG2-CD1 3.75Å; T324-L328 HydrophobicContact CG2-CG 3.89Å; T324-L328 PolarHBondContact O-N 3.13Å; Q325-L328 PolarHBondContact O-N 3.19Å; L328-Q330 VanDerWaalsContact C-N 3.29Å; L328-Q330 PolarHBondContact O-N 2.79Å; L328-I331 PolarHBondContact O-N 3.12Å; L328-F332 HydrophobicContact CB-CD2 4.5Å; L328-F332 HydrophobicContact CB-CE2 4.12Å; L328-F332 WeakPolarHBondContact O-CB 3.34Å; L328-F332 WeakPolarHBondContact O-CD2 3.27Å; L328-F332 VanDerWaalsContact O-CG 3.22Å; L328-F332 WeakPolarHBondContact O-CG 3.48Å; L328-F332 PolarHBondContact O-N 2.99Å; L328-L376 HydrophobicContact CD1-CD2 4.31Å
329	A	92.6	Very high	88.2	Confident	23 Å²	23	41.9 Å²	41.9	19%	0.19	21%	0.207	C	C	.	.	H	α-helix	trans	-57.4	-43.3	173.3	0	0	0	0	0	111.5	Q325 L327 H333 H380	Q325-A329 WeakPolarHBondContact O-CB 3.48Å; Q325-A329 PolarHBondContact O-N 2.65Å; L327-A329 VanDerWaalsContact C-N 3.34Å; L327-A329 PolarHBondContact O-N 2.83Å; A329-H333 PolarHBondContact O-CD2 2.83Å; A329-H333 VanDerWaalsContact O-CD2 3.26Å; A329-H333 PolarHBondContact O-N 3.24Å; A329-H380 WeakPolarHBondContact CB-CE1 3.43Å; A329-H380 WeakPolarHBondContact CB-NE2 3.46Å
330	Q	93.2	Very high	86.5	Confident	85 Å²	85	50.3 Å²	50.3	40%	0.397	25%	0.246	S	C	.	.	H	α-helix	trans	-62.8	-48.6	174.6	-69.3	174.4	9.2	0	0	111.3	T326 L327 L328 F332 H333 A334	T326-Q330 WeakPolarHBondContact O-CG 3.43Å; T326-Q330 PolarHBondContact O-N 2.96Å; T326-Q330 VanDerWaalsContact O-N 3.16Å; L327-Q330 WeakPolarHBondContact O-CB 3.17Å; L327-Q330 PolarHBondContact O-N 2.82Å; L328-Q330 VanDerWaalsContact C-N 3.29Å; L328-Q330 PolarHBondContact O-N 2.79Å; Q330-F332 VanDerWaalsContact C-N 3.33Å; Q330-F332 PolarHBondContact O-N 3.02Å; Q330-H333 CarbonylContact O-C 3.56Å; Q330-H333 PolarHBondContact O-N 2.89Å; Q330-H333 VanDerWaalsContact O-N 3.11Å; Q330-A334 WeakPolarHBondContact O-CB 3.22Å; Q330-A334 PolarHBondContact O-N 2.81Å
331	I	95.1	Very high	84.7	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-59.8	-43	-179.6	-68.3	159.2	0	0	0	111.2	F305 L310 M313 L327 L328 H333 A334 L347 I349 F354 V358	F305-I331 HydrophobicContact CZ-CD1 3.95Å; F305-I331 HydrophobicContact CZ-CG1 4.44Å; L310-I331 HydrophobicContact CD1-CD1 3.78Å; L310-I331 HydrophobicContact CD1-CG2 4.2Å; L310-I331 HydrophobicContact CD2-CG2 4.45Å; M313-I331 HydrophobicContact CE-CD1 3.8Å; L327-I331 HydrophobicContact CD1-CD1 4.35Å; L327-I331 HydrophobicContact CG-CD1 3.91Å; L327-I331 WeakPolarHBondContact O-CD1 3.33Å; L327-I331 VanDerWaalsContact O-CG1 3.3Å; L327-I331 WeakPolarHBondContact O-CG1 3.25Å; L327-I331 PolarHBondContact O-N 3.11Å; L328-I331 PolarHBondContact O-N 3.12Å; I331-H333 PolarHBondContact O-N 3.42Å; I331-H333 VanDerWaalsContact O-N 3.13Å; I331-A334 WeakPolarHBondContact O-CB 3.06Å; I331-A334 PolarHBondContact O-N 3.4Å; I331-L347 HydrophobicContact CG1-CD1 4.18Å; I331-L347 HydrophobicContact CG1-CD2 4.23Å; I331-I349 HydrophobicContact CG2-CD1 4.2Å; I331-F354 WeakPolarHBondContact O-CE2 3.08Å; I331-V358 HydrophobicContact CG2-CG1 4.44Å
332	F	95.7	Very high	82.9	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-62.7	-19.8	179.3	-71.5	-32.2	0	0	0	114.1	F314 F319 L328 Q330 I362 L377 H380 G383 Y384	F314-F332 HydrophobicContact CE1-CE1 4.39Å; F314-F332 AromaticContact CZ-CE1 3.83Å; F314-F332 HydrophobicContact CZ-CE1 3.83Å; F314-F332 HydrophobicContact CZ-CZ 4.28Å; F319-F332 AromaticContact CE2-CZ 3.9Å; F319-F332 HydrophobicContact CE2-CZ 3.9Å; F319-F332 HydrophobicContact CZ-CZ 4.06Å; L328-F332 HydrophobicContact CB-CD2 4.5Å; L328-F332 HydrophobicContact CB-CE2 4.12Å; L328-F332 WeakPolarHBondContact O-CB 3.34Å; L328-F332 WeakPolarHBondContact O-CD2 3.27Å; L328-F332 VanDerWaalsContact O-CG 3.22Å; L328-F332 WeakPolarHBondContact O-CG 3.48Å; L328-F332 PolarHBondContact O-N 2.99Å; Q330-F332 VanDerWaalsContact C-N 3.33Å; Q330-F332 PolarHBondContact O-N 3.02Å; F332-I362 HydrophobicContact CD1-CD1 3.91Å; F332-I362 HydrophobicContact CD1-CG1 4.26Å; F332-I362 HydrophobicContact CE1-CD1 4.01Å; F332-I362 HydrophobicContact CE1-CG1 3.83Å; F332-L377 HydrophobicContact CZ-CD2 4.06Å; F332-H380 HydrophobicContact CB-CB 3.84Å; F332-H380 HydrophobicContact CD2-CB 3.66Å; F332-H380 AromaticContact CD2-CD2 3.87Å; F332-H380 AromaticContact CD2-CG 3.9Å; F332-H380 HydrophobicContact CG-CB 4.11Å; F332-G383 CarbonylContact O-C 3.53Å; F332-G383 WeakPolarHBondContact O-CA 3.47Å; F332-G383 VanDerWaalsContact O-O 3.12Å; F332-Y384 HydrophobicContact CB-CD1 3.94Å; F332-Y384 HydrophobicContact CB-CE1 4.42Å; F332-Y384 HydrophobicContact CD1-CD1 4.02Å; F332-Y384 HydrophobicContact CD1-CE1 4.27Å; F332-Y384 HydrophobicContact CG-CD1 4.06Å; F332-Y384 HydrophobicContact CG-CE1 4.21Å; F332-Y384 PolarHBondContact O-N 2.83Å
333	H	93.1	Very high	81	Confident	71 Å²	71	58.8 Å²	58.8	33%	0.329	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	5	176.7	-70.9	-100.3	0	0	0	112.9	A329 Q330 I331 C335 H380 G383	A329-H333 PolarHBondContact O-CD2 2.83Å; A329-H333 VanDerWaalsContact O-CD2 3.26Å; A329-H333 PolarHBondContact O-N 3.24Å; Q330-H333 CarbonylContact O-C 3.56Å; Q330-H333 PolarHBondContact O-N 2.89Å; Q330-H333 VanDerWaalsContact O-N 3.11Å; I331-H333 PolarHBondContact O-N 3.42Å; I331-H333 VanDerWaalsContact O-N 3.13Å; H333-C335 VanDerWaalsContact C-N 3.32Å; H333-C335 PolarHBondContact O-N 2.98Å; H333-H380 AromaticContact CD2-ND1 3.84Å; H333-H380 AromaticContact NE2-ND1 3.44Å; H333-H380 PolarHBondContact NE2-ND1 2.69Å; H333-G383 WeakPolarHBondContact CE1-CA 3.44Å; H333-G383 VanDerWaalsContact ND1-CA 3.31Å; H333-G383 WeakPolarHBondContact ND1-CA 3.42Å
334	A	91.5	Very high	79.4	Confident	1 Å²	1	66.3 Å²	66.3	1%	0.008	34%	0.34	C	S	.	.			trans	-79.7	-5.6	-169.9	0	0	0	0	0	115	Q330 I331 E336 L347 T348 I349	Q330-A334 WeakPolarHBondContact O-CB 3.22Å; Q330-A334 PolarHBondContact O-N 2.81Å; I331-A334 WeakPolarHBondContact O-CB 3.06Å; I331-A334 PolarHBondContact O-N 3.4Å; A334-E336 PolarHBondContact O-N 2.92Å; A334-L347 HydrophobicContact CB-CD2 3.55Å; A334-L347 WeakPolarHBondContact CB-O 3.32Å; A334-T348 CarbonylContact O-C 3.58Å; A334-T348 WeakPolarHBondContact O-CA 3.46Å; A334-I349 HydrophobicContact CB-CB 4.43Å; A334-I349 HydrophobicContact CB-CD1 4.13Å; A334-I349 HydrophobicContact CB-CG1 4.04Å; A334-I349 PolarHBondContact O-N 2.92Å
335	C	90.4	Very high	77.7	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-68	128.5	-179.2	-169.8	0	0	0	0	111.2	H333 E337 N338 I349 F354 V387	H333-C335 VanDerWaalsContact C-N 3.32Å; H333-C335 PolarHBondContact O-N 2.98Å; C335-E337 VanDerWaalsContact C-N 3.26Å; C335-E337 PolarHBondContact O-N 3.05Å; C335-E337 VanDerWaalsContact O-N 3.15Å; C335-N338 WeakPolarHBondContact O-CB 3.22Å; C335-N338 PolarHBondContact O-N 3.21Å; C335-I349 WeakPolarHBondContact CA-O 3.38Å; C335-F354 HydrophobicContact CB-CB 4.39Å; C335-F354 HydrophobicContact CB-CD1 4.45Å; C335-F354 HydrophobicContact CB-CD2 3.68Å; C335-F354 HydrophobicContact CB-CE2 4.01Å; C335-F354 HydrophobicContact CB-CG 3.92Å; C335-V387 HydrophobicContact CB-CG2 3.9Å; C335-V387 VanDerWaalsContact SG-CG2 3.58Å
336	E	80.9	Confident	77	Confident	125 Å²	125	73.5 Å²	73.5	58%	0.584	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-48.9	-40.6	-177.2	-170.9	179.4	-173.6	0	0	114.1	A334 N338 L339 T348 I349	A334-E336 PolarHBondContact O-N 2.92Å; E336-N338 PolarHBondContact O-N 3.18Å; E336-N338 VanDerWaalsContact O-N 3.11Å; E336-L339 PolarHBondContact O-N 3.34Å; E336-T348 HydrophobicContact CB-CG2 4.29Å; E336-I349 PolarHBondContact N-O 3.23Å
337	E	71	Confident	76.9	Confident	94 Å²	94	69.2 Å²	69.2	44%	0.439	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-59.5	-25.2	179	-73	-166.3	155.9	0	0	113.9	C335 L351	C335-E337 VanDerWaalsContact C-N 3.26Å; C335-E337 PolarHBondContact O-N 3.05Å; C335-E337 VanDerWaalsContact O-N 3.15Å; E337-L351 HydrophobicContact CG-CD1 4.24Å; E337-L351 HydrophobicContact CG-CD2 4.33Å; E337-L351 WeakPolarHBondContact OE1-CD2 3.33Å
338	N	68.2	Low	76.8	Confident	43 Å²	43	71.4 Å²	71.4	23%	0.23	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-84.7	-14.5	179.2	-64.6	-52.5	0	0	0	113.4	C335 E336 Q340 G383	C335-N338 WeakPolarHBondContact O-CB 3.22Å; C335-N338 PolarHBondContact O-N 3.21Å; E336-N338 PolarHBondContact O-N 3.18Å; E336-N338 VanDerWaalsContact O-N 3.11Å; N338-Q340 VanDerWaalsContact C-N 3.33Å; N338-Q340 PolarHBondContact O-N 2.95Å; N338-G383 PolarHBondContact ND2-O 3.32Å
339	L	64.3	Low	76.8	Confident	47 Å²	47	71.4 Å²	71.4	25%	0.246	36%	0.364	C	S	.	.			trans	-91.2	15	-168.6	-62.9	176.7	0	0	0	114.1	E336 E341 S342 S345 T348	E336-L339 PolarHBondContact O-N 3.34Å; L339-E341 PolarHBondContact O-N 3.12Å; L339-S342 PolarHBondContact O-N 3.46Å; L339-S345 WeakPolarHBondContact CD1-OG 3.48Å; L339-S345 WeakPolarHBondContact CD2-OG 3.4Å; L339-T348 HydrophobicContact CD1-CG2 3.79Å; L339-T348 WeakPolarHBondContact CD1-OG1 3.43Å
340	Q	58.2	Low	76.9	Confident	176 Å²	176	71.8 Å²	71.8	82%	0.822	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-5.5	-173.1	-72.7	-174.2	-5.5	0	0	116.1	N338	N338-Q340 VanDerWaalsContact C-N 3.33Å; N338-Q340 PolarHBondContact O-N 2.95Å
341	E	54.3	Low	76.9	Confident	194 Å²	194	69.9 Å²	69.9	91%	0.907	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.6	4.6	-177.9	-72.9	-174.5	162.3	0	0	117.3	L339	L339-E341 PolarHBondContact O-N 3.12Å
342	S	52.7	Low	76.9	Confident	71 Å²	71	77.3 Å²	77.3	50%	0.497	39%	0.393	S	S	.	.			trans	-163	130.6	166.2	60.9	0	0	0	0	114.5	L339 K344	L339-S342 PolarHBondContact O-N 3.46Å; S342-K344 PolarHBondContact O-N 3.46Å; S342-K344 VanDerWaalsContact O-N 3.09Å
343	P	52.7	Low	76.9	Confident	136 Å²	136	78.3 Å²	78.3	88%	0.883	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	33.9	-176.2	35.8	-35.5	0	0	0	113.4
344	K	55.4	Low	77.1	Confident	186 Å²	186	74.9 Å²	74.9	81%	0.809	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.2	-2.7	-171.7	-72.2	-172.2	-178.8	178.6	0	116	S342 K346	S342-K344 PolarHBondContact O-N 3.46Å; S342-K344 VanDerWaalsContact O-N 3.09Å; K344-K346 PolarHBondContact O-N 3.45Å
345	S	56.7	Low	77.3	Confident	50 Å²	50	79.1 Å²	79.1	35%	0.35	40%	0.402	S	S	.	.			trans	-72.3	112.3	169	55.4	0	0	0	0	108.9	L339 L347	L339-S345 WeakPolarHBondContact CD1-OG 3.48Å; L339-S345 WeakPolarHBondContact CD2-OG 3.4Å; S345-L347 PolarHBondContact O-N 2.9Å; S345-L347 VanDerWaalsContact O-N 3.09Å
346	K	73	Confident	77.6	Confident	142 Å²	142	82.9 Å²	82.9	62%	0.617	42%	0.418	S	S	*	.	S	Bend	trans	-62.9	-11.3	175.5	-73.8	-174.2	172.7	-171.6	0	113.8	T293 E294 K344	T293-K346 HydrophobicContact CG2-CB 3.93Å; E294-K346 WeakPolarHBondContact OE1-CD 3.43Å; E294-K346 WeakPolarHBondContact OE1-CE 3.42Å; E294-K346 IonicContact OE1-NZ 2.9Å; E294-K346 PolarHBondContact OE1-NZ 3.49Å; K344-K346 PolarHBondContact O-N 3.45Å
347	L	87.5	Confident	78.3	Confident	3 Å²	3	78 Å²	78	2%	0.016	40%	0.395	C	S	.	.			trans	-125.5	111	-176.7	-164.7	163.5	0	0	0	108.5	T293 F297 L327 I331 A334 S345 I349	T293-L347 HydrophobicContact CG2-CB 4.25Å; F297-L347 HydrophobicContact CD1-CG 3.93Å; F297-L347 HydrophobicContact CD2-CD1 4.22Å; F297-L347 HydrophobicContact CD2-CG 4.05Å; F297-L347 HydrophobicContact CE1-CB 4.38Å; F297-L347 HydrophobicContact CE1-CD2 4.39Å; F297-L347 HydrophobicContact CE1-CG 3.8Å; F297-L347 HydrophobicContact CE2-CD1 4.49Å; F297-L347 HydrophobicContact CE2-CD2 3.98Å; F297-L347 HydrophobicContact CE2-CG 3.91Å; F297-L347 HydrophobicContact CG-CD1 4.25Å; F297-L347 HydrophobicContact CG-CG 4.06Å; F297-L347 HydrophobicContact CZ-CD2 3.92Å; F297-L347 HydrophobicContact CZ-CG 3.8Å; L327-L347 HydrophobicContact CD1-CD1 3.67Å; I331-L347 HydrophobicContact CG1-CD1 4.18Å; I331-L347 HydrophobicContact CG1-CD2 4.23Å; A334-L347 HydrophobicContact CB-CD2 3.55Å; A334-L347 WeakPolarHBondContact CB-O 3.32Å; S345-L347 PolarHBondContact O-N 2.9Å; S345-L347 VanDerWaalsContact O-N 3.09Å; L347-I349 HydrophobicContact CD2-CD1 4.13Å; L347-I349 HydrophobicContact CD2-CG1 4.02Å
348	T	91.1	Very high	79.6	Confident	52 Å²	52	73.5 Å²	73.5	32%	0.319	37%	0.374	S	S	.	.			trans	-127	139	177.9	-61.3	0	0	0	0	108.9	F297 A334 E336 L339	F297-T348 WeakPolarHBondContact CZ-O 3.42Å; A334-T348 CarbonylContact O-C 3.58Å; A334-T348 WeakPolarHBondContact O-CA 3.46Å; E336-T348 HydrophobicContact CB-CG2 4.29Å; L339-T348 HydrophobicContact CD1-CG2 3.79Å; L339-T348 WeakPolarHBondContact CD1-OG1 3.43Å
349	I	94.4	Very high	80.9	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	36%	0.364	C	S	.	.	B	Isolated β-bridge	trans	-124	130.6	178.3	-59.5	173.9	0	0	0	107.6	F297 E302 F305 I331 A334 C335 E336 L347 N353 F354 V358	F297-I349 HydrophobicContact CE2-CG1 4.47Å; F297-I349 HydrophobicContact CZ-CG1 4.45Å; E302-I349 HydrophobicContact CG-CG2 4.3Å; E302-I349 WeakPolarHBondContact OE1-CG2 3.47Å; F305-I349 HydrophobicContact CE1-CD1 4.28Å; I331-I349 HydrophobicContact CG2-CD1 4.2Å; A334-I349 HydrophobicContact CB-CB 4.43Å; A334-I349 HydrophobicContact CB-CD1 4.13Å; A334-I349 HydrophobicContact CB-CG1 4.04Å; A334-I349 PolarHBondContact O-N 2.92Å; C335-I349 WeakPolarHBondContact CA-O 3.38Å; E336-I349 PolarHBondContact N-O 3.23Å; L347-I349 HydrophobicContact CD2-CD1 4.13Å; L347-I349 HydrophobicContact CD2-CG1 4.02Å; I349-N353 HydrophobicContact CG2-CB 3.96Å; I349-F354 HydrophobicContact CB-CD2 4.32Å; I349-F354 HydrophobicContact CG2-CB 4.12Å; I349-F354 HydrophobicContact CG2-CD2 4.3Å; I349-V358 HydrophobicContact CD1-CG2 4.36Å
350	S	94.4	Very high	82.5	Confident	32 Å²	32	72.1 Å²	72.1	22%	0.224	37%	0.37	C	S	.	.			trans	-56.6	149.5	176.2	66.2	0	0	0	0	111.8	E302 Q352 N353 F354	E302-S350 WeakPolarHBondContact OE1-CB 3.4Å; E302-S350 PolarHBondContact OE1-N 3.21Å; E302-S350 PolarHBondContact OE1-OG 2.69Å; E302-S350 PolarHBondContact OE2-N 2.9Å; S350-Q352 PolarHBondContact O-N 3Å; S350-N353 PolarHBondContact O-N 2.93Å; S350-N353 WeakPolarHBondContact OG-CB 3.36Å; S350-N353 PolarHBondContact OG-N 2.91Å; S350-N353 PolarHBondContact OG-ND2 3.05Å; S350-F354 WeakPolarHBondContact O-CB 3.19Å; S350-F354 PolarHBondContact O-N 3.32Å
351	L	94.9	Very high	84.3	Confident	45 Å²	45	64.9 Å²	64.9	24%	0.236	34%	0.337	C	S	.	.	H	α-helix	trans	-52.9	-43.2	176.7	178.8	64.1	0	0	0	112	E337 F354 Q355 V387	E337-L351 HydrophobicContact CG-CD1 4.24Å; E337-L351 HydrophobicContact CG-CD2 4.33Å; E337-L351 WeakPolarHBondContact OE1-CD2 3.33Å; L351-F354 PolarHBondContact O-N 2.8Å; L351-Q355 HydrophobicContact CD1-CG 4.12Å; L351-Q355 WeakPolarHBondContact O-CB 3.37Å; L351-Q355 VanDerWaalsContact O-CG 3.31Å; L351-Q355 WeakPolarHBondContact O-CG 3.28Å; L351-Q355 PolarHBondContact O-N 3.01Å; L351-V387 HydrophobicContact CD1-CG1 3.66Å; L351-V387 HydrophobicContact CD1-CG2 4.37Å
352	Q	94.8	Very high	86.4	Confident	156 Å²	156	55.7 Å²	55.7	73%	0.729	29%	0.293	S	S	*	.	H	α-helix	trans	-61.9	-50	-178.9	-67.6	-175	-4.6	0	0	111.8	S350 Q355 K356	S350-Q352 PolarHBondContact O-N 3Å; Q352-Q355 PolarHBondContact O-N 3.26Å; Q352-K356 WeakPolarHBondContact O-CB 3.49Å; Q352-K356 PolarHBondContact O-N 3.15Å
353	N	95.9	Very high	88.6	Confident	20 Å²	20	53.1 Å²	53.1	11%	0.107	28%	0.275	C	S	.	.	H	α-helix	trans	-69.6	-34.9	179.1	-75.4	-29.4	0	0	0	112.2	E302 I349 S350 K356 F357	E302-N353 WeakPolarHBondContact OE1-CB 3.32Å; E302-N353 PolarHBondContact OE1-ND2 3.02Å; I349-N353 HydrophobicContact CG2-CB 3.96Å; S350-N353 PolarHBondContact O-N 2.93Å; S350-N353 WeakPolarHBondContact OG-CB 3.36Å; S350-N353 PolarHBondContact OG-N 2.91Å; S350-N353 PolarHBondContact OG-ND2 3.05Å; N353-K356 PolarHBondContact O-N 3.41Å; N353-F357 HydrophobicContact CB-CD2 4.09Å; N353-F357 WeakPolarHBondContact O-CB 3.35Å; N353-F357 WeakPolarHBondContact O-CD2 3.45Å; N353-F357 PolarHBondContact O-N 3.47Å; N353-F357 WeakPolarHBondContact OD1-CE2 3.45Å
354	F	97	Very high	90.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.257	C	S	.	.	I	π-helix	trans	-60.4	-50.2	175.3	-159.2	-76.9	0	0	0	111	I331 C335 I349 S350 L351 K356 V358 N359 I362 V387	I331-F354 WeakPolarHBondContact O-CE2 3.08Å; C335-F354 HydrophobicContact CB-CB 4.39Å; C335-F354 HydrophobicContact CB-CD1 4.45Å; C335-F354 HydrophobicContact CB-CD2 3.68Å; C335-F354 HydrophobicContact CB-CE2 4.01Å; C335-F354 HydrophobicContact CB-CG 3.92Å; I349-F354 HydrophobicContact CB-CD2 4.32Å; I349-F354 HydrophobicContact CG2-CB 4.12Å; I349-F354 HydrophobicContact CG2-CD2 4.3Å; S350-F354 WeakPolarHBondContact O-CB 3.19Å; S350-F354 PolarHBondContact O-N 3.32Å; L351-F354 PolarHBondContact O-N 2.8Å; F354-K356 PolarHBondContact O-N 3.01Å; F354-V358 HydrophobicContact CB-CG2 4.49Å; F354-V358 HydrophobicContact CD1-CB 3.96Å; F354-V358 HydrophobicContact CD1-CG1 4.35Å; F354-V358 HydrophobicContact CD2-CB 4.11Å; F354-V358 HydrophobicContact CD2-CG1 4.3Å; F354-V358 HydrophobicContact CD2-CG2 3.95Å; F354-V358 HydrophobicContact CE1-CB 4.03Å; F354-V358 HydrophobicContact CE1-CG1 3.92Å; F354-V358 HydrophobicContact CE2-CB 4.2Å; F354-V358 HydrophobicContact CE2-CG1 3.88Å; F354-V358 HydrophobicContact CE2-CG2 4.3Å; F354-V358 HydrophobicContact CG-CB 4Å; F354-V358 HydrophobicContact CG-CG2 4.11Å; F354-V358 HydrophobicContact CZ-CB 4.16Å; F354-V358 HydrophobicContact CZ-CG1 3.67Å; F354-V358 WeakPolarHBondContact O-CA 3.41Å; F354-V358 VanDerWaalsContact O-CB 3.28Å; F354-V358 WeakPolarHBondContact O-CB 3.33Å; F354-V358 PolarHBondContact O-N 3.1Å; F354-N359 VanDerWaalsContact CD1-OD1 3.26Å; F354-N359 WeakPolarHBondContact CD1-OD1 3.32Å; F354-N359 VanDerWaalsContact CE1-OD1 3.28Å; F354-N359 WeakPolarHBondContact CE1-OD1 3.5Å; F354-N359 PolarHBondContact O-N 2.87Å; F354-I362 HydrophobicContact CE1-CD1 4.41Å; F354-I362 HydrophobicContact CZ-CD1 4.39Å; F354-V387 HydrophobicContact CB-CG1 4.44Å; F354-V387 HydrophobicContact CD1-CB 4.12Å; F354-V387 HydrophobicContact CD1-CG1 3.58Å; F354-V387 HydrophobicContact CE1-CB 4.32Å; F354-V387 HydrophobicContact CE1-CG1 4.26Å; F354-V387 HydrophobicContact CG-CG1 4.31Å
355	Q	96.3	Very high	92.6	Very high	90 Å²	90	44.1 Å²	44.1	42%	0.421	22%	0.224	S	C	.	.	I	π-helix	trans	-64.4	-40.5	176.7	-71	176.3	-20.1	0	0	112.5	L351 Q352 V387	L351-Q355 HydrophobicContact CD1-CG 4.12Å; L351-Q355 WeakPolarHBondContact O-CB 3.37Å; L351-Q355 VanDerWaalsContact O-CG 3.31Å; L351-Q355 WeakPolarHBondContact O-CG 3.28Å; L351-Q355 PolarHBondContact O-N 3.01Å; Q352-Q355 PolarHBondContact O-N 3.26Å; Q355-V387 HydrophobicContact CG-CG1 3.53Å
356	K	95.7	Very high	94.6	Very high	78 Å²	78	41.8 Å²	41.8	34%	0.339	21%	0.207	S	C	.	.	I	π-helix	trans	-73.7	-33.8	-174.6	-179.3	178.1	177.3	-168.4	0	113.5	E303 Q352 N353 F354	E303-K356 IonicContact OE1-NZ 2.84Å; E303-K356 PolarHBondContact OE1-NZ 2.92Å; Q352-K356 WeakPolarHBondContact O-CB 3.49Å; Q352-K356 PolarHBondContact O-N 3.15Å; N353-K356 PolarHBondContact O-N 3.41Å; F354-K356 PolarHBondContact O-N 3.01Å
357	F	95.8	Very high	95.7	Very high	23 Å²	23	39.5 Å²	39.5	10%	0.101	20%	0.2	C	C	.	.	I	π-helix	trans	-123.9	-40.8	-171.1	-60.3	-69.3	0	0	0	113.9	E303 C306 R307 N353 L361	E303-F357 HydrophobicContact CG-CE2 3.94Å; E303-F357 HydrophobicContact CG-CZ 4.04Å; C306-F357 HydrophobicContact CB-CB 3.8Å; C306-F357 HydrophobicContact CB-CD2 3.62Å; C306-F357 HydrophobicContact CB-CE2 4.38Å; C306-F357 HydrophobicContact CB-CG 3.85Å; R307-F357 HydrophobicContact CB-CD1 4.38Å; R307-F357 HydrophobicContact CB-CE1 3.86Å; R307-F357 HydrophobicContact CB-CZ 4.1Å; R307-F357 HydrophobicContact CG-CE1 3.86Å; R307-F357 HydrophobicContact CG-CZ 4.33Å; N353-F357 HydrophobicContact CB-CD2 4.09Å; N353-F357 WeakPolarHBondContact O-CB 3.35Å; N353-F357 WeakPolarHBondContact O-CD2 3.45Å; N353-F357 PolarHBondContact O-N 3.47Å; N353-F357 WeakPolarHBondContact OD1-CE2 3.45Å; F357-L361 WeakPolarHBondContact O-CD1 3.44Å; F357-L361 WeakPolarHBondContact O-CG 3.35Å
