G4V6S2_SCHMA Loading...

Acyltransferase

AlphaFold DB , UniProt , Accession G4V6S2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 263 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	47.5	Very low	49.8	Very low	81 Å²	81	61.4 Å²	61.4	40%	0.399	33%	0.327	S	S	.	.				0	114.6	0	-178.5	172.6	174.8	0	0	103.9	T49 I53 L168 P205 V210	M1-T49 HydrophobicContact CE-CG2 3.7Å; M1-T49 HydrophobicContact SD-CG2 3.96Å; M1-I53 HydrophobicContact CE-CD1 3.84Å; M1-I53 HydrophobicContact CG-CD1 4.5Å; M1-I53 HydrophobicContact SD-CD1 3.57Å; M1-I53 VanDerWaalsContact SD-CD1 3.57Å; M1-L168 HydrophobicContact CE-CD1 3.3Å; M1-L168 HydrophobicContact CE-CD2 3.49Å; M1-L168 VanDerWaalsContact CE-CD2 3.49Å; M1-L168 HydrophobicContact CE-CG 4Å; M1-L168 HydrophobicContact SD-CD1 4.48Å; M1-L168 HydrophobicContact SD-CD2 4.09Å; M1-P205 HydrophobicContact SD-CG 4.31Å; M1-V210 HydrophobicContact CE-CB 4.16Å; M1-V210 HydrophobicContact CE-CG2 3.4Å; M1-V210 VanDerWaalsContact CE-CG2 3.4Å
2	N	43.2	Very low	48.3	Very low	128 Å²	128	68.3 Å²	68.3	68%	0.684	37%	0.365	S	S	*	.			trans	-90.8	111.8	178.2	-67.5	0.9	0	0	0	105.4	P209 V210	N2-P209 WeakPolarHBondContact O-CA 3.22Å; N2-V210 PolarHBondContact O-N 3.4Å
3	S	48.7	Very low	46.9	Very low	19 Å²	19	76.5 Å²	76.5	13%	0.133	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	139.7	173.7	-173.7	0	0	0	0	108	N54 T60 V210	S3-N54 PolarHBondContact OG-ND2 3.4Å; S3-N54 VanDerWaalsContact OG-ND2 3.12Å; S3-N54 PolarHBondContact OG-OD1 3.22Å; S3-T60 VanDerWaalsContact CB-CG2 3.49Å; S3-T60 WeakPolarHBondContact O-CG2 3.4Å; S3-V210 WeakPolarHBondContact CA-O 3.04Å
4	I	59.2	Low	45.7	Very low	75 Å²	75	81 Å²	81	39%	0.385	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	137.8	175.2	-57.4	-179.9	0	0	0	108	N6 V210 Y211 T212	I4-N6 WeakPolarHBondContact CG2-OD1 3.07Å; I4-V210 PolarHBondContact N-O 3.29Å; I4-V210 VanDerWaalsContact N-O 3.12Å; I4-Y211 HydrophobicContact CB-CD1 4.27Å; I4-Y211 HydrophobicContact CD1-CD1 4.17Å; I4-Y211 HydrophobicContact CD1-CE1 3.96Å; I4-Y211 HydrophobicContact CG1-CD1 4.4Å; I4-Y211 HydrophobicContact CG1-CE1 4.49Å; I4-T212 PolarHBondContact O-N 3.3Å
5	I	64.1	Low	44.8	Very low	5 Å²	5	90.8 Å²	90.8	3%	0.026	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	118.9	168.5	-56.7	173.2	0	0	0	108	N54 T60 F62 F66 T212 V214	I5-N54 HydrophobicContact CD1-CB 3.41Å; I5-N54 VanDerWaalsContact CD1-CB 3.41Å; I5-N54 WeakPolarHBondContact CD1-O 3.33Å; I5-N54 HydrophobicContact CG1-CB 3.59Å; I5-N54 WeakPolarHBondContact CG1-OD1 3.29Å; I5-T60 WeakPolarHBondContact CD1-OG1 3.28Å; I5-T60 WeakPolarHBondContact CG1-OG1 3.38Å; I5-F62 HydrophobicContact CD1-CD2 4.47Å; I5-F66 HydrophobicContact CG2-CE2 4.05Å; I5-T212 CarbonylContact C-O 3.57Å; I5-T212 VanDerWaalsContact CA-O 3.31Å; I5-T212 WeakPolarHBondContact CA-O 3.34Å; I5-V214 HydrophobicContact CG2-CG2 3.98Å
6	N	61.9	Low	43.9	Very low	35 Å²	35	96.6 Å²	96.6	19%	0.187	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	141.2	173	-69	-30.2	0	0	0	110.3	I4 T212 V213 V214 Y253	I4-N6 WeakPolarHBondContact CG2-OD1 3.07Å; N6-T212 PolarHBondContact N-O 2.75Å; N6-V213 WeakPolarHBondContact O-CA 3.01Å; N6-V214 PolarHBondContact O-N 3.18Å; N6-Y253 PolarHBondContact ND2-OH 3.31Å
7	K	55.5	Low	43.1	Very low	49 Å²	49	98.9 Å²	98.9	21%	0.213	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	124.5	173.6	-179.5	-177.3	172.5	-170.6	0	108.5	E29 V65 F66	K7-E29 PolarHBondContact NZ-O 3.23Å; K7-V65 HydrophobicContact CB-CG1 4.1Å; K7-F66 HydrophobicContact CB-CZ 4.37Å; K7-F66 HydrophobicContact CD-CE1 4.05Å; K7-F66 HydrophobicContact CG-CE1 4.22Å; K7-F66 HydrophobicContact CG-CZ 4.43Å
8	H	54.1	Low	42.5	Very low	43 Å²	43	100.7 Å²	100.7	20%	0.199	50%	0.503	C	S	.	.			trans	-98.7	121.9	172.8	-175.1	-75.8	0	0	0	109.9	V213 V214 A216 L245 D248 Y249	H8-V213 HydrophobicContact CB-CG1 4.19Å; H8-V214 PolarHBondContact N-O 2.76Å; H8-A216 PolarHBondContact O-N 3.28Å; H8-L245 HydrophobicContact CB-CD1 3.88Å; H8-D248 IonicContact NE2-OD2 3.42Å; H8-Y249 HydrophobicContact CB-CE2 4.31Å; H8-Y249 AromaticContact CD2-CE2 3.46Å; H8-Y249 VanDerWaalsContact CD2-CE2 3.46Å; H8-Y249 WeakPolarHBondContact CD2-CE2 3.45Å; H8-Y249 AromaticContact CD2-CZ 3.78Å; H8-Y249 PolarHBondContact CD2-OH 3.25Å; H8-Y249 VanDerWaalsContact CD2-OH 3.29Å
9	T	40.2	Very low	41.9	Very low	35 Å²	35	103.5 Å²	103.5	22%	0.215	52%	0.52	C	S	.	.			trans	-107.3	136	169.6	47.5	0	0	0	0	108.5	D11 V27 E29	T9-D11 PolarHBondContact O-N 2.79Å; T9-V27 PolarHBondContact OG1-O 3.5Å; T9-E29 HydrophobicContact CG2-CB 4.27Å
10	V	38.7	Very low	41.3	Very low	91 Å²	91	106.9 Å²	106.9	55%	0.552	53%	0.534	S	S	*	.			trans	-87.2	102.6	174.8	177.2	0	0	0	0	107	A216	V10-A216 HydrophobicContact CG2-CB 3.86Å
11	D	34.3	Very low	40.8	Very low	114 Å²	114	111 Å²	111	61%	0.61	55%	0.554	S	S	*	*			trans	-118.9	134.8	162.2	-84	-40	0	0	0	108.9	T9	T9-D11 PolarHBondContact O-N 2.79Å
12	N	32.8	Very low	39.9	Very low	145 Å²	145	112 Å²	112	78%	0.775	56%	0.561	S	S	*	*			trans	-71.4	142.3	-179.9	-76.1	-43.8	0	0	0	111.6
13	E	30.1	Very low	39.5	Very low	175 Å²	175	115.3 Å²	115.3	82%	0.818	57%	0.572	S	S	*	*	S	Bend	trans	69.6	129.2	154.1	-65.4	178.7	176.2	0	0	119.2
14	D	29.9	Very low	38.7	Very low	139 Å²	139	122.2 Å²	122.2	74%	0.743	60%	0.603	S	S	*	*			trans	70	110.3	166.2	-62.4	-26.9	0	0	0	118.5
15	Y	32.1	Very low	37.3	Very low	228 Å²	228	123.4 Å²	123.4	89%	0.894	62%	0.618	S	S	*	*				-179.2	127.2	101.7	-101.7	-83.7	0	0	0	110.9
16	K	29.7	Very low	36	Very low	184 Å²	184	128.4 Å²	128.4	80%	0.8	64%	0.644	S	S	*	*			trans	-77.8	153.3	163.1	-78.6	176	174.2	173.9	0	109.9
17	N	30.8	Very low	35.1	Very low	135 Å²	135	130.8 Å²	130.8	72%	0.722	66%	0.659	S	S	*	*			trans	86.4	131.5	149.4	-74.2	10.8	0	0	0	120.3
18	D	32.8	Very low	34.7	Very low	131 Å²	131	137.2 Å²	137.2	70%	0.701	69%	0.687	S	S	*	*			trans	83.4	109.4	143.7	-53.6	-16.1	0	0	0	119.5
19	D	30.5	Very low	34.7	Very low	154 Å²	154	140.9 Å²	140.9	82%	0.824	70%	0.704	S	S	*	*			trans	49.4	135.6	138	-62.9	-29.3	0	0	0	121
20	E	30.6	Very low	36.3	Very low	172 Å²	172	144.7 Å²	144.7	80%	0.804	73%	0.732	S	S	*	*			trans	77.3	85.4	-172.9	-62	-173.5	159.4	0	0	114.6	N22	E20-N22 PolarHBondContact O-N 3.29Å
21	M	30.1	Very low	38.5	Very low	194 Å²	194	141.9 Å²	141.9	96%	0.956	71%	0.714	S	S	*	*			trans	-66.4	75.2	161.8	-161.4	-178.9	73.7	0	0	109
22	N	29.7	Very low	41.2	Very low	102 Å²	102	138.7 Å²	138.7	55%	0.545	70%	0.701	S	S	.	*			trans	-67.1	131.6	172	-121.9	-16.5	0	0	0	108.3	E20 E24	E20-N22 PolarHBondContact O-N 3.29Å; N22-E24 PolarHBondContact O-N 2.66Å
23	E	33.6	Very low	43.9	Very low	196 Å²	196	134.7 Å²	134.7	92%	0.916	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	16	176.4	-74.8	-176.7	142.6	0	0	114.1
24	E	32.5	Very low	46.9	Very low	165 Å²	165	131.7 Å²	131.7	77%	0.771	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117	6.2	-171.3	-78.2	-170.3	148	0	0	115.3	N22 L26	N22-E24 PolarHBondContact O-N 2.66Å; E24-L26 VanDerWaalsContact C-N 3.3Å; E24-L26 PolarHBondContact O-N 3.34Å
25	S	30.1	Very low	50	Low	100 Å²	100	126.4 Å²	126.4	70%	0.699	64%	0.644	S	S	*	*			trans	-86	24.3	179.2	71.5	0	0	0	0	115.8	V27	S25-V27 PolarHBondContact O-N 2.73Å
26	L	36.7	Very low	53.2	Low	110 Å²	110	115.8 Å²	115.8	58%	0.576	60%	0.603	S	S	*	*			trans	-73.6	67.4	169.1	-69.2	172.8	0	0	0	110.9	E24	E24-L26 VanDerWaalsContact C-N 3.3Å; E24-L26 PolarHBondContact O-N 3.34Å
27	V	43.3	Very low	56.4	Low	85 Å²	85	107.1 Å²	107.1	52%	0.515	57%	0.565	S	S	.	*			trans	-83.7	139.4	174.5	171.5	0	0	0	0	108.1	T9 S25	T9-V27 PolarHBondContact OG1-O 3.5Å; S25-V27 PolarHBondContact O-N 2.73Å
28	K	45.6	Very low	59.6	Low	184 Å²	184	100.7 Å²	100.7	80%	0.8	53%	0.531	S	S	*	.			cis	-166.1	25.9	-22.7	-125.2	169.9	-172.5	172.4	0	110.6
29	E	54.5	Low	62.8	Low	119 Å²	119	94.4 Å²	94.4	56%	0.556	50%	0.497	S	S	*	.			trans	-106.3	113.8	177.7	-116.4	-172.5	168.9	0	0	110.9	K7 T9 L31	K7-E29 PolarHBondContact NZ-O 3.23Å; T9-E29 HydrophobicContact CG2-CB 4.27Å; E29-L31 PolarHBondContact O-N 3.19Å
30	S	73	Confident	66	Low	115 Å²	115	87.1 Å²	87.1	80%	0.804	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-65.3	120.4	172.7	53.6	0	0	0	0	109.4	S32	S30-S32 PolarHBondContact O-N 3.14Å
31	L	86.7	Confident	69.2	Low	33 Å²	33	78.9 Å²	78.9	17%	0.173	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-61.9	137.4	170.8	-71.8	177.5	0	0	0	109	E29 T33 Y37 F66 F69 P217	E29-L31 PolarHBondContact O-N 3.19Å; L31-T33 PolarHBondContact O-N 3.42Å; L31-Y37 HydrophobicContact CD1-CE1 4.32Å; L31-Y37 HydrophobicContact CD2-CE1 4.17Å; L31-F66 HydrophobicContact CD1-CD1 3.88Å; L31-F66 HydrophobicContact CD1-CE1 3.84Å; L31-F69 HydrophobicContact CB-CE2 3.85Å; L31-F69 HydrophobicContact CB-CZ 3.62Å; L31-F69 HydrophobicContact CD1-CE2 4.4Å; L31-F69 HydrophobicContact CD1-CZ 4.39Å; L31-P217 HydrophobicContact CD2-CG 3.9Å
32	S	90.3	Very high	72.4	Confident	47 Å²	47	69.7 Å²	69.7	33%	0.329	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-61.1	130.7	176.4	173.2	0	0	0	0	110.3	S30 D34 Y37	S30-S32 PolarHBondContact O-N 3.14Å; S32-D34 VanDerWaalsContact C-N 3.31Å; S32-D34 PolarHBondContact OG-N 3.12Å; S32-Y37 PolarHBondContact N-OH 2.67Å; S32-Y37 WeakPolarHBondContact O-CE2 3.38Å; S32-Y37 PolarHBondContact O-OH 3.43Å
33	T	90.1	Very high	75.5	Confident	60 Å²	60	65 Å²	65	37%	0.368	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-2.1	174.9	52.7	0	0	0	0	112.7	L31 V35 T68 F69 T114 G115	L31-T33 PolarHBondContact O-N 3.42Å; T33-V35 VanDerWaalsContact C-N 3.3Å; T33-T68 VanDerWaalsContact CG2-OG1 3.28Å; T33-T68 WeakPolarHBondContact CG2-OG1 3.16Å; T33-F69 HydrophobicContact CG2-CE2 4.49Å; T33-F69 HydrophobicContact CG2-CZ 4.33Å; T33-T114 WeakPolarHBondContact O-CB 3.48Å; T33-T114 PolarHBondContact O-OG1 2.94Å; T33-G115 PolarHBondContact O-N 2.88Å
34	D	93	Very high	78.4	Confident	113 Å²	113	57.5 Å²	57.5	60%	0.604	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	0.7	-177.7	-58.3	-40.3	0	0	0	113	S32 T114	S32-D34 VanDerWaalsContact C-N 3.31Å; S32-D34 PolarHBondContact OG-N 3.12Å; D34-T114 VanDerWaalsContact O-CG2 3.29Å; D34-T114 WeakPolarHBondContact O-CG2 3.47Å
35	V	95.1	Very high	81.3	Confident	28 Å²	28	49.7 Å²	49.7	17%	0.17	28%	0.278	C	S	.	.	S	Bend	trans	-129.1	160.6	179.5	-60.9	0	0	0	0	110.9	T33 Y37 G115 Y156	T33-V35 VanDerWaalsContact C-N 3.3Å; V35-Y37 HydrophobicContact CG2-CE2 3.62Å; V35-Y37 WeakPolarHBondContact O-CE2 3.5Å; V35-G115 PolarHBondContact O-N 3.31Å; V35-Y156 HydrophobicContact CG1-CE1 4.2Å; V35-Y156 HydrophobicContact CG2-CD1 4.41Å; V35-Y156 HydrophobicContact CG2-CD2 3.89Å; V35-Y156 HydrophobicContact CG2-CE1 4.42Å; V35-Y156 HydrophobicContact CG2-CE2 3.9Å; V35-Y156 HydrophobicContact CG2-CG 4.16Å
36	N	97.7	Very high	84.2	Confident	5 Å²	5	45.2 Å²	45.2	3%	0.027	25%	0.246	C	C	.	.			trans	-100.6	155	172.6	-67.3	-45	0	0	0	109.7	L105 L106 Q113 T114 G115 N116 S155 Y156	N36-L105 PolarHBondContact ND2-O 3.41Å; N36-L106 HydrophobicContact CB-CD2 4.27Å; N36-L106 PolarHBondContact ND2-O 3.14Å; N36-Q113 PolarHBondContact ND2-O 3.48Å; N36-T114 VanDerWaalsContact OD1-CA 3.26Å; N36-T114 WeakPolarHBondContact OD1-CA 3.37Å; N36-G115 PolarHBondContact OD1-N 3.42Å; N36-N116 HydrophobicContact CB-CB 4.36Å; N36-N116 VanDerWaalsContact OD1-CB 3.31Å; N36-N116 WeakPolarHBondContact OD1-CB 3.28Å; N36-N116 PolarHBondContact OD1-N 2.88Å; N36-S155 CarbonylContact O-C 3.37Å; N36-S155 WeakPolarHBondContact O-CA 3.44Å; N36-S155 WeakPolarHBondContact O-CB 3.43Å; N36-Y156 PolarHBondContact O-N 2.84Å
37	Y	98.1	Very high	86.8	Confident	1 Å²	1	44.4 Å²	44.4	0%	0.004	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	127.2	-174.4	-64.9	-101.7	0	0	0	109.8	L31 S32 V35 F69 N116 F117 V118 Y156 V158 P217	L31-Y37 HydrophobicContact CD1-CE1 4.32Å; L31-Y37 HydrophobicContact CD2-CE1 4.17Å; S32-Y37 PolarHBondContact N-OH 2.67Å; S32-Y37 WeakPolarHBondContact O-CE2 3.38Å; S32-Y37 PolarHBondContact O-OH 3.43Å; V35-Y37 HydrophobicContact CG2-CE2 3.62Å; V35-Y37 WeakPolarHBondContact O-CE2 3.5Å; Y37-F69 HydrophobicContact CD2-CD1 4.21Å; Y37-F69 AromaticContact CD2-CE1 3.57Å; Y37-F69 HydrophobicContact CD2-CE1 3.57Å; Y37-F69 HydrophobicContact CD2-CZ 4.43Å; Y37-F69 HydrophobicContact CE2-CD1 4.35Å; Y37-F69 AromaticContact CE2-CE1 3.3Å; Y37-F69 HydrophobicContact CE2-CE1 3.3Å; Y37-F69 AromaticContact CE2-CZ 3.81Å; Y37-F69 HydrophobicContact CE2-CZ 3.81Å; Y37-N116 PolarHBondContact N-O 3.35Å; Y37-F117 HydrophobicContact CG-CD2 4.32Å; Y37-V118 PolarHBondContact O-N 3.09Å; Y37-Y156 CarbonylContact C-O 3.54Å; Y37-Y156 WeakPolarHBondContact CA-O 3.29Å; Y37-Y156 AromaticContact CE1-CD2 3.96Å; Y37-Y156 HydrophobicContact CE1-CD2 3.96Å; Y37-Y156 HydrophobicContact CE1-CG 4.44Å; Y37-V158 HydrophobicContact CD1-CG2 3.73Å; Y37-V158 HydrophobicContact CG-CG2 4.48Å; Y37-P217 HydrophobicContact CD1-CB 4.48Å; Y37-P217 HydrophobicContact CE1-CB 4.11Å; Y37-P217 HydrophobicContact CE1-CG 4.5Å
38	L	98.5	Very high	89.2	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	105.7	172.9	178.8	54.6	0	0	0	109	L106 V120 F146 L149 A150 Y156 L157 V158	L38-L106 HydrophobicContact CB-CD1 4.13Å; L38-L106 HydrophobicContact CB-CD2 3.93Å; L38-L106 HydrophobicContact CD1-CD1 3.88Å; L38-L106 HydrophobicContact CD2-CD1 3.98Å; L38-L106 HydrophobicContact CG-CD1 4.19Å; L38-V120 HydrophobicContact CD1-CG2 3.77Å; L38-F146 HydrophobicContact CD1-CD2 4.1Å; L38-F146 HydrophobicContact CD1-CE2 3.43Å; L38-F146 VanDerWaalsContact CD1-CE2 3.43Å; L38-F146 HydrophobicContact CD1-CZ 4.09Å; L38-F146 HydrophobicContact CD2-CD2 3.87Å; L38-F146 HydrophobicContact CD2-CE1 4.49Å; L38-F146 HydrophobicContact CD2-CE2 3.72Å; L38-F146 HydrophobicContact CD2-CG 4.32Å; L38-F146 HydrophobicContact CD2-CZ 4.04Å; L38-F146 WeakPolarHBondContact CD2-O 3.38Å; L38-F146 HydrophobicContact CG-CD2 4.06Å; L38-F146 HydrophobicContact CG-CE1 4.41Å; L38-F146 HydrophobicContact CG-CE2 3.38Å; L38-F146 HydrophobicContact CG-CZ 3.59Å; L38-L149 HydrophobicContact CD2-CB 4.36Å; L38-L149 HydrophobicContact CD2-CD2 4.32Å; L38-L149 HydrophobicContact CD2-CG 4.4Å; L38-A150 HydrophobicContact CD2-CB 4.14Å; L38-Y156 PolarHBondContact N-O 3Å; L38-L157 HydrophobicContact CB-CD2 4.22Å; L38-L157 HydrophobicContact CD2-CD2 4.03Å; L38-L157 HydrophobicContact CG-CD2 4.11Å; L38-L157 WeakPolarHBondContact O-CA 3.18Å; L38-V158 PolarHBondContact O-N 3.15Å
39	V	98.4	Very high	91.5	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	121.9	-170.6	-178	0	0	0	0	109.1	F117 V118 V119 V120 V158 C160	V39-F117 HydrophobicContact CB-CE1 4.06Å; V39-F117 HydrophobicContact CB-CZ 4.34Å; V39-F117 HydrophobicContact CG1-CE1 4.13Å; V39-F117 HydrophobicContact CG1-CZ 4.3Å; V39-F117 HydrophobicContact CG2-CD1 3.77Å; V39-F117 HydrophobicContact CG2-CD2 4.18Å; V39-F117 HydrophobicContact CG2-CE1 3.3Å; V39-F117 HydrophobicContact CG2-CE2 3.76Å; V39-F117 HydrophobicContact CG2-CG 4.19Å; V39-F117 HydrophobicContact CG2-CZ 3.3Å; V39-V118 PolarHBondContact N-O 3.26Å; V39-V119 HydrophobicContact CB-CG2 4.14Å; V39-V119 HydrophobicContact CG1-CG1 4.47Å; V39-V119 HydrophobicContact CG1-CG2 4.43Å; V39-V119 CarbonylContact O-C 3.58Å; V39-V119 WeakPolarHBondContact O-CA 3.2Å; V39-V120 PolarHBondContact O-N 3.18Å; V39-V158 WeakPolarHBondContact CA-O 3.48Å; V39-V158 HydrophobicContact CB-CB 4.17Å; V39-V158 HydrophobicContact CG1-CB 4.19Å; V39-V158 HydrophobicContact CG1-CG1 4.27Å; V39-V158 HydrophobicContact CG2-CB 3.69Å; V39-V158 HydrophobicContact CG2-CG1 4.23Å; V39-V158 HydrophobicContact CG2-CG2 4Å; V39-C160 HydrophobicContact CG1-CB 3.56Å
40	G	98.2	Very high	93.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	111.2	172.9	0	0	0	0	0	109	H42 V120 V158 C160 Y238	G40-H42 PolarHBondContact O-CD2 3.18Å; G40-V120 WeakPolarHBondContact CA-O 3.2Å; G40-V158 PolarHBondContact N-O 2.86Å; G40-C160 WeakPolarHBondContact O-CB 3.33Å; G40-C160 PolarHBondContact O-N 3.4Å; G40-Y238 VanDerWaalsContact CA-OH 3.24Å; G40-Y238 WeakPolarHBondContact CA-OH 3.2Å; G40-Y238 PolarHBondContact O-OH 3.36Å
41	F	98	Very high	94.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	131.2	178.1	-178.6	-85.4	0	0	0	110.5	P43 A51 F55 V119 V120 V121 L122 T212	F41-P43 WeakPolarHBondContact CE1-O 3.45Å; F41-A51 HydrophobicContact CD1-CB 3.84Å; F41-A51 HydrophobicContact CD2-CB 3.96Å; F41-A51 HydrophobicContact CE1-CB 3.72Å; F41-A51 HydrophobicContact CE2-CB 3.85Å; F41-A51 HydrophobicContact CG-CB 3.95Å; F41-A51 HydrophobicContact CZ-CB 3.71Å; F41-A51 VanDerWaalsContact CZ-N 3.27Å; F41-F55 HydrophobicContact CD2-CD2 4.31Å; F41-F55 AromaticContact CD2-CE2 3.63Å; F41-F55 HydrophobicContact CD2-CE2 3.63Å; F41-F55 AromaticContact CE2-CE2 3.88Å; F41-F55 HydrophobicContact CE2-CE2 3.88Å; F41-V119 HydrophobicContact CB-CG1 3.76Å; F41-V120 PolarHBondContact N-O 3.06Å; F41-V121 HydrophobicContact CD1-CG1 4.12Å; F41-V121 HydrophobicContact CD1-CG2 4.27Å; F41-L122 PolarHBondContact O-N 2.81Å; F41-T212 HydrophobicContact CE2-CG2 4.08Å
42	H	97.1	Very high	94.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	149	-178.3	-58.2	-86.9	0	0	0	111.5	G40 M138 I140 C160 I161 S162 Y238	G40-H42 PolarHBondContact O-CD2 3.18Å; H42-M138 HydrophobicContact CB-CE 3.69Å; H42-M138 HydrophobicContact CB-SD 3.7Å; H42-I140 VanDerWaalsContact CE1-CD1 3.43Å; H42-I140 WeakPolarHBondContact CE1-CD1 3.12Å; H42-C160 PolarHBondContact N-O 2.81Å; H42-I161 CarbonylContact O-C 3.57Å; H42-I161 WeakPolarHBondContact O-CA 3.44Å; H42-S162 PolarHBondContact O-N 3.34Å; H42-Y238 PolarHBondContact CD2-OH 3.32Å; H42-Y238 AromaticContact NE2-CE1 3.67Å; H42-Y238 AromaticContact NE2-CZ 3.69Å; H42-Y238 PolarHBondContact NE2-OH 3.42Å