358	V	97.1	Very high	95.9	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.209	C	C	.	.	I	π-helix	trans	-81.5	-45.9	-174.3	-170.5	0	0	0	0	111.5	L310 I331 I349 F354 L361 I362	L310-V358 HydrophobicContact CD2-CB 4.49Å; L310-V358 HydrophobicContact CD2-CG2 3.71Å; I331-V358 HydrophobicContact CG2-CG1 4.44Å; I349-V358 HydrophobicContact CD1-CG2 4.36Å; F354-V358 HydrophobicContact CB-CG2 4.49Å; F354-V358 HydrophobicContact CD1-CB 3.96Å; F354-V358 HydrophobicContact CD1-CG1 4.35Å; F354-V358 HydrophobicContact CD2-CB 4.11Å; F354-V358 HydrophobicContact CD2-CG1 4.3Å; F354-V358 HydrophobicContact CD2-CG2 3.95Å; F354-V358 HydrophobicContact CE1-CB 4.03Å; F354-V358 HydrophobicContact CE1-CG1 3.92Å; F354-V358 HydrophobicContact CE2-CB 4.2Å; F354-V358 HydrophobicContact CE2-CG1 3.88Å; F354-V358 HydrophobicContact CE2-CG2 4.3Å; F354-V358 HydrophobicContact CG-CB 4Å; F354-V358 HydrophobicContact CG-CG2 4.11Å; F354-V358 HydrophobicContact CZ-CB 4.16Å; F354-V358 HydrophobicContact CZ-CG1 3.67Å; F354-V358 WeakPolarHBondContact O-CA 3.41Å; F354-V358 VanDerWaalsContact O-CB 3.28Å; F354-V358 WeakPolarHBondContact O-CB 3.33Å; F354-V358 PolarHBondContact O-N 3.1Å; V358-L361 WeakPolarHBondContact O-CB 3.43Å; V358-L361 PolarHBondContact O-N 3.31Å; V358-L361 VanDerWaalsContact O-N 3.14Å; V358-I362 HydrophobicContact CG1-CD1 3.81Å; V358-I362 HydrophobicContact CG1-CG1 4.3Å; V358-I362 PolarHBondContact O-N 2.99Å
359	N	97.3	Very high	96	Very high	6 Å²	6	40.9 Å²	40.9	3%	0.032	21%	0.206	C	C	.	.	H	α-helix	trans	-54.1	-50.2	-179.6	-77.4	2.4	0	0	0	112.8	F354 L361 I362 V363 V387 L388	F354-N359 VanDerWaalsContact CD1-OD1 3.26Å; F354-N359 WeakPolarHBondContact CD1-OD1 3.32Å; F354-N359 VanDerWaalsContact CE1-OD1 3.28Å; F354-N359 WeakPolarHBondContact CE1-OD1 3.5Å; F354-N359 PolarHBondContact O-N 2.87Å; N359-L361 VanDerWaalsContact C-N 3.27Å; N359-L361 PolarHBondContact O-N 3.49Å; N359-I362 PolarHBondContact O-N 3.44Å; N359-V363 WeakPolarHBondContact O-CG2 3.29Å; N359-V363 PolarHBondContact O-N 2.96Å; N359-V387 PolarHBondContact ND2-O 2.7Å; N359-L388 HydrophobicContact CB-CD2 4.12Å
360	P	96.8	Very high	96	Very high	55 Å²	55	41.1 Å²	41.1	36%	0.357	21%	0.207	S	C	.	.	H	α-helix	trans	-58.9	-37.9	179.2	-25.2	35.6	0	0	0	113.1	V363 Q364	P360-V363 PolarHBondContact O-N 3.36Å; P360-Q364 WeakPolarHBondContact O-CB 3.35Å; P360-Q364 WeakPolarHBondContact O-CG 3.38Å; P360-Q364 PolarHBondContact O-N 3.31Å
361	L	97.2	Very high	96	Very high	24 Å²	24	41 Å²	41	13%	0.126	20%	0.202	C	C	.	.	H	α-helix	trans	-66	-42.9	178.1	-65.7	173.6	0	0	0	111.5	L310 P311 F314 F357 V358 N359 Q364 K365	L310-L361 HydrophobicContact CD2-CD1 4.16Å; L310-L361 HydrophobicContact CG-CD1 4Å; P311-L361 HydrophobicContact CB-CD1 4.5Å; P311-L361 HydrophobicContact CB-CD2 4.27Å; P311-L361 HydrophobicContact CG-CD1 4.25Å; F314-L361 HydrophobicContact CB-CD2 4.48Å; F314-L361 HydrophobicContact CD1-CB 3.62Å; F314-L361 HydrophobicContact CD2-CB 4.45Å; F314-L361 HydrophobicContact CD2-CD1 4.01Å; F314-L361 HydrophobicContact CE1-CB 3.56Å; F314-L361 HydrophobicContact CE2-CB 4.39Å; F314-L361 HydrophobicContact CE2-CD1 4.16Å; F314-L361 HydrophobicContact CG-CB 4.08Å; F314-L361 HydrophobicContact CG-CD1 4.23Å; F314-L361 HydrophobicContact CZ-CB 3.96Å; F314-L361 HydrophobicContact CZ-CD1 4.5Å; F357-L361 WeakPolarHBondContact O-CD1 3.44Å; F357-L361 WeakPolarHBondContact O-CG 3.35Å; V358-L361 WeakPolarHBondContact O-CB 3.43Å; V358-L361 PolarHBondContact O-N 3.31Å; V358-L361 VanDerWaalsContact O-N 3.14Å; N359-L361 VanDerWaalsContact C-N 3.27Å; N359-L361 PolarHBondContact O-N 3.49Å; L361-Q364 PolarHBondContact O-N 2.78Å; L361-K365 WeakPolarHBondContact O-CG 3.31Å; L361-K365 PolarHBondContact O-N 3.08Å
362	I	98.2	Very high	95.8	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-61.9	-50.2	175.5	-68.1	172.5	0	0	0	110.6	F314 F332 F354 V358 N359 Q364 K365 F366 L377 Y384	F314-I362 HydrophobicContact CE1-CG1 4.4Å; F314-I362 HydrophobicContact CZ-CG1 4.44Å; F332-I362 HydrophobicContact CD1-CD1 3.91Å; F332-I362 HydrophobicContact CD1-CG1 4.26Å; F332-I362 HydrophobicContact CE1-CD1 4.01Å; F332-I362 HydrophobicContact CE1-CG1 3.83Å; F354-I362 HydrophobicContact CE1-CD1 4.41Å; F354-I362 HydrophobicContact CZ-CD1 4.39Å; V358-I362 HydrophobicContact CG1-CD1 3.81Å; V358-I362 HydrophobicContact CG1-CG1 4.3Å; V358-I362 PolarHBondContact O-N 2.99Å; N359-I362 PolarHBondContact O-N 3.44Å; I362-Q364 VanDerWaalsContact C-N 3.33Å; I362-Q364 PolarHBondContact O-N 3.5Å; I362-K365 PolarHBondContact O-N 3.27Å; I362-F366 HydrophobicContact CG2-CD2 3.94Å; I362-F366 HydrophobicContact CG2-CE2 3.81Å; I362-F366 WeakPolarHBondContact O-CD2 3.34Å; I362-F366 PolarHBondContact O-N 3.11Å; I362-L377 HydrophobicContact CG2-CD2 4.46Å; I362-Y384 HydrophobicContact CD1-CD1 3.9Å; I362-Y384 HydrophobicContact CD1-CD2 4.03Å; I362-Y384 HydrophobicContact CD1-CE1 4.45Å; I362-Y384 HydrophobicContact CD1-CG 3.66Å; I362-Y384 HydrophobicContact CG2-CD2 3.95Å; I362-Y384 HydrophobicContact CG2-CE2 3.63Å
363	V	98.4	Very high	95.8	Very high	18 Å²	18	34.9 Å²	34.9	11%	0.109	17%	0.172	C	C	.	.	H	α-helix	trans	-59.1	-44.7	179.9	173.7	0	0	0	0	110.8	N359 P360 K365 F366 M367 L388 D392 V396 I397	N359-V363 WeakPolarHBondContact O-CG2 3.29Å; N359-V363 PolarHBondContact O-N 2.96Å; P360-V363 PolarHBondContact O-N 3.36Å; V363-K365 VanDerWaalsContact C-N 3.29Å; V363-K365 PolarHBondContact O-N 3.33Å; V363-F366 PolarHBondContact O-N 3.25Å; V363-M367 PolarHBondContact O-N 2.76Å; V363-L388 HydrophobicContact CG2-CD2 4.04Å; V363-D392 HydrophobicContact CG2-CB 3.92Å; V363-V396 HydrophobicContact CG1-CB 4.12Å; V363-V396 HydrophobicContact CG1-CG1 3.74Å; V363-V396 HydrophobicContact CG1-CG2 4.29Å; V363-I397 HydrophobicContact CG2-CD1 4.2Å
364	Q	96.5	Very high	95.9	Very high	108 Å²	108	34 Å²	34	51%	0.505	17%	0.167	S	C	.	.	H	α-helix	trans	-61.4	-36.3	174.8	-75.2	176.5	7.4	0	0	112.4	P360 L361 I362 M367	P360-Q364 WeakPolarHBondContact O-CB 3.35Å; P360-Q364 WeakPolarHBondContact O-CG 3.38Å; P360-Q364 PolarHBondContact O-N 3.31Å; L361-Q364 PolarHBondContact O-N 2.78Å; I362-Q364 VanDerWaalsContact C-N 3.33Å; I362-Q364 PolarHBondContact O-N 3.5Å; Q364-M367 WeakPolarHBondContact O-CB 3.4Å; Q364-M367 PolarHBondContact O-N 2.89Å
365	K	95.4	Very high	95.9	Very high	25 Å²	25	34.7 Å²	34.7	11%	0.109	17%	0.171	C	C	.	.	H	α-helix	trans	-71.2	-31.9	176.7	-72.1	-64.9	177	-163.1	0	113.8	F314 N316 L361 I362 V363 M367 V368 T373 L377	F314-K365 HydrophobicContact CD1-CD 4.41Å; F314-K365 HydrophobicContact CD1-CG 3.6Å; F314-K365 HydrophobicContact CE1-CG 4.05Å; F314-K365 WeakPolarHBondContact O-CE 3.37Å; F314-K365 PolarHBondContact O-NZ 3.49Å; N316-K365 PolarHBondContact OD1-NZ 3.16Å; L361-K365 WeakPolarHBondContact O-CG 3.31Å; L361-K365 PolarHBondContact O-N 3.08Å; I362-K365 PolarHBondContact O-N 3.27Å; V363-K365 VanDerWaalsContact C-N 3.29Å; V363-K365 PolarHBondContact O-N 3.33Å; K365-M367 PolarHBondContact O-N 3.5Å; K365-V368 WeakPolarHBondContact O-CB 3.46Å; K365-V368 PolarHBondContact O-N 3.08Å; K365-T373 HydrophobicContact CB-CG2 4.4Å; K365-T373 HydrophobicContact CD-CG2 4.33Å; K365-L377 HydrophobicContact CB-CD1 3.83Å; K365-L377 HydrophobicContact CB-CD2 4.24Å
366	F	97.9	Very high	95.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61	-28	171	-89.2	-79.8	0	0	0	112.6	I362 V363 V368 R374 L377 L378 F381 Y384 I397 Q400 I401	I362-F366 HydrophobicContact CG2-CD2 3.94Å; I362-F366 HydrophobicContact CG2-CE2 3.81Å; I362-F366 WeakPolarHBondContact O-CD2 3.34Å; I362-F366 PolarHBondContact O-N 3.11Å; V363-F366 PolarHBondContact O-N 3.25Å; F366-V368 PolarHBondContact O-N 2.87Å; F366-R374 PolarHBondContact O-NH2 3.39Å; F366-L377 HydrophobicContact CD1-CD1 4.25Å; F366-L377 HydrophobicContact CD2-CD1 3.88Å; F366-L377 HydrophobicContact CE1-CB 4.34Å; F366-L377 HydrophobicContact CE1-CD1 4.35Å; F366-L377 HydrophobicContact CE2-CB 4.08Å; F366-L377 HydrophobicContact CE2-CD1 3.99Å; F366-L377 HydrophobicContact CE2-CD2 4.43Å; F366-L377 HydrophobicContact CE2-CG 4.41Å; F366-L377 HydrophobicContact CG-CD1 4.01Å; F366-L377 HydrophobicContact CZ-CB 3.84Å; F366-L377 HydrophobicContact CZ-CD1 4.23Å; F366-L378 HydrophobicContact CE1-CD2 4.15Å; F366-L378 HydrophobicContact CZ-CD2 4.45Å; F366-F381 HydrophobicContact CZ-CD2 4.07Å; F366-F381 HydrophobicContact CZ-CE2 4.2Å; F366-Y384 HydrophobicContact CE2-CE2 4.01Å; F366-Y384 WeakPolarHBondContact CE2-OH 3.42Å; F366-Y384 WeakPolarHBondContact CZ-OH 3.5Å; F366-I397 HydrophobicContact CB-CG1 4.37Å; F366-I397 HydrophobicContact CD1-CG2 4.31Å; F366-I397 HydrophobicContact CD2-CD1 4.2Å; F366-I397 HydrophobicContact CD2-CG1 3.98Å; F366-I397 HydrophobicContact CE1-CG2 4.19Å; F366-I397 HydrophobicContact CE2-CD1 4.41Å; F366-I397 HydrophobicContact CE2-CG1 4.49Å; F366-I397 HydrophobicContact CE2-CG2 4.42Å; F366-I397 HydrophobicContact CG-CG1 4.11Å; F366-I397 HydrophobicContact CG-CG2 4.48Å; F366-I397 HydrophobicContact CZ-CG2 4.25Å; F366-Q400 HydrophobicContact CD1-CB 4.37Å; F366-Q400 WeakPolarHBondContact O-CG 3.42Å; F366-I401 HydrophobicContact CE1-CD1 4.21Å; F366-I401 HydrophobicContact CE1-CG1 4Å
367	M	96	Very high	96	Very high	95 Å²	95	26.8 Å²	26.8	47%	0.468	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-11.7	176	-67.1	-56	-37.6	0	0	114.3	V363 Q364 K365 V396 Q400	V363-M367 PolarHBondContact O-N 2.76Å; Q364-M367 WeakPolarHBondContact O-CB 3.4Å; Q364-M367 PolarHBondContact O-N 2.89Å; K365-M367 PolarHBondContact O-N 3.5Å; M367-V396 HydrophobicContact CG-CG1 4.04Å; M367-V396 HydrophobicContact SD-CG1 3.53Å; M367-V396 VanDerWaalsContact SD-CG1 3.53Å; M367-Q400 HydrophobicContact SD-CG 4.28Å
368	V	92.8	Very high	96.1	Very high	34 Å²	34	26.1 Å²	26.1	21%	0.206	13%	0.133	C	C	.	.			trans	-86.3	119.6	175.4	-174.8	0	0	0	0	109.2	K365 F366 E370	K365-V368 WeakPolarHBondContact O-CB 3.46Å; K365-V368 PolarHBondContact O-N 3.08Å; F366-V368 PolarHBondContact O-N 2.87Å; V368-E370 HydrophobicContact CG1-CB 3.85Å; V368-E370 PolarHBondContact O-N 3.2Å; V368-E370 VanDerWaalsContact O-N 3.09Å
369	N	92.9	Very high	96.2	Very high	49 Å²	49	30.8 Å²	30.8	26%	0.262	15%	0.154	S	C	.	.			trans	-86.1	45.9	179.2	-64.6	-55.2	0	0	0	113	Q400 R403 F476 Y477	N369-Q400 PolarHBondContact OD1-OE1 3.35Å; N369-R403 PolarHBondContact ND2-NH1 3.22Å; N369-R403 VanDerWaalsContact ND2-NH1 3.17Å; N369-R403 PolarHBondContact OD1-NH1 3.09Å; N369-F476 VanDerWaalsContact C-CD1 3.44Å; N369-F476 HydrophobicContact CB-CD1 4.17Å; N369-F476 HydrophobicContact CB-CE1 4.17Å; N369-F476 WeakPolarHBondContact O-CA 3.23Å; N369-Y477 WeakPolarHBondContact O-CD1 3.38Å; N369-Y477 WeakPolarHBondContact O-CE1 3.01Å; N369-Y477 PolarHBondContact O-N 3.23Å; N369-Y477 VanDerWaalsContact O-N 3.15Å
370	E	93.5	Very high	96.1	Very high	6 Å²	6	32.2 Å²	32.2	3%	0.028	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-104.3	133.7	176.7	-166.1	-77.2	127	0	0	109.3	V368 H372 T373 R374 Y477 A479	V368-E370 HydrophobicContact CG1-CB 3.85Å; V368-E370 PolarHBondContact O-N 3.2Å; V368-E370 VanDerWaalsContact O-N 3.09Å; E370-H372 PolarHBondContact OE1-N 3.46Å; E370-H372 PolarHBondContact OE2-N 3.29Å; E370-T373 VanDerWaalsContact OE2-CB 3.24Å; E370-T373 WeakPolarHBondContact OE2-CB 3.26Å; E370-T373 PolarHBondContact OE2-N 2.98Å; E370-T373 PolarHBondContact OE2-OG1 3.41Å; E370-R374 WeakPolarHBondContact O-CB 3.35Å; E370-R374 PolarHBondContact O-N 3.13Å; E370-Y477 WeakPolarHBondContact CA-O 3.32Å; E370-Y477 HydrophobicContact CB-CD2 4.45Å; E370-Y477 HydrophobicContact CB-CE1 4.18Å; E370-Y477 HydrophobicContact CB-CE2 3.82Å; E370-Y477 HydrophobicContact CG-CD2 4.05Å; E370-Y477 HydrophobicContact CG-CE2 3.56Å; E370-A479 HydrophobicContact CG-CB 4.11Å; E370-A479 PolarHBondContact OE1-N 3.14Å
371	R	94.5	Very high	96.2	Very high	30 Å²	30	29.8 Å²	29.8	11%	0.113	15%	0.145	C	C	.	.	H	α-helix	trans	-64.1	-49.4	-167.5	-172.8	-175.2	-58.3	121.9	11.3	112.5	R374 I375 L412 F476 Y477 E478	R371-R374 PolarHBondContact O-N 3.04Å; R371-I375 HydrophobicContact CG-CD1 3.97Å; R371-I375 WeakPolarHBondContact O-CG1 3.34Å; R371-I375 PolarHBondContact O-N 2.92Å; R371-L412 HydrophobicContact CG-CD2 4.08Å; R371-F476 HydrophobicContact CB-CB 4Å; R371-F476 PolarHBondContact NH2-O 3.02Å; R371-Y477 PolarHBondContact N-O 3.18Å; R371-E478 IonicContact CZ-OE2 3.89Å; R371-E478 VanDerWaalsContact NH1-CD 3.3Å; R371-E478 IonicContact NH1-OE2 3.96Å; R371-E478 PolarHBondContact NH1-OE2 3.04Å
372	H	92.7	Very high	96.1	Very high	72 Å²	72	32.6 Å²	32.6	33%	0.333	16%	0.163	S	C	.	.	H	α-helix	trans	-68.8	-39.8	-175.4	-167	60.9	0	0	0	111.5	L320 Q325 E370 R374 I375 L376	L320-H372 HydrophobicContact CD2-CB 4.26Å; Q325-H372 PolarHBondContact NE2-NE2 3.41Å; E370-H372 PolarHBondContact OE1-N 3.46Å; E370-H372 PolarHBondContact OE2-N 3.29Å; H372-R374 VanDerWaalsContact C-N 3.3Å; H372-R374 PolarHBondContact O-N 2.85Å; H372-I375 PolarHBondContact O-N 3.07Å; H372-L376 WeakPolarHBondContact O-CB 3.33Å; H372-L376 PolarHBondContact O-N 3.31Å
373	T	94.7	Very high	95.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-53.3	-50.6	170.8	-59.2	0	0	0	0	109.8	F319 L320 K365 E370 L376 L377	F319-T373 HydrophobicContact CD1-CG2 4.5Å; F319-T373 HydrophobicContact CE1-CG2 3.95Å; L320-T373 WeakPolarHBondContact CD2-OG1 3.06Å; K365-T373 HydrophobicContact CB-CG2 4.4Å; K365-T373 HydrophobicContact CD-CG2 4.33Å; E370-T373 VanDerWaalsContact OE2-CB 3.24Å; E370-T373 WeakPolarHBondContact OE2-CB 3.26Å; E370-T373 PolarHBondContact OE2-N 2.98Å; E370-T373 PolarHBondContact OE2-OG1 3.41Å; T373-L376 PolarHBondContact O-N 3.48Å; T373-L377 HydrophobicContact CG2-CD1 4.23Å; T373-L377 VanDerWaalsContact O-CG 3.3Å; T373-L377 WeakPolarHBondContact O-CG 3.42Å; T373-L377 PolarHBondContact O-N 2.89Å
374	R	97.1	Very high	95.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-66.7	-42.1	-178.5	-173.7	60.8	65.4	78.2	2	112.4	F366 E370 R371 H372 L377 L378 Q400 L412 F476	F366-R374 PolarHBondContact O-NH2 3.39Å; E370-R374 WeakPolarHBondContact O-CB 3.35Å; E370-R374 PolarHBondContact O-N 3.13Å; R371-R374 PolarHBondContact O-N 3.04Å; H372-R374 VanDerWaalsContact C-N 3.3Å; H372-R374 PolarHBondContact O-N 2.85Å; R374-L377 PolarHBondContact O-N 3.18Å; R374-L378 HydrophobicContact CG-CD1 3.76Å; R374-L378 HydrophobicContact CG-CG 4.25Å; R374-L378 WeakPolarHBondContact O-CB 3.33Å; R374-L378 WeakPolarHBondContact O-CG 3.49Å; R374-L378 PolarHBondContact O-N 3.41Å; R374-Q400 VanDerWaalsContact NH1-C 3.29Å; R374-Q400 PolarHBondContact NH1-O 2.9Å; R374-Q400 VanDerWaalsContact NH2-OE1 3.13Å; R374-L412 HydrophobicContact CB-CD1 3.9Å; R374-L412 HydrophobicContact CG-CD1 3.36Å; R374-F476 HydrophobicContact CB-CD1 4.2Å; R374-F476 HydrophobicContact CB-CE1 4.16Å; R374-F476 HydrophobicContact CG-CE1 4.15Å; R374-F476 VanDerWaalsContact NH2-CE1 3.35Å
375	I	97.2	Very high	95.7	Very high	15 Å²	15	27.6 Å²	27.6	8%	0.077	14%	0.139	C	C	.	.	H	α-helix	trans	-57.7	-49.9	175.5	-73.9	172	0	0	0	110.2	R371 H372 L377 L378 Q379 L412 L415	R371-I375 HydrophobicContact CG-CD1 3.97Å; R371-I375 WeakPolarHBondContact O-CG1 3.34Å; R371-I375 PolarHBondContact O-N 2.92Å; H372-I375 PolarHBondContact O-N 3.07Å; I375-L377 PolarHBondContact O-N 3.45Å; I375-L378 PolarHBondContact O-N 3.41Å; I375-Q379 HydrophobicContact CG2-CG 4.25Å; I375-Q379 WeakPolarHBondContact O-CB 3.38Å; I375-Q379 VanDerWaalsContact O-CG 3.29Å; I375-Q379 WeakPolarHBondContact O-CG 3.43Å; I375-Q379 PolarHBondContact O-N 2.8Å; I375-L412 HydrophobicContact CD1-CB 4.27Å; I375-L412 HydrophobicContact CG1-CB 3.99Å; I375-L412 HydrophobicContact CG1-CD1 4.23Å; I375-L415 HydrophobicContact CB-CD1 4.3Å; I375-L415 HydrophobicContact CG1-CD1 4.34Å; I375-L415 HydrophobicContact CG2-CD1 3.81Å
376	L	95.7	Very high	95.6	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.01	16%	0.161	C	C	.	.	H	α-helix	trans	-61.3	-43.7	-178.8	-176.1	64.4	0	0	0	112	F319 Q325 L328 H372 T373 H380	F319-L376 HydrophobicContact CD1-CD2 4.25Å; F319-L376 HydrophobicContact CE1-CD2 3.68Å; F319-L376 HydrophobicContact CZ-CD2 3.85Å; Q325-L376 HydrophobicContact CG-CD1 4.4Å; Q325-L376 HydrophobicContact CG-CD2 4.31Å; L328-L376 HydrophobicContact CD1-CD2 4.31Å; H372-L376 WeakPolarHBondContact O-CB 3.33Å; H372-L376 PolarHBondContact O-N 3.31Å; T373-L376 PolarHBondContact O-N 3.48Å; L376-H380 PolarHBondContact O-CD2 2.94Å
377	L	98.3	Very high	95.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-59.5	-48.2	174.6	-70.1	172.5	0	0	0	111.1	F319 F332 I362 K365 F366 T373 R374 I375 Q379 H380 F381 Y384	F319-L377 HydrophobicContact CZ-CD2 4.17Å; F332-L377 HydrophobicContact CZ-CD2 4.06Å; I362-L377 HydrophobicContact CG2-CD2 4.46Å; K365-L377 HydrophobicContact CB-CD1 3.83Å; K365-L377 HydrophobicContact CB-CD2 4.24Å; F366-L377 HydrophobicContact CD1-CD1 4.25Å; F366-L377 HydrophobicContact CD2-CD1 3.88Å; F366-L377 HydrophobicContact CE1-CB 4.34Å; F366-L377 HydrophobicContact CE1-CD1 4.35Å; F366-L377 HydrophobicContact CE2-CB 4.08Å; F366-L377 HydrophobicContact CE2-CD1 3.99Å; F366-L377 HydrophobicContact CE2-CD2 4.43Å; F366-L377 HydrophobicContact CE2-CG 4.41Å; F366-L377 HydrophobicContact CG-CD1 4.01Å; F366-L377 HydrophobicContact CZ-CB 3.84Å; F366-L377 HydrophobicContact CZ-CD1 4.23Å; T373-L377 HydrophobicContact CG2-CD1 4.23Å; T373-L377 VanDerWaalsContact O-CG 3.3Å; T373-L377 WeakPolarHBondContact O-CG 3.42Å; T373-L377 PolarHBondContact O-N 2.89Å; R374-L377 PolarHBondContact O-N 3.18Å; I375-L377 PolarHBondContact O-N 3.45Å; L377-Q379 PolarHBondContact O-N 3.08Å; L377-H380 CarbonylContact O-C 3.47Å; L377-H380 PolarHBondContact O-N 3.15Å; L377-F381 PolarHBondContact O-N 3.11Å; L377-F381 VanDerWaalsContact O-N 3.14Å; L377-Y384 VanDerWaalsContact C-OH 3.28Å; L377-Y384 PolarHBondContact O-OH 3.24Å
378	L	98.7	Very high	95.5	Very high	9 Å²	9	28.3 Å²	28.3	5%	0.047	14%	0.14	C	C	.	.	H	α-helix	trans	-69.3	-32.9	-176.3	-67.7	171	0	0	0	113	F366 R374 I375 H380 F381 I401 L412 L415 S416 A419	F366-L378 HydrophobicContact CE1-CD2 4.15Å; F366-L378 HydrophobicContact CZ-CD2 4.45Å; R374-L378 HydrophobicContact CG-CD1 3.76Å; R374-L378 HydrophobicContact CG-CG 4.25Å; R374-L378 WeakPolarHBondContact O-CB 3.33Å; R374-L378 WeakPolarHBondContact O-CG 3.49Å; R374-L378 PolarHBondContact O-N 3.41Å; I375-L378 PolarHBondContact O-N 3.41Å; L378-H380 PolarHBondContact O-N 3.24Å; L378-F381 VanDerWaalsContact O-CB 3.29Å; L378-F381 WeakPolarHBondContact O-CB 3.32Å; L378-F381 PolarHBondContact O-N 2.84Å; L378-I401 HydrophobicContact CD2-CD1 3.9Å; L378-I401 HydrophobicContact CD2-CG1 3.99Å; L378-L412 HydrophobicContact CD1-CD1 3.71Å; L378-L415 HydrophobicContact CB-CB 3.79Å; L378-L415 HydrophobicContact CB-CD1 4.39Å; L378-L415 HydrophobicContact CD1-CB 3.95Å; L378-S416 WeakPolarHBondContact CD1-OG 3.42Å; L378-A419 HydrophobicContact CD2-CB 3.66Å
379	Q	97.5	Very high	95.6	Very high	98 Å²	98	29.7 Å²	29.7	46%	0.458	15%	0.149	S	C	.	.	H	α-helix	trans	-58.5	-33.1	174.6	-79.4	174.3	-34.7	0	0	112.5	I375 L377 L415	I375-Q379 HydrophobicContact CG2-CG 4.25Å; I375-Q379 WeakPolarHBondContact O-CB 3.38Å; I375-Q379 VanDerWaalsContact O-CG 3.29Å; I375-Q379 WeakPolarHBondContact O-CG 3.43Å; I375-Q379 PolarHBondContact O-N 2.8Å; L377-Q379 PolarHBondContact O-N 3.08Å; Q379-L415 HydrophobicContact CG-CD1 3.81Å; Q379-L415 HydrophobicContact CG-CD2 4.14Å
380	H	96.9	Very high	95.8	Very high	37 Å²	37	31 Å²	31	17%	0.171	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	15.3	179.9	-61.9	-64.4	0	0	0	113.2	A329 F332 H333 L376 L377 L378 T382 G383 Y384	A329-H380 WeakPolarHBondContact CB-CE1 3.43Å; A329-H380 WeakPolarHBondContact CB-NE2 3.46Å; F332-H380 HydrophobicContact CB-CB 3.84Å; F332-H380 HydrophobicContact CD2-CB 3.66Å; F332-H380 AromaticContact CD2-CD2 3.87Å; F332-H380 AromaticContact CD2-CG 3.9Å; F332-H380 HydrophobicContact CG-CB 4.11Å; H333-H380 AromaticContact CD2-ND1 3.84Å; H333-H380 AromaticContact NE2-ND1 3.44Å; H333-H380 PolarHBondContact NE2-ND1 2.69Å; L376-H380 PolarHBondContact O-CD2 2.94Å; L377-H380 CarbonylContact O-C 3.47Å; L377-H380 PolarHBondContact O-N 3.15Å; L378-H380 PolarHBondContact O-N 3.24Å; H380-T382 VanDerWaalsContact C-N 3.27Å; H380-T382 PolarHBondContact O-N 3.12Å; H380-G383 PolarHBondContact O-N 3.2Å; H380-Y384 HydrophobicContact CB-CE1 4.31Å; H380-Y384 VanDerWaalsContact O-CD1 3.31Å; H380-Y384 WeakPolarHBondContact O-CD1 3.45Å; H380-Y384 WeakPolarHBondContact O-CE1 3.32Å