43	P	95.7	Very high	95	Very high	4 Å²	4	22.9 Å²	22.9	3%	0.026	12%	0.122	C	C	.	.			cis	-76.2	165.5	-21.1	23.2	-12.5	0	0	0	110.6	F41 G45 E127 Y136 M138 S162 Q166	F41-P43 WeakPolarHBondContact CE1-O 3.45Å; P43-G45 PolarHBondContact O-N 3.31Å; P43-E127 VanDerWaalsContact C-OE1 3.28Å; P43-E127 WeakPolarHBondContact CA-OE1 3.33Å; P43-E127 HydrophobicContact CB-CG 4.15Å; P43-Y136 HydrophobicContact CG-CD1 4.17Å; P43-Y136 HydrophobicContact CG-CE1 4.33Å; P43-M138 HydrophobicContact CB-SD 4.16Å; P43-S162 VanDerWaalsContact CD-O 3.31Å; P43-S162 WeakPolarHBondContact CD-O 3.16Å; P43-Q166 VanDerWaalsContact CG-CD 3.41Å; P43-Q166 HydrophobicContact CG-CG 3.99Å
44	H	94.4	Very high	95.2	Very high	39 Å²	39	20 Å²	20	18%	0.181	11%	0.105	C	C	.	.			trans	-59.7	-32.9	175	-172.1	-67.4	0	0	0	112.4	A48 V121 E127	H44-A48 WeakPolarHBondContact O-CA 3.26Å; H44-A48 WeakPolarHBondContact O-CB 3.31Å; H44-A48 PolarHBondContact O-N 3.46Å; H44-V121 VanDerWaalsContact CA-CG1 3.42Å; H44-V121 HydrophobicContact CB-CG1 3.42Å; H44-V121 VanDerWaalsContact CB-CG1 3.42Å; H44-V121 WeakPolarHBondContact CD2-CG1 3.4Å; H44-V121 VanDerWaalsContact CG-CG1 3.43Å; H44-E127 HydrophobicContact CB-CB 4.13Å; H44-E127 HydrophobicContact CB-CG 4.24Å; H44-E127 PolarHBondContact N-OE1 2.83Å
45	G	92.4	Very high	95.4	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	-163.4	-164.2	0	0	0	0	0	112	P43 A128 S131	P43-G45 PolarHBondContact O-N 3.31Å; G45-A128 VanDerWaalsContact O-CA 3.26Å; G45-A128 WeakPolarHBondContact O-CA 3.48Å; G45-A128 VanDerWaalsContact O-CB 3.24Å; G45-A128 WeakPolarHBondContact O-CB 3.42Å; G45-S131 WeakPolarHBondContact CA-OG 3.46Å
46	I	91.5	Very high	95.4	Very high	7 Å²	7	13.9 Å²	13.9	4%	0.036	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-47.8	177.7	-58.8	-59.4	0	0	0	111.7	A128 Y169 Q171 P196 F198	I46-A128 WeakPolarHBondContact CD1-O 3.19Å; I46-Y169 HydrophobicContact CB-CD2 3.97Å; I46-Y169 HydrophobicContact CB-CG 4.12Å; I46-Y169 HydrophobicContact CG1-CD2 4.39Å; I46-Y169 HydrophobicContact CG1-CG 4.26Å; I46-Y169 HydrophobicContact CG2-CG 4.46Å; I46-Q171 HydrophobicContact CD1-CB 4.48Å; I46-Q171 HydrophobicContact CD1-CG 4.47Å; I46-P196 HydrophobicContact CD1-CB 4.01Å; I46-P196 HydrophobicContact CG2-CB 4.31Å; I46-P196 HydrophobicContact CG2-CG 3.89Å; I46-F198 HydrophobicContact CG2-CB 4.23Å; I46-F198 HydrophobicContact CG2-CD1 3.39Å; I46-F198 HydrophobicContact CG2-CD2 4.13Å; I46-F198 HydrophobicContact CG2-CE1 3.64Å; I46-F198 HydrophobicContact CG2-CE2 4.33Å; I46-F198 HydrophobicContact CG2-CG 3.66Å; I46-F198 HydrophobicContact CG2-CZ 4.11Å
47	L	90.8	Very high	95.3	Very high	93 Å²	93	15.2 Å²	15.2	49%	0.487	8%	0.081	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.3	7	-173.4	-61.3	-176.3	0	0	0	114.4	T49 Y169 F198	L47-T49 PolarHBondContact O-N 3.49Å; L47-Y169 HydrophobicContact CB-CE2 4.38Å; L47-Y169 HydrophobicContact CD1-CE1 4.2Å; L47-Y169 HydrophobicContact CD1-CE2 4.24Å; L47-Y169 HydrophobicContact CG-CE2 4.33Å; L47-F198 HydrophobicContact CD1-CZ 4.39Å; L47-F198 HydrophobicContact CD2-CZ 4.37Å
48	A	93.7	Very high	95.1	Very high	10 Å²	10	19.9 Å²	19.9	8%	0.083	10%	0.103	C	C	.	.			trans	49.7	45.6	-173.6	0	0	0	0	0	112.7	H44 A51 F52 V121 E165	H44-A48 WeakPolarHBondContact O-CA 3.26Å; H44-A48 WeakPolarHBondContact O-CB 3.31Å; H44-A48 PolarHBondContact O-N 3.46Å; A48-A51 HydrophobicContact CB-CB 4.09Å; A48-A51 WeakPolarHBondContact O-CB 3.34Å; A48-A51 PolarHBondContact O-N 3.34Å; A48-F52 PolarHBondContact O-N 3.38Å; A48-V121 HydrophobicContact CB-CG1 4.36Å; A48-V121 HydrophobicContact CB-CG2 3.98Å; A48-E165 VanDerWaalsContact C-OE1 3.26Å; A48-E165 WeakPolarHBondContact CA-OE1 3.31Å
49	T	93.5	Very high	94.8	Very high	19 Å²	19	23.6 Å²	23.6	12%	0.117	13%	0.133	C	C	.	.	H	α-helix	trans	-64.5	-41.5	-176.3	-55.4	0	0	0	0	111.2	M1 L47 A51 F52 I53 E165 L168	M1-T49 HydrophobicContact CE-CG2 3.7Å; M1-T49 HydrophobicContact SD-CG2 3.96Å; L47-T49 PolarHBondContact O-N 3.49Å; T49-A51 VanDerWaalsContact C-N 3.33Å; T49-A51 PolarHBondContact O-N 2.92Å; T49-F52 PolarHBondContact O-N 2.95Å; T49-I53 HydrophobicContact CG2-CD1 3.76Å; T49-I53 HydrophobicContact CG2-CG1 4.35Å; T49-I53 WeakPolarHBondContact O-CB 3.31Å; T49-I53 WeakPolarHBondContact O-CG1 3.45Å; T49-I53 PolarHBondContact O-N 2.94Å; T49-E165 PolarHBondContact N-OE1 2.95Å; T49-L168 HydrophobicContact CG2-CD1 4.11Å
50	G	93.6	Very high	94.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-60	-43.9	173.6	0	0	0	0	0	111.5	F52 I53 N54 E165	G50-F52 PolarHBondContact O-N 3.21Å; G50-I53 PolarHBondContact O-N 3.02Å; G50-N54 WeakPolarHBondContact O-CB 3.45Å; G50-N54 VanDerWaalsContact O-CG 3.25Å; G50-N54 PolarHBondContact O-N 3.46Å; G50-N54 PolarHBondContact O-ND2 3.02Å; G50-E165 WeakPolarHBondContact CA-OE2 3.29Å; G50-E165 PolarHBondContact N-OE1 3.43Å; G50-E165 VanDerWaalsContact N-OE1 3.14Å; G50-E165 PolarHBondContact N-OE2 3.43Å
51	A	95.8	Very high	94.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-60.7	-44.7	177.2	0	0	0	0	0	112	F41 A48 T49 F55 L73 V121	F41-A51 HydrophobicContact CD1-CB 3.84Å; F41-A51 HydrophobicContact CD2-CB 3.96Å; F41-A51 HydrophobicContact CE1-CB 3.72Å; F41-A51 HydrophobicContact CE2-CB 3.85Å; F41-A51 HydrophobicContact CG-CB 3.95Å; F41-A51 HydrophobicContact CZ-CB 3.71Å; F41-A51 VanDerWaalsContact CZ-N 3.27Å; A48-A51 HydrophobicContact CB-CB 4.09Å; A48-A51 WeakPolarHBondContact O-CB 3.34Å; A48-A51 PolarHBondContact O-N 3.34Å; T49-A51 VanDerWaalsContact C-N 3.33Å; T49-A51 PolarHBondContact O-N 2.92Å; A51-F55 HydrophobicContact CB-CD2 4.48Å; A51-F55 WeakPolarHBondContact O-CB 3.5Å; A51-F55 WeakPolarHBondContact O-CD2 3.45Å; A51-F55 PolarHBondContact O-N 3.42Å; A51-L73 HydrophobicContact CB-CD1 3.98Å; A51-L73 HydrophobicContact CB-CD2 4.38Å; A51-V121 HydrophobicContact CB-CG2 4.19Å
52	F	95.1	Very high	93.9	Very high	70 Å²	70	25.5 Å²	25.5	31%	0.307	15%	0.147	S	C	.	.	H	α-helix	trans	-61.6	-53.1	176.5	175.7	-102.7	0	0	0	111.7	A48 T49 G50 N54 A56 T57 L73 F92 M94	A48-F52 PolarHBondContact O-N 3.38Å; T49-F52 PolarHBondContact O-N 2.95Å; G50-F52 PolarHBondContact O-N 3.21Å; F52-N54 VanDerWaalsContact C-N 3.29Å; F52-N54 PolarHBondContact O-N 3.02Å; F52-A56 HydrophobicContact CD2-CB 3.62Å; F52-A56 HydrophobicContact CE2-CB 3.9Å; F52-A56 HydrophobicContact CG-CB 4.38Å; F52-A56 WeakPolarHBondContact O-CA 3.19Å; F52-A56 WeakPolarHBondContact O-CB 3.36Å; F52-A56 PolarHBondContact O-N 3.16Å; F52-T57 HydrophobicContact CD1-CG2 4.38Å; F52-T57 HydrophobicContact CE1-CG2 3.87Å; F52-T57 HydrophobicContact CE2-CG2 4.43Å; F52-T57 HydrophobicContact CZ-CG2 3.89Å; F52-T57 PolarHBondContact O-N 2.95Å; F52-L73 HydrophobicContact CB-CD2 4.34Å; F52-F92 HydrophobicContact CE2-CB 4.45Å; F52-F92 HydrophobicContact CE2-CD2 4.46Å; F52-F92 HydrophobicContact CE2-CG 4.27Å; F52-F92 HydrophobicContact CZ-CD1 4.49Å; F52-F92 HydrophobicContact CZ-CG 4.49Å; F52-M94 HydrophobicContact CD2-CE 3.99Å; F52-M94 HydrophobicContact CD2-SD 4.06Å; F52-M94 HydrophobicContact CE2-CE 3.65Å; F52-M94 HydrophobicContact CE2-SD 4.33Å
53	I	94.6	Very high	93.7	Very high	31 Å²	31	28.6 Å²	28.6	16%	0.159	17%	0.168	C	C	.	.	H	α-helix	trans	-60.7	-41.6	-178.2	-69.3	174.7	0	0	0	110.7	M1 T49 G50 T57 A59 T60	M1-I53 HydrophobicContact CE-CD1 3.84Å; M1-I53 HydrophobicContact CG-CD1 4.5Å; M1-I53 HydrophobicContact SD-CD1 3.57Å; M1-I53 VanDerWaalsContact SD-CD1 3.57Å; T49-I53 HydrophobicContact CG2-CD1 3.76Å; T49-I53 HydrophobicContact CG2-CG1 4.35Å; T49-I53 WeakPolarHBondContact O-CB 3.31Å; T49-I53 WeakPolarHBondContact O-CG1 3.45Å; T49-I53 PolarHBondContact O-N 2.94Å; G50-I53 PolarHBondContact O-N 3.02Å; I53-T57 PolarHBondContact O-OG1 3.42Å; I53-A59 HydrophobicContact CG2-CB 3.94Å; I53-T60 HydrophobicContact CG2-CG2 4.1Å
54	N	95	Very high	93.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-83.5	-31.3	-172	-71.2	-24.1	0	0	0	114.7	S3 I5 G50 F52 T60 T212	S3-N54 PolarHBondContact OG-ND2 3.4Å; S3-N54 VanDerWaalsContact OG-ND2 3.12Å; S3-N54 PolarHBondContact OG-OD1 3.22Å; I5-N54 HydrophobicContact CD1-CB 3.41Å; I5-N54 VanDerWaalsContact CD1-CB 3.41Å; I5-N54 WeakPolarHBondContact CD1-O 3.33Å; I5-N54 HydrophobicContact CG1-CB 3.59Å; I5-N54 WeakPolarHBondContact CG1-OD1 3.29Å; G50-N54 WeakPolarHBondContact O-CB 3.45Å; G50-N54 VanDerWaalsContact O-CG 3.25Å; G50-N54 PolarHBondContact O-N 3.46Å; G50-N54 PolarHBondContact O-ND2 3.02Å; F52-N54 VanDerWaalsContact C-N 3.29Å; F52-N54 PolarHBondContact O-N 3.02Å; N54-T60 WeakPolarHBondContact OD1-CB 3.43Å; N54-T60 WeakPolarHBondContact OD1-CG2 3.39Å; N54-T60 PolarHBondContact OD1-OG1 3.21Å; N54-T212 VanDerWaalsContact ND2-CB 3.27Å; N54-T212 WeakPolarHBondContact ND2-CB 3.37Å; N54-T212 PolarHBondContact ND2-OG1 2.92Å
55	F	96.4	Very high	93.4	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.009	20%	0.203	C	C	.	.	H	α-helix	trans	-122.8	-9.3	-172	-54.3	-70.5	0	0	0	114.3	F41 A51 F62 P71 F117 V119 T212 V214	F41-F55 HydrophobicContact CD2-CD2 4.31Å; F41-F55 AromaticContact CD2-CE2 3.63Å; F41-F55 HydrophobicContact CD2-CE2 3.63Å; F41-F55 AromaticContact CE2-CE2 3.88Å; F41-F55 HydrophobicContact CE2-CE2 3.88Å; A51-F55 HydrophobicContact CB-CD2 4.48Å; A51-F55 WeakPolarHBondContact O-CB 3.5Å; A51-F55 WeakPolarHBondContact O-CD2 3.45Å; A51-F55 PolarHBondContact O-N 3.42Å; F55-F62 AromaticContact CD1-CD2 3.85Å; F55-F62 HydrophobicContact CD1-CD2 3.85Å; F55-F62 AromaticContact CD1-CE2 3.79Å; F55-F62 HydrophobicContact CD1-CE2 3.79Å; F55-F62 HydrophobicContact CE1-CD2 4.28Å; F55-F62 HydrophobicContact CE1-CE2 4.15Å; F55-P71 WeakPolarHBondContact O-CB 3.46Å; F55-F117 HydrophobicContact CD1-CD1 4.41Å; F55-F117 HydrophobicContact CD1-CE1 4.02Å; F55-F117 AromaticContact CE1-CE1 3.77Å; F55-F117 HydrophobicContact CE1-CE1 3.77Å; F55-V119 HydrophobicContact CB-CB 4.49Å; F55-V119 HydrophobicContact CB-CG2 3.92Å; F55-V119 HydrophobicContact CD1-CG2 3.81Å; F55-V119 HydrophobicContact CD2-CB 4.48Å; F55-V119 HydrophobicContact CD2-CG1 3.95Å; F55-V119 HydrophobicContact CD2-CG2 4.09Å; F55-V119 HydrophobicContact CE1-CG2 4.35Å; F55-V119 HydrophobicContact CE2-CG1 4.3Å; F55-V119 HydrophobicContact CG-CB 4.41Å; F55-V119 HydrophobicContact CG-CG1 4.35Å; F55-V119 HydrophobicContact CG-CG2 3.66Å; F55-T212 HydrophobicContact CE2-CG2 4.15Å; F55-T212 HydrophobicContact CZ-CG2 3.99Å; F55-V214 HydrophobicContact CE1-CG2 4.34Å; F55-V214 HydrophobicContact CZ-CG2 4.14Å
56	A	95.7	Very high	93.4	Very high	10 Å²	10	36.4 Å²	36.4	8%	0.083	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-8.3	174.8	0	0	0	0	0	112.1	F52 L73 F92 M94	F52-A56 HydrophobicContact CD2-CB 3.62Å; F52-A56 HydrophobicContact CE2-CB 3.9Å; F52-A56 HydrophobicContact CG-CB 4.38Å; F52-A56 WeakPolarHBondContact O-CA 3.19Å; F52-A56 WeakPolarHBondContact O-CB 3.36Å; F52-A56 PolarHBondContact O-N 3.16Å; A56-L73 HydrophobicContact CB-CB 4.44Å; A56-L73 HydrophobicContact CB-CD2 4.1Å; A56-F92 WeakPolarHBondContact CA-O 3.46Å; A56-F92 HydrophobicContact CB-CB 4.08Å; A56-F92 WeakPolarHBondContact O-CB 3.37Å; A56-F92 VanDerWaalsContact O-CD1 3.3Å; A56-F92 WeakPolarHBondContact O-CD1 3.41Å; A56-M94 HydrophobicContact CB-CG 4.25Å
57	T	94.4	Very high	93.3	Very high	33 Å²	33	39.9 Å²	39.9	20%	0.202	23%	0.226	C	C	.	.	S	Bend	trans	-135.9	164.5	179.5	86.9	0	0	0	0	111.3	F52 I53 A59 F92	F52-T57 HydrophobicContact CD1-CG2 4.38Å; F52-T57 HydrophobicContact CE1-CG2 3.87Å; F52-T57 HydrophobicContact CE2-CG2 4.43Å; F52-T57 HydrophobicContact CZ-CG2 3.89Å; F52-T57 PolarHBondContact O-N 2.95Å; I53-T57 PolarHBondContact O-OG1 3.42Å; T57-A59 VanDerWaalsContact C-N 3.31Å; T57-A59 VanDerWaalsContact OG1-CB 3.23Å; T57-A59 WeakPolarHBondContact OG1-CB 3.44Å; T57-A59 PolarHBondContact OG1-N 2.88Å; T57-F92 HydrophobicContact CG2-CD1 4.17Å; T57-F92 HydrophobicContact CG2-CE1 4.33Å
58	E	93.5	Very high	93.3	Very high	100 Å²	100	41.1 Å²	41.1	47%	0.467	24%	0.238	S	C	.	.	S	Bend	trans	-91.3	13.7	173	-72.6	-63.2	142.9	0	0	113	T60 G61 F62 S63	E58-T60 PolarHBondContact O-N 2.62Å; E58-T60 VanDerWaalsContact O-N 3.1Å; E58-G61 PolarHBondContact O-N 3.07Å; E58-F62 PolarHBondContact OE2-N 3.19Å; E58-S63 WeakPolarHBondContact OE2-CB 3.32Å; E58-S63 PolarHBondContact OE2-N 3.29Å; E58-S63 VanDerWaalsContact OE2-N 3.07Å; E58-S63 PolarHBondContact OE2-OG 3.29Å
59	A	92.2	Very high	93.3	Very high	77 Å²	77	41.7 Å²	41.7	64%	0.636	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-26.1	-175	0	0	0	0	0	113.8	I53 T57	I53-A59 HydrophobicContact CG2-CB 3.94Å; T57-A59 VanDerWaalsContact C-N 3.31Å; T57-A59 VanDerWaalsContact OG1-CB 3.23Å; T57-A59 WeakPolarHBondContact OG1-CB 3.44Å; T57-A59 PolarHBondContact OG1-N 2.88Å
60	T	91.5	Very high	93.4	Very high	27 Å²	27	45.8 Å²	45.8	17%	0.166	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	13.1	176.8	51.7	0	0	0	0	113.2	S3 I5 I53 N54 E58	S3-T60 VanDerWaalsContact CB-CG2 3.49Å; S3-T60 WeakPolarHBondContact O-CG2 3.4Å; I5-T60 WeakPolarHBondContact CD1-OG1 3.28Å; I5-T60 WeakPolarHBondContact CG1-OG1 3.38Å; I53-T60 HydrophobicContact CG2-CG2 4.1Å; N54-T60 WeakPolarHBondContact OD1-CB 3.43Å; N54-T60 WeakPolarHBondContact OD1-CG2 3.39Å; N54-T60 PolarHBondContact OD1-OG1 3.21Å; E58-T60 PolarHBondContact O-N 2.62Å; E58-T60 VanDerWaalsContact O-N 3.1Å
61	G	92.4	Very high	93.6	Very high	12 Å²	12	47.3 Å²	47.3	12%	0.124	27%	0.265	C	S	.	.			trans	67.2	44.1	175.9	0	0	0	0	0	113.9	E58 S63 K64 V65	E58-G61 PolarHBondContact O-N 3.07Å; G61-S63 PolarHBondContact O-N 2.74Å; G61-K64 WeakPolarHBondContact O-CA 3.34Å; G61-K64 VanDerWaalsContact O-CB 3.31Å; G61-K64 WeakPolarHBondContact O-CB 3.38Å; G61-K64 PolarHBondContact O-N 2.88Å; G61-V65 PolarHBondContact O-N 2.84Å
62	F	93.6	Very high	93.7	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.009	27%	0.27	C	S	.	.	H	α-helix	trans	-47.8	-47.7	177	177.3	-86.6	0	0	0	111.6	I5 F55 E58 K64 V65 F66 F69 P71 F117	I5-F62 HydrophobicContact CD1-CD2 4.47Å; F55-F62 AromaticContact CD1-CD2 3.85Å; F55-F62 HydrophobicContact CD1-CD2 3.85Å; F55-F62 AromaticContact CD1-CE2 3.79Å; F55-F62 HydrophobicContact CD1-CE2 3.79Å; F55-F62 HydrophobicContact CE1-CD2 4.28Å; F55-F62 HydrophobicContact CE1-CE2 4.15Å; E58-F62 PolarHBondContact OE2-N 3.19Å; F62-K64 PolarHBondContact O-N 2.83Å; F62-V65 PolarHBondContact O-N 2.81Å; F62-V65 VanDerWaalsContact O-N 3.09Å; F62-F66 HydrophobicContact CD1-CB 4.5Å; F62-F66 AromaticContact CD2-CD2 3.76Å; F62-F66 HydrophobicContact CD2-CD2 3.76Å; F62-F66 HydrophobicContact CD2-CE2 4.43Å; F62-F66 HydrophobicContact CE1-CB 3.9Å; F62-F66 HydrophobicContact CE2-CB 4.2Å; F62-F66 AromaticContact CE2-CD2 3.42Å; F62-F66 HydrophobicContact CE2-CD2 3.42Å; F62-F66 VanDerWaalsContact CE2-CD2 3.42Å; F62-F66 HydrophobicContact CE2-CE2 4.12Å; F62-F66 HydrophobicContact CE2-CG 4.08Å; F62-F66 HydrophobicContact CG-CD2 4.45Å; F62-F66 HydrophobicContact CZ-CB 3.73Å; F62-F66 AromaticContact CZ-CD2 3.86Å; F62-F66 HydrophobicContact CZ-CD2 3.86Å; F62-F66 HydrophobicContact CZ-CG 4.05Å; F62-F66 PolarHBondContact O-N 2.92Å; F62-F69 HydrophobicContact CE1-CB 4.12Å; F62-F69 HydrophobicContact CZ-CB 4.2Å; F62-P71 HydrophobicContact CD1-CB 4.18Å; F62-P71 HydrophobicContact CD1-CG 3.79Å; F62-P71 HydrophobicContact CE1-CB 3.79Å; F62-P71 HydrophobicContact CE1-CG 3.7Å; F62-P71 HydrophobicContact CE2-CB 4.12Å; F62-P71 HydrophobicContact CG-CG 4.39Å; F62-P71 HydrophobicContact CZ-CB 3.75Å; F62-P71 HydrophobicContact CZ-CG 4.21Å; F62-F117 AromaticContact CE2-CD1 3.97Å; F62-F117 HydrophobicContact CE2-CD1 3.97Å; F62-F117 HydrophobicContact CE2-CE1 4.14Å; F62-F117 HydrophobicContact CE2-CG 4.37Å; F62-F117 HydrophobicContact CZ-CB 4.16Å; F62-F117 HydrophobicContact CZ-CD1 4.05Å; F62-F117 HydrophobicContact CZ-CG 4.02Å
63	S	92.8	Very high	93.8	Very high	64 Å²	64	45.5 Å²	45.5	45%	0.448	26%	0.256	S	S	.	.	H	α-helix	trans	-62.1	-22.2	179.2	58.4	0	0	0	0	114.5	E58 G61 P67	E58-S63 WeakPolarHBondContact OE2-CB 3.32Å; E58-S63 PolarHBondContact OE2-N 3.29Å; E58-S63 VanDerWaalsContact OE2-N 3.07Å; E58-S63 PolarHBondContact OE2-OG 3.29Å; G61-S63 PolarHBondContact O-N 2.74Å; S63-P67 WeakPolarHBondContact O-CA 3.31Å
64	K	92	Very high	94	Very high	183 Å²	183	44.3 Å²	44.3	80%	0.796	25%	0.251	S	S	*	.	H	α-helix	trans	-80	-40.1	173.5	-59.6	-178.6	178.3	-180	0	111.7	G61 F62	G61-K64 WeakPolarHBondContact O-CA 3.34Å; G61-K64 VanDerWaalsContact O-CB 3.31Å; G61-K64 WeakPolarHBondContact O-CB 3.38Å; G61-K64 PolarHBondContact O-N 2.88Å; F62-K64 PolarHBondContact O-N 2.83Å
65	V	90.5	Very high	93.9	Very high	23 Å²	23	45.8 Å²	45.8	14%	0.139	26%	0.259	C	S	.	.	H	α-helix	trans	-77.2	-39	-178.9	-177.1	0	0	0	0	111.5	K7 G61 F62 P67	K7-V65 HydrophobicContact CB-CG1 4.1Å; G61-V65 PolarHBondContact O-N 2.84Å; F62-V65 PolarHBondContact O-N 2.81Å; F62-V65 VanDerWaalsContact O-N 3.09Å; V65-P67 VanDerWaalsContact C-CD 3.49Å; V65-P67 WeakPolarHBondContact O-CD 3.38Å