381	F	97.9	Very high	96	Very high	4 Å²	4	34.1 Å²	34.1	2%	0.018	18%	0.178	C	C	.	.	H	α-helix	trans	-56.1	-40.5	-171.7	-172	-118.6	0	0	0	113.3	F366 L377 L378 G383 Y384 L385 I397 I401 A419 C422 L423	F366-F381 HydrophobicContact CZ-CD2 4.07Å; F366-F381 HydrophobicContact CZ-CE2 4.2Å; L377-F381 PolarHBondContact O-N 3.11Å; L377-F381 VanDerWaalsContact O-N 3.14Å; L378-F381 VanDerWaalsContact O-CB 3.29Å; L378-F381 WeakPolarHBondContact O-CB 3.32Å; L378-F381 PolarHBondContact O-N 2.84Å; F381-G383 PolarHBondContact O-N 3.41Å; F381-Y384 AromaticContact CD2-CE2 3.72Å; F381-Y384 HydrophobicContact CD2-CE2 3.72Å; F381-Y384 AromaticContact CD2-CZ 3.93Å; F381-Y384 HydrophobicContact CE2-CE2 4.18Å; F381-Y384 PolarHBondContact O-N 2.79Å; F381-L385 HydrophobicContact CD1-CD2 4.42Å; F381-L385 HydrophobicContact CE1-CB 4.5Å; F381-L385 HydrophobicContact CE1-CD1 3.92Å; F381-L385 HydrophobicContact CE1-CD2 4.01Å; F381-L385 HydrophobicContact CE1-CG 4.37Å; F381-L385 HydrophobicContact CZ-CD1 3.77Å; F381-L385 VanDerWaalsContact O-CB 3.25Å; F381-L385 WeakPolarHBondContact O-CB 3.42Å; F381-L385 PolarHBondContact O-N 2.9Å; F381-I397 HydrophobicContact CE2-CG2 3.95Å; F381-I397 HydrophobicContact CZ-CG2 4.32Å; F381-I401 HydrophobicContact CD2-CD1 4.41Å; F381-I401 HydrophobicContact CE1-CD1 4.34Å; F381-I401 HydrophobicContact CE2-CD1 3.76Å; F381-I401 HydrophobicContact CZ-CD1 3.7Å; F381-A419 HydrophobicContact CD1-CB 3.61Å; F381-A419 HydrophobicContact CE1-CB 3.83Å; F381-A419 HydrophobicContact CG-CB 4.12Å; F381-A419 HydrophobicContact CZ-CB 4.5Å; F381-C422 HydrophobicContact CD1-CB 4.18Å; F381-C422 HydrophobicContact CE1-CB 4.05Å; F381-L423 HydrophobicContact CE1-CD2 4.32Å; F381-L423 HydrophobicContact CE1-CG 4.1Å; F381-L423 HydrophobicContact CZ-CD1 4.46Å; F381-L423 HydrophobicContact CZ-CD2 3.87Å; F381-L423 HydrophobicContact CZ-CG 3.95Å
382	T	94.6	Very high	96.1	Very high	83 Å²	83	34.8 Å²	34.8	51%	0.509	18%	0.184	S	C	.	.	H	α-helix	trans	-65.6	-23.8	179.5	54.1	0	0	0	0	113.2	H380	H380-T382 VanDerWaalsContact C-N 3.27Å; H380-T382 PolarHBondContact O-N 3.12Å
383	G	93	Very high	96.4	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.01	17%	0.168	C	C	.	.	H	α-helix	trans	-68.3	-34	-179.9	0	0	0	0	0	113.7	F332 H333 N338 H380 F381	F332-G383 CarbonylContact O-C 3.53Å; F332-G383 WeakPolarHBondContact O-CA 3.47Å; F332-G383 VanDerWaalsContact O-O 3.12Å; H333-G383 WeakPolarHBondContact CE1-CA 3.44Å; H333-G383 VanDerWaalsContact ND1-CA 3.31Å; H333-G383 WeakPolarHBondContact ND1-CA 3.42Å; N338-G383 PolarHBondContact ND2-O 3.32Å; H380-G383 PolarHBondContact O-N 3.2Å; F381-G383 PolarHBondContact O-N 3.41Å
384	Y	96	Very high	96.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-118.9	-8.8	-176.1	55.7	-101.6	0	0	0	114	F332 I362 F366 L377 H380 F381 K386 V387 L388	F332-Y384 HydrophobicContact CB-CD1 3.94Å; F332-Y384 HydrophobicContact CB-CE1 4.42Å; F332-Y384 HydrophobicContact CD1-CD1 4.02Å; F332-Y384 HydrophobicContact CD1-CE1 4.27Å; F332-Y384 HydrophobicContact CG-CD1 4.06Å; F332-Y384 HydrophobicContact CG-CE1 4.21Å; F332-Y384 PolarHBondContact O-N 2.83Å; I362-Y384 HydrophobicContact CD1-CD1 3.9Å; I362-Y384 HydrophobicContact CD1-CD2 4.03Å; I362-Y384 HydrophobicContact CD1-CE1 4.45Å; I362-Y384 HydrophobicContact CD1-CG 3.66Å; I362-Y384 HydrophobicContact CG2-CD2 3.95Å; I362-Y384 HydrophobicContact CG2-CE2 3.63Å; F366-Y384 HydrophobicContact CE2-CE2 4.01Å; F366-Y384 WeakPolarHBondContact CE2-OH 3.42Å; F366-Y384 WeakPolarHBondContact CZ-OH 3.5Å; L377-Y384 VanDerWaalsContact C-OH 3.28Å; L377-Y384 PolarHBondContact O-OH 3.24Å; H380-Y384 HydrophobicContact CB-CE1 4.31Å; H380-Y384 VanDerWaalsContact O-CD1 3.31Å; H380-Y384 WeakPolarHBondContact O-CD1 3.45Å; H380-Y384 WeakPolarHBondContact O-CE1 3.32Å; F381-Y384 AromaticContact CD2-CE2 3.72Å; F381-Y384 HydrophobicContact CD2-CE2 3.72Å; F381-Y384 AromaticContact CD2-CZ 3.93Å; F381-Y384 HydrophobicContact CE2-CE2 4.18Å; F381-Y384 PolarHBondContact O-N 2.79Å; Y384-K386 VanDerWaalsContact C-N 3.28Å; Y384-K386 PolarHBondContact O-N 3.41Å; Y384-V387 PolarHBondContact O-N 3.34Å; Y384-V387 VanDerWaalsContact O-N 3.15Å; Y384-L388 HydrophobicContact CD2-CD1 3.6Å; Y384-L388 HydrophobicContact CD2-CG 4.23Å; Y384-L388 HydrophobicContact CE2-CD1 3.96Å; Y384-L388 PolarHBondContact O-N 3.12Å
385	L	96	Very high	96.5	Very high	19 Å²	19	39.2 Å²	39.2	10%	0.099	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-50	-45	-178.8	171.1	61.1	0	0	0	113.3	F381 V387 L388 L393 C422 L423	F381-L385 HydrophobicContact CD1-CD2 4.42Å; F381-L385 HydrophobicContact CE1-CB 4.5Å; F381-L385 HydrophobicContact CE1-CD1 3.92Å; F381-L385 HydrophobicContact CE1-CD2 4.01Å; F381-L385 HydrophobicContact CE1-CG 4.37Å; F381-L385 HydrophobicContact CZ-CD1 3.77Å; F381-L385 VanDerWaalsContact O-CB 3.25Å; F381-L385 WeakPolarHBondContact O-CB 3.42Å; F381-L385 PolarHBondContact O-N 2.9Å; L385-V387 PolarHBondContact O-N 3.29Å; L385-L388 PolarHBondContact O-N 2.82Å; L385-L393 HydrophobicContact CD1-CD1 4.07Å; L385-L393 HydrophobicContact CD1-CD2 3.73Å; L385-C422 HydrophobicContact CD2-CB 3.69Å; L385-L423 HydrophobicContact CD1-CD2 3.99Å
386	K	93.4	Very high	96.6	Very high	129 Å²	129	40 Å²	40	56%	0.561	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-65.1	-30.2	-174	-66.1	-175.4	-175.6	172.9	0	113.2	Y384 R426	Y384-K386 VanDerWaalsContact C-N 3.28Å; Y384-K386 PolarHBondContact O-N 3.41Å; K386-R426 PolarHBondContact O-NH1 3.02Å
387	V	94.9	Very high	96.7	Very high	3 Å²	3	40 Å²	40	2%	0.018	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-90.3	-15.7	-172.1	-172.7	0	0	0	0	112	C335 L351 F354 Q355 N359 Y384 L385	C335-V387 HydrophobicContact CB-CG2 3.9Å; C335-V387 VanDerWaalsContact SG-CG2 3.58Å; L351-V387 HydrophobicContact CD1-CG1 3.66Å; L351-V387 HydrophobicContact CD1-CG2 4.37Å; F354-V387 HydrophobicContact CB-CG1 4.44Å; F354-V387 HydrophobicContact CD1-CB 4.12Å; F354-V387 HydrophobicContact CD1-CG1 3.58Å; F354-V387 HydrophobicContact CE1-CB 4.32Å; F354-V387 HydrophobicContact CE1-CG1 4.26Å; F354-V387 HydrophobicContact CG-CG1 4.31Å; Q355-V387 HydrophobicContact CG-CG1 3.53Å; N359-V387 PolarHBondContact ND2-O 2.7Å; Y384-V387 PolarHBondContact O-N 3.34Å; Y384-V387 VanDerWaalsContact O-N 3.15Å; L385-V387 PolarHBondContact O-N 3.29Å
388	L	96.5	Very high	96.7	Very high	3 Å²	3	40 Å²	40	2%	0.016	22%	0.215	C	C	.	.	S	Bend	trans	-71.2	148	176.2	-71.2	170.2	0	0	0	111.5	N359 V363 Y384 L385 L393 I397	N359-L388 HydrophobicContact CB-CD2 4.12Å; V363-L388 HydrophobicContact CG2-CD2 4.04Å; Y384-L388 HydrophobicContact CD2-CD1 3.6Å; Y384-L388 HydrophobicContact CD2-CG 4.23Å; Y384-L388 HydrophobicContact CE2-CD1 3.96Å; Y384-L388 PolarHBondContact O-N 3.12Å; L385-L388 PolarHBondContact O-N 2.82Å; L388-L393 HydrophobicContact CB-CD1 4.27Å; L388-L393 HydrophobicContact CB-CD2 3.85Å; L388-L393 HydrophobicContact CB-CG 3.91Å; L388-L393 HydrophobicContact CD1-CD2 3.67Å; L388-L393 HydrophobicContact CG-CD2 4.44Å; L388-I397 HydrophobicContact CD1-CD1 3.42Å; L388-I397 VanDerWaalsContact CD1-CD1 3.42Å; L388-I397 HydrophobicContact CD2-CD1 4.24Å; L388-I397 HydrophobicContact CG-CD1 4.4Å
389	T	95.7	Very high	96.7	Very high	64 Å²	64	40.8 Å²	40.8	39%	0.393	22%	0.221	S	C	.	.			trans	-75	146	176.8	77	0	0	0	0	110.5	S391 D392 L393	T389-S391 PolarHBondContact O-N 3.32Å; T389-D392 PolarHBondContact O-N 3.02Å; T389-D392 VanDerWaalsContact O-N 3.12Å; T389-D392 WeakPolarHBondContact OG1-CB 3.18Å; T389-D392 PolarHBondContact OG1-N 3.17Å; T389-D392 VanDerWaalsContact OG1-N 3.08Å; T389-D392 PolarHBondContact OG1-OD2 3.22Å; T389-L393 WeakPolarHBondContact O-CG 3.25Å; T389-L393 PolarHBondContact O-N 2.89Å
390	D	96.4	Very high	96.8	Very high	76 Å²	76	37.3 Å²	37.3	41%	0.406	21%	0.205	S	C	.	.	H	α-helix	trans	-61.5	-29.9	177.6	-66.4	-11.2	0	0	0	111.7	L393 L394 R426	D390-L393 PolarHBondContact O-N 2.88Å; D390-L394 VanDerWaalsContact O-CB 3.27Å; D390-L394 WeakPolarHBondContact O-CB 3.18Å; D390-L394 WeakPolarHBondContact O-CD1 3.28Å; D390-L394 VanDerWaalsContact O-CG 3.25Å; D390-L394 WeakPolarHBondContact O-CG 3.38Å; D390-L394 PolarHBondContact O-N 3.39Å; D390-R426 IonicContact OD1-CZ 2.76Å; D390-R426 IonicContact OD1-NE 3.81Å; D390-R426 PolarHBondContact OD1-NE 3.07Å; D390-R426 IonicContact OD1-NH2 3.32Å; D390-R426 PolarHBondContact OD1-NH2 3.14Å
391	S	97.3	Very high	96.8	Very high	71 Å²	71	35.6 Å²	35.6	50%	0.497	20%	0.197	S	C	.	.	H	α-helix	trans	-63.2	-47.5	173.6	-177.6	0	0	0	0	112.2	T389 L393 L394 N395	T389-S391 PolarHBondContact O-N 3.32Å; S391-L393 VanDerWaalsContact C-N 3.34Å; S391-L394 PolarHBondContact O-N 2.8Å; S391-N395 VanDerWaalsContact O-CB 3.26Å; S391-N395 WeakPolarHBondContact O-CB 3.17Å; S391-N395 PolarHBondContact O-N 3.4Å; S391-N395 PolarHBondContact O-ND2 2.84Å; S391-N395 PolarHBondContact OG-ND2 3.05Å
392	D	98	Very high	96.9	Very high	45 Å²	45	35.4 Å²	35.4	24%	0.241	20%	0.196	C	C	.	.	H	α-helix	trans	-66.5	-39.7	177.6	-66.5	-43.5	0	0	0	111.1	V363 T389 V396 I397	V363-D392 HydrophobicContact CG2-CB 3.92Å; T389-D392 PolarHBondContact O-N 3.02Å; T389-D392 VanDerWaalsContact O-N 3.12Å; T389-D392 WeakPolarHBondContact OG1-CB 3.18Å; T389-D392 PolarHBondContact OG1-N 3.17Å; T389-D392 VanDerWaalsContact OG1-N 3.08Å; T389-D392 PolarHBondContact OG1-OD2 3.22Å; D392-V396 WeakPolarHBondContact O-CA 3.3Å; D392-V396 WeakPolarHBondContact O-CB 3.33Å; D392-V396 PolarHBondContact O-N 2.85Å; D392-I397 PolarHBondContact O-N 3.08Å
393	L	98.5	Very high	97	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.182	C	C	.	.	I	π-helix	trans	-61.1	-48.2	176.9	-68.2	173.5	0	0	0	111.4	L385 L388 T389 D390 S391 I397 L398 L423 R426 L427	L385-L393 HydrophobicContact CD1-CD1 4.07Å; L385-L393 HydrophobicContact CD1-CD2 3.73Å; L388-L393 HydrophobicContact CB-CD1 4.27Å; L388-L393 HydrophobicContact CB-CD2 3.85Å; L388-L393 HydrophobicContact CB-CG 3.91Å; L388-L393 HydrophobicContact CD1-CD2 3.67Å; L388-L393 HydrophobicContact CG-CD2 4.44Å; T389-L393 WeakPolarHBondContact O-CG 3.25Å; T389-L393 PolarHBondContact O-N 2.89Å; D390-L393 PolarHBondContact O-N 2.88Å; S391-L393 VanDerWaalsContact C-N 3.34Å; L393-I397 HydrophobicContact CD2-CD1 4.07Å; L393-L398 WeakPolarHBondContact O-CB 3.45Å; L393-L398 PolarHBondContact O-N 3.12Å; L393-L423 HydrophobicContact CB-CD2 4.46Å; L393-L423 HydrophobicContact CD2-CD2 3.94Å; L393-R426 HydrophobicContact CD1-CG 3.91Å; L393-L427 HydrophobicContact CB-CD1 4.13Å; L393-L427 HydrophobicContact CB-CD2 4.44Å
394	L	97.9	Very high	97.3	Very high	51 Å²	51	34.1 Å²	34.1	27%	0.267	18%	0.182	S	C	.	.	I	π-helix	trans	-72.9	-48.5	-177.8	-74.7	165.9	0	0	0	113.1	D390 S391 L398 P399 L427 V431	D390-L394 VanDerWaalsContact O-CB 3.27Å; D390-L394 WeakPolarHBondContact O-CB 3.18Å; D390-L394 WeakPolarHBondContact O-CD1 3.28Å; D390-L394 VanDerWaalsContact O-CG 3.25Å; D390-L394 WeakPolarHBondContact O-CG 3.38Å; D390-L394 PolarHBondContact O-N 3.39Å; S391-L394 PolarHBondContact O-N 2.8Å; L394-L398 HydrophobicContact CD2-CD2 4.48Å; L394-P399 VanDerWaalsContact O-CD 3.27Å; L394-P399 WeakPolarHBondContact O-CD 3.38Å; L394-L427 HydrophobicContact CD1-CD2 4.24Å; L394-L427 HydrophobicContact CD2-CB 4.37Å; L394-L427 HydrophobicContact CD2-CD1 3.69Å; L394-L427 HydrophobicContact CD2-CD2 3.94Å; L394-L427 HydrophobicContact CD2-CG 4.21Å; L394-L427 HydrophobicContact CG-CD1 4.02Å; L394-L427 HydrophobicContact CG-CD2 3.78Å; L394-L427 HydrophobicContact CG-CG 4.48Å; L394-V431 HydrophobicContact CD2-CG1 3.55Å
395	N	97.1	Very high	97.4	Very high	113 Å²	113	34.3 Å²	34.3	60%	0.604	18%	0.183	S	C	*	.	I	π-helix	trans	-91.2	-22.4	-167	-62.2	-53.4	0	0	0	113.4	S391	S391-N395 VanDerWaalsContact O-CB 3.26Å; S391-N395 WeakPolarHBondContact O-CB 3.17Å; S391-N395 PolarHBondContact O-N 3.4Å; S391-N395 PolarHBondContact O-ND2 2.84Å; S391-N395 PolarHBondContact OG-ND2 3.05Å
396	V	97.7	Very high	97.4	Very high	33 Å²	33	33.4 Å²	33.4	20%	0.2	18%	0.178	C	C	.	.	I	π-helix	trans	-118.1	-60	-175.8	-172.2	0	0	0	0	110.9	V363 M367 D392 Q400	V363-V396 HydrophobicContact CG1-CB 4.12Å; V363-V396 HydrophobicContact CG1-CG1 3.74Å; V363-V396 HydrophobicContact CG1-CG2 4.29Å; M367-V396 HydrophobicContact CG-CG1 4.04Å; M367-V396 HydrophobicContact SD-CG1 3.53Å; M367-V396 VanDerWaalsContact SD-CG1 3.53Å; D392-V396 WeakPolarHBondContact O-CA 3.3Å; D392-V396 WeakPolarHBondContact O-CB 3.33Å; D392-V396 PolarHBondContact O-N 2.85Å; V396-Q400 WeakPolarHBondContact O-CG 3.4Å; V396-Q400 PolarHBondContact O-N 2.79Å
397	I	98.6	Very high	97.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.151	C	C	.	.	I	π-helix	trans	-74.9	-47.9	-167.5	-66.3	172.2	0	0	0	112.2	V363 F366 F381 L388 D392 L393 Q400 I401	V363-I397 HydrophobicContact CG2-CD1 4.2Å; F366-I397 HydrophobicContact CB-CG1 4.37Å; F366-I397 HydrophobicContact CD1-CG2 4.31Å; F366-I397 HydrophobicContact CD2-CD1 4.2Å; F366-I397 HydrophobicContact CD2-CG1 3.98Å; F366-I397 HydrophobicContact CE1-CG2 4.19Å; F366-I397 HydrophobicContact CE2-CD1 4.41Å; F366-I397 HydrophobicContact CE2-CG1 4.49Å; F366-I397 HydrophobicContact CE2-CG2 4.42Å; F366-I397 HydrophobicContact CG-CG1 4.11Å; F366-I397 HydrophobicContact CG-CG2 4.48Å; F366-I397 HydrophobicContact CZ-CG2 4.25Å; F381-I397 HydrophobicContact CE2-CG2 3.95Å; F381-I397 HydrophobicContact CZ-CG2 4.32Å; L388-I397 HydrophobicContact CD1-CD1 3.42Å; L388-I397 VanDerWaalsContact CD1-CD1 3.42Å; L388-I397 HydrophobicContact CD2-CD1 4.24Å; L388-I397 HydrophobicContact CG-CD1 4.4Å; D392-I397 PolarHBondContact O-N 3.08Å; L393-I397 HydrophobicContact CD2-CD1 4.07Å; I397-Q400 CarbonylContact O-C 3.49Å; I397-Q400 WeakPolarHBondContact O-CA 3.43Å; I397-Q400 WeakPolarHBondContact O-CB 3.49Å; I397-Q400 PolarHBondContact O-N 3.38Å; I397-I401 HydrophobicContact CG2-CD1 3.53Å; I397-I401 HydrophobicContact CG2-CG1 4Å; I397-I401 WeakPolarHBondContact O-CG1 3.42Å; I397-I401 PolarHBondContact O-N 2.94Å
398	L	98.7	Very high	97.6	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-55.9	-50.2	-179	169.9	63.1	0	0	0	112.3	L393 L394 Q400 I401 C402 L420 L423 L427 V431 V432 H435	L393-L398 WeakPolarHBondContact O-CB 3.45Å; L393-L398 PolarHBondContact O-N 3.12Å; L394-L398 HydrophobicContact CD2-CD2 4.48Å; L398-Q400 PolarHBondContact O-N 3.13Å; L398-I401 PolarHBondContact O-N 3.5Å; L398-I401 VanDerWaalsContact O-N 3.15Å; L398-C402 PolarHBondContact O-N 3.35Å; L398-C402 PolarHBondContact O-SG 3.31Å; L398-C402 VanDerWaalsContact O-SG 3.37Å; L398-L420 HydrophobicContact CD1-CD2 3.76Å; L398-L423 HydrophobicContact CB-CD1 3.97Å; L398-L423 HydrophobicContact CD1-CD1 3.71Å; L398-L423 HydrophobicContact CG-CD1 4.43Å; L398-L427 HydrophobicContact CD2-CD1 4.28Å; L398-V431 HydrophobicContact CD2-CG1 4.47Å; L398-V432 HydrophobicContact CD1-CB 4.47Å; L398-V432 HydrophobicContact CD1-CG1 4.09Å; L398-V432 HydrophobicContact CD1-CG2 4.27Å; L398-H435 HydrophobicContact CD1-CB 4.43Å; L398-H435 HydrophobicContact CD2-CB 3.79Å; L398-H435 HydrophobicContact CG-CB 3.98Å
399	P	98.4	Very high	97.5	Very high	27 Å²	27	32 Å²	32	18%	0.175	18%	0.177	C	C	.	.	H	α-helix	trans	-55	-39.8	174.5	-27.5	34.3	0	0	0	113.2	L394 R403 I439	L394-P399 VanDerWaalsContact O-CD 3.27Å; L394-P399 WeakPolarHBondContact O-CD 3.38Å; P399-R403 PolarHBondContact O-N 3.33Å; P399-I439 HydrophobicContact CB-CD1 4.29Å
400	Q	98.3	Very high	97.5	Very high	25 Å²	25	33.7 Å²	33.7	12%	0.117	18%	0.184	C	C	.	.	H	α-helix	trans	-67.7	-42.5	178.8	-67.5	-53.5	-35.9	0	0	111.8	F366 M367 N369 R374 V396 I397 L398 R403 G404	F366-Q400 HydrophobicContact CD1-CB 4.37Å; F366-Q400 WeakPolarHBondContact O-CG 3.42Å; M367-Q400 HydrophobicContact SD-CG 4.28Å; N369-Q400 PolarHBondContact OD1-OE1 3.35Å; R374-Q400 VanDerWaalsContact NH1-C 3.29Å; R374-Q400 PolarHBondContact NH1-O 2.9Å; R374-Q400 VanDerWaalsContact NH2-OE1 3.13Å; V396-Q400 WeakPolarHBondContact O-CG 3.4Å; V396-Q400 PolarHBondContact O-N 2.79Å; I397-Q400 CarbonylContact O-C 3.49Å; I397-Q400 WeakPolarHBondContact O-CA 3.43Å; I397-Q400 WeakPolarHBondContact O-CB 3.49Å; I397-Q400 PolarHBondContact O-N 3.38Å; L398-Q400 PolarHBondContact O-N 3.13Å; Q400-R403 WeakPolarHBondContact O-CB 3.34Å; Q400-R403 PolarHBondContact O-N 2.77Å; Q400-G404 PolarHBondContact O-N 2.89Å
401	I	98.7	Very high	97.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-67.5	-44.4	178.1	-65.3	-176.1	0	0	0	111.2	F366 L378 F381 I397 L398 R403 G404 V405 S416 A419 L420 L423	F366-I401 HydrophobicContact CE1-CD1 4.21Å; F366-I401 HydrophobicContact CE1-CG1 4Å; L378-I401 HydrophobicContact CD2-CD1 3.9Å; L378-I401 HydrophobicContact CD2-CG1 3.99Å; F381-I401 HydrophobicContact CD2-CD1 4.41Å; F381-I401 HydrophobicContact CE1-CD1 4.34Å; F381-I401 HydrophobicContact CE2-CD1 3.76Å; F381-I401 HydrophobicContact CZ-CD1 3.7Å; I397-I401 HydrophobicContact CG2-CD1 3.53Å; I397-I401 HydrophobicContact CG2-CG1 4Å; I397-I401 WeakPolarHBondContact O-CG1 3.42Å; I397-I401 PolarHBondContact O-N 2.94Å; L398-I401 PolarHBondContact O-N 3.5Å; L398-I401 VanDerWaalsContact O-N 3.15Å; I401-R403 PolarHBondContact O-N 3.4Å; I401-G404 WeakPolarHBondContact O-CA 3.39Å; I401-G404 PolarHBondContact O-N 3.46Å; I401-V405 PolarHBondContact O-N 2.77Å; I401-S416 WeakPolarHBondContact CG2-O 3.17Å; I401-A419 HydrophobicContact CD1-CB 3.87Å; I401-A419 HydrophobicContact CG2-CB 4.05Å; I401-L420 HydrophobicContact CB-CD2 4.3Å; I401-L420 HydrophobicContact CG2-CD2 3.6Å; I401-L420 HydrophobicContact CG2-CG 3.93Å; I401-L423 HydrophobicContact CD1-CD1 3.97Å
402	C	98.6	Very high	97.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-54	-41	174.5	-72.7	0	0	0	0	111.5	L398 G404 V405 F406 L436 I439	L398-C402 PolarHBondContact O-N 3.35Å; L398-C402 PolarHBondContact O-SG 3.31Å; L398-C402 VanDerWaalsContact O-SG 3.37Å; C402-G404 VanDerWaalsContact C-N 3.28Å; C402-G404 PolarHBondContact O-N 3.42Å; C402-V405 WeakPolarHBondContact O-CB 3.49Å; C402-V405 PolarHBondContact O-N 3.15Å; C402-F406 VanDerWaalsContact O-CD2 3.26Å; C402-F406 WeakPolarHBondContact O-CD2 3.4Å; C402-L436 HydrophobicContact CB-CD1 4.02Å; C402-I439 HydrophobicContact CB-CB 4.02Å; C402-I439 HydrophobicContact CB-CG1 3.82Å; C402-I439 HydrophobicContact CB-CG2 4.15Å
403	R	97.7	Very high	97.6	Very high	58 Å²	58	28.2 Å²	28.2	22%	0.219	15%	0.152	C	C	.	.	H	α-helix	trans	-61.9	-35.6	175.1	-167.4	172.6	-175.8	-120.5	-9.5	112.7	N369 P399 Q400 I401 V405 F406 I439 L475 F476	N369-R403 PolarHBondContact ND2-NH1 3.22Å; N369-R403 VanDerWaalsContact ND2-NH1 3.17Å; N369-R403 PolarHBondContact OD1-NH1 3.09Å; P399-R403 PolarHBondContact O-N 3.33Å; Q400-R403 WeakPolarHBondContact O-CB 3.34Å; Q400-R403 PolarHBondContact O-N 2.77Å; I401-R403 PolarHBondContact O-N 3.4Å; R403-V405 VanDerWaalsContact C-N 3.3Å; R403-V405 PolarHBondContact O-N 2.99Å; R403-F406 PolarHBondContact O-N 3.18Å; R403-I439 HydrophobicContact CB-CG2 4.39Å; R403-L475 HydrophobicContact CG-CB 4.37Å; R403-L475 HydrophobicContact CG-CD1 3.95Å; R403-L475 PolarHBondContact NH1-O 3.45Å; R403-L475 PolarHBondContact NH2-O 2.91Å; R403-L475 VanDerWaalsContact O-CD1 3.25Å; R403-L475 WeakPolarHBondContact O-CD1 3.29Å; R403-F476 HydrophobicContact CG-CE2 4.18Å; R403-F476 HydrophobicContact CG-CZ 4.48Å
404	G	97.9	Very high	97.6	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-67.3	-26.5	177.3	0	0	0	0	0	114	Q400 I401 C402 F406 D407 S413 S416	Q400-G404 PolarHBondContact O-N 2.89Å; I401-G404 WeakPolarHBondContact O-CA 3.39Å; I401-G404 PolarHBondContact O-N 3.46Å; C402-G404 VanDerWaalsContact C-N 3.28Å; C402-G404 PolarHBondContact O-N 3.42Å; G404-F406 VanDerWaalsContact C-N 3.26Å; G404-F406 PolarHBondContact O-N 3.04Å; G404-D407 WeakPolarHBondContact O-CB 3.48Å; G404-D407 PolarHBondContact O-N 3.5Å; G404-S413 WeakPolarHBondContact O-CA 3.27Å; G404-S416 WeakPolarHBondContact CA-OG 3.38Å
405	V	98.1	Very high	97.7	Very high	4 Å²	4	29.5 Å²	29.5	2%	0.024	16%	0.161	C	C	.	.	H	α-helix	trans	-62.7	-33.7	175.6	174.8	0	0	0	0	112.2	I401 C402 R403 D407 L417 L420 L436 W470	I401-V405 PolarHBondContact O-N 2.77Å; C402-V405 WeakPolarHBondContact O-CB 3.49Å; C402-V405 PolarHBondContact O-N 3.15Å; R403-V405 VanDerWaalsContact C-N 3.3Å; R403-V405 PolarHBondContact O-N 2.99Å; V405-D407 VanDerWaalsContact C-N 3.34Å; V405-L417 HydrophobicContact CB-CD2 4.47Å; V405-L417 HydrophobicContact CG1-CD2 3.64Å; V405-L417 HydrophobicContact CG1-CG 4.07Å; V405-L417 HydrophobicContact CG2-CD2 4Å; V405-L417 HydrophobicContact CG2-CG 4.15Å; V405-L420 HydrophobicContact CG2-CD1 3.6Å; V405-L420 HydrophobicContact CG2-CG 4.17Å; V405-L436 HydrophobicContact CB-CD1 4.18Å; V405-L436 HydrophobicContact CG1-CD1 4.25Å; V405-L436 HydrophobicContact CG2-CD1 4.36Å; V405-W470 HydrophobicContact CG1-CZ2 4.08Å