66	F	92	Very high	93.7	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.009	27%	0.273	C	S	.	.	S	Bend	trans	-122.5	70.7	-179.4	-59.8	-73.2	0	0	0	110	I5 K7 L31 F62 T68 F69 F117 V214	I5-F66 HydrophobicContact CG2-CE2 4.05Å; K7-F66 HydrophobicContact CB-CZ 4.37Å; K7-F66 HydrophobicContact CD-CE1 4.05Å; K7-F66 HydrophobicContact CG-CE1 4.22Å; K7-F66 HydrophobicContact CG-CZ 4.43Å; L31-F66 HydrophobicContact CD1-CD1 3.88Å; L31-F66 HydrophobicContact CD1-CE1 3.84Å; F62-F66 HydrophobicContact CD1-CB 4.5Å; F62-F66 AromaticContact CD2-CD2 3.76Å; F62-F66 HydrophobicContact CD2-CD2 3.76Å; F62-F66 HydrophobicContact CD2-CE2 4.43Å; F62-F66 HydrophobicContact CE1-CB 3.9Å; F62-F66 HydrophobicContact CE2-CB 4.2Å; F62-F66 AromaticContact CE2-CD2 3.42Å; F62-F66 HydrophobicContact CE2-CD2 3.42Å; F62-F66 VanDerWaalsContact CE2-CD2 3.42Å; F62-F66 HydrophobicContact CE2-CE2 4.12Å; F62-F66 HydrophobicContact CE2-CG 4.08Å; F62-F66 HydrophobicContact CG-CD2 4.45Å; F62-F66 HydrophobicContact CZ-CB 3.73Å; F62-F66 AromaticContact CZ-CD2 3.86Å; F62-F66 HydrophobicContact CZ-CD2 3.86Å; F62-F66 HydrophobicContact CZ-CG 4.05Å; F62-F66 PolarHBondContact O-N 2.92Å; F66-T68 PolarHBondContact O-N 2.92Å; F66-F69 HydrophobicContact CB-CB 4.02Å; F66-F69 HydrophobicContact CB-CD2 3.82Å; F66-F69 HydrophobicContact CB-CG 4.2Å; F66-F69 PolarHBondContact O-N 2.94Å; F66-F117 HydrophobicContact CD1-CE2 4.43Å; F66-F117 HydrophobicContact CE1-CE2 4.33Å; F66-F117 HydrophobicContact CZ-CZ 4.43Å; F66-V214 HydrophobicContact CE1-CG1 4.47Å; F66-V214 HydrophobicContact CE2-CG2 4.17Å; F66-V214 HydrophobicContact CZ-CB 3.93Å; F66-V214 HydrophobicContact CZ-CG1 3.88Å; F66-V214 HydrophobicContact CZ-CG2 3.94Å
67	P	90.3	Very high	93.6	Very high	79 Å²	79	55 Å²	55	51%	0.513	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	141.8	179.4	26.6	-34.7	0	0	0	109.9	S63 V65 F69	S63-P67 WeakPolarHBondContact O-CA 3.31Å; V65-P67 VanDerWaalsContact C-CD 3.49Å; V65-P67 WeakPolarHBondContact O-CD 3.38Å; P67-F69 WeakPolarHBondContact O-CD2 3.49Å; P67-F69 PolarHBondContact O-N 2.83Å; P67-F69 VanDerWaalsContact O-N 3.14Å
68	T	90.6	Very high	93.5	Very high	119 Å²	119	55.8 Å²	55.8	73%	0.73	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	70	-10.3	-179.9	75.2	0	0	0	0	117.1	T33 F66	T33-T68 VanDerWaalsContact CG2-OG1 3.28Å; T33-T68 WeakPolarHBondContact CG2-OG1 3.16Å; F66-T68 PolarHBondContact O-N 2.92Å
69	F	94.4	Very high	93.3	Very high	23 Å²	23	54.4 Å²	54.4	10%	0.101	30%	0.302	C	S	.	.			trans	-76.4	146.9	176.2	-73.7	-82.4	0	0	0	112	L31 T33 Y37 F62 F66 P67 G115 F117	L31-F69 HydrophobicContact CB-CE2 3.85Å; L31-F69 HydrophobicContact CB-CZ 3.62Å; L31-F69 HydrophobicContact CD1-CE2 4.4Å; L31-F69 HydrophobicContact CD1-CZ 4.39Å; T33-F69 HydrophobicContact CG2-CE2 4.49Å; T33-F69 HydrophobicContact CG2-CZ 4.33Å; Y37-F69 HydrophobicContact CD2-CD1 4.21Å; Y37-F69 AromaticContact CD2-CE1 3.57Å; Y37-F69 HydrophobicContact CD2-CE1 3.57Å; Y37-F69 HydrophobicContact CD2-CZ 4.43Å; Y37-F69 HydrophobicContact CE2-CD1 4.35Å; Y37-F69 AromaticContact CE2-CE1 3.3Å; Y37-F69 HydrophobicContact CE2-CE1 3.3Å; Y37-F69 AromaticContact CE2-CZ 3.81Å; Y37-F69 HydrophobicContact CE2-CZ 3.81Å; F62-F69 HydrophobicContact CE1-CB 4.12Å; F62-F69 HydrophobicContact CZ-CB 4.2Å; F66-F69 HydrophobicContact CB-CB 4.02Å; F66-F69 HydrophobicContact CB-CD2 3.82Å; F66-F69 HydrophobicContact CB-CG 4.2Å; F66-F69 PolarHBondContact O-N 2.94Å; P67-F69 WeakPolarHBondContact O-CD2 3.49Å; P67-F69 PolarHBondContact O-N 2.83Å; P67-F69 VanDerWaalsContact O-N 3.14Å; F69-G115 WeakPolarHBondContact CA-O 3.28Å; F69-G115 WeakPolarHBondContact CD1-O 3.21Å; F69-F117 HydrophobicContact CB-CB 4.39Å; F69-F117 HydrophobicContact CD1-CB 4.49Å; F69-F117 HydrophobicContact CD1-CD2 4.42Å
70	K	95	Very high	93.4	Very high	105 Å²	105	52.3 Å²	52.3	46%	0.457	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	108.5	174.4	-169.4	172.2	-176.5	-177.4	0	110.5	Y72 G115 F117	K70-Y72 HydrophobicContact CB-CE2 4.16Å; K70-Y72 HydrophobicContact CD-CE2 3.74Å; K70-Y72 VanDerWaalsContact CD-OH 3.3Å; K70-Y72 WeakPolarHBondContact CD-OH 3.4Å; K70-Y72 WeakPolarHBondContact CE-OH 3.27Å; K70-Y72 HydrophobicContact CG-CD2 4.38Å; K70-Y72 HydrophobicContact CG-CE2 3.68Å; K70-Y72 PolarHBondContact NZ-OH 2.87Å; K70-Y72 WeakPolarHBondContact O-CD2 3.2Å; K70-G115 PolarHBondContact N-O 3.15Å; K70-F117 PolarHBondContact O-N 3.3Å
71	P	96.9	Very high	93.5	Very high	31 Å²	31	57.7 Å²	57.7	20%	0.201	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	142.5	-178.4	32.8	-33.9	0	0	0	111.2	F55 F62 F117	F55-P71 WeakPolarHBondContact O-CB 3.46Å; F62-P71 HydrophobicContact CD1-CB 4.18Å; F62-P71 HydrophobicContact CD1-CG 3.79Å; F62-P71 HydrophobicContact CE1-CB 3.79Å; F62-P71 HydrophobicContact CE1-CG 3.7Å; F62-P71 HydrophobicContact CE2-CB 4.12Å; F62-P71 HydrophobicContact CG-CG 4.39Å; F62-P71 HydrophobicContact CZ-CB 3.75Å; F62-P71 HydrophobicContact CZ-CG 4.21Å; P71-F117 WeakPolarHBondContact CA-O 3.24Å
72	Y	98	Very high	93.5	Very high	28 Å²	28	59.6 Å²	59.6	11%	0.11	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	115.6	172	-69.1	-82.2	0	0	0	109.8	K70 G93 I95 L105 N116 F117 V118 V119	K70-Y72 HydrophobicContact CB-CE2 4.16Å; K70-Y72 HydrophobicContact CD-CE2 3.74Å; K70-Y72 VanDerWaalsContact CD-OH 3.3Å; K70-Y72 WeakPolarHBondContact CD-OH 3.4Å; K70-Y72 WeakPolarHBondContact CE-OH 3.27Å; K70-Y72 HydrophobicContact CG-CD2 4.38Å; K70-Y72 HydrophobicContact CG-CE2 3.68Å; K70-Y72 PolarHBondContact NZ-OH 2.87Å; K70-Y72 WeakPolarHBondContact O-CD2 3.2Å; Y72-G93 WeakPolarHBondContact CA-O 3.38Å; Y72-I95 HydrophobicContact CD1-CG2 3.68Å; Y72-I95 HydrophobicContact CE1-CG2 4.37Å; Y72-I95 HydrophobicContact CG-CG2 4.46Å; Y72-L105 HydrophobicContact CD1-CD1 4.15Å; Y72-L105 HydrophobicContact CD2-CD1 4.33Å; Y72-L105 HydrophobicContact CE1-CD1 4.37Å; Y72-L105 HydrophobicContact CE1-CD2 4.44Å; Y72-L105 HydrophobicContact CE2-CD2 4.13Å; Y72-L105 HydrophobicContact CG-CD1 4.09Å; Y72-N116 HydrophobicContact CD2-CB 4.42Å; Y72-N116 HydrophobicContact CE2-CB 4.38Å; Y72-F117 PolarHBondContact N-O 3.24Å; Y72-V118 HydrophobicContact CD2-CG2 4.47Å; Y72-V118 CarbonylContact O-C 3.56Å; Y72-V118 WeakPolarHBondContact O-CA 3.38Å; Y72-V119 PolarHBondContact O-N 3.35Å
73	L	98.1	Very high	93.5	Very high	5 Å²	5	62.9 Å²	62.9	3%	0.026	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	115.7	176.8	177.3	63.4	0	0	0	110.7	A51 F52 A56 I75 G93 M94 I95 V119 V121	A51-L73 HydrophobicContact CB-CD1 3.98Å; A51-L73 HydrophobicContact CB-CD2 4.38Å; F52-L73 HydrophobicContact CB-CD2 4.34Å; A56-L73 HydrophobicContact CB-CB 4.44Å; A56-L73 HydrophobicContact CB-CD2 4.1Å; L73-I75 HydrophobicContact CD2-CG2 4.44Å; L73-I75 HydrophobicContact CG-CG2 4.12Å; L73-G93 PolarHBondContact N-O 3.41Å; L73-M94 HydrophobicContact CB-CG 3.99Å; L73-M94 HydrophobicContact CD2-CG 4.23Å; L73-M94 HydrophobicContact CD2-SD 4.28Å; L73-M94 HydrophobicContact CG-CG 4.32Å; L73-M94 CarbonylContact O-C 3.48Å; L73-M94 VanDerWaalsContact O-CA 3.22Å; L73-M94 WeakPolarHBondContact O-CA 3.37Å; L73-I95 PolarHBondContact O-N 2.86Å; L73-V119 HydrophobicContact CD1-CB 4.07Å; L73-V119 HydrophobicContact CD1-CG1 4Å; L73-V121 HydrophobicContact CD1-CG2 4.33Å
74	A	97.8	Very high	93.5	Very high	5 Å²	5	68.5 Å²	68.5	4%	0.041	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	119.5	-179.3	0	0	0	0	0	111.8	I95 A97 L102 V119 V120	A74-I95 WeakPolarHBondContact CA-O 3.36Å; A74-I95 HydrophobicContact CB-CD1 4.26Å; A74-I95 HydrophobicContact CB-CG1 3.95Å; A74-A97 HydrophobicContact CB-CB 4Å; A74-L102 HydrophobicContact CB-CD2 3.79Å; A74-V119 WeakPolarHBondContact CB-O 3.4Å; A74-V119 PolarHBondContact N-O 3.15Å; A74-V120 HydrophobicContact CB-CG2 4.04Å
75	I	94.3	Very high	93.6	Very high	32 Å²	32	65 Å²	65	16%	0.164	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	168.7	179.2	70.5	176.2	0	0	0	111.6	L73 K77 H79 F80 L89 M94 I95 A97	L73-I75 HydrophobicContact CD2-CG2 4.44Å; L73-I75 HydrophobicContact CG-CG2 4.12Å; I75-K77 PolarHBondContact O-N 3.19Å; I75-H79 HydrophobicContact CD1-CB 3.83Å; I75-H79 HydrophobicContact CG1-CB 4.42Å; I75-F80 HydrophobicContact CD1-CE2 3.91Å; I75-F80 HydrophobicContact CD1-CZ 4.08Å; I75-F80 HydrophobicContact CG1-CE2 3.46Å; I75-F80 VanDerWaalsContact CG1-CE2 3.46Å; I75-F80 HydrophobicContact CG1-CZ 3.88Å; I75-L89 HydrophobicContact CD1-CD1 4.01Å; I75-L89 HydrophobicContact CD1-CD2 4.07Å; I75-M94 HydrophobicContact CD1-CB 4.34Å; I75-M94 HydrophobicContact CD1-SD 3.9Å; I75-M94 HydrophobicContact CG2-SD 4.21Å; I75-I95 PolarHBondContact N-O 3.19Å; I75-A97 WeakPolarHBondContact O-CB 3.47Å; I75-A97 PolarHBondContact O-N 2.99Å
76	L	92.6	Very high	93.8	Very high	61 Å²	61	68.6 Å²	68.6	32%	0.319	35%	0.352	S	S	.	.			trans	-55.5	132	-178.6	179.5	71	0	0	0	112	A78 H79 T192 V193	L76-A78 HydrophobicContact CD2-CB 3.87Å; L76-A78 HydrophobicContact CG-CB 4.05Å; L76-A78 PolarHBondContact O-N 3.18Å; L76-H79 WeakPolarHBondContact O-CB 3.16Å; L76-H79 PolarHBondContact O-N 3.32Å; L76-H79 PolarHBondContact O-ND1 3.25Å; L76-T192 HydrophobicContact CD1-CG2 4.43Å; L76-V193 HydrophobicContact CD2-CG2 3.46Å; L76-V193 VanDerWaalsContact CD2-CG2 3.46Å
77	K	93.1	Very high	94	Very high	143 Å²	143	72.1 Å²	72.1	62%	0.622	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-51.5	-32.4	-179.4	-177.6	-175.4	174.6	-172.3	0	113.8	I75 H79 F80 A96 T98	I75-K77 PolarHBondContact O-N 3.19Å; K77-H79 PolarHBondContact O-N 3.39Å; K77-F80 PolarHBondContact O-N 3.32Å; K77-A96 HydrophobicContact CB-CB 4.26Å; K77-A96 HydrophobicContact CG-CB 4.36Å; K77-T98 HydrophobicContact CB-CG2 4.31Å; K77-T98 HydrophobicContact CD-CG2 4.07Å; K77-T98 HydrophobicContact CG-CG2 4.34Å
78	A	91.1	Very high	94.2	Very high	50 Å²	50	73.7 Å²	73.7	41%	0.413	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-57.4	-29.4	-179.7	0	0	0	0	0	113.3	L76 F80 I81	L76-A78 HydrophobicContact CD2-CB 3.87Å; L76-A78 HydrophobicContact CG-CB 4.05Å; L76-A78 PolarHBondContact O-N 3.18Å; A78-F80 PolarHBondContact O-N 2.83Å; A78-I81 HydrophobicContact CB-CD1 4.34Å; A78-I81 WeakPolarHBondContact O-CG1 3.36Å; A78-I81 PolarHBondContact O-N 3.06Å
79	H	91	Very high	94.4	Very high	71 Å²	71	68.3 Å²	68.3	33%	0.329	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-64.9	-18.3	176	-63.3	101.9	0	0	0	113.4	I75 L76 K77 Y85 L89	I75-H79 HydrophobicContact CD1-CB 3.83Å; I75-H79 HydrophobicContact CG1-CB 4.42Å; L76-H79 WeakPolarHBondContact O-CB 3.16Å; L76-H79 PolarHBondContact O-N 3.32Å; L76-H79 PolarHBondContact O-ND1 3.25Å; K77-H79 PolarHBondContact O-N 3.39Å; H79-Y85 HydrophobicContact CB-CE1 3.93Å; H79-Y85 AromaticContact CD2-CE1 3.89Å; H79-Y85 WeakPolarHBondContact O-CD1 3.49Å; H79-L89 HydrophobicContact CB-CD1 3.7Å; H79-L89 WeakPolarHBondContact O-CD1 3.3Å
80	F	93.9	Very high	94.5	Very high	34 Å²	34	72.2 Å²	72.2	15%	0.149	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-96	10.1	-177.7	-63.7	-94	0	0	0	113.4	I75 K77 A78 R86 L89 M90 M94 I95 A96	I75-F80 HydrophobicContact CD1-CE2 3.91Å; I75-F80 HydrophobicContact CD1-CZ 4.08Å; I75-F80 HydrophobicContact CG1-CE2 3.46Å; I75-F80 VanDerWaalsContact CG1-CE2 3.46Å; I75-F80 HydrophobicContact CG1-CZ 3.88Å; K77-F80 PolarHBondContact O-N 3.32Å; A78-F80 PolarHBondContact O-N 2.83Å; F80-R86 HydrophobicContact CB-CG 3.9Å; F80-R86 HydrophobicContact CD1-CG 3.67Å; F80-R86 HydrophobicContact CG-CG 4.25Å; F80-L89 HydrophobicContact CE1-CB 4.23Å; F80-M90 HydrophobicContact CD1-CG 4.26Å; F80-M90 HydrophobicContact CE1-CG 3.9Å; F80-M94 HydrophobicContact CZ-CB 4.31Å; F80-I95 VanDerWaalsContact CE2-C 3.46Å; F80-A96 HydrophobicContact CD2-CB 3.81Å; F80-A96 HydrophobicContact CE2-CB 3.92Å; F80-A96 HydrophobicContact CG-CB 4.41Å
81	I	93.4	Very high	94.5	Very high	139 Å²	139	74 Å²	74	71%	0.713	37%	0.37	S	S	*	.	S	Bend	trans	-74.9	-47.3	-178.9	-65.2	171.5	0	0	0	111.6	A78	A78-I81 HydrophobicContact CB-CD1 4.34Å; A78-I81 WeakPolarHBondContact O-CG1 3.36Å; A78-I81 PolarHBondContact O-N 3.06Å
82	A	92.7	Very high	94.3	Very high	52 Å²	52	75.6 Å²	75.6	43%	0.43	37%	0.374	S	S	.	.	S	Bend	trans	-82.2	123.8	-178.2	0	0	0	0	0	110.5	F84 Y85 R86	A82-F84 PolarHBondContact O-N 3.33Å; A82-Y85 PolarHBondContact O-N 3.31Å; A82-R86 WeakPolarHBondContact O-CB 3.28Å; A82-R86 PolarHBondContact O-N 2.85Å
83	P	92.3	Very high	94.2	Very high	71 Å²	71	75.2 Å²	75.2	46%	0.461	38%	0.379	S	S	.	.	H	α-helix	trans	-62.2	-44.7	-166.4	21.7	-33.2	0	0	0	114.5	R86 D87	P83-R86 WeakPolarHBondContact O-CB 3.37Å; P83-R86 PolarHBondContact O-N 2.83Å; P83-D87 VanDerWaalsContact O-CG 3.25Å; P83-D87 PolarHBondContact O-N 2.76Å
84	F	94.3	Very high	94.2	Very high	182 Å²	182	75.4 Å²	75.4	80%	0.798	38%	0.38	S	S	*	.	H	α-helix	trans	-68.1	-39.4	179.6	-61.9	-66.1	0	0	0	112.7	A82 F88	A82-F84 PolarHBondContact O-N 3.33Å; F84-F88 WeakPolarHBondContact O-CB 3.44Å; F84-F88 PolarHBondContact O-N 3.39Å
85	Y	93.3	Very high	94.1	Very high	109 Å²	109	76.6 Å²	76.6	43%	0.427	39%	0.385	S	S	.	.	H	α-helix	trans	-68.9	-41.3	176	-176.1	-123.3	0	0	0	111	H79 A82 D87 F88 L89	H79-Y85 HydrophobicContact CB-CE1 3.93Å; H79-Y85 AromaticContact CD2-CE1 3.89Å; H79-Y85 WeakPolarHBondContact O-CD1 3.49Å; A82-Y85 PolarHBondContact O-N 3.31Å; Y85-D87 PolarHBondContact O-N 2.85Å; Y85-F88 WeakPolarHBondContact O-CB 3.21Å; Y85-F88 PolarHBondContact O-N 2.77Å; Y85-L89 HydrophobicContact CD1-CD1 3.8Å; Y85-L89 HydrophobicContact CD2-CG 4.4Å; Y85-L89 HydrophobicContact CE1-CD1 3.55Å; Y85-L89 HydrophobicContact CE1-CD2 4.5Å; Y85-L89 HydrophobicContact CE1-CG 4.29Å; Y85-L89 HydrophobicContact CE2-CD1 4.28Å; Y85-L89 HydrophobicContact CE2-CD2 4.03Å; Y85-L89 HydrophobicContact CE2-CG 4.14Å; Y85-L89 HydrophobicContact CG-CD1 4.27Å; Y85-L89 WeakPolarHBondContact O-CG 3.03Å; Y85-L89 PolarHBondContact O-N 3.1Å
86	R	95.4	Very high	94.2	Very high	99 Å²	99	76.2 Å²	76.2	37%	0.374	39%	0.387	S	S	.	.	H	α-helix	trans	-53.7	-51.6	172.8	-177.6	-161.4	70.2	-174.8	-2	111.5	F80 A82 P83 L89 M90	F80-R86 HydrophobicContact CB-CG 3.9Å; F80-R86 HydrophobicContact CD1-CG 3.67Å; F80-R86 HydrophobicContact CG-CG 4.25Å; A82-R86 WeakPolarHBondContact O-CB 3.28Å; A82-R86 PolarHBondContact O-N 2.85Å; P83-R86 WeakPolarHBondContact O-CB 3.37Å; P83-R86 PolarHBondContact O-N 2.83Å; R86-L89 PolarHBondContact O-N 2.88Å; R86-M90 HydrophobicContact CG-SD 3.96Å; R86-M90 VanDerWaalsContact O-CG 3.31Å; R86-M90 WeakPolarHBondContact O-CG 3.39Å; R86-M90 PolarHBondContact O-N 2.99Å
87	D	94.9	Very high	94.4	Very high	76 Å²	76	75.6 Å²	75.6	41%	0.406	39%	0.391	S	S	.	.	H	α-helix	trans	-68.7	-37.4	-176.6	-66.3	-5.7	0	0	0	111.1	P83 Y85 L89 M90 L91	P83-D87 VanDerWaalsContact O-CG 3.25Å; P83-D87 PolarHBondContact O-N 2.76Å; Y85-D87 PolarHBondContact O-N 2.85Å; D87-L89 VanDerWaalsContact C-N 3.34Å; D87-L89 PolarHBondContact O-N 2.86Å; D87-M90 PolarHBondContact O-N 3.36Å; D87-L91 PolarHBondContact O-N 3.43Å
88	F	94.4	Very high	94.5	Very high	112 Å²	112	71 Å²	71	49%	0.491	37%	0.374	S	S	.	.	H	α-helix	trans	-58.1	-45.1	170.4	176.7	-97.2	0	0	0	111.9	F84 Y85 L91 F92	F84-F88 WeakPolarHBondContact O-CB 3.44Å; F84-F88 PolarHBondContact O-N 3.39Å; Y85-F88 WeakPolarHBondContact O-CB 3.21Å; Y85-F88 PolarHBondContact O-N 2.77Å; F88-L91 WeakPolarHBondContact O-CB 3.44Å; F88-L91 PolarHBondContact O-N 2.73Å; F88-F92 HydrophobicContact CD1-CE2 4.35Å; F88-F92 HydrophobicContact CD2-CE2 4.19Å; F88-F92 HydrophobicContact CE1-CD2 4.31Å; F88-F92 AromaticContact CE1-CE2 3.82Å; F88-F92 HydrophobicContact CE1-CE2 3.82Å; F88-F92 AromaticContact CE2-CE2 3.66Å; F88-F92 HydrophobicContact CE2-CE2 3.66Å; F88-F92 HydrophobicContact CE2-CZ 4.35Å; F88-F92 HydrophobicContact CZ-CD2 4.37Å; F88-F92 AromaticContact CZ-CE2 3.46Å; F88-F92 HydrophobicContact CZ-CE2 3.46Å; F88-F92 VanDerWaalsContact CZ-CE2 3.46Å; F88-F92 HydrophobicContact CZ-CZ 4.21Å; F88-F92 VanDerWaalsContact O-CD2 3.27Å; F88-F92 WeakPolarHBondContact O-CD2 3.38Å
89	L	95.4	Very high	94.7	Very high	6 Å²	6	76.6 Å²	76.6	3%	0.031	39%	0.389	C	S	.	.	H	α-helix	trans	-65.6	-43.6	178.2	-65.8	165.2	0	0	0	111.8	I75 H79 F80 Y85 R86 D87 L91 F92 M94	I75-L89 HydrophobicContact CD1-CD1 4.01Å; I75-L89 HydrophobicContact CD1-CD2 4.07Å; H79-L89 HydrophobicContact CB-CD1 3.7Å; H79-L89 WeakPolarHBondContact O-CD1 3.3Å; F80-L89 HydrophobicContact CE1-CB 4.23Å; Y85-L89 HydrophobicContact CD1-CD1 3.8Å; Y85-L89 HydrophobicContact CD2-CG 4.4Å; Y85-L89 HydrophobicContact CE1-CD1 3.55Å; Y85-L89 HydrophobicContact CE1-CD2 4.5Å; Y85-L89 HydrophobicContact CE1-CG 4.29Å; Y85-L89 HydrophobicContact CE2-CD1 4.28Å; Y85-L89 HydrophobicContact CE2-CD2 4.03Å; Y85-L89 HydrophobicContact CE2-CG 4.14Å; Y85-L89 HydrophobicContact CG-CD1 4.27Å; Y85-L89 WeakPolarHBondContact O-CG 3.03Å; Y85-L89 PolarHBondContact O-N 3.1Å; R86-L89 PolarHBondContact O-N 2.88Å; D87-L89 VanDerWaalsContact C-N 3.34Å; D87-L89 PolarHBondContact O-N 2.86Å; L89-L91 PolarHBondContact O-N 2.93Å; L89-F92 PolarHBondContact O-N 3.36Å; L89-F92 VanDerWaalsContact O-N 3.13Å; L89-M94 HydrophobicContact CB-CB 4.25Å; L89-M94 HydrophobicContact CB-CE 3.93Å; L89-M94 HydrophobicContact CD2-CE 3.25Å; L89-M94 HydrophobicContact CD2-SD 3.89Å; L89-M94 HydrophobicContact CG-CE 4.17Å; L89-M94 WeakPolarHBondContact O-CB 3.46Å; L89-M94 PolarHBondContact O-N 2.6Å
90	M	95.7	Very high	95	Very high	106 Å²	106	81.9 Å²	81.9	52%	0.522	41%	0.412	S	S	.	.	H	α-helix	trans	-64.1	-29.3	179.2	-72.4	175.4	57.9	0	0	112.7	F80 R86 D87 F92 G93	F80-M90 HydrophobicContact CD1-CG 4.26Å; F80-M90 HydrophobicContact CE1-CG 3.9Å; R86-M90 HydrophobicContact CG-SD 3.96Å; R86-M90 VanDerWaalsContact O-CG 3.31Å; R86-M90 WeakPolarHBondContact O-CG 3.39Å; R86-M90 PolarHBondContact O-N 2.99Å; D87-M90 PolarHBondContact O-N 3.36Å; M90-F92 PolarHBondContact O-N 3.2Å; M90-G93 PolarHBondContact O-N 3.45Å