406	F	97.4	Very high	97.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	5	179.1	-59.8	-76	0	0	0	113.5	C402 R403 G404 L436 I439 E440 L443 L449 W470 P471 R472 N473 L475	C402-F406 VanDerWaalsContact O-CD2 3.26Å; C402-F406 WeakPolarHBondContact O-CD2 3.4Å; R403-F406 PolarHBondContact O-N 3.18Å; G404-F406 VanDerWaalsContact C-N 3.26Å; G404-F406 PolarHBondContact O-N 3.04Å; F406-L436 HydrophobicContact CD2-CD1 4.5Å; F406-L436 HydrophobicContact CE2-CD1 3.54Å; F406-L436 HydrophobicContact CE2-CG 4.38Å; F406-L436 HydrophobicContact CZ-CD1 3.82Å; F406-L436 HydrophobicContact CZ-CG 4.27Å; F406-I439 HydrophobicContact CD2-CG2 4.36Å; F406-I439 HydrophobicContact CE2-CG2 4.3Å; F406-E440 HydrophobicContact CE1-CB 4.06Å; F406-E440 HydrophobicContact CE1-CG 3.82Å; F406-E440 HydrophobicContact CE2-CB 4.07Å; F406-E440 HydrophobicContact CZ-CB 3.51Å; F406-E440 HydrophobicContact CZ-CG 3.81Å; F406-L443 HydrophobicContact CB-CD1 4.15Å; F406-L443 HydrophobicContact CD2-CD1 3.89Å; F406-L443 HydrophobicContact CG-CD1 4.2Å; F406-L449 HydrophobicContact CB-CD1 4.16Å; F406-L449 HydrophobicContact CB-CD2 4.26Å; F406-L449 HydrophobicContact CD1-CD1 3.81Å; F406-L449 HydrophobicContact CE1-CD1 4.41Å; F406-L449 HydrophobicContact CG-CD1 3.99Å; F406-W470 AromaticContact CD1-CE2 3.95Å; F406-W470 HydrophobicContact CD1-CZ2 4.13Å; F406-W470 AromaticContact CD1-NE1 3.4Å; F406-W470 AromaticContact CE1-CE2 3.54Å; F406-W470 HydrophobicContact CE1-CH2 4.27Å; F406-W470 AromaticContact CE1-CZ2 3.32Å; F406-W470 HydrophobicContact CE1-CZ2 3.32Å; F406-W470 AromaticContact CE1-NE1 3.51Å; F406-W470 HydrophobicContact CZ-CH2 4.5Å; F406-W470 AromaticContact CZ-CZ2 3.69Å; F406-W470 HydrophobicContact CZ-CZ2 3.69Å; F406-P471 HydrophobicContact CD1-CG 4.25Å; F406-P471 WeakPolarHBondContact CD1-O 3.33Å; F406-P471 HydrophobicContact CE1-CG 4.27Å; F406-R472 VanDerWaalsContact O-CA 3.29Å; F406-R472 WeakPolarHBondContact O-CA 3.34Å; F406-N473 PolarHBondContact O-N 3.4Å; F406-L475 HydrophobicContact CB-CD1 3.71Å
407	D	96.6	Very high	97.8	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-74.3	143.8	177.7	-163.6	-97.3	0	0	0	111.5	G404 V405 H409 L412 R472 N473 L475 F476	G404-D407 WeakPolarHBondContact O-CB 3.48Å; G404-D407 PolarHBondContact O-N 3.5Å; V405-D407 VanDerWaalsContact C-N 3.34Å; D407-H409 PolarHBondContact O-N 2.77Å; D407-H409 WeakPolarHBondContact OD1-CB 3.47Å; D407-H409 PolarHBondContact OD1-N 3.5Å; D407-L412 HydrophobicContact CB-CD2 3.85Å; D407-L412 HydrophobicContact CB-CG 4.28Å; D407-R472 WeakPolarHBondContact O-CD 3.43Å; D407-N473 CarbonylContact C-O 3.6Å; D407-N473 VanDerWaalsContact CA-O 3.29Å; D407-N473 WeakPolarHBondContact CA-O 3.25Å; D407-L475 WeakPolarHBondContact OD2-CA 3.34Å; D407-L475 PolarHBondContact OD2-N 2.93Å; D407-F476 HydrophobicContact CB-CD2 4.15Å; D407-F476 WeakPolarHBondContact OD2-CD2 3.3Å; D407-F476 PolarHBondContact OD2-N 2.76Å
408	S	94.8	Very high	97.8	Very high	39 Å²	39	32.6 Å²	32.6	27%	0.273	17%	0.172	S	C	.	.	S	Bend	trans	-65.6	-27	177.6	63.4	0	0	0	0	112.9	N410 N473 N474	S408-N410 PolarHBondContact O-N 3.42Å; S408-N473 PolarHBondContact N-O 3.22Å; S408-N474 PolarHBondContact OG-OD1 3.3Å
409	H	95.5	Very high	97.8	Very high	67 Å²	67	32.7 Å²	32.7	31%	0.31	17%	0.173	S	C	.	.			trans	-77.1	111.3	-177.3	-172.3	-88.2	0	0	0	111.1	D407 T411 L412 S413	D407-H409 PolarHBondContact O-N 2.77Å; D407-H409 WeakPolarHBondContact OD1-CB 3.47Å; D407-H409 PolarHBondContact OD1-N 3.5Å; H409-T411 PolarHBondContact O-N 2.58Å; H409-L412 HydrophobicContact CB-CB 4.3Å; H409-L412 PolarHBondContact ND1-N 3.22Å; H409-L412 WeakPolarHBondContact O-CB 3.37Å; H409-L412 PolarHBondContact O-N 2.97Å; H409-S413 PolarHBondContact O-N 2.66Å
410	N	95.7	Very high	97.8	Very high	99 Å²	99	32 Å²	32	53%	0.529	17%	0.168	S	C	.	.	H	α-helix	trans	-58.6	-41.9	-167.7	-163.2	62.9	0	0	0	114.3	S408 L412 S413 V414 R472	S408-N410 PolarHBondContact O-N 3.42Å; N410-L412 VanDerWaalsContact C-N 3.28Å; N410-L412 PolarHBondContact O-N 3.02Å; N410-S413 WeakPolarHBondContact CA-OG 3.25Å; N410-S413 PolarHBondContact O-N 2.76Å; N410-S413 PolarHBondContact O-OG 3.17Å; N410-V414 WeakPolarHBondContact O-CB 3.37Å; N410-V414 VanDerWaalsContact O-CG2 3.24Å; N410-V414 WeakPolarHBondContact O-CG2 3.06Å; N410-V414 PolarHBondContact O-N 2.92Å; N410-R472 PolarHBondContact OD1-NH1 3.21Å
411	T	97.8	Very high	97.8	Very high	71 Å²	71	32.6 Å²	32.6	44%	0.436	18%	0.181	S	C	.	.	H	α-helix	trans	-62.6	-38.5	178.6	-49.2	0	0	0	0	111.6	H409 L415	H409-T411 PolarHBondContact O-N 2.58Å; T411-L415 HydrophobicContact CG2-CD1 4.03Å; T411-L415 WeakPolarHBondContact O-CB 3.41Å; T411-L415 VanDerWaalsContact O-CG 3.26Å; T411-L415 WeakPolarHBondContact O-CG 3.33Å; T411-L415 PolarHBondContact O-N 3.47Å
412	L	98.1	Very high	97.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-69.8	-44.7	179.8	171.1	58.4	0	0	0	110.1	R371 R374 I375 L378 D407 H409 N410 V414 L415 S416 F476	R371-L412 HydrophobicContact CG-CD2 4.08Å; R374-L412 HydrophobicContact CB-CD1 3.9Å; R374-L412 HydrophobicContact CG-CD1 3.36Å; I375-L412 HydrophobicContact CD1-CB 4.27Å; I375-L412 HydrophobicContact CG1-CB 3.99Å; I375-L412 HydrophobicContact CG1-CD1 4.23Å; L378-L412 HydrophobicContact CD1-CD1 3.71Å; D407-L412 HydrophobicContact CB-CD2 3.85Å; D407-L412 HydrophobicContact CB-CG 4.28Å; H409-L412 HydrophobicContact CB-CB 4.3Å; H409-L412 PolarHBondContact ND1-N 3.22Å; H409-L412 WeakPolarHBondContact O-CB 3.37Å; H409-L412 PolarHBondContact O-N 2.97Å; N410-L412 VanDerWaalsContact C-N 3.28Å; N410-L412 PolarHBondContact O-N 3.02Å; L412-V414 PolarHBondContact O-N 2.85Å; L412-L415 PolarHBondContact O-N 3.21Å; L412-S416 VanDerWaalsContact O-CB 3.31Å; L412-S416 WeakPolarHBondContact O-CB 3.17Å; L412-S416 PolarHBondContact O-N 3.29Å; L412-S416 PolarHBondContact O-OG 3.08Å; L412-F476 HydrophobicContact CD2-CB 3.97Å; L412-F476 HydrophobicContact CD2-CD1 4.27Å; L412-F476 HydrophobicContact CD2-CD2 3.55Å; L412-F476 HydrophobicContact CD2-CE2 4.18Å; L412-F476 HydrophobicContact CD2-CG 3.64Å
413	S	98.1	Very high	97.7	Very high	6 Å²	6	34.3 Å²	34.3	4%	0.042	19%	0.192	C	C	.	.	H	α-helix	trans	-63.2	-41.9	178.1	61.6	0	0	0	0	112	G404 H409 N410 S416 L417 R472	G404-S413 WeakPolarHBondContact O-CA 3.27Å; H409-S413 PolarHBondContact O-N 2.66Å; N410-S413 WeakPolarHBondContact CA-OG 3.25Å; N410-S413 PolarHBondContact O-N 2.76Å; N410-S413 PolarHBondContact O-OG 3.17Å; S413-S416 PolarHBondContact O-N 3Å; S413-L417 WeakPolarHBondContact O-CG 3.38Å; S413-L417 PolarHBondContact O-N 3.13Å; S413-R472 PolarHBondContact OG-NH1 3.39Å
414	V	98.7	Very high	97.7	Very high	57 Å²	57	32.7 Å²	32.7	35%	0.345	19%	0.192	S	C	.	.	H	α-helix	trans	-63.2	-49.3	177.3	168.7	0	0	0	0	111.4	N410 L412 S416 L417 Q418	N410-V414 WeakPolarHBondContact O-CB 3.37Å; N410-V414 VanDerWaalsContact O-CG2 3.24Å; N410-V414 WeakPolarHBondContact O-CG2 3.06Å; N410-V414 PolarHBondContact O-N 2.92Å; L412-V414 PolarHBondContact O-N 2.85Å; V414-S416 PolarHBondContact O-N 2.89Å; V414-L417 PolarHBondContact O-N 3.48Å; V414-Q418 WeakPolarHBondContact O-CG 3.48Å; V414-Q418 PolarHBondContact O-N 2.81Å
415	L	98.8	Very high	97.6	Very high	20 Å²	20	39.9 Å²	39.9	11%	0.105	23%	0.23	C	C	.	.	H	α-helix	trans	-61.5	-36.3	177	-75	170.4	0	0	0	111.8	I375 L378 Q379 T411 L412 Q418 A419	I375-L415 HydrophobicContact CB-CD1 4.3Å; I375-L415 HydrophobicContact CG1-CD1 4.34Å; I375-L415 HydrophobicContact CG2-CD1 3.81Å; L378-L415 HydrophobicContact CB-CB 3.79Å; L378-L415 HydrophobicContact CB-CD1 4.39Å; L378-L415 HydrophobicContact CD1-CB 3.95Å; Q379-L415 HydrophobicContact CG-CD1 3.81Å; Q379-L415 HydrophobicContact CG-CD2 4.14Å; T411-L415 HydrophobicContact CG2-CD1 4.03Å; T411-L415 WeakPolarHBondContact O-CB 3.41Å; T411-L415 VanDerWaalsContact O-CG 3.26Å; T411-L415 WeakPolarHBondContact O-CG 3.33Å; T411-L415 PolarHBondContact O-N 3.47Å; L412-L415 PolarHBondContact O-N 3.21Å; L415-Q418 PolarHBondContact O-N 3.15Å; L415-A419 WeakPolarHBondContact O-CB 3.48Å; L415-A419 PolarHBondContact O-N 3.43Å
416	S	98.8	Very high	97.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-66.3	-43.2	176.5	-58.3	0	0	0	0	111.4	L378 I401 G404 L412 S413 V414 A419 L420	L378-S416 WeakPolarHBondContact CD1-OG 3.42Å; I401-S416 WeakPolarHBondContact CG2-O 3.17Å; G404-S416 WeakPolarHBondContact CA-OG 3.38Å; L412-S416 VanDerWaalsContact O-CB 3.31Å; L412-S416 WeakPolarHBondContact O-CB 3.17Å; L412-S416 PolarHBondContact O-N 3.29Å; L412-S416 PolarHBondContact O-OG 3.08Å; S413-S416 PolarHBondContact O-N 3Å; V414-S416 PolarHBondContact O-N 2.89Å; S416-A419 PolarHBondContact O-N 3.24Å; S416-L420 WeakPolarHBondContact O-CG 3.31Å; S416-L420 PolarHBondContact O-N 3.5Å
417	L	98.3	Very high	97.5	Very high	93 Å²	93	45.5 Å²	45.5	49%	0.487	25%	0.252	S	S	.	.	H	α-helix	trans	-62.2	-41.8	174.7	-75.4	167.8	0	0	0	112.3	V405 S413 V414 L420 G421	V405-L417 HydrophobicContact CB-CD2 4.47Å; V405-L417 HydrophobicContact CG1-CD2 3.64Å; V405-L417 HydrophobicContact CG1-CG 4.07Å; V405-L417 HydrophobicContact CG2-CD2 4Å; V405-L417 HydrophobicContact CG2-CG 4.15Å; S413-L417 WeakPolarHBondContact O-CG 3.38Å; S413-L417 PolarHBondContact O-N 3.13Å; V414-L417 PolarHBondContact O-N 3.48Å; L417-L420 PolarHBondContact O-N 3.37Å; L417-G421 PolarHBondContact O-N 3.17Å
418	Q	98.6	Very high	97.5	Very high	118 Å²	118	50 Å²	50	55%	0.551	28%	0.276	S	S	*	.	H	α-helix	trans	-61.8	-43.7	174.9	-71.7	173.5	-14.8	0	0	111.7	V414 L415 L420 G421 C422	V414-Q418 WeakPolarHBondContact O-CG 3.48Å; V414-Q418 PolarHBondContact O-N 2.81Å; L415-Q418 PolarHBondContact O-N 3.15Å; Q418-L420 PolarHBondContact O-N 3.14Å; Q418-G421 PolarHBondContact O-N 2.91Å; Q418-C422 PolarHBondContact O-N 2.95Å; Q418-C422 VanDerWaalsContact O-N 3.17Å; Q418-C422 PolarHBondContact O-SG 3.38Å; Q418-C422 VanDerWaalsContact O-SG 3.4Å
419	A	98.7	Very high	97.6	Very high	2 Å²	2	51.1 Å²	51.1	2%	0.017	28%	0.284	C	S	.	.	H	α-helix	trans	-66.8	-34.7	177.7	0	0	0	0	0	112.5	L378 F381 I401 L415 S416 G421 C422 L423	L378-A419 HydrophobicContact CD2-CB 3.66Å; F381-A419 HydrophobicContact CD1-CB 3.61Å; F381-A419 HydrophobicContact CE1-CB 3.83Å; F381-A419 HydrophobicContact CG-CB 4.12Å; F381-A419 HydrophobicContact CZ-CB 4.5Å; I401-A419 HydrophobicContact CD1-CB 3.87Å; I401-A419 HydrophobicContact CG2-CB 4.05Å; L415-A419 WeakPolarHBondContact O-CB 3.48Å; L415-A419 PolarHBondContact O-N 3.43Å; S416-A419 PolarHBondContact O-N 3.24Å; A419-G421 VanDerWaalsContact C-N 3.31Å; A419-G421 PolarHBondContact O-N 2.68Å; A419-C422 WeakPolarHBondContact O-CB 3.43Å; A419-C422 PolarHBondContact O-N 3.44Å; A419-L423 WeakPolarHBondContact O-CG 3.33Å; A419-L423 PolarHBondContact O-N 3.41Å
420	L	98.3	Very high	97.8	Very high	13 Å²	13	51.8 Å²	51.8	7%	0.068	29%	0.293	C	S	.	.	H	α-helix	trans	-60.2	-39.8	170.4	-71.6	-169.7	0	0	0	112.2	L398 I401 V405 S416 L417 Q418 C422 L423 A424 V432 L436	L398-L420 HydrophobicContact CD1-CD2 3.76Å; I401-L420 HydrophobicContact CB-CD2 4.3Å; I401-L420 HydrophobicContact CG2-CD2 3.6Å; I401-L420 HydrophobicContact CG2-CG 3.93Å; V405-L420 HydrophobicContact CG2-CD1 3.6Å; V405-L420 HydrophobicContact CG2-CG 4.17Å; S416-L420 WeakPolarHBondContact O-CG 3.31Å; S416-L420 PolarHBondContact O-N 3.5Å; L417-L420 PolarHBondContact O-N 3.37Å; Q418-L420 PolarHBondContact O-N 3.14Å; L420-C422 VanDerWaalsContact C-N 3.31Å; L420-C422 PolarHBondContact O-N 2.85Å; L420-L423 HydrophobicContact CD2-CD1 4.42Å; L420-L423 PolarHBondContact O-N 2.9Å; L420-A424 WeakPolarHBondContact O-CB 3.33Å; L420-A424 PolarHBondContact O-N 3.27Å; L420-V432 HydrophobicContact CB-CG1 4.16Å; L420-V432 HydrophobicContact CD1-CG1 4.47Å; L420-V432 HydrophobicContact CD2-CG1 3.86Å; L420-V432 HydrophobicContact CG-CG1 4.39Å; L420-L436 HydrophobicContact CD1-CD1 4.17Å; L420-L436 HydrophobicContact CD1-CD2 4.2Å
421	G	97.9	Very high	97.9	Very high	38 Å²	38	49.5 Å²	49.5	39%	0.392	28%	0.282	S	S	.	.	H	α-helix	trans	-60.1	-42.3	174	0	0	0	0	0	112.1	L417 Q418 A419 A424 N425	L417-G421 PolarHBondContact O-N 3.17Å; Q418-G421 PolarHBondContact O-N 2.91Å; A419-G421 VanDerWaalsContact C-N 3.31Å; A419-G421 PolarHBondContact O-N 2.68Å; G421-A424 PolarHBondContact O-N 2.99Å; G421-N425 PolarHBondContact O-N 3.39Å
422	C	97.7	Very high	97.9	Very high	35 Å²	35	46.3 Å²	46.3	24%	0.236	26%	0.263	C	S	.	.	H	α-helix	trans	-65.2	-41.1	175	-59.2	0	0	0	0	112.1	F381 L385 Q418 A419 L420 A424 N425 R426	F381-C422 HydrophobicContact CD1-CB 4.18Å; F381-C422 HydrophobicContact CE1-CB 4.05Å; L385-C422 HydrophobicContact CD2-CB 3.69Å; Q418-C422 PolarHBondContact O-N 2.95Å; Q418-C422 VanDerWaalsContact O-N 3.17Å; Q418-C422 PolarHBondContact O-SG 3.38Å; Q418-C422 VanDerWaalsContact O-SG 3.4Å; A419-C422 WeakPolarHBondContact O-CB 3.43Å; A419-C422 PolarHBondContact O-N 3.44Å; L420-C422 VanDerWaalsContact C-N 3.31Å; L420-C422 PolarHBondContact O-N 2.85Å; C422-A424 VanDerWaalsContact C-N 3.35Å; C422-N425 PolarHBondContact O-N 3.12Å; C422-R426 PolarHBondContact O-N 2.88Å
423	L	98.4	Very high	97.9	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-65.7	-35.6	175.3	-75.9	-179.5	0	0	0	112.4	F381 L385 L393 L398 I401 A419 L420 N425 R426 L427 V432	F381-L423 HydrophobicContact CE1-CD2 4.32Å; F381-L423 HydrophobicContact CE1-CG 4.1Å; F381-L423 HydrophobicContact CZ-CD1 4.46Å; F381-L423 HydrophobicContact CZ-CD2 3.87Å; F381-L423 HydrophobicContact CZ-CG 3.95Å; L385-L423 HydrophobicContact CD1-CD2 3.99Å; L393-L423 HydrophobicContact CB-CD2 4.46Å; L393-L423 HydrophobicContact CD2-CD2 3.94Å; L398-L423 HydrophobicContact CB-CD1 3.97Å; L398-L423 HydrophobicContact CD1-CD1 3.71Å; L398-L423 HydrophobicContact CG-CD1 4.43Å; I401-L423 HydrophobicContact CD1-CD1 3.97Å; A419-L423 WeakPolarHBondContact O-CG 3.33Å; A419-L423 PolarHBondContact O-N 3.41Å; L420-L423 HydrophobicContact CD2-CD1 4.42Å; L420-L423 PolarHBondContact O-N 2.9Å; L423-N425 PolarHBondContact O-N 2.84Å; L423-R426 CarbonylContact O-C 3.52Å; L423-R426 PolarHBondContact O-N 3.28Å; L423-L427 HydrophobicContact CD2-CD1 4Å; L423-L427 WeakPolarHBondContact O-CB 3.26Å; L423-L427 PolarHBondContact O-N 3.45Å; L423-V432 HydrophobicContact CB-CG2 4.02Å
424	A	97.9	Very high	97.9	Very high	25 Å²	25	55.9 Å²	55.9	21%	0.207	31%	0.313	C	S	.	.	H	α-helix	trans	-62	-34.8	177.6	0	0	0	0	0	111.5	L420 G421 C422 R426 N428 V432	L420-A424 WeakPolarHBondContact O-CB 3.33Å; L420-A424 PolarHBondContact O-N 3.27Å; G421-A424 PolarHBondContact O-N 2.99Å; C422-A424 VanDerWaalsContact C-N 3.35Å; A424-R426 VanDerWaalsContact C-N 3.33Å; A424-N428 CarbonylContact O-C 3.41Å; A424-N428 WeakPolarHBondContact O-CA 3.21Å; A424-N428 PolarHBondContact O-N 3.49Å; A424-V432 HydrophobicContact CB-CG2 4.35Å
425	N	96.2	Very high	97.9	Very high	151 Å²	151	55.7 Å²	55.7	81%	0.807	31%	0.308	S	S	*	.	H	α-helix	trans	-68.4	-30	173.5	-66.5	-24.1	0	0	0	112.9	G421 C422 L423	G421-N425 PolarHBondContact O-N 3.39Å; C422-N425 PolarHBondContact O-N 3.12Å; L423-N425 PolarHBondContact O-N 2.84Å
426	R	95.6	Very high	97.9	Very high	103 Å²	103	55.6 Å²	55.6	39%	0.389	31%	0.308	S	S	.	.	H	α-helix	trans	-91.1	-35.9	-178.2	-178.1	57.9	178.2	-118.2	-7.4	113.7	K386 D390 L393 C422 L423 A424	K386-R426 PolarHBondContact O-NH1 3.02Å; D390-R426 IonicContact OD1-CZ 2.76Å; D390-R426 IonicContact OD1-NE 3.81Å; D390-R426 PolarHBondContact OD1-NE 3.07Å; D390-R426 IonicContact OD1-NH2 3.32Å; D390-R426 PolarHBondContact OD1-NH2 3.14Å; L393-R426 HydrophobicContact CD1-CG 3.91Å; C422-R426 PolarHBondContact O-N 2.88Å; L423-R426 CarbonylContact O-C 3.52Å; L423-R426 PolarHBondContact O-N 3.28Å; A424-R426 VanDerWaalsContact C-N 3.33Å
427	L	97	Very high	97.8	Very high	19 Å²	19	63.3 Å²	63.3	10%	0.099	34%	0.337	C	S	.	.	H	α-helix	trans	-117.3	-0.8	-169.8	-59.8	177.2	0	0	0	114	L393 L394 L398 L423 V431 V432	L393-L427 HydrophobicContact CB-CD1 4.13Å; L393-L427 HydrophobicContact CB-CD2 4.44Å; L394-L427 HydrophobicContact CD1-CD2 4.24Å; L394-L427 HydrophobicContact CD2-CB 4.37Å; L394-L427 HydrophobicContact CD2-CD1 3.69Å; L394-L427 HydrophobicContact CD2-CD2 3.94Å; L394-L427 HydrophobicContact CD2-CG 4.21Å; L394-L427 HydrophobicContact CG-CD1 4.02Å; L394-L427 HydrophobicContact CG-CD2 3.78Å; L394-L427 HydrophobicContact CG-CG 4.48Å; L398-L427 HydrophobicContact CD2-CD1 4.28Å; L423-L427 HydrophobicContact CD2-CD1 4Å; L423-L427 WeakPolarHBondContact O-CB 3.26Å; L423-L427 PolarHBondContact O-N 3.45Å; L427-V431 WeakPolarHBondContact O-CB 3.5Å; L427-V431 VanDerWaalsContact O-CG2 3.3Å; L427-V431 WeakPolarHBondContact O-CG2 3.1Å; L427-V432 HydrophobicContact CB-CG2 4.45Å
428	N	96.5	Very high	97.8	Very high	93 Å²	93	62.8 Å²	62.8	50%	0.497	33%	0.334	S	S	.	.			trans	75.6	141.1	-170.2	-167.5	-56.3	0	0	0	114.1	A424 T430 V431 V432	A424-N428 CarbonylContact O-C 3.41Å; A424-N428 WeakPolarHBondContact O-CA 3.21Å; A424-N428 PolarHBondContact O-N 3.49Å; N428-T430 VanDerWaalsContact C-N 3.3Å; N428-T430 PolarHBondContact O-N 2.82Å; N428-T430 PolarHBondContact OD1-N 3.32Å; N428-T430 PolarHBondContact OD1-OG1 2.94Å; N428-V431 PolarHBondContact O-N 3.49Å; N428-V432 PolarHBondContact O-N 2.66Å
429	S	97.5	Very high	97.8	Very high	63 Å²	63	58.5 Å²	58.5	44%	0.441	31%	0.314	S	S	.	.	H	α-helix	trans	-57	-38.1	178.9	54.3	0	0	0	0	113.7	V431 V432 L433	S429-V431 VanDerWaalsContact C-N 3.35Å; S429-V431 PolarHBondContact O-N 2.9Å; S429-V432 PolarHBondContact O-N 3.25Å; S429-L433 WeakPolarHBondContact O-CB 3.38Å; S429-L433 VanDerWaalsContact O-CG 3.27Å; S429-L433 WeakPolarHBondContact O-CG 3.32Å; S429-L433 PolarHBondContact O-N 3.16Å
430	T	98.4	Very high	97.6	Very high	82 Å²	82	61.2 Å²	61.2	50%	0.503	33%	0.327	S	S	.	.	H	α-helix	trans	-63.3	-42.7	-178.2	-58.6	0	0	0	0	111.3	N428 N434	N428-T430 VanDerWaalsContact C-N 3.3Å; N428-T430 PolarHBondContact O-N 2.82Å; N428-T430 PolarHBondContact OD1-N 3.32Å; N428-T430 PolarHBondContact OD1-OG1 2.94Å; T430-N434 WeakPolarHBondContact O-CB 3.48Å; T430-N434 PolarHBondContact O-N 3.33Å; T430-N434 PolarHBondContact O-ND2 2.9Å
431	V	98.2	Very high	97.5	Very high	50 Å²	50	64.1 Å²	64.1	30%	0.303	34%	0.34	S	S	.	.	H	α-helix	trans	-63.9	-47.8	178.1	178.4	0	0	0	0	110.2	L394 L398 L427 N428 S429 N434 H435	L394-V431 HydrophobicContact CD2-CG1 3.55Å; L398-V431 HydrophobicContact CD2-CG1 4.47Å; L427-V431 WeakPolarHBondContact O-CB 3.5Å; L427-V431 VanDerWaalsContact O-CG2 3.3Å; L427-V431 WeakPolarHBondContact O-CG2 3.1Å; N428-V431 PolarHBondContact O-N 3.49Å; S429-V431 VanDerWaalsContact C-N 3.35Å; S429-V431 PolarHBondContact O-N 2.9Å; V431-N434 PolarHBondContact O-N 3.05Å; V431-H435 PolarHBondContact O-CD2 3.01Å; V431-H435 PolarHBondContact O-N 3.19Å; V431-H435 VanDerWaalsContact O-N 3.07Å
432	V	98.6	Very high	97.4	Very high	5 Å²	5	65.8 Å²	65.8	3%	0.03	34%	0.34	C	S	.	.	H	α-helix	trans	-61.5	-46.7	-179.6	175	0	0	0	0	111.9	L398 L420 L423 A424 L427 N428 S429 H435 L436	L398-V432 HydrophobicContact CD1-CB 4.47Å; L398-V432 HydrophobicContact CD1-CG1 4.09Å; L398-V432 HydrophobicContact CD1-CG2 4.27Å; L420-V432 HydrophobicContact CB-CG1 4.16Å; L420-V432 HydrophobicContact CD1-CG1 4.47Å; L420-V432 HydrophobicContact CD2-CG1 3.86Å; L420-V432 HydrophobicContact CG-CG1 4.39Å; L423-V432 HydrophobicContact CB-CG2 4.02Å; A424-V432 HydrophobicContact CB-CG2 4.35Å; L427-V432 HydrophobicContact CB-CG2 4.45Å; N428-V432 PolarHBondContact O-N 2.66Å; S429-V432 PolarHBondContact O-N 3.25Å; V432-H435 PolarHBondContact O-N 3.24Å; V432-L436 PolarHBondContact O-N 2.81Å
433	L	98.4	Very high	97.4	Very high	106 Å²	106	64.7 Å²	64.7	56%	0.555	33%	0.332	S	S	*	.	H	α-helix	trans	-68.1	-37.9	-179.4	-69.7	173.8	0	0	0	112.5	S429 H435 L436 R437	S429-L433 WeakPolarHBondContact O-CB 3.38Å; S429-L433 VanDerWaalsContact O-CG 3.27Å; S429-L433 WeakPolarHBondContact O-CG 3.32Å; S429-L433 PolarHBondContact O-N 3.16Å; L433-H435 VanDerWaalsContact C-N 3.34Å; L433-H435 PolarHBondContact O-N 2.76Å; L433-L436 PolarHBondContact O-N 3.29Å; L433-R437 PolarHBondContact O-N 3.22Å