91	L	95	Very high	95.1	Very high	141 Å²	141	81.5 Å²	81.5	74%	0.738	42%	0.417	S	S	*	.	H	α-helix	trans	-58.8	-34.7	173.9	-176.1	65.7	0	0	0	112.2	D87 F88 L89 G93	D87-L91 PolarHBondContact O-N 3.43Å; F88-L91 WeakPolarHBondContact O-CB 3.44Å; F88-L91 PolarHBondContact O-N 2.73Å; L89-L91 PolarHBondContact O-N 2.93Å; L91-G93 VanDerWaalsContact C-N 3.26Å; L91-G93 PolarHBondContact O-N 3.41Å
92	F	94.2	Very high	95.3	Very high	65 Å²	65	75.7 Å²	75.7	29%	0.285	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	14.3	176	-68.1	-74.2	0	0	0	113.4	F52 A56 T57 F88 L89 M90 M94	F52-F92 HydrophobicContact CE2-CB 4.45Å; F52-F92 HydrophobicContact CE2-CD2 4.46Å; F52-F92 HydrophobicContact CE2-CG 4.27Å; F52-F92 HydrophobicContact CZ-CD1 4.49Å; F52-F92 HydrophobicContact CZ-CG 4.49Å; A56-F92 WeakPolarHBondContact CA-O 3.46Å; A56-F92 HydrophobicContact CB-CB 4.08Å; A56-F92 WeakPolarHBondContact O-CB 3.37Å; A56-F92 VanDerWaalsContact O-CD1 3.3Å; A56-F92 WeakPolarHBondContact O-CD1 3.41Å; T57-F92 HydrophobicContact CG2-CD1 4.17Å; T57-F92 HydrophobicContact CG2-CE1 4.33Å; F88-F92 HydrophobicContact CD1-CE2 4.35Å; F88-F92 HydrophobicContact CD2-CE2 4.19Å; F88-F92 HydrophobicContact CE1-CD2 4.31Å; F88-F92 AromaticContact CE1-CE2 3.82Å; F88-F92 HydrophobicContact CE1-CE2 3.82Å; F88-F92 AromaticContact CE2-CE2 3.66Å; F88-F92 HydrophobicContact CE2-CE2 3.66Å; F88-F92 HydrophobicContact CE2-CZ 4.35Å; F88-F92 HydrophobicContact CZ-CD2 4.37Å; F88-F92 AromaticContact CZ-CE2 3.46Å; F88-F92 HydrophobicContact CZ-CE2 3.46Å; F88-F92 VanDerWaalsContact CZ-CE2 3.46Å; F88-F92 HydrophobicContact CZ-CZ 4.21Å; F88-F92 VanDerWaalsContact O-CD2 3.27Å; F88-F92 WeakPolarHBondContact O-CD2 3.38Å; L89-F92 PolarHBondContact O-N 3.36Å; L89-F92 VanDerWaalsContact O-N 3.13Å; M90-F92 PolarHBondContact O-N 3.2Å; F92-M94 HydrophobicContact CB-CE 3.89Å; F92-M94 HydrophobicContact CD2-CE 4.34Å; F92-M94 HydrophobicContact CG-CE 4.48Å; F92-M94 PolarHBondContact O-N 3.05Å
93	G	95.1	Very high	95.6	Very high	21 Å²	21	75.9 Å²	75.9	22%	0.216	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.1	14.4	-178.3	0	0	0	0	0	114.1	Y72 L73 M90 L91	Y72-G93 WeakPolarHBondContact CA-O 3.38Å; L73-G93 PolarHBondContact N-O 3.41Å; M90-G93 PolarHBondContact O-N 3.45Å; L91-G93 VanDerWaalsContact C-N 3.26Å; L91-G93 PolarHBondContact O-N 3.41Å
94	M	97.2	Very high	95.9	Very high	9 Å²	9	78.4 Å²	78.4	4%	0.044	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	142.1	175.2	-72.5	-179.5	-80.5	0	0	111.9	F52 A56 L73 I75 F80 L89 F92	F52-M94 HydrophobicContact CD2-CE 3.99Å; F52-M94 HydrophobicContact CD2-SD 4.06Å; F52-M94 HydrophobicContact CE2-CE 3.65Å; F52-M94 HydrophobicContact CE2-SD 4.33Å; A56-M94 HydrophobicContact CB-CG 4.25Å; L73-M94 HydrophobicContact CB-CG 3.99Å; L73-M94 HydrophobicContact CD2-CG 4.23Å; L73-M94 HydrophobicContact CD2-SD 4.28Å; L73-M94 HydrophobicContact CG-CG 4.32Å; L73-M94 CarbonylContact O-C 3.48Å; L73-M94 VanDerWaalsContact O-CA 3.22Å; L73-M94 WeakPolarHBondContact O-CA 3.37Å; I75-M94 HydrophobicContact CD1-CB 4.34Å; I75-M94 HydrophobicContact CD1-SD 3.9Å; I75-M94 HydrophobicContact CG2-SD 4.21Å; F80-M94 HydrophobicContact CZ-CB 4.31Å; L89-M94 HydrophobicContact CB-CB 4.25Å; L89-M94 HydrophobicContact CB-CE 3.93Å; L89-M94 HydrophobicContact CD2-CE 3.25Å; L89-M94 HydrophobicContact CD2-SD 3.89Å; L89-M94 HydrophobicContact CG-CE 4.17Å; L89-M94 WeakPolarHBondContact O-CB 3.46Å; L89-M94 PolarHBondContact O-N 2.6Å; F92-M94 HydrophobicContact CB-CE 3.89Å; F92-M94 HydrophobicContact CD2-CE 4.34Å; F92-M94 HydrophobicContact CG-CE 4.48Å; F92-M94 PolarHBondContact O-N 3.05Å
95	I	97.3	Very high	96	Very high	29 Å²	29	70.5 Å²	70.5	15%	0.149	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	158.3	-178.3	63.1	172.4	0	0	0	111.2	Y72 L73 A74 I75 F80 A97 L102 L105 V118	Y72-I95 HydrophobicContact CD1-CG2 3.68Å; Y72-I95 HydrophobicContact CE1-CG2 4.37Å; Y72-I95 HydrophobicContact CG-CG2 4.46Å; L73-I95 PolarHBondContact O-N 2.86Å; A74-I95 WeakPolarHBondContact CA-O 3.36Å; A74-I95 HydrophobicContact CB-CD1 4.26Å; A74-I95 HydrophobicContact CB-CG1 3.95Å; I75-I95 PolarHBondContact N-O 3.19Å; F80-I95 VanDerWaalsContact CE2-C 3.46Å; I95-A97 PolarHBondContact O-N 3.1Å; I95-L102 HydrophobicContact CD1-CD2 3.85Å; I95-L105 HydrophobicContact CD1-CD1 3.43Å; I95-L105 VanDerWaalsContact CD1-CD1 3.43Å; I95-L105 HydrophobicContact CG2-CD1 4.19Å; I95-V118 HydrophobicContact CD1-CG1 4.05Å
96	A	96.6	Very high	96.2	Very high	24 Å²	24	65.4 Å²	65.4	20%	0.198	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	127.3	172.4	0	0	0	0	0	110.4	K77 F80 T98	K77-A96 HydrophobicContact CB-CB 4.26Å; K77-A96 HydrophobicContact CG-CB 4.36Å; F80-A96 HydrophobicContact CD2-CB 3.81Å; F80-A96 HydrophobicContact CE2-CB 3.92Å; F80-A96 HydrophobicContact CG-CB 4.41Å; A96-T98 HydrophobicContact CB-CG2 3.95Å; A96-T98 PolarHBondContact O-N 3.4Å
97	A	95.3	Very high	96.3	Very high	49 Å²	49	61.3 Å²	61.3	41%	0.405	31%	0.312	S	S	.	.			trans	-69.8	61.9	175.8	0	0	0	0	0	112.1	A74 I75 I95	A74-A97 HydrophobicContact CB-CB 4Å; I75-A97 WeakPolarHBondContact O-CB 3.47Å; I75-A97 PolarHBondContact O-N 2.99Å; I95-A97 PolarHBondContact O-N 3.1Å
98	T	95.6	Very high	96.3	Very high	45 Å²	45	62.8 Å²	62.8	28%	0.276	32%	0.315	S	S	.	.			trans	-106.8	144.2	179.3	65.4	0	0	0	0	110	K77 A96 K100 G101 L102	K77-T98 HydrophobicContact CB-CG2 4.31Å; K77-T98 HydrophobicContact CD-CG2 4.07Å; K77-T98 HydrophobicContact CG-CG2 4.34Å; A96-T98 HydrophobicContact CB-CG2 3.95Å; A96-T98 PolarHBondContact O-N 3.4Å; T98-K100 PolarHBondContact O-N 2.76Å; T98-G101 PolarHBondContact O-N 3.23Å; T98-G101 VanDerWaalsContact O-N 3.17Å; T98-G101 PolarHBondContact OG1-N 2.98Å; T98-G101 VanDerWaalsContact OG1-N 3.13Å; T98-L102 WeakPolarHBondContact O-CB 3.47Å; T98-L102 WeakPolarHBondContact O-CG 3.37Å; T98-L102 PolarHBondContact O-N 2.82Å
99	K	95.7	Very high	96.4	Very high	168 Å²	168	62.7 Å²	62.7	73%	0.73	32%	0.319	S	S	*	.	H	α-helix	trans	-51	-45.1	177.3	-176.4	-179.7	177.6	-176.7	0	112.3	H103	K99-H103 WeakPolarHBondContact O-CB 3.43Å; K99-H103 PolarHBondContact O-N 2.92Å
100	K	96.6	Very high	96.4	Very high	183 Å²	183	64.7 Å²	64.7	80%	0.796	33%	0.334	S	S	*	.	H	α-helix	trans	-66.9	-46	-179.9	-173.7	178.7	178.6	-179.7	0	112.2	T98 Y104	T98-K100 PolarHBondContact O-N 2.76Å; K100-Y104 WeakPolarHBondContact O-CB 3.4Å; K100-Y104 PolarHBondContact O-N 3.32Å
101	G	96.7	Very high	96.4	Very high	26 Å²	26	60.1 Å²	60.1	27%	0.268	31%	0.312	S	S	.	.	H	α-helix	trans	-66.6	-45.4	-178.9	0	0	0	0	0	112.6	T98 Y104 L105	T98-G101 PolarHBondContact O-N 3.23Å; T98-G101 VanDerWaalsContact O-N 3.17Å; T98-G101 PolarHBondContact OG1-N 2.98Å; T98-G101 VanDerWaalsContact OG1-N 3.13Å; G101-Y104 PolarHBondContact O-N 3.07Å; G101-L105 PolarHBondContact O-N 3.1Å
102	L	98.2	Very high	96.4	Very high	16 Å²	16	62.4 Å²	62.4	8%	0.084	32%	0.316	C	S	.	.	H	α-helix	trans	-64.8	-44.7	177.2	-61.9	174.2	0	0	0	111.3	A74 I95 T98 Y104 L105 L106 V118 V120 L149	A74-L102 HydrophobicContact CB-CD2 3.79Å; I95-L102 HydrophobicContact CD1-CD2 3.85Å; T98-L102 WeakPolarHBondContact O-CB 3.47Å; T98-L102 WeakPolarHBondContact O-CG 3.37Å; T98-L102 PolarHBondContact O-N 2.82Å; L102-Y104 VanDerWaalsContact C-N 3.34Å; L102-Y104 PolarHBondContact O-N 3.39Å; L102-L105 PolarHBondContact O-N 3.46Å; L102-L106 HydrophobicContact CB-CD1 4.49Å; L102-L106 WeakPolarHBondContact O-CB 3.41Å; L102-L106 WeakPolarHBondContact O-CD1 3.45Å; L102-L106 VanDerWaalsContact O-CG 3.27Å; L102-L106 WeakPolarHBondContact O-CG 3.09Å; L102-L106 PolarHBondContact O-N 2.92Å; L102-V118 HydrophobicContact CD2-CG1 3.67Å; L102-V120 HydrophobicContact CD1-CG2 4.34Å; L102-V120 HydrophobicContact CD2-CG2 4.27Å; L102-L149 HydrophobicContact CB-CD2 3.55Å; L102-L149 HydrophobicContact CD1-CD2 4.22Å
103	H	98.1	Very high	96.4	Very high	57 Å²	57	62.8 Å²	62.8	26%	0.264	32%	0.319	S	S	.	.	H	α-helix	trans	-60.2	-43.1	175.8	-172	-61.6	0	0	0	112.3	K99 L105 L106 D107 L149	K99-H103 WeakPolarHBondContact O-CB 3.43Å; K99-H103 PolarHBondContact O-N 2.92Å; H103-L105 PolarHBondContact O-N 2.91Å; H103-L106 PolarHBondContact O-N 3.48Å; H103-D107 IonicContact CE1-OD2 2.97Å; H103-D107 VanDerWaalsContact O-CB 3.28Å; H103-D107 WeakPolarHBondContact O-CB 3.31Å; H103-D107 PolarHBondContact O-N 2.93Å; H103-L149 HydrophobicContact CB-CD1 3.85Å
104	Y	98	Very high	96.5	Very high	124 Å²	124	64.5 Å²	64.5	49%	0.486	33%	0.325	S	S	.	.	H	α-helix	trans	-57.2	-48.7	178.6	172	-98.8	0	0	0	111.7	K100 G101 L102 S110 C111	K100-Y104 WeakPolarHBondContact O-CB 3.4Å; K100-Y104 PolarHBondContact O-N 3.32Å; G101-Y104 PolarHBondContact O-N 3.07Å; L102-Y104 VanDerWaalsContact C-N 3.34Å; L102-Y104 PolarHBondContact O-N 3.39Å; Y104-S110 WeakPolarHBondContact CE2-O 3.19Å; Y104-C111 HydrophobicContact CD1-CB 4.31Å; Y104-C111 HydrophobicContact CE1-CB 3.94Å; Y104-C111 HydrophobicContact CE2-CB 4.31Å; Y104-C111 WeakPolarHBondContact O-CB 3.34Å; Y104-C111 PolarHBondContact O-N 2.89Å; Y104-C111 PolarHBondContact O-SG 3.17Å; Y104-C111 VanDerWaalsContact O-SG 3.41Å