434	N	98.5	Very high	97.1	Very high	101 Å²	101	66.1 Å²	66.1	54%	0.54	34%	0.342	S	S	.	.	H	α-helix	trans	-62.2	-42.5	174.4	-74.6	-16.5	0	0	0	111.4	T430 V431 R437 L438	T430-N434 WeakPolarHBondContact O-CB 3.48Å; T430-N434 PolarHBondContact O-N 3.33Å; T430-N434 PolarHBondContact O-ND2 2.9Å; V431-N434 PolarHBondContact O-N 3.05Å; N434-R437 PolarHBondContact O-N 2.86Å; N434-L438 WeakPolarHBondContact O-CB 3.22Å; N434-L438 PolarHBondContact O-N 3.36Å
435	H	98.3	Very high	96.9	Very high	52 Å²	52	72.8 Å²	72.8	24%	0.241	37%	0.366	C	S	.	.	H	α-helix	trans	-65.9	-39.8	174.5	-89.1	-83	0	0	0	112.5	L398 V431 V432 L433 L438 I439	L398-H435 HydrophobicContact CD1-CB 4.43Å; L398-H435 HydrophobicContact CD2-CB 3.79Å; L398-H435 HydrophobicContact CG-CB 3.98Å; V431-H435 PolarHBondContact O-CD2 3.01Å; V431-H435 PolarHBondContact O-N 3.19Å; V431-H435 VanDerWaalsContact O-N 3.07Å; V432-H435 PolarHBondContact O-N 3.24Å; L433-H435 VanDerWaalsContact C-N 3.34Å; L433-H435 PolarHBondContact O-N 2.76Å; H435-L438 PolarHBondContact O-N 3.36Å; H435-I439 WeakPolarHBondContact O-CB 3.12Å; H435-I439 VanDerWaalsContact O-CG1 3.24Å; H435-I439 WeakPolarHBondContact O-CG1 3.18Å; H435-I439 PolarHBondContact O-N 3.15Å
436	L	98.4	Very high	96.8	Very high	18 Å²	18	69.1 Å²	69.1	9%	0.094	35%	0.352	C	S	.	.	H	α-helix	trans	-59.9	-47.4	176.7	-176.6	64.3	0	0	0	111.2	C402 V405 F406 L420 V432 L433 I439 E440	C402-L436 HydrophobicContact CB-CD1 4.02Å; V405-L436 HydrophobicContact CB-CD1 4.18Å; V405-L436 HydrophobicContact CG1-CD1 4.25Å; V405-L436 HydrophobicContact CG2-CD1 4.36Å; F406-L436 HydrophobicContact CD2-CD1 4.5Å; F406-L436 HydrophobicContact CE2-CD1 3.54Å; F406-L436 HydrophobicContact CE2-CG 4.38Å; F406-L436 HydrophobicContact CZ-CD1 3.82Å; F406-L436 HydrophobicContact CZ-CG 4.27Å; L420-L436 HydrophobicContact CD1-CD1 4.17Å; L420-L436 HydrophobicContact CD1-CD2 4.2Å; V432-L436 PolarHBondContact O-N 2.81Å; L433-L436 PolarHBondContact O-N 3.29Å; L436-I439 PolarHBondContact O-N 3.35Å; L436-E440 PolarHBondContact O-N 2.91Å
437	R	97.4	Very high	96.5	Very high	162 Å²	162	67.2 Å²	67.2	61%	0.611	37%	0.365	S	S	*	.	H	α-helix	trans	-60.8	-45.2	175.5	-179	177.7	176.7	157.1	4.4	112.1	L433 N434 I439 E440 E441	L433-R437 PolarHBondContact O-N 3.22Å; N434-R437 PolarHBondContact O-N 2.86Å; R437-I439 VanDerWaalsContact C-N 3.3Å; R437-I439 PolarHBondContact O-N 2.93Å; R437-E440 WeakPolarHBondContact O-CB 3.46Å; R437-E440 PolarHBondContact O-N 3.01Å; R437-E441 IonicContact CZ-OE1 2.77Å; R437-E441 IonicContact NE-OE1 2.66Å; R437-E441 PolarHBondContact NE-OE1 3.48Å; R437-E441 IonicContact NH2-OE1 3.86Å; R437-E441 WeakPolarHBondContact O-CG 3.42Å; R437-E441 PolarHBondContact O-N 3.01Å
438	L	97.9	Very high	96.2	Very high	82 Å²	82	68.1 Å²	68.1	43%	0.429	37%	0.372	S	S	.	.	H	α-helix	trans	-59.4	-41.9	177.2	177.6	64	0	0	0	111.8	N434 H435 N442	N434-L438 WeakPolarHBondContact O-CB 3.22Å; N434-L438 PolarHBondContact O-N 3.36Å; H435-L438 PolarHBondContact O-N 3.36Å; L438-N442 WeakPolarHBondContact O-CB 3.45Å; L438-N442 PolarHBondContact O-N 3.37Å; L438-N442 PolarHBondContact O-ND2 2.78Å; L438-N442 VanDerWaalsContact O-ND2 3.13Å
439	I	97.1	Very high	95.9	Very high	28 Å²	28	64 Å²	64	14%	0.144	35%	0.35	C	S	.	.	H	α-helix	trans	-68.3	-40.8	178.6	-67.5	-65.9	0	0	0	111.3	P399 C402 R403 F406 H435 L436 R437 N442 L443	P399-I439 HydrophobicContact CB-CD1 4.29Å; C402-I439 HydrophobicContact CB-CB 4.02Å; C402-I439 HydrophobicContact CB-CG1 3.82Å; C402-I439 HydrophobicContact CB-CG2 4.15Å; R403-I439 HydrophobicContact CB-CG2 4.39Å; F406-I439 HydrophobicContact CD2-CG2 4.36Å; F406-I439 HydrophobicContact CE2-CG2 4.3Å; H435-I439 WeakPolarHBondContact O-CB 3.12Å; H435-I439 VanDerWaalsContact O-CG1 3.24Å; H435-I439 WeakPolarHBondContact O-CG1 3.18Å; H435-I439 PolarHBondContact O-N 3.15Å; L436-I439 PolarHBondContact O-N 3.35Å; R437-I439 VanDerWaalsContact C-N 3.3Å; R437-I439 PolarHBondContact O-N 2.93Å; I439-N442 PolarHBondContact O-N 2.8Å; I439-L443 HydrophobicContact CG2-CD1 3.84Å; I439-L443 HydrophobicContact CG2-CG 4.29Å; I439-L443 WeakPolarHBondContact O-CB 3.45Å; I439-L443 VanDerWaalsContact O-CG 3.24Å; I439-L443 WeakPolarHBondContact O-CG 2.99Å; I439-L443 PolarHBondContact O-N 2.98Å
440	E	96.1	Very high	95	Very high	59 Å²	59	64.8 Å²	64.8	28%	0.276	36%	0.356	S	S	.	.	H	α-helix	trans	-56	-54.6	172.4	-169.9	179	-168.9	0	0	111.4	F406 L436 R437 N442 L443 C444	F406-E440 HydrophobicContact CE1-CB 4.06Å; F406-E440 HydrophobicContact CE1-CG 3.82Å; F406-E440 HydrophobicContact CE2-CB 4.07Å; F406-E440 HydrophobicContact CZ-CB 3.51Å; F406-E440 HydrophobicContact CZ-CG 3.81Å; L436-E440 PolarHBondContact O-N 2.91Å; R437-E440 WeakPolarHBondContact O-CB 3.46Å; R437-E440 PolarHBondContact O-N 3.01Å; E440-N442 VanDerWaalsContact C-N 3.27Å; E440-N442 PolarHBondContact O-N 2.8Å; E440-L443 PolarHBondContact O-N 3.15Å; E440-L443 VanDerWaalsContact O-N 3.1Å; E440-C444 PolarHBondContact O-N 3.28Å; E440-C444 PolarHBondContact O-SG 3.1Å; E440-C444 VanDerWaalsContact O-SG 3.41Å
441	E	95.6	Very high	93.3	Very high	74 Å²	74	66.2 Å²	66.2	35%	0.346	36%	0.36	S	S	.	.	H	α-helix	trans	-57.1	-41.6	-179.8	-72.2	177.6	-167.3	0	0	111.5	R437 C444 K445	R437-E441 IonicContact CZ-OE1 2.77Å; R437-E441 IonicContact NE-OE1 2.66Å; R437-E441 PolarHBondContact NE-OE1 3.48Å; R437-E441 IonicContact NH2-OE1 3.86Å; R437-E441 WeakPolarHBondContact O-CG 3.42Å; R437-E441 PolarHBondContact O-N 3.01Å; E441-C444 PolarHBondContact O-N 2.9Å; E441-K445 WeakPolarHBondContact O-CB 3.26Å; E441-K445 WeakPolarHBondContact O-CG 3.47Å; E441-K445 PolarHBondContact O-N 3.14Å
442	N	96.5	Very high	91.2	Very high	73 Å²	73	69.2 Å²	69.2	39%	0.39	38%	0.375	S	S	.	.	H	α-helix	trans	-66.6	-40.8	177.2	-72.7	-24.8	0	0	0	112.7	L438 I439 E440 K445 S446	L438-N442 WeakPolarHBondContact O-CB 3.45Å; L438-N442 PolarHBondContact O-N 3.37Å; L438-N442 PolarHBondContact O-ND2 2.78Å; L438-N442 VanDerWaalsContact O-ND2 3.13Å; I439-N442 PolarHBondContact O-N 2.8Å; E440-N442 VanDerWaalsContact C-N 3.27Å; E440-N442 PolarHBondContact O-N 2.8Å; N442-K445 PolarHBondContact O-N 2.73Å; N442-S446 WeakPolarHBondContact O-CB 3.48Å; N442-S446 PolarHBondContact O-N 3.46Å; N442-S446 PolarHBondContact O-OG 3.33Å
443	L	95.9	Very high	88.9	Confident	13 Å²	13	73.2 Å²	73.2	7%	0.068	40%	0.403	C	S	.	.	H	α-helix	trans	-69.7	-34.6	177.9	-71.1	171.6	0	0	0	112.3	F406 I439 E440 S446 G447 S448 L449 L475	F406-L443 HydrophobicContact CB-CD1 4.15Å; F406-L443 HydrophobicContact CD2-CD1 3.89Å; F406-L443 HydrophobicContact CG-CD1 4.2Å; I439-L443 HydrophobicContact CG2-CD1 3.84Å; I439-L443 HydrophobicContact CG2-CG 4.29Å; I439-L443 WeakPolarHBondContact O-CB 3.45Å; I439-L443 VanDerWaalsContact O-CG 3.24Å; I439-L443 WeakPolarHBondContact O-CG 2.99Å; I439-L443 PolarHBondContact O-N 2.98Å; E440-L443 PolarHBondContact O-N 3.15Å; E440-L443 VanDerWaalsContact O-N 3.1Å; L443-S446 PolarHBondContact O-OG 2.75Å; L443-S446 VanDerWaalsContact O-OG 3.11Å; L443-G447 PolarHBondContact O-N 2.86Å; L443-S448 WeakPolarHBondContact O-CA 3.08Å; L443-S448 WeakPolarHBondContact O-CB 3.16Å; L443-S448 PolarHBondContact O-N 2.95Å; L443-L449 HydrophobicContact CB-CB 4.48Å; L443-L449 HydrophobicContact CB-CD1 3.67Å; L443-L449 HydrophobicContact CB-CG 3.83Å; L443-L449 HydrophobicContact CD1-CD1 3.96Å; L443-L449 HydrophobicContact CD1-CG 4.41Å; L443-L449 HydrophobicContact CG-CD1 4.49Å; L443-L449 PolarHBondContact O-N 3Å; L443-L449 VanDerWaalsContact O-N 3.07Å; L443-L475 HydrophobicContact CD1-CD1 3.86Å; L443-L475 HydrophobicContact CD2-CD1 4.49Å; L443-L475 HydrophobicContact CD2-CD2 4.13Å
444	C	93.4	Very high	86.4	Confident	30 Å²	30	73.7 Å²	73.7	20%	0.203	41%	0.406	C	S	.	.	H	α-helix	trans	-67.4	-46.4	172	-68.5	0	0	0	0	111.1	E440 E441 S446 G447 N451	E440-C444 PolarHBondContact O-N 3.28Å; E440-C444 PolarHBondContact O-SG 3.1Å; E440-C444 VanDerWaalsContact O-SG 3.41Å; E441-C444 PolarHBondContact O-N 2.9Å; C444-S446 VanDerWaalsContact C-N 3.29Å; C444-S446 PolarHBondContact O-N 2.9Å; C444-G447 PolarHBondContact O-N 3.38Å; C444-N451 PolarHBondContact SG-OD1 3Å
445	K	93.6	Very high	83.9	Confident	165 Å²	165	76 Å²	76	72%	0.717	41%	0.413	S	S	*	.	H	α-helix	trans	-59.7	-37.4	176.2	-75	171.1	-174.8	173.1	0	112.6	E441 N442 G447	E441-K445 WeakPolarHBondContact O-CB 3.26Å; E441-K445 WeakPolarHBondContact O-CG 3.47Å; E441-K445 PolarHBondContact O-N 3.14Å; N442-K445 PolarHBondContact O-N 2.73Å; K445-G447 PolarHBondContact O-N 3.16Å
446	S	93	Very high	81.5	Confident	74 Å²	74	78.3 Å²	78.3	52%	0.517	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	1.7	176.8	70.6	0	0	0	0	114.1	N442 L443 C444 S448	N442-S446 WeakPolarHBondContact O-CB 3.48Å; N442-S446 PolarHBondContact O-N 3.46Å; N442-S446 PolarHBondContact O-OG 3.33Å; L443-S446 PolarHBondContact O-OG 2.75Å; L443-S446 VanDerWaalsContact O-OG 3.11Å; C444-S446 VanDerWaalsContact C-N 3.29Å; C444-S446 PolarHBondContact O-N 2.9Å; S446-S448 PolarHBondContact O-N 3.34Å; S446-S448 WeakPolarHBondContact OG-CB 3.35Å; S446-S448 PolarHBondContact OG-OG 2.85Å
447	G	90.1	Very high	78.9	Confident	63 Å²	63	82.2 Å²	82.2	65%	0.649	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	13.3	-174.8	0	0	0	0	0	113.9	L443 C444 K445	L443-G447 PolarHBondContact O-N 2.86Å; C444-G447 PolarHBondContact O-N 3.38Å; K445-G447 PolarHBondContact O-N 3.16Å
448	S	90.3	Very high	76.4	Confident	37 Å²	37	79.2 Å²	79.2	26%	0.259	46%	0.464	S	S	.	.	S	Bend	trans	-80.6	-21	178.7	-60.9	0	0	0	0	112.7	L443 S446 N473	L443-S448 WeakPolarHBondContact O-CA 3.08Å; L443-S448 WeakPolarHBondContact O-CB 3.16Å; L443-S448 PolarHBondContact O-N 2.95Å; S446-S448 PolarHBondContact O-N 3.34Å; S446-S448 WeakPolarHBondContact OG-CB 3.35Å; S446-S448 PolarHBondContact OG-OG 2.85Å; S448-N473 WeakPolarHBondContact O-CB 3.33Å; S448-N473 PolarHBondContact O-ND2 2.82Å
449	L	90.1	Very high	74	Confident	6 Å²	6	82.2 Å²	82.2	3%	0.031	49%	0.485	C	S	.	.	S	Bend	trans	-115.3	138.2	165.8	-68.8	174	0	0	0	109	F406 L443 P471 N473	F406-L449 HydrophobicContact CB-CD1 4.16Å; F406-L449 HydrophobicContact CB-CD2 4.26Å; F406-L449 HydrophobicContact CD1-CD1 3.81Å; F406-L449 HydrophobicContact CE1-CD1 4.41Å; F406-L449 HydrophobicContact CG-CD1 3.99Å; L443-L449 HydrophobicContact CB-CB 4.48Å; L443-L449 HydrophobicContact CB-CD1 3.67Å; L443-L449 HydrophobicContact CB-CG 3.83Å; L443-L449 HydrophobicContact CD1-CD1 3.96Å; L443-L449 HydrophobicContact CD1-CG 4.41Å; L443-L449 HydrophobicContact CG-CD1 4.49Å; L443-L449 PolarHBondContact O-N 3Å; L443-L449 VanDerWaalsContact O-N 3.07Å; L449-P471 HydrophobicContact CB-CB 4.39Å; L449-P471 HydrophobicContact CD1-CB 4.25Å; L449-P471 HydrophobicContact CD1-CG 4.3Å; L449-P471 HydrophobicContact CD2-CB 4.25Å; L449-N473 HydrophobicContact CD2-CB 4.01Å
450	S	78.2	Confident	71.7	Confident	81 Å²	81	89.3 Å²	89.3	57%	0.566	52%	0.518	S	S	*	.			trans	-79.6	122.9	170.3	180	0	0	0	0	108.5	N452	S450-N452 PolarHBondContact O-N 2.89Å
451	N	63.2	Low	69.4	Low	112 Å²	112	89.5 Å²	89.5	60%	0.599	54%	0.536	S	S	*	.			trans	-68.5	86.7	161.5	-77.3	-2.7	0	0	0	107.3	C444 S453	C444-N451 PolarHBondContact SG-OD1 3Å; N451-S453 PolarHBondContact O-N 3.01Å
452	N	53.8	Low	67.2	Low	113 Å²	113	94.1 Å²	94.1	60%	0.604	56%	0.563	S	S	*	*			trans	-72.5	64.2	162.3	-99	-14.9	0	0	0	108.4	S450 N454	S450-N452 PolarHBondContact O-N 2.89Å; N452-N454 PolarHBondContact O-N 3.12Å; N452-N454 PolarHBondContact OD1-ND2 3.31Å
453	S	50.1	Low	65.1	Low	88 Å²	88	97.6 Å²	97.6	62%	0.615	58%	0.581	S	S	*	*			trans	-75.7	12	152.8	62.9	0	0	0	0	110.9	N451 H455	N451-S453 PolarHBondContact O-N 3.01Å; S453-H455 PolarHBondContact O-N 3.06Å
454	N	46.6	Very low	62.7	Low	117 Å²	117	107.7 Å²	107.7	63%	0.626	62%	0.618	S	S	*	*			trans	-62.9	82.8	161.8	-68	-28.9	0	0	0	107.2	N452 S456	N452-N454 PolarHBondContact O-N 3.12Å; N452-N454 PolarHBondContact OD1-ND2 3.31Å; N454-S456 PolarHBondContact O-N 3.1Å
455	H	47	Very low	60.6	Low	150 Å²	150	113.2 Å²	113.2	69%	0.694	65%	0.645	S	S	*	*			trans	-52.5	96.3	159.2	-70.1	-68.1	0	0	0	106	S453 T457	S453-H455 PolarHBondContact O-N 3.06Å; H455-T457 HydrophobicContact CB-CG2 4.34Å; H455-T457 PolarHBondContact O-N 3.32Å
456	S	46.4	Very low	58.7	Low	100 Å²	100	108.7 Å²	108.7	70%	0.699	63%	0.631	S	S	*	*			trans	-64.4	87.5	164.5	31.3	0	0	0	0	105.7	N454 S458	N454-S456 PolarHBondContact O-N 3.1Å; S456-S458 PolarHBondContact O-N 2.92Å
457	T	44.4	Very low	57	Low	100 Å²	100	109.6 Å²	109.6	61%	0.613	63%	0.634	S	S	*	*			trans	-71.4	79	169	53.4	0	0	0	0	106.6	H455 T459	H455-T457 HydrophobicContact CB-CG2 4.34Å; H455-T457 PolarHBondContact O-N 3.32Å; T457-T459 PolarHBondContact O-N 3.36Å; T457-T459 VanDerWaalsContact O-N 3.14Å
458	S	45.4	Very low	56	Low	99 Å²	99	116.4 Å²	116.4	69%	0.692	64%	0.641	S	S	*	*			trans	-66.3	109.5	158.3	58.3	0	0	0	0	106.1	S456 E460	S456-S458 PolarHBondContact O-N 2.92Å; S458-E460 PolarHBondContact O-N 3.4Å
459	T	46.5	Very low	55.6	Low	144 Å²	144	120 Å²	120	88%	0.883	66%	0.662	S	S	*	*			trans	-71.2	9.2	-179.1	9.1	0	0	0	0	113.5	T457 G461	T457-T459 PolarHBondContact O-N 3.36Å; T457-T459 VanDerWaalsContact O-N 3.14Å; T459-G461 PolarHBondContact O-N 2.93Å
460	E	48.6	Very low	55.4	Low	178 Å²	178	125.6 Å²	125.6	83%	0.832	68%	0.682	S	S	*	*	S	Bend	trans	-91.1	103.8	-180	-70.5	-175.7	164.9	0	0	111.1	S458	S458-E460 PolarHBondContact O-N 3.4Å
461	G	48.7	Very low	55.9	Low	62 Å²	62	123 Å²	123	64%	0.639	66%	0.664	S	S	*	*	S	Bend	trans	75.2	87.4	148.3	0	0	0	0	0	117.6	T459 N463	T459-G461 PolarHBondContact O-N 2.93Å; G461-N463 PolarHBondContact O-N 3.29Å
462	N	49.8	Very low	57.2	Low	171 Å²	171	123.2 Å²	123.2	91%	0.914	66%	0.656	S	S	*	*	S	Bend	trans	41.4	-5.4	144.2	-76.3	-2.5	0	0	0	123.9
463	N	51	Low	59.1	Low	146 Å²	146	121 Å²	121	78%	0.781	64%	0.644	S	S	*	*			trans	-119.6	88.2	170.6	-75.5	-19.4	0	0	0	107.6	G461 L465	G461-N463 PolarHBondContact O-N 3.29Å; N463-L465 PolarHBondContact O-N 3.05Å
464	R	47.4	Very low	61.1	Low	225 Å²	225	122.2 Å²	122.2	85%	0.849	64%	0.644	S	S	*	*			trans	-69.5	70.4	177.9	-141.7	-176.8	-163.1	-171.5	4.1	109.1	V466	R464-V466 VanDerWaalsContact C-N 3.31Å; R464-V466 PolarHBondContact O-N 3.49Å
465	L	48.4	Very low	63.4	Low	147 Å²	147	117.2 Å²	117.2	77%	0.77	62%	0.617	S	S	*	*			trans	-70.8	96.1	171.5	-146.3	102.3	0	0	0	105.9	N463 T467	N463-L465 PolarHBondContact O-N 3.05Å; L465-T467 VanDerWaalsContact C-N 3.3Å; L465-T467 HydrophobicContact CD2-CG2 4.4Å; L465-T467 PolarHBondContact O-N 3.15Å
466	V	54.2	Low	65.7	Low	69 Å²	69	110.1 Å²	110.1	42%	0.418	58%	0.584	S	S	.	*			trans	-65.2	98.5	172.6	-179.5	0	0	0	0	106.3	R464 Y468	R464-V466 VanDerWaalsContact C-N 3.31Å; R464-V466 PolarHBondContact O-N 3.49Å; V466-Y468 VanDerWaalsContact C-N 3.35Å; V466-Y468 HydrophobicContact CB-CD2 4.36Å; V466-Y468 HydrophobicContact CB-CE2 3.91Å; V466-Y468 HydrophobicContact CG1-CD1 4.3Å; V466-Y468 HydrophobicContact CG1-CD2 3.88Å; V466-Y468 HydrophobicContact CG1-CE1 3.98Å; V466-Y468 HydrophobicContact CG1-CE2 3.52Å; V466-Y468 HydrophobicContact CG1-CG 4.26Å; V466-Y468 WeakPolarHBondContact O-CD2 3.5Å; V466-Y468 PolarHBondContact O-N 2.85Å
467	T	56.6	Low	67.8	Low	93 Å²	93	111.5 Å²	111.5	57%	0.571	58%	0.575	S	S	*	*			trans	-73.1	95	170.3	42	0	0	0	0	107.7	L465 V469	L465-T467 VanDerWaalsContact C-N 3.3Å; L465-T467 HydrophobicContact CD2-CG2 4.4Å; L465-T467 PolarHBondContact O-N 3.15Å; T467-V469 PolarHBondContact O-N 3.4Å
468	Y	69.7	Low	69.5	Low	207 Å²	207	113.5 Å²	113.5	81%	0.812	58%	0.577	S	S	*	*			trans	-67.9	97.7	166.1	-67.4	-83.5	0	0	0	107.9	V466 W470	V466-Y468 VanDerWaalsContact C-N 3.35Å; V466-Y468 HydrophobicContact CB-CD2 4.36Å; V466-Y468 HydrophobicContact CB-CE2 3.91Å; V466-Y468 HydrophobicContact CG1-CD1 4.3Å; V466-Y468 HydrophobicContact CG1-CD2 3.88Å; V466-Y468 HydrophobicContact CG1-CE1 3.98Å; V466-Y468 HydrophobicContact CG1-CE2 3.52Å; V466-Y468 HydrophobicContact CG1-CG 4.26Å; V466-Y468 WeakPolarHBondContact O-CD2 3.5Å; V466-Y468 PolarHBondContact O-N 2.85Å; Y468-W470 PolarHBondContact O-N 2.89Å
469	V	81.6	Confident	70.6	Confident	113 Å²	113	110.7 Å²	110.7	69%	0.685	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-79.5	117.3	173.4	-178.7	0	0	0	0	107.6	T467	T467-V469 PolarHBondContact O-N 3.4Å
470	W	85	Confident	71.3	Confident	122 Å²	122	107.9 Å²	107.9	46%	0.462	55%	0.551	S	S	.	*	P	Polyproline II helix	trans	-58.9	126.6	174.7	-170.8	-93.4	0	0	0	109.8	V405 F406 Y468 R472	V405-W470 HydrophobicContact CG1-CZ2 4.08Å; F406-W470 AromaticContact CD1-CE2 3.95Å; F406-W470 HydrophobicContact CD1-CZ2 4.13Å; F406-W470 AromaticContact CD1-NE1 3.4Å; F406-W470 AromaticContact CE1-CE2 3.54Å; F406-W470 HydrophobicContact CE1-CH2 4.27Å; F406-W470 AromaticContact CE1-CZ2 3.32Å; F406-W470 HydrophobicContact CE1-CZ2 3.32Å; F406-W470 AromaticContact CE1-NE1 3.51Å; F406-W470 HydrophobicContact CZ-CH2 4.5Å; F406-W470 AromaticContact CZ-CZ2 3.69Å; F406-W470 HydrophobicContact CZ-CZ2 3.69Å; Y468-W470 PolarHBondContact O-N 2.89Å; W470-R472 PolarHBondContact O-N 2.82Å
471	P	89.5	Confident	71.6	Confident	28 Å²	28	105 Å²	105	18%	0.182	55%	0.548	C	S	.	.	P	Polyproline II helix	trans	-66.8	131.2	-176	27.6	-34.1	0	0	0	110.2	F406 L449	F406-P471 HydrophobicContact CD1-CG 4.25Å; F406-P471 WeakPolarHBondContact CD1-O 3.33Å; F406-P471 HydrophobicContact CE1-CG 4.27Å; L449-P471 HydrophobicContact CB-CB 4.39Å; L449-P471 HydrophobicContact CD1-CB 4.25Å; L449-P471 HydrophobicContact CD1-CG 4.3Å; L449-P471 HydrophobicContact CD2-CB 4.25Å
472	R	91.5	Very high	72	Confident	116 Å²	116	107.2 Å²	107.2	44%	0.438	54%	0.54	S	S	.	.			trans	-137.1	148	177.7	-56.4	-153.6	-61	177.5	-4.9	112.2	F406 D407 N410 S413 W470	F406-R472 VanDerWaalsContact O-CA 3.29Å; F406-R472 WeakPolarHBondContact O-CA 3.34Å; D407-R472 WeakPolarHBondContact O-CD 3.43Å; N410-R472 PolarHBondContact OD1-NH1 3.21Å; S413-R472 PolarHBondContact OG-NH1 3.39Å; W470-R472 PolarHBondContact O-N 2.82Å
473	N	93	Very high	71.8	Confident	67 Å²	67	104.9 Å²	104.9	36%	0.358	53%	0.526	S	S	.	.	B	Isolated β-bridge	trans	-151.3	170.2	171.5	-162.2	6.1	0	0	0	111.7	F406 D407 S408 S448 L449 L475	F406-N473 PolarHBondContact O-N 3.4Å; D407-N473 CarbonylContact C-O 3.6Å; D407-N473 VanDerWaalsContact CA-O 3.29Å; D407-N473 WeakPolarHBondContact CA-O 3.25Å; S408-N473 PolarHBondContact N-O 3.22Å; S448-N473 WeakPolarHBondContact O-CB 3.33Å; S448-N473 PolarHBondContact O-ND2 2.82Å; L449-N473 HydrophobicContact CD2-CB 4.01Å; N473-L475 HydrophobicContact CB-CD2 4.34Å; N473-L475 PolarHBondContact O-N 2.78Å; N473-L475 VanDerWaalsContact O-N 3.07Å
474	N	92.7	Very high	71.7	Confident	112 Å²	112	99.6 Å²	99.6	60%	0.599	50%	0.498	S	S	*	.			trans	-75.2	89.5	173.4	-63.2	-44.5	0	0	0	110.2	S408	S408-N474 PolarHBondContact OG-OD1 3.3Å
475	L	94.1	Very high	71.6	Confident	12 Å²	12	96.3 Å²	96.3	6%	0.063	49%	0.486	C	S	.	.			trans	-93.1	-22.6	-177	-60	178.2	0	0	0	112.3	R403 F406 D407 L443 N473	R403-L475 HydrophobicContact CG-CB 4.37Å; R403-L475 HydrophobicContact CG-CD1 3.95Å; R403-L475 PolarHBondContact NH1-O 3.45Å; R403-L475 PolarHBondContact NH2-O 2.91Å; R403-L475 VanDerWaalsContact O-CD1 3.25Å; R403-L475 WeakPolarHBondContact O-CD1 3.29Å; F406-L475 HydrophobicContact CB-CD1 3.71Å; D407-L475 WeakPolarHBondContact OD2-CA 3.34Å; D407-L475 PolarHBondContact OD2-N 2.93Å; L443-L475 HydrophobicContact CD1-CD1 3.86Å; L443-L475 HydrophobicContact CD2-CD1 4.49Å; L443-L475 HydrophobicContact CD2-CD2 4.13Å; N473-L475 HydrophobicContact CB-CD2 4.34Å; N473-L475 PolarHBondContact O-N 2.78Å; N473-L475 VanDerWaalsContact O-N 3.07Å
476	F	94.4	Very high	71.6	Confident	2 Å²	2	94.1 Å²	94.1	1%	0.009	48%	0.475	C	S	.	.	S	Bend	trans	-112.2	128.7	178	-68.8	-99.9	0	0	0	110.6	N369 R371 R374 R403 D407 L412	N369-F476 VanDerWaalsContact C-CD1 3.44Å; N369-F476 HydrophobicContact CB-CD1 4.17Å; N369-F476 HydrophobicContact CB-CE1 4.17Å; N369-F476 WeakPolarHBondContact O-CA 3.23Å; R371-F476 HydrophobicContact CB-CB 4Å; R371-F476 PolarHBondContact NH2-O 3.02Å; R374-F476 HydrophobicContact CB-CD1 4.2Å; R374-F476 HydrophobicContact CB-CE1 4.16Å; R374-F476 HydrophobicContact CG-CE1 4.15Å; R374-F476 VanDerWaalsContact NH2-CE1 3.35Å; R403-F476 HydrophobicContact CG-CE2 4.18Å; R403-F476 HydrophobicContact CG-CZ 4.48Å; D407-F476 HydrophobicContact CB-CD2 4.15Å; D407-F476 WeakPolarHBondContact OD2-CD2 3.3Å; D407-F476 PolarHBondContact OD2-N 2.76Å; L412-F476 HydrophobicContact CD2-CB 3.97Å; L412-F476 HydrophobicContact CD2-CD1 4.27Å; L412-F476 HydrophobicContact CD2-CD2 3.55Å; L412-F476 HydrophobicContact CD2-CE2 4.18Å; L412-F476 HydrophobicContact CD2-CG 3.64Å
477	Y	91.5	Very high	71.3	Confident	129 Å²	129	97.1 Å²	97.1	51%	0.506	49%	0.489	S	S	.	.	B	Isolated β-bridge	trans	-79.6	155.1	175.3	68.1	-90.2	0	0	0	110.4	N369 E370 R371	N369-Y477 WeakPolarHBondContact O-CD1 3.38Å; N369-Y477 WeakPolarHBondContact O-CE1 3.01Å; N369-Y477 PolarHBondContact O-N 3.23Å; N369-Y477 VanDerWaalsContact O-N 3.15Å; E370-Y477 WeakPolarHBondContact CA-O 3.32Å; E370-Y477 HydrophobicContact CB-CD2 4.45Å; E370-Y477 HydrophobicContact CB-CE1 4.18Å; E370-Y477 HydrophobicContact CB-CE2 3.82Å; E370-Y477 HydrophobicContact CG-CD2 4.05Å; E370-Y477 HydrophobicContact CG-CE2 3.56Å; R371-Y477 PolarHBondContact N-O 3.18Å
478	E	80.2	Confident	70.8	Confident	141 Å²	141	101.4 Å²	101.4	66%	0.659	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-93	132.6	171.8	-160.8	161.2	176.4	0	0	109	R371	R371-E478 IonicContact CZ-OE2 3.89Å; R371-E478 VanDerWaalsContact NH1-CD 3.3Å; R371-E478 IonicContact NH1-OE2 3.96Å; R371-E478 PolarHBondContact NH1-OE2 3.04Å
479	A	68.9	Low	69.6	Low	40 Å²	40	100.9 Å²	100.9	33%	0.331	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-60.2	141.3	169.5	0	0	0	0	0	109.8	L320 E370	L320-A479 HydrophobicContact CD1-CB 4.32Å; E370-A479 HydrophobicContact CG-CB 4.11Å; E370-A479 PolarHBondContact OE1-N 3.14Å
480	A	60	Low	67.9	Low	85 Å²	85	98.6 Å²	98.6	70%	0.702	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-54.3	138.5	175	0	0	0	0	0	109.9	K482	A480-K482 PolarHBondContact O-N 3.23Å
481	P	54.6	Low	65.9	Low	117 Å²	117	96.2 Å²	96.2	76%	0.76	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-50.1	128.4	176.7	-24.8	31.3	0	0	0	109.8	I483	P481-I483 PolarHBondContact O-N 3.45Å
482	K	57	Low	63.9	Low	109 Å²	109	102.7 Å²	102.7	47%	0.474	52%	0.515	S	S	.	.			trans	-67.9	84	176.3	-65	-172.7	-176.1	-175.3	0	108.6	T317 L320 D321 A480 N484	T317-K482 PolarHBondContact O-NZ 3.06Å; L320-K482 VanDerWaalsContact C-NZ 3.28Å; D321-K482 VanDerWaalsContact CA-NZ 3.28Å; A480-K482 PolarHBondContact O-N 3.23Å; K482-N484 PolarHBondContact O-N 3.18Å; K482-N484 VanDerWaalsContact O-N 3.12Å
483	I	46.8	Very low	61.5	Low	122 Å²	122	102.7 Å²	102.7	63%	0.626	53%	0.532	S	S	*	.			trans	-68.7	109.8	164.8	-62.6	174.7	0	0	0	105.5	P481 R485 N487	P481-I483 PolarHBondContact O-N 3.45Å; I483-R485 PolarHBondContact O-N 2.87Å; I483-N487 HydrophobicContact CG2-CB 3.77Å
484	N	48.5	Very low	59.3	Low	36 Å²	36	105.6 Å²	105.6	19%	0.193	54%	0.543	C	S	.	.			trans	-51.7	135.8	175.4	-166.9	-26.2	0	0	0	108.3	D282 K482 N486 N487	D282-N484 PolarHBondContact OD1-ND2 2.87Å; D282-N484 PolarHBondContact OD2-ND2 3.09Å; K482-N484 PolarHBondContact O-N 3.18Å; K482-N484 VanDerWaalsContact O-N 3.12Å; N484-N486 PolarHBondContact O-N 3.22Å; N484-N486 PolarHBondContact OD1-N 2.73Å; N484-N487 WeakPolarHBondContact O-CB 3.33Å; N484-N487 PolarHBondContact O-N 3.37Å
485	R	45.6	Very low	56.8	Low	155 Å²	155	106.6 Å²	106.6	59%	0.585	54%	0.542	S	S	*	.	G	3₁₀ helix	trans	-55.6	-24.2	176.9	-106.9	-176.5	177.9	173	-3.5	111.6	I483 N487 R488	I483-R485 PolarHBondContact O-N 2.87Å; R485-N487 PolarHBondContact O-N 3.4Å; R485-R488 CarbonylContact O-C 3.55Å; R485-R488 WeakPolarHBondContact O-CA 3.08Å; R485-R488 WeakPolarHBondContact O-CB 3.49Å; R485-R488 PolarHBondContact O-N 2.92Å
486	N	48.2	Very low	54.3	Low	101 Å²	101	115.1 Å²	115.1	54%	0.54	58%	0.579	S	S	.	*	G	3₁₀ helix	trans	-62.2	-20.2	173.1	-67.1	-16.5	0	0	0	114.2	N484	N484-N486 PolarHBondContact O-N 3.22Å; N484-N486 PolarHBondContact OD1-N 2.73Å
487	N	48.2	Very low	51.6	Low	133 Å²	133	123.4 Å²	123.4	71%	0.711	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-86.5	-6.8	171.8	-69.1	-1.2	0	0	0	112.8	I483 N484 R485	I483-N487 HydrophobicContact CG2-CB 3.77Å; N484-N487 WeakPolarHBondContact O-CB 3.33Å; N484-N487 PolarHBondContact O-N 3.37Å; R485-N487 PolarHBondContact O-N 3.4Å
488	R	46.3	Very low	49	Very low	183 Å²	183	124.3 Å²	124.3	69%	0.691	63%	0.631	S	S	*	*	S	Bend	trans	-94.3	127.7	162.8	-75.1	-177.5	173.6	180	-1.2	107.2	R485 I490	R485-R488 CarbonylContact O-C 3.55Å; R485-R488 WeakPolarHBondContact O-CA 3.08Å; R485-R488 WeakPolarHBondContact O-CB 3.49Å; R485-R488 PolarHBondContact O-N 2.92Å; R488-I490 PolarHBondContact O-N 3.49Å
489	E	43.9	Very low	46.9	Very low	196 Å²	196	124.4 Å²	124.4	92%	0.916	63%	0.631	S	S	*	*			trans	-53.7	114.5	168.3	-69.4	-175.2	163	0	0	108.8
490	I	46.5	Very low	45.2	Very low	64 Å²	64	127.9 Å²	127.9	33%	0.328	65%	0.648	S	S	.	*			trans	-69.8	125.7	176.2	-56.8	173.7	0	0	0	106.8	R488 L492 E494 K495	R488-I490 PolarHBondContact O-N 3.49Å; I490-L492 PolarHBondContact O-N 2.75Å; I490-E494 HydrophobicContact CG2-CB 3.54Å; I490-K495 HydrophobicContact CB-CG 4.38Å; I490-K495 HydrophobicContact CG2-CG 4.19Å
491	P	43	Very low	44.2	Very low	72 Å²	72	130.3 Å²	130.3	47%	0.468	65%	0.649	S	S	.	*			trans	-51.7	138.4	171.7	-24.2	33.4	0	0	0	110.3	C493 E494	P491-C493 PolarHBondContact O-N 3.13Å; P491-E494 PolarHBondContact O-N 2.67Å
492	L	47.7	Very low	43.4	Very low	164 Å²	164	129.7 Å²	129.7	86%	0.859	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.1	-25.1	-177.5	-93.2	140.3	0	0	0	114.1	I490	I490-L492 PolarHBondContact O-N 2.75Å
493	C	41.6	Very low	42.6	Very low	117 Å²	117	131.7 Å²	131.7	79%	0.791	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	-18.3	176.7	56.5	0	0	0	0	115.1	P491	P491-C493 PolarHBondContact O-N 3.13Å
494	E	45.3	Very low	42.5	Very low	127 Å²	127	130.4 Å²	130.4	59%	0.593	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.7	-9.1	-177.6	-74.9	-174.1	178.1	0	0	113.8	I490 P491 K496	I490-E494 HydrophobicContact CG2-CB 3.54Å; P491-E494 PolarHBondContact O-N 2.67Å; E494-K496 VanDerWaalsContact C-N 3.35Å; E494-K496 PolarHBondContact O-N 2.78Å
495	K	40.4	Very low	42.5	Very low	133 Å²	133	132.7 Å²	132.7	58%	0.578	67%	0.671	S	S	*	*			trans	-69.5	96.6	170	-74.8	-177.2	180	176.8	0	107.8	I490 Q497	I490-K495 HydrophobicContact CB-CG 4.38Å; I490-K495 HydrophobicContact CG2-CG 4.19Å; K495-Q497 PolarHBondContact O-N 2.79Å
496	K	40.8	Very low	43	Very low	192 Å²	192	129.2 Å²	129.2	84%	0.835	66%	0.657	S	S	*	*			trans	-49.2	111.2	158.5	-89.5	-175	174.5	-178.7	0	105.8	E494 N498	E494-K496 VanDerWaalsContact C-N 3.35Å; E494-K496 PolarHBondContact O-N 2.78Å; K496-N498 PolarHBondContact O-N 2.78Å
497	Q	39.4	Very low	44	Very low	175 Å²	175	127.8 Å²	127.8	82%	0.818	65%	0.654	S	S	*	*			trans	-54.1	119.2	162.5	-81	178.5	-16.8	0	0	104.6	K495 H499	K495-Q497 PolarHBondContact O-N 2.79Å; Q497-H499 PolarHBondContact O-N 3.2Å
498	N	36.4	Very low	45.3	Very low	149 Å²	149	128.5 Å²	128.5	80%	0.797	66%	0.657	S	S	*	*			trans	-65.7	70.3	164.3	-77.6	-20.7	0	0	0	106.6	K496 V500	K496-N498 PolarHBondContact O-N 2.78Å; N498-V500 HydrophobicContact CB-CG2 4.28Å; N498-V500 PolarHBondContact O-N 2.97Å
499	H	35.5	Very low	46.5	Very low	143 Å²	143	122.3 Å²	122.3	66%	0.662	64%	0.644	S	S	*	*			trans	-70.8	83.6	152.4	-137.2	-64.4	0	0	0	103.4	Q497 L501	Q497-H499 PolarHBondContact O-N 3.2Å; H499-L501 PolarHBondContact O-N 2.9Å
500	V	34.6	Very low	47.8	Very low	112 Å²	112	114.9 Å²	114.9	68%	0.679	61%	0.61	S	S	*	*			trans	-63.6	78.8	159.6	-176.8	0	0	0	0	104	N498 N502	N498-V500 HydrophobicContact CB-CG2 4.28Å; N498-V500 PolarHBondContact O-N 2.97Å; V500-N502 PolarHBondContact O-N 3.32Å
501	L	38.7	Very low	49.4	Very low	137 Å²	137	115.9 Å²	115.9	72%	0.717	62%	0.616	S	S	*	*			trans	-57.6	105.1	151.6	-76.9	166.9	0	0	0	102.5	H499 E503	H499-L501 PolarHBondContact O-N 2.9Å; L501-E503 VanDerWaalsContact C-N 3.3Å; L501-E503 PolarHBondContact O-N 2.99Å
502	N	36.1	Very low	51.3	Low	104 Å²	104	114.4 Å²	114.4	56%	0.556	61%	0.609	S	S	*	*			trans	-48.1	101.7	175.1	-150	11	0	0	0	105.8	V500 S504 S505	V500-N502 PolarHBondContact O-N 3.32Å; N502-S504 VanDerWaalsContact CG-OG 3.3Å; N502-S504 PolarHBondContact ND2-OG 2.65Å; N502-S504 PolarHBondContact O-N 2.75Å; N502-S504 PolarHBondContact OD1-OG 2.82Å; N502-S505 PolarHBondContact O-N 3.47Å; N502-S505 VanDerWaalsContact O-N 3.12Å
503	E	41	Very low	53.1	Low	150 Å²	150	107.5 Å²	107.5	70%	0.701	57%	0.574	S	S	*	*	G	3₁₀ helix	trans	-56.3	-21.1	-175	-105.1	-164.7	-174.1	0	0	110.5	K264 L501 S505	K264-E503 IonicContact NZ-OE1 2.89Å; K264-E503 IonicContact NZ-OE2 3.67Å; K264-E503 PolarHBondContact NZ-OE2 3.32Å; L501-E503 VanDerWaalsContact C-N 3.3Å; L501-E503 PolarHBondContact O-N 2.99Å; E503-S505 VanDerWaalsContact C-N 3.27Å; E503-S505 PolarHBondContact O-N 2.99Å
504	S	44.7	Very low	55.3	Low	96 Å²	96	102.9 Å²	102.9	67%	0.671	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-74.5	2.8	-179.7	61.6	0	0	0	0	115.9	N502	N502-S504 VanDerWaalsContact CG-OG 3.3Å; N502-S504 PolarHBondContact ND2-OG 2.65Å; N502-S504 PolarHBondContact O-N 2.75Å; N502-S504 PolarHBondContact OD1-OG 2.82Å
505	S	48.9	Very low	57.3	Low	84 Å²	84	99.4 Å²	99.4	59%	0.587	53%	0.53	S	S	*	.	G	3₁₀ helix	trans	-142	46.7	179.9	67.7	0	0	0	0	114.7	N502 E503	N502-S505 PolarHBondContact O-N 3.47Å; N502-S505 VanDerWaalsContact O-N 3.12Å; E503-S505 VanDerWaalsContact C-N 3.27Å; E503-S505 PolarHBondContact O-N 2.99Å
506	R	56.1	Low	59.2	Low	81 Å²	81	94.4 Å²	94.4	31%	0.306	51%	0.511	S	S	.	.	S	Bend	trans	-61.7	139.5	156.6	-72.3	-170.5	177.9	-166.8	-0.2	108.4	A259 L508 L511	A259-R506 VanDerWaalsContact CB-CZ 3.47Å; A259-R506 VanDerWaalsContact CB-NH2 3.33Å; R506-L508 PolarHBondContact O-N 3.06Å; R506-L511 HydrophobicContact CB-CD2 4.15Å; R506-L511 HydrophobicContact CB-CG 4.17Å
507	P	69.2	Low	61.3	Low	72 Å²	72	92.4 Å²	92.4	47%	0.468	51%	0.51	S	S	.	.			trans	-52.2	138.4	175.7	-24	32.8	0	0	0	109.9	A509 Q510 L511	P507-A509 PolarHBondContact O-N 2.98Å; P507-Q510 WeakPolarHBondContact O-CB 3.44Å; P507-Q510 PolarHBondContact O-N 2.86Å; P507-L511 PolarHBondContact O-N 3.26Å
508	L	74.6	Confident	63.7	Low	148 Å²	148	85.9 Å²	85.9	78%	0.775	48%	0.478	S	S	*	.	H	α-helix	trans	-49.6	-35.4	-179.9	-177.7	64.2	0	0	0	112	R506 Q510 L511 A512	R506-L508 PolarHBondContact O-N 3.06Å; L508-Q510 VanDerWaalsContact C-N 3.34Å; L508-Q510 PolarHBondContact O-N 3.2Å; L508-L511 PolarHBondContact O-N 2.76Å; L508-A512 PolarHBondContact O-N 2.6Å
509	A	71.9	Confident	66	Low	52 Å²	52	82.2 Å²	82.2	43%	0.43	46%	0.458	S	S	.	.	H	α-helix	trans	-59.5	-37.2	175	0	0	0	0	0	113.9	P507 L545	P507-A509 PolarHBondContact O-N 2.98Å; A509-L545 HydrophobicContact CB-CD1 4.07Å
510	Q	71.4	Confident	68.4	Low	41 Å²	41	75.5 Å²	75.5	19%	0.192	43%	0.427	C	S	.	.	H	α-helix	trans	-76.1	-27.6	177.4	-167.2	-178	0.6	0	0	111.9	H256 P507 L508 V513	H256-Q510 PolarHBondContact CE1-NE2 3.04Å; H256-Q510 PolarHBondContact ND1-NE2 3.19Å; H256-Q510 PolarHBondContact NE2-NE2 2.99Å; H256-Q510 VanDerWaalsContact NE2-NE2 3.15Å; P507-Q510 WeakPolarHBondContact O-CB 3.44Å; P507-Q510 PolarHBondContact O-N 2.86Å; L508-Q510 VanDerWaalsContact C-N 3.34Å; L508-Q510 PolarHBondContact O-N 3.2Å; Q510-V513 WeakPolarHBondContact O-CG1 3.4Å
511	L	79.1	Confident	70.7	Confident	85 Å²	85	72.8 Å²	72.8	45%	0.445	41%	0.413	S	S	.	.	H	α-helix	trans	-77.9	-30.4	173.8	-64.2	177.6	0	0	0	112	R506 P507 L508 V513 F514	R506-L511 HydrophobicContact CB-CD2 4.15Å; R506-L511 HydrophobicContact CB-CG 4.17Å; P507-L511 PolarHBondContact O-N 3.26Å; L508-L511 PolarHBondContact O-N 2.76Å; L511-V513 PolarHBondContact O-N 3.12Å; L511-F514 HydrophobicContact CD2-CD2 4.45Å; L511-F514 PolarHBondContact O-N 2.64Å
512	A	84.1	Confident	72.7	Confident	41 Å²	41	73.3 Å²	73.3	34%	0.339	41%	0.414	S	S	.	.	H	α-helix	trans	-57.9	-32.1	178.1	0	0	0	0	0	112.5	L508 F514 S515 Y518	L508-A512 PolarHBondContact O-N 2.6Å; A512-F514 PolarHBondContact O-N 3.1Å; A512-F514 VanDerWaalsContact O-N 3.15Å; A512-S515 VanDerWaalsContact O-CB 3.26Å; A512-S515 WeakPolarHBondContact O-CB 3.48Å; A512-S515 PolarHBondContact O-N 2.6Å; A512-Y518 WeakPolarHBondContact O-CB 3.34Å
513	V	85.6	Confident	74.6	Confident	19 Å²	19	70.4 Å²	70.4	12%	0.115	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-20.8	178	86.6	0	0	0	0	113.5	I252 Q510 L511 Y518	I252-V513 HydrophobicContact CD1-CB 4.39Å; I252-V513 HydrophobicContact CD1-CG1 4.04Å; I252-V513 HydrophobicContact CD1-CG2 3.48Å; I252-V513 VanDerWaalsContact CD1-CG2 3.48Å; I252-V513 HydrophobicContact CG1-CG2 3.88Å; Q510-V513 WeakPolarHBondContact O-CG1 3.4Å; L511-V513 PolarHBondContact O-N 3.12Å; V513-Y518 HydrophobicContact CB-CD1 4.43Å; V513-Y518 HydrophobicContact CB-CE1 4.33Å; V513-Y518 HydrophobicContact CG2-CD1 3.88Å; V513-Y518 HydrophobicContact CG2-CE1 3.59Å
514	F	87.4	Confident	76	Confident	20 Å²	20	66.6 Å²	66.6	9%	0.088	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-1.7	177.6	-57.6	-34.8	0	0	0	113.1	V238 H256 H260 L511 A512	V238-F514 HydrophobicContact CG1-CD1 4.47Å; H256-F514 WeakPolarHBondContact O-CZ 3.3Å; H260-F514 AromaticContact CD2-CD1 3.6Å; H260-F514 AromaticContact CD2-CG 3.82Å; L511-F514 HydrophobicContact CD2-CD2 4.45Å; L511-F514 PolarHBondContact O-N 2.64Å; A512-F514 PolarHBondContact O-N 3.1Å; A512-F514 VanDerWaalsContact O-N 3.15Å
515	S	87.4	Confident	77.2	Confident	53 Å²	53	65.2 Å²	65.2	37%	0.371	38%	0.378	S	S	.	.	S	Bend	trans	-69.1	131.9	171.8	-178.5	0	0	0	0	109.4	A512 N517 Y518	A512-S515 VanDerWaalsContact O-CB 3.26Å; A512-S515 WeakPolarHBondContact O-CB 3.48Å; A512-S515 PolarHBondContact O-N 2.6Å; S515-N517 PolarHBondContact O-N 2.52Å; S515-N517 VanDerWaalsContact O-N 3.13Å; S515-N517 PolarHBondContact OG-N 3.25Å; S515-Y518 VanDerWaalsContact O-CB 3.24Å; S515-Y518 WeakPolarHBondContact O-CB 3.31Å; S515-Y518 PolarHBondContact O-N 2.92Å
516	P	81	Confident	78	Confident	29 Å²	29	62.4 Å²	62.4	19%	0.188	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-30.1	173.2	-24.7	33.9	0	0	0	112.7	H234 Q237 N241 Y518	H234-P516 HydrophobicContact CB-CG 4.34Å; H234-P516 WeakPolarHBondContact ND1-CG 3.19Å; Q237-P516 HydrophobicContact CB-CB 4.11Å; Q237-P516 HydrophobicContact CG-CB 3.91Å; Q237-P516 WeakPolarHBondContact CG-O 3.44Å; N241-P516 PolarHBondContact ND2-O 3.33Å; P516-Y518 VanDerWaalsContact C-N 3.33Å
517	N	84.8	Confident	78.3	Confident	149 Å²	149	63.5 Å²	63.5	80%	0.797	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	9.4	-178.6	-59.9	-22.5	0	0	0	112.9	S515 D519	S515-N517 PolarHBondContact O-N 2.52Å; S515-N517 VanDerWaalsContact O-N 3.13Å; S515-N517 PolarHBondContact OG-N 3.25Å; N517-D519 PolarHBondContact O-N 2.98Å
518	Y	89	Confident	77.7	Confident	38 Å²	38	65.8 Å²	65.8	15%	0.149	38%	0.376	C	S	.	.			trans	-69.7	126.1	176.2	178.6	-103.1	0	0	0	110.5	N241 S242 A512 V513 S515 P516 P520 N523	N241-Y518 PolarHBondContact ND2-O 2.85Å; S242-Y518 WeakPolarHBondContact OG-CD1 3.47Å; A512-Y518 WeakPolarHBondContact O-CB 3.34Å; V513-Y518 HydrophobicContact CB-CD1 4.43Å; V513-Y518 HydrophobicContact CB-CE1 4.33Å; V513-Y518 HydrophobicContact CG2-CD1 3.88Å; V513-Y518 HydrophobicContact CG2-CE1 3.59Å; S515-Y518 VanDerWaalsContact O-CB 3.24Å; S515-Y518 WeakPolarHBondContact O-CB 3.31Å; S515-Y518 PolarHBondContact O-N 2.92Å; P516-Y518 VanDerWaalsContact C-N 3.33Å; Y518-P520 HydrophobicContact CD1-CG 4.13Å; Y518-P520 HydrophobicContact CE1-CB 4Å; Y518-P520 HydrophobicContact CE1-CG 3.68Å; Y518-N523 PolarHBondContact OH-ND2 2.89Å
519	D	85.7	Confident	76.4	Confident	73 Å²	73	62 Å²	62	39%	0.39	36%	0.361	S	S	.	.			trans	-113.6	110.2	172.2	-176.4	-8.2	0	0	0	109.3	N517 S521 M522	N517-D519 PolarHBondContact O-N 2.98Å; D519-S521 PolarHBondContact O-N 3.37Å; D519-S521 VanDerWaalsContact O-N 3.17Å; D519-S521 VanDerWaalsContact OD1-CB 3.25Å; D519-S521 WeakPolarHBondContact OD1-CB 3.36Å; D519-S521 PolarHBondContact OD1-N 2.81Å; D519-S521 PolarHBondContact OD1-OG 3.31Å; D519-S521 PolarHBondContact OD2-OG 3.18Å; D519-M522 HydrophobicContact CB-CG 4.05Å; D519-M522 PolarHBondContact O-N 2.84Å; D519-M522 VanDerWaalsContact O-N 3.14Å
520	P	85.2	Confident	74.9	Confident	2 Å²	2	65.3 Å²	65.3	1%	0.013	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-57.9	-26.1	176.5	-17.3	25.5	0	0	0	113.8	N241 A250 Y518 M522 N523 L526	N241-P520 WeakPolarHBondContact O-CG 3.49Å; A250-P520 HydrophobicContact CB-CB 3.91Å; A250-P520 HydrophobicContact CB-CG 4.44Å; Y518-P520 HydrophobicContact CD1-CG 4.13Å; Y518-P520 HydrophobicContact CE1-CB 4Å; Y518-P520 HydrophobicContact CE1-CG 3.68Å; P520-M522 PolarHBondContact O-N 3.18Å; P520-N523 WeakPolarHBondContact O-CB 3.37Å; P520-N523 PolarHBondContact O-N 3.4Å; P520-N523 VanDerWaalsContact O-N 3.14Å; P520-L526 HydrophobicContact CB-CD1 3.71Å; P520-L526 WeakPolarHBondContact O-CD1 3.41Å
521	S	82.2	Confident	73.3	Confident	54 Å²	54	69.8 Å²	69.8	38%	0.378	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-68.3	-22.7	-179.6	78.5	0	0	0	0	112.8	D519 N523 L527	D519-S521 PolarHBondContact O-N 3.37Å; D519-S521 VanDerWaalsContact O-N 3.17Å; D519-S521 VanDerWaalsContact OD1-CB 3.25Å; D519-S521 WeakPolarHBondContact OD1-CB 3.36Å; D519-S521 PolarHBondContact OD1-N 2.81Å; D519-S521 PolarHBondContact OD1-OG 3.31Å; D519-S521 PolarHBondContact OD2-OG 3.18Å; S521-N523 VanDerWaalsContact C-N 3.32Å; S521-L527 WeakPolarHBondContact O-CD1 3.45Å
522	M	80.5	Confident	71.1	Confident	149 Å²	149	72.5 Å²	72.5	73%	0.734	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-84.8	-6	176	-61.1	-57.8	-66.5	0	0	113	D519 P520 S524	D519-M522 HydrophobicContact CB-CG 4.05Å; D519-M522 PolarHBondContact O-N 2.84Å; D519-M522 VanDerWaalsContact O-N 3.14Å; P520-M522 PolarHBondContact O-N 3.18Å; M522-S524 PolarHBondContact O-N 3.33Å
523	N	77.6	Confident	68.6	Low	42 Å²	42	79.1 Å²	79.1	23%	0.225	45%	0.445	C	S	.	.			trans	-83.7	106.5	178.9	-171.8	-26.6	0	0	0	110.4	Y518 P520 S521 C525 L526 L527	Y518-N523 PolarHBondContact OH-ND2 2.89Å; P520-N523 WeakPolarHBondContact O-CB 3.37Å; P520-N523 PolarHBondContact O-N 3.4Å; P520-N523 VanDerWaalsContact O-N 3.14Å; S521-N523 VanDerWaalsContact C-N 3.32Å; N523-C525 PolarHBondContact O-N 3.29Å; N523-C525 VanDerWaalsContact O-N 3.12Å; N523-C525 WeakPolarHBondContact OD1-CB 3.48Å; N523-C525 PolarHBondContact OD1-N 2.59Å; N523-C525 VanDerWaalsContact OD1-N 3.07Å; N523-L526 HydrophobicContact CB-CB 4.32Å; N523-L526 HydrophobicContact CB-CD1 4.02Å; N523-L526 HydrophobicContact CB-CG 4.09Å; N523-L526 WeakPolarHBondContact O-CA 3.24Å; N523-L526 WeakPolarHBondContact O-CB 3.47Å; N523-L526 PolarHBondContact O-N 3.31Å; N523-L527 PolarHBondContact O-N 3.38Å; N523-L527 VanDerWaalsContact O-N 3.16Å
524	S	69.3	Low	65.9	Low	71 Å²	71	82.3 Å²	82.3	50%	0.497	47%	0.468	S	S	.	.	H	α-helix	trans	-57.5	-28.2	-179.1	60.2	0	0	0	0	113.9	M522 L526 L527 N528	M522-S524 PolarHBondContact O-N 3.33Å; S524-L526 VanDerWaalsContact C-N 3.27Å; S524-L526 PolarHBondContact O-N 2.91Å; S524-L527 PolarHBondContact O-N 3.03Å; S524-N528 WeakPolarHBondContact O-CB 3.37Å; S524-N528 PolarHBondContact O-N 2.9Å
525	C	70.4	Confident	63.1	Low	66 Å²	66	88 Å²	88	45%	0.446	50%	0.504	S	S	.	.	H	α-helix	trans	-72.4	-20.5	176	-62.9	0	0	0	0	113.2	N523 L545	N523-C525 PolarHBondContact O-N 3.29Å; N523-C525 VanDerWaalsContact O-N 3.12Å; N523-C525 WeakPolarHBondContact OD1-CB 3.48Å; N523-C525 PolarHBondContact OD1-N 2.59Å; N523-C525 VanDerWaalsContact OD1-N 3.07Å; C525-L545 HydrophobicContact CB-CD2 4.36Å
526	L	66.4	Low	60.1	Low	25 Å²	25	93.5 Å²	93.5	13%	0.131	53%	0.53	C	S	.	.	H	α-helix	trans	-85.5	-33.6	171	-65.4	-179.9	0	0	0	111.3	L247 K249 A250 P520 N523 S524	L247-L526 HydrophobicContact CD2-CB 4.3Å; K249-L526 HydrophobicContact CB-CD2 4.38Å; K249-L526 HydrophobicContact CD-CD2 3.96Å; K249-L526 HydrophobicContact CG-CD2 3.68Å; A250-L526 HydrophobicContact CB-CD1 3.96Å; P520-L526 HydrophobicContact CB-CD1 3.71Å; P520-L526 WeakPolarHBondContact O-CD1 3.41Å; N523-L526 HydrophobicContact CB-CB 4.32Å; N523-L526 HydrophobicContact CB-CD1 4.02Å; N523-L526 HydrophobicContact CB-CG 4.09Å; N523-L526 WeakPolarHBondContact O-CA 3.24Å; N523-L526 WeakPolarHBondContact O-CB 3.47Å; N523-L526 PolarHBondContact O-N 3.31Å; S524-L526 VanDerWaalsContact C-N 3.27Å; S524-L526 PolarHBondContact O-N 2.91Å
527	L	61.6	Low	57.6	Low	104 Å²	104	96.8 Å²	96.8	55%	0.545	55%	0.553	S	S	.	*	H	α-helix	trans	-71.7	-40.6	176.8	-72.2	166.1	0	0	0	113.3	S521 N523 S524 C529	S521-L527 WeakPolarHBondContact O-CD1 3.45Å; N523-L527 PolarHBondContact O-N 3.38Å; N523-L527 VanDerWaalsContact O-N 3.16Å; S524-L527 PolarHBondContact O-N 3.03Å; L527-C529 PolarHBondContact O-N 3.31Å
528	N	55.6	Low	54.7	Low	121 Å²	121	101.8 Å²	101.8	65%	0.647	56%	0.561	S	S	*	*	S	Bend	trans	-74.7	-4.4	-174.4	-75	1.8	0	0	0	114.2	S524 T530	S524-N528 WeakPolarHBondContact O-CB 3.37Å; S524-N528 PolarHBondContact O-N 2.9Å; N528-T530 PolarHBondContact O-N 3.21Å
529	C	49.1	Very low	51.8	Low	68 Å²	68	106.3 Å²	106.3	46%	0.459	59%	0.587	S	S	.	*			trans	-83	59.1	169.2	-77.4	0	0	0	0	110.7	K249 L527	K249-C529 PolarHBondContact NZ-SG 2.87Å; L527-C529 PolarHBondContact O-N 3.31Å
530	T	39.1	Very low	49	Very low	121 Å²	121	106.8 Å²	106.8	74%	0.742	60%	0.596	S	S	*	*			trans	-94.2	56.3	153.8	55	0	0	0	0	107.4	N528	N528-T530 PolarHBondContact O-N 3.21Å
531	D	38.9	Very low	46.4	Very low	135 Å²	135	113.9 Å²	113.9	72%	0.722	63%	0.634	S	S	*	*			trans	-98.7	121.7	172.3	-76.1	-30.3	0	0	0	107.7	L533	D531-L533 PolarHBondContact O-N 2.83Å
532	D	33.1	Very low	43.9	Very low	142 Å²	142	118.4 Å²	118.4	76%	0.759	65%	0.654	S	S	*	*			trans	-37.1	128	-179.9	-65.8	-53.2	0	0	0	112.5	S534	D532-S534 PolarHBondContact O-N 2.96Å
533	L	31.8	Very low	41.4	Very low	181 Å²	181	115.4 Å²	115.4	95%	0.948	64%	0.641	S	S	*	*	S	Bend	trans	-66	58	168.4	-82.6	154.7	0	0	0	110.5	D531	D531-L533 PolarHBondContact O-N 2.83Å
534	S	27.8	Very low	39.1	Very low	85 Å²	85	118.6 Å²	118.6	59%	0.594	66%	0.661	S	S	*	*			trans	-165.4	91.6	168.9	62.3	0	0	0	0	108.9	D532	D532-S534 PolarHBondContact O-N 2.96Å
535	T	28.1	Very low	37.3	Very low	140 Å²	140	119 Å²	119	86%	0.859	66%	0.657	S	S	*	*			trans	165.9	133.4	135.4	38.2	0	0	0	0	111.2	S537	T535-S537 PolarHBondContact O-N 2.89Å
536	D	25.4	Very low	35	Very low	169 Å²	169	124.3 Å²	124.3	90%	0.904	67%	0.673	S	S	*	*			trans	-49.2	113.8	173.8	-85.1	-57.5	0	0	0	113
537	S	28.2	Very low	33	Very low	97 Å²	97	130.6 Å²	130.6	68%	0.678	71%	0.706	S	S	*	*			trans	-143.9	113.7	151.7	63.1	0	0	0	0	110.8	T535 L539	T535-S537 PolarHBondContact O-N 2.89Å; S537-L539 PolarHBondContact O-N 3.16Å; S537-L539 VanDerWaalsContact O-N 3.1Å
538	R	24.4	Very low	31.1	Very low	254 Å²	254	130 Å²	130	96%	0.958	71%	0.711	S	S	*	*			trans	-70.9	97.3	175.5	-68.9	175.4	179.7	172.6	-0.5	108.9
539	L	26.6	Very low	29.6	Very low	133 Å²	133	132.1 Å²	132.1	70%	0.696	72%	0.722	S	S	*	*			trans	-87.5	127.2	170.6	-78.8	161.8	0	0	0	110.2	S537	S537-L539 PolarHBondContact O-N 3.16Å; S537-L539 VanDerWaalsContact O-N 3.1Å
540	S	27.7	Very low	28.4	Very low	83 Å²	83	133.7 Å²	133.7	58%	0.58	73%	0.73	S	S	*	*			trans	-73.5	147.4	174.7	77.9	0	0	0	0	110.9	N542	S540-N542 PolarHBondContact O-N 3.2Å
541	N	29.6	Very low	27.6	Very low	152 Å²	152	138 Å²	138	81%	0.813	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.1	1.8	-172.5	-80.9	-6	0	0	0	117.9
542	N	30.1	Very low	27	Very low	148 Å²	148	137.6 Å²	137.6	79%	0.791	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103	0.3	-173.8	-74.3	-9.9	0	0	0	115.5	S540	S540-N542 PolarHBondContact O-N 3.2Å
543	D	29.4	Very low	26.6	Very low	87 Å²	87	139.4 Å²	139.4	47%	0.465	75%	0.745	S	S	.	*			trans	-97.9	24.9	177.9	-73	-38.7	0	0	0	113.9	L545	D543-L545 PolarHBondContact O-N 2.8Å
544	V	28.8	Very low	26.1	Very low	108 Å²	108	135.6 Å²	135.6	66%	0.655	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	96.4	166.6	-174.7	0	0	0	0	108.2
545	L	30.7	Very low	26	Very low	79 Å²	79	136.6 Å²	136.6	41%	0.414	75%	0.746	S	S	.	*	T	Hydrogen-bonded Turn	trans	73.8	56.3	167.5	-52.4	167	0	0	0	116.5	A509 C525 D543 L547	A509-L545 HydrophobicContact CB-CD1 4.07Å; C525-L545 HydrophobicContact CB-CD2 4.36Å; D543-L545 PolarHBondContact O-N 2.8Å; L545-L547 PolarHBondContact O-N 3.44Å
546	K	22.7	Very low	25.7	Very low	178 Å²	178	136.3 Å²	136.3	77%	0.774	74%	0.744	S	S	*	*			trans	-77.9	104.2	154.6	-109.5	174	-177.7	164.7	0	108.9	S548	K546-S548 PolarHBondContact O-N 2.91Å; K546-S548 VanDerWaalsContact O-N 3.13Å
547	L	23.3	Very low	25.6	Very low	157 Å²	157	135.1 Å²	135.1	82%	0.822	74%	0.737	S	S	*	*			trans	-58.8	115.5	161.3	-97.2	90	0	0	0	107.5	L545 N549	L545-L547 PolarHBondContact O-N 3.44Å; L547-N549 PolarHBondContact O-N 3.48Å
548	S	23.7	Very low	25.2	Very low	92 Å²	92	136.7 Å²	136.7	64%	0.643	74%	0.742	S	S	*	*			trans	-66.4	125.7	168.5	49.2	0	0	0	0	108.3	K546 T550	K546-S548 PolarHBondContact O-N 2.91Å; K546-S548 VanDerWaalsContact O-N 3.13Å; S548-T550 PolarHBondContact O-N 2.98Å
549	N	22.3	Very low	25.1	Very low	165 Å²	165	128.9 Å²	128.9	88%	0.882	73%	0.726	S	S	*	*			trans	-63.4	81.1	167.4	-81.5	-13.4	0	0	0	108.8	L547 K551	L547-N549 PolarHBondContact O-N 3.48Å; N549-K551 PolarHBondContact O-N 2.98Å
550	T	24	Very low	24.9	Very low	101 Å²	101	128.9 Å²	128.9	62%	0.62	73%	0.732	S	S	*	*			trans	-79.4	108.8	165.8	48.9	0	0	0	0	107.3	S548 T552	S548-T550 PolarHBondContact O-N 2.98Å; T550-T552 VanDerWaalsContact C-N 3.31Å; T550-T552 PolarHBondContact O-N 2.97Å; T550-T552 PolarHBondContact O-OG1 3.18Å; T550-T552 VanDerWaalsContact O-OG1 3.12Å
551	K	23.4	Very low	24.6	Very low	213 Å²	213	132.5 Å²	132.5	93%	0.926	74%	0.744	S	S	*	*			trans	-52.3	96.8	166.9	-76.1	177.4	173.9	179.1	0	107.9	N549	N549-K551 PolarHBondContact O-N 2.98Å
552	T	25	Very low	24.2	Very low	126 Å²	126	131.7 Å²	131.7	77%	0.773	75%	0.745	S	S	*	*			trans	-91.4	124.6	173.6	-9.5	0	0	0	0	107.7	T550	T550-T552 VanDerWaalsContact C-N 3.31Å; T550-T552 PolarHBondContact O-N 2.97Å; T550-T552 PolarHBondContact O-OG1 3.18Å; T550-T552 VanDerWaalsContact O-OG1 3.12Å
553	E	25.3	Very low	23.9	Very low	180 Å²	180	130.5 Å²	130.5	84%	0.841	74%	0.743	S	S	*	*			trans	-63.1	140.2	177.9	-68.8	176.4	156	0	0	110.9	S555	E553-S555 PolarHBondContact O-N 3.46Å
554	A	22.5	Very low	23.5	Very low	101 Å²	101	130.8 Å²	130.8	84%	0.835	76%	0.757	S	S	*	*			trans	-25.3	111.6	177	0	0	0	0	0	116
555	S	26	Very low	23.3	Very low	106 Å²	106	131.5 Å²	131.5	74%	0.741	76%	0.762	S	S	*	*			trans	-125.6	105.8	153	9.7	0	0	0	0	108.4	E553 I557	E553-S555 PolarHBondContact O-N 3.46Å; S555-I557 PolarHBondContact O-N 3.22Å; S555-I557 VanDerWaalsContact O-N 3.12Å
556	T	20.8	Very low	22.9	Very low	133 Å²	133	134.1 Å²	134.1	82%	0.816	78%	0.781	S	S	*	*			trans	-63.4	101.3	-179.8	-39.8	0	0	0	0	109.6
557	I	23	Very low	22.9	Very low	145 Å²	145	131.5 Å²	131.5	74%	0.744	78%	0.78	S	S	*	*			trans	-111.4	106.7	166.3	-58.9	179.5	0	0	0	107.9	S555 S559	S555-I557 PolarHBondContact O-N 3.22Å; S555-I557 VanDerWaalsContact O-N 3.12Å; I557-S559 PolarHBondContact O-N 2.87Å; I557-S559 VanDerWaalsContact O-N 3.15Å
558	T	20.4	Very low	22.9	Very low	129 Å²	129	128.2 Å²	128.2	79%	0.791	78%	0.776	S	S	*	*			trans	-72.7	93.4	175.1	-35.8	0	0	0	0	108.5
559	S	22.4	Very low	22.8	Very low	90 Å²	90	130.7 Å²	130.7	63%	0.629	78%	0.781	S	S	*	*			trans	-112.2	113.3	166.9	49.5	0	0	0	0	109.6	I557 L561	I557-S559 PolarHBondContact O-N 2.87Å; I557-S559 VanDerWaalsContact O-N 3.15Å; S559-L561 PolarHBondContact O-N 3.09Å; S559-L561 VanDerWaalsContact O-N 3.09Å
560	T	21.5	Very low	22.9	Very low	134 Å²	134	128.7 Å²	128.7	82%	0.822	77%	0.77	S	S	*	*			trans	-62.1	102.3	175.5	41.3	0	0	0	0	110	T562	T560-T562 PolarHBondContact O-N 2.74Å
561	L	21.1	Very low	23	Very low	159 Å²	159	130.3 Å²	130.3	83%	0.832	77%	0.774	S	S	*	*			trans	-71.5	105.5	166.8	-92.1	120.3	0	0	0	109.2	S559 T563	S559-L561 PolarHBondContact O-N 3.09Å; S559-L561 VanDerWaalsContact O-N 3.09Å; L561-T563 PolarHBondContact O-N 3.38Å
562	T	22	Very low	23	Very low	135 Å²	135	126.1 Å²	126.1	83%	0.828	76%	0.762	S	S	*	*			trans	-68.2	104.7	159.8	39.6	0	0	0	0	108.5	T560 A564	T560-T562 PolarHBondContact O-N 2.74Å; T562-A564 PolarHBondContact O-N 2.91Å; T562-A564 VanDerWaalsContact O-N 3.12Å
563	T	23	Very low	23.1	Very low	123 Å²	123	127.6 Å²	127.6	76%	0.755	76%	0.764	S	S	*	*			trans	-66.7	97.4	176.1	33.5	0	0	0	0	110.6	L561 T565	L561-T563 PolarHBondContact O-N 3.38Å; T563-T565 PolarHBondContact O-N 3.46Å
564	A	22.4	Very low	23.1	Very low	92 Å²	92	126.3 Å²	126.3	76%	0.76	76%	0.763	S	S	*	*			trans	-74.6	104.7	161.3	0	0	0	0	0	108.2	T562 V566	T562-A564 PolarHBondContact O-N 2.91Å; T562-A564 VanDerWaalsContact O-N 3.12Å; A564-V566 PolarHBondContact O-N 2.95Å
565	T	23.5	Very low	23.1	Very low	123 Å²	123	130 Å²	130	76%	0.755	77%	0.768	S	S	*	*			trans	-66.5	95	175.8	48.5	0	0	0	0	110	T563 T567	T563-T565 PolarHBondContact O-N 3.46Å; T565-T567 PolarHBondContact O-N 2.87Å
566	V	23.3	Very low	23	Very low	135 Å²	135	127.5 Å²	127.5	82%	0.818	76%	0.759	S	S	*	*			trans	-86.2	101.2	165.9	-179.7	0	0	0	0	107.7	A564 A568	A564-V566 PolarHBondContact O-N 2.95Å; V566-A568 PolarHBondContact O-N 3.25Å
567	T	22.3	Very low	23.3	Very low	122 Å²	122	129 Å²	129	75%	0.748	76%	0.763	S	S	*	*			trans	-65.5	97.4	176.6	-27.1	0	0	0	0	109.1	T565 I569	T565-T567 PolarHBondContact O-N 2.87Å; T567-I569 PolarHBondContact O-N 3.21Å
568	A	22.7	Very low	23.3	Very low	89 Å²	89	130.3 Å²	130.3	74%	0.736	77%	0.771	S	S	*	*			trans	-71.1	106.7	169.1	0	0	0	0	0	108.6	V566 N570	V566-A568 PolarHBondContact O-N 3.25Å; A568-N570 VanDerWaalsContact C-N 3.32Å; A568-N570 PolarHBondContact O-N 3.49Å
569	I	22.9	Very low	23.6	Very low	144 Å²	144	130.1 Å²	130.1	74%	0.738	77%	0.774	S	S	*	*			trans	-69.4	95	170	-62.3	173.7	0	0	0	106.8	T567 N571	T567-I569 PolarHBondContact O-N 3.21Å; I569-N571 PolarHBondContact O-N 2.91Å
570	N	23.4	Very low	23.7	Very low	122 Å²	122	130.9 Å²	130.9	65%	0.652	78%	0.779	S	S	*	*			trans	-77.6	94.4	176.2	-172	36.9	0	0	0	109	A568 N572	A568-N570 VanDerWaalsContact C-N 3.32Å; A568-N570 PolarHBondContact O-N 3.49Å; N570-N572 PolarHBondContact ND2-OD1 3.02Å; N570-N572 PolarHBondContact O-N 3.07Å
571	N	25.4	Very low	23.8	Very low	135 Å²	135	132.9 Å²	132.9	72%	0.722	78%	0.779	S	S	*	*			trans	-74.7	83.3	168.4	-75.3	-23.5	0	0	0	108.8	I569 I573	I569-N571 PolarHBondContact O-N 2.91Å; N571-I573 PolarHBondContact O-N 3.16Å; N571-I573 VanDerWaalsContact O-N 3.1Å
572	N	24.5	Very low	24	Very low	125 Å²	125	133.4 Å²	133.4	67%	0.668	78%	0.782	S	S	*	*			trans	-63.1	101.3	160.2	-84.8	-10.8	0	0	0	107.9	N570	N570-N572 PolarHBondContact ND2-OD1 3.02Å; N570-N572 PolarHBondContact O-N 3.07Å
573	I	26.5	Very low	24	Very low	158 Å²	158	134.1 Å²	134.1	81%	0.81	78%	0.78	S	S	*	*			trans	-95	106.3	159.7	-66.2	176.4	0	0	0	105.9	N571 N575	N571-I573 PolarHBondContact O-N 3.16Å; N571-I573 VanDerWaalsContact O-N 3.1Å; I573-N575 PolarHBondContact O-N 3.37Å
574	D	25.7	Very low	24.2	Very low	153 Å²	153	135 Å²	135	82%	0.818	78%	0.776	S	S	*	*			trans	-53.9	125.4	177.6	-94.7	-37.8	0	0	0	111.2	G576	D574-G576 PolarHBondContact O-N 3.4Å
575	N	23.2	Very low	24.3	Very low	177 Å²	177	135.7 Å²	135.7	95%	0.947	78%	0.782	S	S	*	*			trans	-84.4	86.3	174.4	-134	5.7	0	0	0	107.3	I573	I573-N575 PolarHBondContact O-N 3.37Å
576	G	23.3	Very low	24.4	Very low	54 Å²	54	136.7 Å²	136.7	56%	0.557	78%	0.776	S	S	*	*			trans	-156.8	94.1	-177.7	0	0	0	0	0	112.4	D574	D574-G576 PolarHBondContact O-N 3.4Å
577	N	27.3	Very low	24.4	Very low	165 Å²	165	139.6 Å²	139.6	88%	0.882	78%	0.777	S	S	*	*				173.9	122.5	117.5	-87.3	-27.5	0	0	0	111.5	C579	N577-C579 PolarHBondContact O-N 3.12Å
578	N	23.3	Very low	24.4	Very low	172 Å²	172	143.1 Å²	143.1	92%	0.92	78%	0.783	S	S	*	*			trans	-53.5	121.6	156.5	-70.2	-49.2	0	0	0	109.2
579	C	26	Very low	24.4	Very low	126 Å²	126	146.2 Å²	146.2	85%	0.851	78%	0.782	S	S	*	*			trans	-129.3	119.4	157.5	-146.9	0	0	0	0	108.7	N577	N577-C579 PolarHBondContact O-N 3.12Å
580	S	25.3	Very low	24.3	Very low	106 Å²	106	145.4 Å²	145.4	74%	0.741	79%	0.788	S	S	*	*			trans	-63.9	152	-173.6	17	0	0	0	0	113.8
581	Q	23.1	Very low	24.2	Very low	175 Å²	175	146 Å²	146	82%	0.818	79%	0.79	S	S	*	*			trans	-25.4	128.4	160.4	-72.3	162.9	-31.3	0	0	114.9
582	L	25.1	Very low	24.2	Very low	170 Å²	170	145.4 Å²	145.4	89%	0.89	79%	0.792	S	S	*	*			trans	-134.7	95.2	152.5	-102.5	153.4	0	0	0	107.2	E584	L582-E584 PolarHBondContact O-N 3.41Å
583	D	22.8	Very low	24.1	Very low	150 Å²	150	148.4 Å²	148.4	80%	0.802	80%	0.802	S	S	*	*			trans	-67.7	110.8	165.4	-76.6	-45.9	0	0	0	109.1
584	E	26.2	Very low	24.1	Very low	143 Å²	143	146.8 Å²	146.8	67%	0.668	80%	0.795	S	S	*	*			trans	-132.5	88.8	155	-90.4	-147.5	154.4	0	0	109.6	L582 K586	L582-E584 PolarHBondContact O-N 3.41Å; E584-K586 VanDerWaalsContact CD-NZ 3.35Å; E584-K586 PolarHBondContact O-N 3.2Å; E584-K586 IonicContact OE1-NZ 3.2Å; E584-K586 PolarHBondContact OE1-NZ 2.97Å; E584-K586 IonicContact OE2-NZ 3.68Å; E584-K586 PolarHBondContact OE2-NZ 3.46Å
585	A	25.1	Very low	24	Very low	106 Å²	106	145.9 Å²	145.9	88%	0.876	80%	0.795	S	S	*	*			trans	-74.4	92.7	164.8	0	0	0	0	0	109.8
586	K	25.1	Very low	24.1	Very low	143 Å²	143	146.7 Å²	146.7	62%	0.622	79%	0.791	S	S	*	*			trans	-98.1	90.9	164.2	-81.5	176.7	-179.7	131.4	0	110	E584 F588	E584-K586 VanDerWaalsContact CD-NZ 3.35Å; E584-K586 PolarHBondContact O-N 3.2Å; E584-K586 IonicContact OE1-NZ 3.2Å; E584-K586 PolarHBondContact OE1-NZ 2.97Å; E584-K586 IonicContact OE2-NZ 3.68Å; E584-K586 PolarHBondContact OE2-NZ 3.46Å; K586-F588 PolarHBondContact O-N 2.92Å; K586-F588 VanDerWaalsContact O-N 3.14Å
587	K	22.8	Very low	24.1	Very low	197 Å²	197	150.7 Å²	150.7	86%	0.857	80%	0.799	S	S	*	*			trans	-56.8	104.1	160.9	-117.1	177.3	177.1	177.9	0	108.1
588	F	22.2	Very low	24	Very low	196 Å²	196	147.6 Å²	147.6	86%	0.86	79%	0.786	S	S	*	*			trans	-101.4	103.5	163.8	-106.9	-88.6	0	0	0	108.6	K586 C590	K586-F588 PolarHBondContact O-N 2.92Å; K586-F588 VanDerWaalsContact O-N 3.14Å; F588-C590 PolarHBondContact O-N 3.18Å
589	Q	23.8	Very low	24	Very low	154 Å²	154	146.6 Å²	146.6	72%	0.72	78%	0.781	S	S	*	*			trans	-78.4	111.6	178.8	-164.1	153	-13.1	0	0	107.9	N591	Q589-N591 PolarHBondContact O-N 3.44Å; Q589-N591 VanDerWaalsContact O-N 3.12Å
590	C	20.1	Very low	24.1	Very low	127 Å²	127	147.1 Å²	147.1	86%	0.858	78%	0.78	S	S	*	*			trans	-76.1	94.2	177.2	-165.9	0	0	0	0	108.7	F588	F588-C590 PolarHBondContact O-N 3.18Å
591	N	21.7	Very low	24.1	Very low	133 Å²	133	150.8 Å²	150.8	71%	0.711	78%	0.783	S	S	*	*			trans	-138.5	102.2	165.7	-90.2	-8.4	0	0	0	107	Q589	Q589-N591 PolarHBondContact O-N 3.44Å; Q589-N591 VanDerWaalsContact O-N 3.12Å
592	T	25.1	Very low	24.2	Very low	124 Å²	124	152.2 Å²	152.2	76%	0.761	79%	0.787	S	S	*	*			trans	-158.3	99.7	156.6	-5.8	0	0	0	0	108.9	N594	T592-N594 PolarHBondContact O-N 3.26Å; T592-N594 VanDerWaalsContact O-N 3.12Å
593	E	23.1	Very low	24.1	Very low	187 Å²	187	149 Å²	149	87%	0.874	78%	0.779	S	S	*	*			trans	-54.5	104	155.6	-66.3	170.4	149	0	0	107.8
594	N	26.2	Very low	24.3	Very low	124 Å²	124	145.9 Å²	145.9	66%	0.663	77%	0.768	S	S	*	*			trans	-99.4	90.4	165.5	-86.8	-13.5	0	0	0	107.9	T592 F596	T592-N594 PolarHBondContact O-N 3.26Å; T592-N594 VanDerWaalsContact O-N 3.12Å; N594-F596 VanDerWaalsContact C-N 3.35Å; N594-F596 HydrophobicContact CB-CD2 4.33Å; N594-F596 PolarHBondContact O-N 2.96Å
595	T	23.6	Very low	24.1	Very low	134 Å²	134	147.7 Å²	147.7	82%	0.822	78%	0.782	S	S	*	*			trans	-54.2	96.8	152.9	33.3	0	0	0	0	108.8	D597	T595-D597 PolarHBondContact O-N 3.3Å
596	F	24.7	Very low	24.1	Very low	195 Å²	195	148.1 Å²	148.1	86%	0.855	77%	0.773	S	S	*	*			trans	-83	99	168.7	-107.8	-85.8	0	0	0	109.1	N594	N594-F596 VanDerWaalsContact C-N 3.35Å; N594-F596 HydrophobicContact CB-CD2 4.33Å; N594-F596 PolarHBondContact O-N 2.96Å
597	D	24.1	Very low	24.2	Very low	137 Å²	137	148 Å²	148	73%	0.733	78%	0.78	S	S	*	*			trans	-78.5	128	173	-147.3	11.5	0	0	0	109.6	T595	T595-D597 PolarHBondContact O-N 3.3Å
598	V	24.8	Very low	24.2	Very low	101 Å²	101	148 Å²	148	61%	0.612	78%	0.779	S	S	*	*	S	Bend	trans	63.3	115.8	137.5	171.3	0	0	0	0	119.9
599	N	24.1	Very low	24.3	Very low	151 Å²	151	144.4 Å²	144.4	81%	0.807	78%	0.776	S	S	*	*			trans	62.3	88.7	142.5	-66.5	-17.5	0	0	0	119.1
600	T	26.4	Very low	24.3	Very low	137 Å²	137	143.1 Å²	143.1	84%	0.84	78%	0.778	S	S	*	*			trans	-123.6	95.2	150.8	-0.6	0	0	0	0	110.9	F602	T600-F602 PolarHBondContact O-N 3.2Å
601	K	25.9	Very low	24.3	Very low	182 Å²	182	142.4 Å²	142.4	79%	0.791	77%	0.77	S	S	*	*			trans	25.2	93.7	144.8	-67.6	177.8	175.8	177.5	0	117.2
602	F	25.9	Very low	24.2	Very low	206 Å²	206	144.5 Å²	144.5	90%	0.904	78%	0.775	S	S	*	*			trans	-128.4	64.9	141.2	-101.4	-83.3	0	0	0	109.4	T600 S604	T600-F602 PolarHBondContact O-N 3.2Å; F602-S604 PolarHBondContact O-N 2.79Å
603	S	23	Very low	24.1	Very low	103 Å²	103	148.4 Å²	148.4	72%	0.72	78%	0.777	S	S	*	*			trans	-88.7	81.7	165.9	54.3	0	0	0	0	108.7
604	S	25.6	Very low	23.9	Very low	83 Å²	83	145 Å²	145	58%	0.58	77%	0.774	S	S	*	*			trans	-159.8	62.3	165.1	67.6	0	0	0	0	111.2	F602	F602-S604 PolarHBondContact O-N 2.79Å
605	L	23.5	Very low	23.7	Very low	182 Å²	182	142.8 Å²	142.8	95%	0.953	77%	0.768	S	S	*	*			trans	-171.3	67.1	156.1	-99.2	141.4	0	0	0	107.1
606	V	25.4	Very low	23.6	Very low	115 Å²	115	142 Å²	142	70%	0.697	77%	0.768	S	S	*	*			trans	-112.2	133.7	171.1	167.2	0	0	0	0	106.4
607	D	25.6	Very low	23.5	Very low	141 Å²	141	139.9 Å²	139.9	75%	0.754	77%	0.765	S	S	*	*			trans	74.6	91.1	159.8	-59.3	-20.2	0	0	0	120.4
608	K	22.6	Very low	23.4	Very low	196 Å²	196	138.5 Å²	138.5	85%	0.852	77%	0.766	S	S	*	*				-133.4	112.4	127.8	-78.3	-168.3	178.7	178.5	0	110.4
609	P	24.7	Very low	23.2	Very low	120 Å²	120	145 Å²	145	78%	0.779	78%	0.78	S	S	*	*			trans	-77.9	122.3	166.8	30.5	-28	0	0	0	108.4
610	V	24.2	Very low	23.1	Very low	127 Å²	127	143.7 Å²	143.7	77%	0.77	78%	0.777	S	S	*	*			trans	-112.4	118	168.9	-177.9	0	0	0	0	108.5
611	V	21	Very low	22.9	Very low	113 Å²	113	145.1 Å²	145.1	69%	0.685	78%	0.779	S	S	*	*			trans	-56.6	139.5	-173.9	173.7	0	0	0	0	112.1	Y613	V611-Y613 PolarHBondContact O-N 3.02Å
612	H	19.8	Very low	22.8	Very low	176 Å²	176	142.6 Å²	142.6	82%	0.815	78%	0.778	S	S	*	*			trans	-52.1	113	168.6	-80.4	-95.5	0	0	0	111.2	S614	H612-S614 PolarHBondContact O-N 3.4Å
613	Y	21.5	Very low	22.9	Very low	207 Å²	207	137 Å²	137	81%	0.812	77%	0.77	S	S	*	*			trans	-88.1	85.9	161	-74.6	-82.7	0	0	0	109	V611 S615	V611-Y613 PolarHBondContact O-N 3.02Å; Y613-S615 PolarHBondContact O-N 3.48Å
614	S	19.4	Very low	23.2	Very low	115 Å²	115	139.3 Å²	139.3	80%	0.804	77%	0.774	S	S	*	*			trans	-86.5	87.3	156.8	52.5	0	0	0	0	107.8	H612	H612-S614 PolarHBondContact O-N 3.4Å
615	S	21.5	Very low	23.2	Very low	77 Å²	77	139.3 Å²	139.3	54%	0.538	79%	0.788	S	S	.	*			trans	-128.3	98.2	165.2	67	0	0	0	0	109.3	Y613 L617	Y613-S615 PolarHBondContact O-N 3.48Å; S615-L617 PolarHBondContact O-N 3.19Å
616	S	21.3	Very low	23.5	Very low	119 Å²	119	140.1 Å²	140.1	83%	0.832	78%	0.783	S	S	*	*			trans	-47.1	95.9	155.8	46.2	0	0	0	0	110.4
617	L	23.3	Very low	23.3	Very low	150 Å²	150	140.3 Å²	140.3	79%	0.785	79%	0.79	S	S	*	*			trans	-107	85.3	164.8	-90.6	154.5	0	0	0	107.2	S615 R619	S615-L617 PolarHBondContact O-N 3.19Å; L617-R619 PolarHBondContact O-N 3.48Å
618	S	21.4	Very low	23.2	Very low	107 Å²	107	140.7 Å²	140.7	75%	0.748	79%	0.791	S	S	*	*			trans	-51.5	97.4	159.3	27	0	0	0	0	109.1	T620	S618-T620 PolarHBondContact O-N 3.41Å; S618-T620 VanDerWaalsContact O-N 3.15Å
619	R	21.8	Very low	23.1	Very low	239 Å²	239	136.3 Å²	136.3	90%	0.902	78%	0.783	S	S	*	*			trans	-74.8	101	164.2	-97.1	-174.3	-173.6	-134.4	1.4	108.2	L617 L621	L617-R619 PolarHBondContact O-N 3.48Å; R619-L621 PolarHBondContact O-N 3.32Å
620	T	22.1	Very low	23	Very low	122 Å²	122	140.9 Å²	140.9	75%	0.748	79%	0.786	S	S	*	*			trans	-55.6	99.5	164.1	-17.7	0	0	0	0	108.7	S618 V622	S618-T620 PolarHBondContact O-N 3.41Å; S618-T620 VanDerWaalsContact O-N 3.15Å; T620-V622 HydrophobicContact CG2-CG2 4.3Å; T620-V622 PolarHBondContact O-N 3.43Å
621	L	21.2	Very low	23	Very low	168 Å²	168	145 Å²	145	88%	0.88	79%	0.79	S	S	*	*			trans	-80.7	94.7	162	-82	167.3	0	0	0	107	R619 A623	R619-L621 PolarHBondContact O-N 3.32Å; L621-A623 PolarHBondContact O-N 3.04Å
622	V	24.1	Very low	23.1	Very low	128 Å²	128	148.1 Å²	148.1	78%	0.776	80%	0.797	S	S	*	*			trans	-73.3	102.2	166.1	178.5	0	0	0	0	106.4	T620	T620-V622 HydrophobicContact CG2-CG2 4.3Å; T620-V622 PolarHBondContact O-N 3.43Å
623	A	28	Very low	23.3	Very low	90 Å²	90	145 Å²	145	74%	0.744	79%	0.794	S	S	*	*			trans	-122.2	99.3	167.6	0	0	0	0	0	108	L621 G625	L621-A623 PolarHBondContact O-N 3.04Å; A623-G625 PolarHBondContact O-N 2.93Å
624	D	29.1	Very low	23.4	Very low	150 Å²	150	142.2 Å²	142.2	80%	0.802	79%	0.794	S	S	*	*			trans	29.6	83.9	154.2	-63.5	-21.8	0	0	0	118.2	K626	D624-K626 PolarHBondContact O-N 3.23Å
625	G	25.9	Very low	23.9	Very low	84 Å²	84	140.9 Å²	140.9	87%	0.866	78%	0.784	S	S	*	*				49.1	42	111.8	0	0	0	0	0	119	A623	A623-G625 PolarHBondContact O-N 2.93Å
626	K	28.8	Very low	24	Very low	198 Å²	198	145.2 Å²	145.2	86%	0.861	80%	0.801	S	S	*	*			trans	-131.6	96.9	161	-72.8	-170.2	-180	178.2	0	111.1	D624 L628	D624-K626 PolarHBondContact O-N 3.23Å; K626-L628 PolarHBondContact O-N 2.94Å
627	S	22	Very low	24.3	Very low	120 Å²	120	144.5 Å²	144.5	84%	0.839	80%	0.795	S	S	*	*			trans	-59.9	114.9	166.2	53.1	0	0	0	0	110.4
628	L	22.7	Very low	24.4	Very low	148 Å²	148	144.3 Å²	144.3	78%	0.775	79%	0.794	S	S	*	*			trans	-109.1	119.2	160.8	-138.2	83.2	0	0	0	107.6	K626 Y630	K626-L628 PolarHBondContact O-N 2.94Å; L628-Y630 PolarHBondContact O-N 3.33Å
629	P	22.4	Very low	24.6	Very low	105 Å²	105	147.2 Å²	147.2	68%	0.682	80%	0.801	S	S	*	*			trans	-77.9	110.3	-178.4	30.2	-29.5	0	0	0	108.7
630	Y	21.9	Very low	24.7	Very low	215 Å²	215	142.4 Å²	142.4	84%	0.843	79%	0.794	S	S	*	*			trans	-98.4	113.3	166.8	-121.5	-91.5	0	0	0	108.4	L628 E632	L628-Y630 PolarHBondContact O-N 3.33Å; Y630-E632 PolarHBondContact O-N 3.36Å
631	Y	24.5	Very low	25	Very low	215 Å²	215	142.2 Å²	142.2	84%	0.843	79%	0.794	S	S	*	*			trans	-62.7	120.1	177.3	-85.2	-96.7	0	0	0	110.2	S633	Y631-S633 PolarHBondContact O-N 2.87Å
632	E	22.3	Very low	25.2	Very low	178 Å²	178	140 Å²	140	83%	0.832	79%	0.787	S	S	*	*			trans	-67.5	100.9	161	-77.9	178.6	153.1	0	0	108.7	Y630 N634	Y630-E632 PolarHBondContact O-N 3.36Å; E632-N634 PolarHBondContact O-N 2.71Å
633	S	24.8	Very low	25.4	Very low	109 Å²	109	143.5 Å²	143.5	76%	0.762	79%	0.792	S	S	*	*			trans	-89	89.8	161.1	58.8	0	0	0	0	108.6	Y631 S635	Y631-S633 PolarHBondContact O-N 2.87Å; S633-S635 PolarHBondContact O-N 3.14Å
634	N	24.1	Very low	25.3	Very low	150 Å²	150	145.8 Å²	145.8	80%	0.802	79%	0.79	S	S	*	*			trans	-62.8	111.6	157.9	-83.9	-28.7	0	0	0	108.5	E632	E632-N634 PolarHBondContact O-N 2.71Å
635	S	27.9	Very low	25.4	Very low	87 Å²	87	142.2 Å²	142.2	61%	0.608	78%	0.777	S	S	*	*			trans	-145.7	95.2	156.9	61	0	0	0	0	109.1	S633 C637	S633-S635 PolarHBondContact O-N 3.14Å; S635-C637 PolarHBondContact O-N 3.43Å
636	D	25.5	Very low	25.8	Very low	167 Å²	167	144.2 Å²	144.2	89%	0.893	77%	0.768	S	S	*	*			trans	-50.5	89.8	154.5	-73.8	-49	0	0	0	109.2
637	C	26.8	Very low	26.2	Very low	104 Å²	104	139.9 Å²	139.9	70%	0.703	75%	0.754	S	S	*	*			trans	-108.4	84.3	167.8	-74	0	0	0	0	107.8	S635	S635-C637 PolarHBondContact O-N 3.43Å
638	L	25.6	Very low	26.8	Very low	147 Å²	147	141.3 Å²	141.3	77%	0.77	75%	0.748	S	S	*	*			trans	51.4	100.6	135.3	-68.1	159.5	0	0	0	115.9	N640	L638-N640 VanDerWaalsContact C-N 3.31Å; L638-N640 PolarHBondContact O-N 2.97Å
639	N	25	Very low	27.5	Very low	168 Å²	168	142.9 Å²	142.9	90%	0.898	74%	0.743	S	S	*	*				-9.6	90.5	122.5	-75.6	-30.1	0	0	0	112.6
640	N	24.2	Very low	28.3	Very low	138 Å²	138	144.8 Å²	144.8	74%	0.738	74%	0.743	S	S	*	*			trans	-126	110.9	160.2	-133.3	-7.1	0	0	0	106.5	L638 V642	L638-N640 VanDerWaalsContact C-N 3.31Å; L638-N640 PolarHBondContact O-N 2.97Å; N640-V642 PolarHBondContact O-N 3.42Å
641	P	27.5	Very low	29	Very low	117 Å²	117	138.6 Å²	138.6	76%	0.76	73%	0.728	S	S	*	*			trans	-67.6	100	179.2	28.1	-31.6	0	0	0	107.3	K643	P641-K643 PolarHBondContact O-N 2.84Å
642	V	26.3	Very low	29.6	Very low	121 Å²	121	134 Å²	134	73%	0.733	72%	0.718	S	S	*	*			trans	-62.7	110.8	173.1	176.6	0	0	0	0	106.5	N640 I644	N640-V642 PolarHBondContact O-N 3.42Å; V642-I644 VanDerWaalsContact C-N 3.3Å; V642-I644 PolarHBondContact O-N 3.34Å
643	K	27.7	Very low	30.4	Very low	203 Å²	203	128 Å²	128	88%	0.883	70%	0.699	S	S	*	*			trans	-56.4	97.3	164.7	-77.8	176.9	174.2	176.7	0	107	P641 S645	P641-K643 PolarHBondContact O-N 2.84Å; K643-S645 PolarHBondContact O-N 2.84Å
644	I	27.5	Very low	30.7	Very low	137 Å²	137	128.5 Å²	128.5	70%	0.703	69%	0.692	S	S	*	*			trans	-66.3	110.2	171.4	-64.1	170.6	0	0	0	105.5	V642	V642-I644 VanDerWaalsContact C-N 3.3Å; V642-I644 PolarHBondContact O-N 3.34Å
645	S	30.3	Very low	31.1	Very low	76 Å²	76	126.7 Å²	126.7	53%	0.531	68%	0.682	S	S	.	*			trans	-61.9	152.4	174.6	53.6	0	0	0	0	109.6	K643 D647	K643-S645 PolarHBondContact O-N 2.84Å; S645-D647 PolarHBondContact O-N 3.48Å; S645-D647 PolarHBondContact OG-OD2 3.18Å
646	N	34.2	Very low	31.5	Very low	125 Å²	125	126.4 Å²	126.4	67%	0.668	68%	0.679	S	S	*	*	S	Bend	trans	-61.3	26.5	-172.2	-97.5	-31.8	0	0	0	116.5	E648	N646-E648 VanDerWaalsContact C-N 3.33Å; N646-E648 PolarHBondContact O-N 3.45Å
647	D	37.6	Very low	31.9	Very low	107 Å²	107	125.6 Å²	125.6	57%	0.572	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	-3.7	-172.2	-57.4	-41	0	0	0	113.2	S645 R649 E650	S645-D647 PolarHBondContact O-N 3.48Å; S645-D647 PolarHBondContact OG-OD2 3.18Å; D647-R649 PolarHBondContact O-N 3.41Å; D647-E650 PolarHBondContact O-N 3.29Å
648	E	34.4	Very low	32	Very low	150 Å²	150	127.7 Å²	127.7	70%	0.701	68%	0.676	S	S	*	*	H	α-helix	trans	-68.5	-13.9	172	-72.2	-171.4	160.5	0	0	113.5	N646 E650 V651	N646-E648 VanDerWaalsContact C-N 3.33Å; N646-E648 PolarHBondContact O-N 3.45Å; E648-E650 VanDerWaalsContact C-N 3.34Å; E648-E650 PolarHBondContact O-N 2.71Å; E648-V651 PolarHBondContact O-N 3.34Å
649	R	38	Very low	32.1	Very low	181 Å²	181	128.2 Å²	128.2	68%	0.683	67%	0.674	S	S	*	*	H	α-helix	trans	-76.6	-15.6	174.9	-80.3	-168.4	-73.1	-157	-4.3	114.6	D647	D647-R649 PolarHBondContact O-N 3.41Å
650	E	38.4	Very low	32.2	Very low	146 Å²	146	125.4 Å²	125.4	68%	0.682	67%	0.665	S	S	*	*	H	α-helix	trans	-81.9	-24.2	173	-91.2	-171.1	158	0	0	113	D647 E648 A653 L654	D647-E650 PolarHBondContact O-N 3.29Å; E648-E650 VanDerWaalsContact C-N 3.34Å; E648-E650 PolarHBondContact O-N 2.71Å; E650-A653 PolarHBondContact O-N 2.55Å; E650-L654 WeakPolarHBondContact O-CG 3.36Å; E650-L654 PolarHBondContact O-N 2.71Å
651	V	36.9	Very low	32.3	Very low	85 Å²	85	127.9 Å²	127.9	52%	0.515	67%	0.669	S	S	.	*	H	α-helix	trans	-72.7	-38.2	179.2	-176.6	0	0	0	0	111.2	E648 A653 L654 L655	E648-V651 PolarHBondContact O-N 3.34Å; V651-A653 VanDerWaalsContact C-N 3.33Å; V651-A653 PolarHBondContact O-N 3.19Å; V651-L654 PolarHBondContact O-N 3.18Å; V651-L655 HydrophobicContact CG1-CD1 4.09Å; V651-L655 PolarHBondContact O-N 2.94Å
652	D	35.9	Very low	32.2	Very low	119 Å²	119	129.5 Å²	129.5	64%	0.636	67%	0.67	S	S	*	*	H	α-helix	trans	-66.9	-34.6	173.7	-82.9	-15.6	0	0	0	112.2	L655 S656	D652-L655 PolarHBondContact O-N 2.61Å; D652-S656 PolarHBondContact O-N 2.75Å; D652-S656 VanDerWaalsContact O-N 3.11Å
653	A	39.4	Very low	32.2	Very low	52 Å²	52	128.7 Å²	128.7	43%	0.43	67%	0.665	S	S	.	*	H	α-helix	trans	-66.2	-40.8	174.3	0	0	0	0	0	111.7	E650 V651 S656 L657	E650-A653 PolarHBondContact O-N 2.55Å; V651-A653 VanDerWaalsContact C-N 3.33Å; V651-A653 PolarHBondContact O-N 3.19Å; A653-S656 PolarHBondContact O-N 2.78Å; A653-S656 PolarHBondContact O-OG 3.03Å; A653-L657 PolarHBondContact O-N 3.03Å
654	L	32.7	Very low	32	Very low	118 Å²	118	125.4 Å²	125.4	62%	0.618	65%	0.653	S	S	*	*	H	α-helix	trans	-70.3	-34.9	177.3	-75.1	169.1	0	0	0	112.8	E650 V651 L657 M658	E650-L654 WeakPolarHBondContact O-CG 3.36Å; E650-L654 PolarHBondContact O-N 2.71Å; V651-L654 PolarHBondContact O-N 3.18Å; L654-L657 PolarHBondContact O-N 3.09Å; L654-M658 PolarHBondContact O-N 3.28Å
655	L	32.4	Very low	31.8	Very low	113 Å²	113	127.4 Å²	127.4	59%	0.592	66%	0.656	S	S	*	*	H	α-helix	trans	-66.7	-35.5	174.5	-88.2	155.4	0	0	0	112.4	V651 D652 L657 M658	V651-L655 HydrophobicContact CG1-CD1 4.09Å; V651-L655 PolarHBondContact O-N 2.94Å; D652-L655 PolarHBondContact O-N 2.61Å; L655-L657 VanDerWaalsContact C-N 3.27Å; L655-L657 PolarHBondContact O-N 3.02Å; L655-M658 PolarHBondContact O-N 2.71Å; L655-M658 VanDerWaalsContact O-N 3.14Å
656	S	35.8	Very low	31.5	Very low	80 Å²	80	128.8 Å²	128.8	56%	0.559	67%	0.666	S	S	*	*	H	α-helix	trans	-69	-23.5	174.6	71.2	0	0	0	0	113.7	D652 A653 M658	D652-S656 PolarHBondContact O-N 2.75Å; D652-S656 VanDerWaalsContact O-N 3.11Å; A653-S656 PolarHBondContact O-N 2.78Å; A653-S656 PolarHBondContact O-OG 3.03Å; S656-M658 VanDerWaalsContact C-N 3.29Å
657	L	34.4	Very low	31.1	Very low	150 Å²	150	129.6 Å²	129.6	79%	0.785	67%	0.669	S	S	*	*	H	α-helix	trans	-77.5	-16.5	172.7	-125.5	95.8	0	0	0	113.2	A653 L654 L655	A653-L657 PolarHBondContact O-N 3.03Å; L654-L657 PolarHBondContact O-N 3.09Å; L655-L657 VanDerWaalsContact C-N 3.27Å; L655-L657 PolarHBondContact O-N 3.02Å
658	M	28.3	Very low	30.5	Very low	148 Å²	148	129.6 Å²	129.6	73%	0.729	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.1	12.5	-179.1	-64.9	-135.8	77.3	0	0	113.5	L654 L655 S656 P660	L654-M658 PolarHBondContact O-N 3.28Å; L655-M658 PolarHBondContact O-N 2.71Å; L655-M658 VanDerWaalsContact O-N 3.14Å; S656-M658 VanDerWaalsContact C-N 3.29Å; M658-P660 WeakPolarHBondContact O-CD 2.9Å
659	E	26.9	Very low	30.3	Very low	159 Å²	159	129.1 Å²	129.1	74%	0.743	67%	0.671	S	S	*	*			trans	-53.4	114.4	166.9	-81.6	-166.3	169.1	0	0	108.1	K661	E659-K661 PolarHBondContact O-N 3.5Å
660	P	26.8	Very low	29.9	Very low	109 Å²	109	124.8 Å²	124.8	71%	0.708	67%	0.668	S	S	*	*			trans	-65.5	106.5	-177.7	24.8	-29.5	0	0	0	105.3	M658 I662	M658-P660 WeakPolarHBondContact O-CD 2.9Å; P660-I662 PolarHBondContact O-N 2.69Å
661	K	26.7	Very low	29.4	Very low	190 Å²	190	122 Å²	122	83%	0.826	66%	0.662	S	S	*	*			trans	-49.1	106	155.7	-85.6	-177.7	177.1	174	0	103.8	E659 V663	E659-K661 PolarHBondContact O-N 3.5Å; K661-V663 HydrophobicContact CB-CG2 4.09Å; K661-V663 PolarHBondContact O-N 2.99Å
662	I	26.3	Very low	29.2	Very low	151 Å²	151	119 Å²	119	77%	0.774	64%	0.644	S	S	*	*			trans	-64.8	78.3	162.8	-59.2	171.6	0	0	0	103.1	P660 Q664	P660-I662 PolarHBondContact O-N 2.69Å; I662-Q664 HydrophobicContact CG2-CG 4.48Å; I662-Q664 PolarHBondContact O-N 3.11Å
663	V	25.2	Very low	29.6	Very low	104 Å²	104	119.9 Å²	119.9	63%	0.63	64%	0.638	S	S	*	*			trans	-62.3	94.8	156.9	-177.9	0	0	0	0	100.5	K661 K665	K661-V663 HydrophobicContact CB-CG2 4.09Å; K661-V663 PolarHBondContact O-N 2.99Å; V663-K665 PolarHBondContact O-N 3.34Å
664	Q	23.6	Very low	29.2	Very low	134 Å²	134	119 Å²	119	63%	0.626	62%	0.624	S	S	*	*			trans	-51.1	92.8	151.1	-85.1	-176.1	-47.9	0	0	103.3	I662 S666	I662-Q664 HydrophobicContact CG2-CG 4.48Å; I662-Q664 PolarHBondContact O-N 3.11Å; Q664-S666 PolarHBondContact O-N 3.35Å
665	K	23.3	Very low	29	Very low	178 Å²	178	118.2 Å²	118.2	77%	0.774	63%	0.628	S	S	*	*			trans	-49.4	117.6	164.7	-96.2	-178.4	172.2	178.3	0	102.7	V663 I667	V663-K665 PolarHBondContact O-N 3.34Å; K665-I667 PolarHBondContact O-N 3.43Å
666	S	24.5	Very low	28.8	Very low	105 Å²	105	118.2 Å²	118.2	73%	0.734	63%	0.632	S	S	*	*			trans	-43.6	117.3	163.7	44.4	0	0	0	0	105.4	Q664 P668	Q664-S666 PolarHBondContact O-N 3.35Å; S666-P668 WeakPolarHBondContact O-CD 3.24Å
667	I	25.4	Very low	28.4	Very low	142 Å²	142	120.9 Å²	120.9	73%	0.728	64%	0.639	S	S	*	*			trans	-47.3	117.3	176.5	-64.8	167.7	0	0	0	105.1	K665 F669	K665-I667 PolarHBondContact O-N 3.43Å; I667-F669 PolarHBondContact O-N 3.19Å
668	P	25.9	Very low	28.2	Very low	107 Å²	107	118.7 Å²	118.7	70%	0.695	63%	0.634	S	S	*	*			trans	-58.4	132.3	-176.1	21	-29	0	0	0	107.6	S666 S670	S666-P668 WeakPolarHBondContact O-CD 3.24Å; P668-S670 PolarHBondContact O-N 3.34Å
669	F	30.5	Very low	28.1	Very low	141 Å²	141	119.9 Å²	119.9	62%	0.618	64%	0.643	S	S	*	*			trans	-36.6	125	167.9	-86.1	-101	0	0	0	109.4	I667 P671	I667-F669 PolarHBondContact O-N 3.19Å; F669-P671 WeakPolarHBondContact O-CD 3.49Å
670	S	28.5	Very low	28.2	Very low	90 Å²	90	120 Å²	120	63%	0.629	64%	0.644	S	S	*	*			trans	-74.5	112.3	138.9	-66.1	0	0	0	0	103.7	P668 L672	P668-S670 PolarHBondContact O-N 3.34Å; S670-L672 PolarHBondContact O-N 3.3Å
671	P	28.6	Very low	28.4	Very low	86 Å²	86	120.9 Å²	120.9	56%	0.558	65%	0.647	S	S	*	*			trans	-50.9	133.7	171.3	-15.4	26.2	0	0	0	106.6	F669 R673	F669-P671 WeakPolarHBondContact O-CD 3.49Å; P671-R673 WeakPolarHBondContact O-CG 3.12Å; P671-R673 PolarHBondContact O-N 2.98Å
672	L	32	Very low	28.3	Very low	24 Å²	24	119.8 Å²	119.8	13%	0.126	65%	0.645	C	S	.	*			trans	-52.7	111.9	166.9	-68.3	147.6	0	0	0	105.3	V115 F120 I161 M165 S670 Y674	V115-L672 HydrophobicContact CB-CD1 4.17Å; V115-L672 HydrophobicContact CG1-CD1 4.07Å; V115-L672 HydrophobicContact CG2-CD1 3.04Å; V115-L672 HydrophobicContact CG2-CG 4.47Å; F120-L672 HydrophobicContact CB-CB 4.3Å; F120-L672 HydrophobicContact CB-CD1 4.35Å; F120-L672 HydrophobicContact CD1-CB 4.27Å; F120-L672 HydrophobicContact CD1-CD1 4.11Å; F120-L672 HydrophobicContact CD2-CD1 4.18Å; F120-L672 HydrophobicContact CE1-CD1 4.5Å; F120-L672 HydrophobicContact CG-CB 4.41Å; F120-L672 HydrophobicContact CG-CD1 3.93Å; I161-L672 HydrophobicContact CG2-CD2 3.96Å; M165-L672 HydrophobicContact SD-CD2 3.69Å; S670-L672 PolarHBondContact O-N 3.3Å; L672-Y674 PolarHBondContact O-N 3.37Å
673	R	44.1	Very low	28.3	Very low	137 Å²	137	118.4 Å²	118.4	52%	0.517	64%	0.638	S	S	.	*	S	Bend	trans	-80.7	73.8	-160.2	-72.4	-166.7	179.1	149.7	-4.7	110.4	P671	P671-R673 WeakPolarHBondContact O-CG 3.12Å; P671-R673 PolarHBondContact O-N 2.98Å
674	Y	32.4	Very low	28.3	Very low	34 Å²	34	120.1 Å²	120.1	13%	0.133	64%	0.643	C	S	.	*	S	Bend	trans	-116.2	144.6	158.3	-65.8	-81.7	0	0	0	107.5	F120 V121 M165 L672 V676	F120-Y674 WeakPolarHBondContact O-CB 3.36Å; F120-Y674 WeakPolarHBondContact O-CD2 3.35Å; V121-Y674 HydrophobicContact CB-CD2 4.35Å; V121-Y674 HydrophobicContact CB-CE1 4.48Å; V121-Y674 HydrophobicContact CB-CE2 4.1Å; V121-Y674 HydrophobicContact CG1-CD1 4.23Å; V121-Y674 HydrophobicContact CG1-CE1 3.71Å; V121-Y674 HydrophobicContact CG1-CE2 4.07Å; V121-Y674 HydrophobicContact CG2-CD2 3.62Å; V121-Y674 HydrophobicContact CG2-CE1 4.39Å; V121-Y674 HydrophobicContact CG2-CE2 3.21Å; V121-Y674 HydrophobicContact CG2-CG 4.36Å; M165-Y674 HydrophobicContact CE-CE2 3.83Å; L672-Y674 PolarHBondContact O-N 3.37Å; Y674-V676 PolarHBondContact O-N 3.05Å
675	S	26.6	Very low	28.5	Very low	100 Å²	100	124.8 Å²	124.8	70%	0.699	66%	0.655	S	S	*	*			trans	-65.2	111.5	169.8	41.1	0	0	0	0	109.3
676	V	28.1	Very low	28.7	Very low	113 Å²	113	124.6 Å²	124.6	69%	0.685	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-74.4	122.1	165.2	179.7	0	0	0	0	107.2	Y674	Y674-V676 PolarHBondContact O-N 3.05Å
677	I	29.2	Very low	28.8	Very low	137 Å²	137	125.4 Å²	125.4	70%	0.703	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-80.9	133.9	168.2	-60.3	176.6	0	0	0	107.2	D679	I677-D679 PolarHBondContact O-N 3.02Å
678	P	28.5	Very low	28.9	Very low	104 Å²	104	121.5 Å²	121.5	68%	0.675	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-60.9	133.9	174.7	-17.2	29.8	0	0	0	110.9	E680	P678-E680 VanDerWaalsContact C-N 3.32Å; P678-E680 PolarHBondContact O-N 3.16Å
679	D	27.2	Very low	29	Very low	172 Å²	172	124.7 Å²	124.7	92%	0.92	67%	0.673	S	S	*	*			trans	-62.5	89.4	167.4	-82.6	-34.3	0	0	0	109.5	I677	I677-D679 PolarHBondContact O-N 3.02Å
680	E	29.8	Very low	28.9	Very low	163 Å²	163	123.4 Å²	123.4	76%	0.762	68%	0.681	S	S	*	*			trans	-136.9	120.5	165.7	-78	-165.2	168.4	0	0	112.6	P678	P678-E680 VanDerWaalsContact C-N 3.32Å; P678-E680 PolarHBondContact O-N 3.16Å
681	T	29.8	Very low	28.8	Very low	126 Å²	126	126.9 Å²	126.9	77%	0.773	69%	0.692	S	S	*	*			trans	77.5	92.7	143.7	58.3	0	0	0	0	119.9
682	E	25.8	Very low	28.8	Very low	168 Å²	168	131.7 Å²	131.7	79%	0.785	71%	0.707	S	S	*	*				32.2	122.8	115.2	-82.9	-169.4	151.5	0	0	120.9
683	I	25.4	Very low	28.5	Very low	122 Å²	122	139.1 Å²	139.1	63%	0.626	74%	0.741	S	S	*	*				86.3	107.9	126.3	-63	169.7	0	0	0	118.5
684	N	25.3	Very low	27.8	Very low	139 Å²	139	137.9 Å²	137.9	74%	0.743	75%	0.753	S	S	*	*			trans	48.7	110.4	138.3	-64.5	-30.3	0	0	0	119
685	R	27.2	Very low	27.5	Very low	233 Å²	233	142.4 Å²	142.4	88%	0.879	78%	0.784	S	S	*	*				155.3	114	118.8	-86.4	168.3	-176.6	-174	2.9	108
686	L	29	Very low	27.7	Very low	174 Å²	174	145.2 Å²	145.2	91%	0.911	79%	0.792	S	S	*	*			trans	-168.3	60.4	146.5	-98.3	155.2	0	0	0	108
687	S	25.2	Very low	27.7	Very low	121 Å²	121	149.1 Å²	149.1	85%	0.846	80%	0.803	S	S	*	*			trans	-80.1	112.4	157.1	52.4	0	0	0	0	107.6
688	G	27.1	Very low	27.8	Very low	61 Å²	61	146.2 Å²	146.2	63%	0.629	81%	0.806	S	S	*	*			trans	141.6	67.4	168	0	0	0	0	0	114.7
689	L	29.1	Very low	27.7	Very low	174 Å²	174	147.8 Å²	147.8	91%	0.911	81%	0.814	S	S	*	*			trans	-130.8	98.6	150.8	-79.7	172.3	0	0	0	107.6
690	S	28.1	Very low	27.9	Very low	114 Å²	114	147.9 Å²	147.9	80%	0.797	81%	0.809	S	S	*	*			trans	-68.5	134.1	175.2	-50.4	0	0	0	0	109.7	E692	S690-E692 PolarHBondContact O-N 2.95Å
691	L	26.3	Very low	27.7	Very low	162 Å²	162	146.3 Å²	146.3	85%	0.848	81%	0.811	S	S	*	*			trans	-54.3	112	167.9	-117.3	70.5	0	0	0	110.1
692	E	29.2	Very low	27.8	Very low	187 Å²	187	147.2 Å²	147.2	87%	0.874	81%	0.811	S	S	*	*			trans	-94.9	114.8	157.3	-81.1	-170.9	162.9	0	0	108.4	S690 S694	S690-E692 PolarHBondContact O-N 2.95Å; E692-S694 PolarHBondContact O-N 3.14Å
693	Q	26	Very low	27.9	Very low	181 Å²	181	142.6 Å²	142.6	85%	0.846	81%	0.808	S	S	*	*			trans	-74.4	111	168.8	-72	173.3	-42	0	0	108.3
694	S	28.7	Very low	28	Very low	110 Å²	110	149.5 Å²	149.5	77%	0.769	83%	0.827	S	S	*	*			trans	-108.1	100.2	161.8	61.6	0	0	0	0	108.8	E692	E692-S694 PolarHBondContact O-N 3.14Å
695	T	26.1	Very low	28.1	Very low	129 Å²	129	151.3 Å²	151.3	79%	0.791	83%	0.831	S	S	*	*			trans	-71.4	113.7	161.1	45.6	0	0	0	0	108.4
696	D	30.8	Very low	28.2	Very low	159 Å²	159	147.8 Å²	147.8	85%	0.85	83%	0.829	S	S	*	*			trans	-129.5	101.1	159.7	-99.1	-25.2	0	0	0	108.5	G698	D696-G698 PolarHBondContact O-N 3.29Å
697	E	27.6	Very low	28.3	Very low	196 Å²	196	143.5 Å²	143.5	92%	0.916	82%	0.819	S	S	*	*			trans	-73.3	109.2	161.2	-73.3	-177.8	151.9	0	0	107.8
698	G	31	Very low	28.5	Very low	76 Å²	76	150.1 Å²	150.1	78%	0.784	83%	0.826	S	S	*	*			trans	-129.4	89	172.9	0	0	0	0	0	109.7	D696	D696-G698 PolarHBondContact O-N 3.29Å
699	T	27	Very low	28.6	Very low	137 Å²	137	154.2 Å²	154.2	84%	0.84	83%	0.833	S	S	*	*			trans	-75.4	113.6	170.6	-9.1	0	0	0	0	108.1
700	E	31	Very low	28.7	Very low	174 Å²	174	151.6 Å²	151.6	81%	0.813	83%	0.825	S	S	*	*			trans	-148.6	104.9	158	-114.9	177.6	-156.7	0	0	110.9
701	T	26.4	Very low	29.1	Very low	129 Å²	129	154.1 Å²	154.1	79%	0.791	83%	0.829	S	S	*	*			trans	-67.6	118.6	164.7	46.9	0	0	0	0	109.5
702	N	32.3	Very low	29.5	Very low	145 Å²	145	156.4 Å²	156.4	78%	0.775	85%	0.85	S	S	*	*			trans	-142.5	106.1	157.1	-84.6	-42.5	0	0	0	107.8
703	G	27	Very low	29.5	Very low	71 Å²	71	154.9 Å²	154.9	73%	0.732	85%	0.849	S	S	*	*			trans	-70.8	142.3	-178.4	0	0	0	0	0	111.8
704	W	26.9	Very low	29.7	Very low	268 Å²	268	153.5 Å²	153.5	100%	1.015	85%	0.849	S	S	*	*			trans	-118.8	92.7	148.5	-82.5	9.1	0	0	0	106.1
705	E	28	Very low	29.7	Very low	176 Å²	176	155.9 Å²	155.9	82%	0.822	85%	0.853	S	S	*	*			trans	-76	160.7	151	-77.9	176.4	150	0	0	108.6
706	D	29.8	Very low	30	Very low	159 Å²	159	157.5 Å²	157.5	85%	0.85	86%	0.857	S	S	*	*			trans	78	94.7	167.7	-58.2	-20	0	0	0	118.4
707	A	29.9	Very low	29.9	Very low	85 Å²	85	157.4 Å²	157.4	70%	0.702	86%	0.857	S	S	*	*				-173	173.5	106.4	0	0	0	0	0	108.6
708	W	29.4	Very low	30.1	Very low	259 Å²	259	154.8 Å²	154.8	98%	0.981	85%	0.854	S	S	*	*			trans	92.8	56.2	179.3	-53.4	58.8	0	0	0	112.7
709	D	29.7	Very low	30	Very low	147 Å²	147	160.4 Å²	160.4	79%	0.786	86%	0.859	S	S	*	*			trans	-93.5	142.6	153.6	-139	-8.5	0	0	0	108.7
710	T	30.9	Very low	30.2	Very low	119 Å²	119	162.2 Å²	162.2	73%	0.73	86%	0.86	S	S	*	*			trans	65.2	103.8	160.2	61	0	0	0	0	120.2
711	D	37	Very low	30.2	Very low	168 Å²	168	161.3 Å²	161.3	90%	0.898	86%	0.864	S	S	*	*				-144.5	139.9	123.8	-106.1	-22.6	0	0	0	109.5
712	T	34.6	Very low	30.5	Very low	209 Å²	209	164.2 Å²	164.2	100%	1.282	87%	0.871	S	S	*	*			trans	-54	0	-173	45.9	0	0	0	0	117.8

Retrieved 712 of 712 residues in 411 ms (Link to these results)

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