105	L	97.6	Very high	96.4	Very high	15 Å²	15	64.3 Å²	64.3	8%	0.079	33%	0.325	C	S	.	.	H	α-helix	trans	-72	-30.3	-179.2	-72.7	172.7	0	0	0	113.6	N36 Y72 I95 G101 L102 H103 C111 N116 V118	N36-L105 PolarHBondContact ND2-O 3.41Å; Y72-L105 HydrophobicContact CD1-CD1 4.15Å; Y72-L105 HydrophobicContact CD2-CD1 4.33Å; Y72-L105 HydrophobicContact CE1-CD1 4.37Å; Y72-L105 HydrophobicContact CE1-CD2 4.44Å; Y72-L105 HydrophobicContact CE2-CD2 4.13Å; Y72-L105 HydrophobicContact CG-CD1 4.09Å; I95-L105 HydrophobicContact CD1-CD1 3.43Å; I95-L105 VanDerWaalsContact CD1-CD1 3.43Å; I95-L105 HydrophobicContact CG2-CD1 4.19Å; G101-L105 PolarHBondContact O-N 3.1Å; L102-L105 PolarHBondContact O-N 3.46Å; H103-L105 PolarHBondContact O-N 2.91Å; L105-C111 PolarHBondContact O-SG 3.47Å; L105-N116 PolarHBondContact O-ND2 3.3Å; L105-V118 HydrophobicContact CB-CG2 4.14Å
106	L	98.1	Very high	96.4	Very high	2 Å²	2	63 Å²	63	1%	0.01	32%	0.319	C	S	.	.	H	α-helix	trans	-86.2	-29.4	-177.5	-69.4	167.1	0	0	0	113	N36 L38 L102 H103 K108 V118 L149 T153	N36-L106 HydrophobicContact CB-CD2 4.27Å; N36-L106 PolarHBondContact ND2-O 3.14Å; L38-L106 HydrophobicContact CB-CD1 4.13Å; L38-L106 HydrophobicContact CB-CD2 3.93Å; L38-L106 HydrophobicContact CD1-CD1 3.88Å; L38-L106 HydrophobicContact CD2-CD1 3.98Å; L38-L106 HydrophobicContact CG-CD1 4.19Å; L102-L106 HydrophobicContact CB-CD1 4.49Å; L102-L106 WeakPolarHBondContact O-CB 3.41Å; L102-L106 WeakPolarHBondContact O-CD1 3.45Å; L102-L106 VanDerWaalsContact O-CG 3.27Å; L102-L106 WeakPolarHBondContact O-CG 3.09Å; L102-L106 PolarHBondContact O-N 2.92Å; H103-L106 PolarHBondContact O-N 3.48Å; L106-K108 PolarHBondContact O-N 3.34Å; L106-V118 HydrophobicContact CD2-CB 3.92Å; L106-V118 HydrophobicContact CD2-CG2 3.75Å; L106-V118 HydrophobicContact CG-CB 4.44Å; L106-V118 HydrophobicContact CG-CG2 4.17Å; L106-L149 HydrophobicContact CD1-CD2 3.64Å; L106-L149 HydrophobicContact CD1-CG 3.87Å; L106-T153 HydrophobicContact CB-CG2 3.88Å
107	D	97.1	Very high	96.4	Very high	14 Å²	14	61.9 Å²	61.9	8%	0.075	31%	0.309	C	S	.	.			trans	-82.6	111.2	176	174.2	20.9	0	0	0	111	H103 N109 S110 C111 T153	H103-D107 IonicContact CE1-OD2 2.97Å; H103-D107 VanDerWaalsContact O-CB 3.28Å; H103-D107 WeakPolarHBondContact O-CB 3.31Å; H103-D107 PolarHBondContact O-N 2.93Å; D107-N109 PolarHBondContact O-N 3.47Å; D107-N109 VanDerWaalsContact O-N 3.16Å; D107-N109 WeakPolarHBondContact OD1-CB 3.28Å; D107-N109 PolarHBondContact OD1-N 3.1Å; D107-N109 PolarHBondContact OD1-ND2 2.99Å; D107-S110 WeakPolarHBondContact O-CB 3.43Å; D107-S110 PolarHBondContact O-N 3.31Å; D107-S110 WeakPolarHBondContact OD2-CB 3.41Å; D107-S110 PolarHBondContact OD2-N 2.95Å; D107-S110 PolarHBondContact OD2-OG 3.36Å; D107-C111 PolarHBondContact O-N 3.46Å; D107-C111 PolarHBondContact O-SG 3.45Å; D107-T153 HydrophobicContact CB-CG2 4.09Å
108	K	95.2	Very high	96.6	Very high	107 Å²	107	59.6 Å²	59.6	47%	0.465	29%	0.29	S	S	.	.	H	α-helix	trans	-55.9	-30.8	178.7	66.2	-178.4	179.1	-177.3	0	113	L106 K112 T114	L106-K108 PolarHBondContact O-N 3.34Å; K108-K112 WeakPolarHBondContact O-CA 3.49Å; K108-K112 PolarHBondContact O-N 2.98Å; K108-T114 HydrophobicContact CB-CG2 4Å
109	N	94.9	Very high	96.7	Very high	109 Å²	109	57.4 Å²	57.4	58%	0.583	28%	0.277	S	S	*	.	H	α-helix	trans	-75.7	-34	179.3	-58.2	-52.8	0	0	0	111.7	D107	D107-N109 PolarHBondContact O-N 3.47Å; D107-N109 VanDerWaalsContact O-N 3.16Å; D107-N109 WeakPolarHBondContact OD1-CB 3.28Å; D107-N109 PolarHBondContact OD1-N 3.1Å; D107-N109 PolarHBondContact OD1-ND2 2.99Å
110	S	95.8	Very high	96.8	Very high	49 Å²	49	50.3 Å²	50.3	34%	0.343	25%	0.247	S	C	.	.	H	α-helix	trans	-73.6	-52.2	179	-71.6	0	0	0	0	112.2	Y104 D107	Y104-S110 WeakPolarHBondContact CE2-O 3.19Å; D107-S110 WeakPolarHBondContact O-CB 3.43Å; D107-S110 PolarHBondContact O-N 3.31Å; D107-S110 WeakPolarHBondContact OD2-CB 3.41Å; D107-S110 PolarHBondContact OD2-N 2.95Å; D107-S110 PolarHBondContact OD2-OG 3.36Å
111	C	95.4	Very high	96.8	Very high	9 Å²	9	42.4 Å²	42.4	6%	0.061	22%	0.215	C	C	.	.	H	α-helix	trans	-87.8	-10.3	-178.2	59.2	0	0	0	0	114.6	Y104 L105 D107 Q113	Y104-C111 HydrophobicContact CD1-CB 4.31Å; Y104-C111 HydrophobicContact CE1-CB 3.94Å; Y104-C111 HydrophobicContact CE2-CB 4.31Å; Y104-C111 WeakPolarHBondContact O-CB 3.34Å; Y104-C111 PolarHBondContact O-N 2.89Å; Y104-C111 PolarHBondContact O-SG 3.17Å; Y104-C111 VanDerWaalsContact O-SG 3.41Å; L105-C111 PolarHBondContact O-SG 3.47Å; D107-C111 PolarHBondContact O-N 3.46Å; D107-C111 PolarHBondContact O-SG 3.45Å; C111-Q113 HydrophobicContact CB-CG 4.04Å; C111-Q113 PolarHBondContact O-N 3.08Å; C111-Q113 PolarHBondContact SG-O 3.08Å; C111-Q113 VanDerWaalsContact SG-O 3.34Å
112	K	95.4	Very high	96.8	Very high	190 Å²	190	41.7 Å²	41.7	83%	0.826	21%	0.205	S	C	*	.	S	Bend	trans	56	26.5	-177.6	-54.7	-177.1	179.7	-178.4	0	113.9	K108	K108-K112 WeakPolarHBondContact O-CA 3.49Å; K108-K112 PolarHBondContact O-N 2.98Å
113	Q	94.6	Very high	96.4	Very high	72 Å²	72	40.9 Å²	40.9	34%	0.336	20%	0.201	S	C	.	.			trans	-143.4	156	177.6	71	-171.5	25.1	0	0	110.1	N36 C111 N116	N36-Q113 PolarHBondContact ND2-O 3.48Å; C111-Q113 HydrophobicContact CB-CG 4.04Å; C111-Q113 PolarHBondContact O-N 3.08Å; C111-Q113 PolarHBondContact SG-O 3.08Å; C111-Q113 VanDerWaalsContact SG-O 3.34Å; Q113-N116 WeakPolarHBondContact CG-ND2 3.42Å; Q113-N116 PolarHBondContact NE2-ND2 3.4Å; Q113-N116 PolarHBondContact NE2-OD1 3.08Å
114	T	96.1	Very high	96.1	Very high	58 Å²	58	38.9 Å²	38.9	36%	0.356	20%	0.195	S	C	.	.			trans	-122.6	175.2	174.4	55.4	0	0	0	0	109.3	T33 D34 N36 K108 N116	T33-T114 WeakPolarHBondContact O-CB 3.48Å; T33-T114 PolarHBondContact O-OG1 2.94Å; D34-T114 VanDerWaalsContact O-CG2 3.29Å; D34-T114 WeakPolarHBondContact O-CG2 3.47Å; N36-T114 VanDerWaalsContact OD1-CA 3.26Å; N36-T114 WeakPolarHBondContact OD1-CA 3.37Å; K108-T114 HydrophobicContact CB-CG2 4Å; T114-N116 VanDerWaalsContact C-N 3.29Å; T114-N116 PolarHBondContact O-N 3.48Å
115	G	95.8	Very high	95.7	Very high	4 Å²	4	34 Å²	34	4%	0.041	18%	0.18	C	C	.	.			trans	74.9	15.6	-177.1	0	0	0	0	0	114.4	T33 V35 N36 F69 K70 F117	T33-G115 PolarHBondContact O-N 2.88Å; V35-G115 PolarHBondContact O-N 3.31Å; N36-G115 PolarHBondContact OD1-N 3.42Å; F69-G115 WeakPolarHBondContact CA-O 3.28Å; F69-G115 WeakPolarHBondContact CD1-O 3.21Å; K70-G115 PolarHBondContact N-O 3.15Å; G115-F117 PolarHBondContact O-N 3.46Å
116	N	97.5	Very high	95.3	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.011	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	127.7	169.4	-63.4	-36.2	0	0	0	109.6	N36 Y37 Y72 L105 Q113 T114 V118	N36-N116 HydrophobicContact CB-CB 4.36Å; N36-N116 VanDerWaalsContact OD1-CB 3.31Å; N36-N116 WeakPolarHBondContact OD1-CB 3.28Å; N36-N116 PolarHBondContact OD1-N 2.88Å; Y37-N116 PolarHBondContact N-O 3.35Å; Y72-N116 HydrophobicContact CD2-CB 4.42Å; Y72-N116 HydrophobicContact CE2-CB 4.38Å; L105-N116 PolarHBondContact O-ND2 3.3Å; Q113-N116 WeakPolarHBondContact CG-ND2 3.42Å; Q113-N116 PolarHBondContact NE2-ND2 3.4Å; Q113-N116 PolarHBondContact NE2-OD1 3.08Å; T114-N116 VanDerWaalsContact C-N 3.29Å; T114-N116 PolarHBondContact O-N 3.48Å; N116-V118 HydrophobicContact CB-CG2 4.18Å
117	F	97.3	Very high	95	Very high	1 Å²	1	34.9 Å²	34.9	0%	0.004	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	86.9	177.6	-163.2	-85	0	0	0	108.9	Y37 V39 F55 F62 F66 F69 K70 P71 Y72 G115 V119 V214	Y37-F117 HydrophobicContact CG-CD2 4.32Å; V39-F117 HydrophobicContact CB-CE1 4.06Å; V39-F117 HydrophobicContact CB-CZ 4.34Å; V39-F117 HydrophobicContact CG1-CE1 4.13Å; V39-F117 HydrophobicContact CG1-CZ 4.3Å; V39-F117 HydrophobicContact CG2-CD1 3.77Å; V39-F117 HydrophobicContact CG2-CD2 4.18Å; V39-F117 HydrophobicContact CG2-CE1 3.3Å; V39-F117 HydrophobicContact CG2-CE2 3.76Å; V39-F117 HydrophobicContact CG2-CG 4.19Å; V39-F117 HydrophobicContact CG2-CZ 3.3Å; F55-F117 HydrophobicContact CD1-CD1 4.41Å; F55-F117 HydrophobicContact CD1-CE1 4.02Å; F55-F117 AromaticContact CE1-CE1 3.77Å; F55-F117 HydrophobicContact CE1-CE1 3.77Å; F62-F117 AromaticContact CE2-CD1 3.97Å; F62-F117 HydrophobicContact CE2-CD1 3.97Å; F62-F117 HydrophobicContact CE2-CE1 4.14Å; F62-F117 HydrophobicContact CE2-CG 4.37Å; F62-F117 HydrophobicContact CZ-CB 4.16Å; F62-F117 HydrophobicContact CZ-CD1 4.05Å; F62-F117 HydrophobicContact CZ-CG 4.02Å; F66-F117 HydrophobicContact CD1-CE2 4.43Å; F66-F117 HydrophobicContact CE1-CE2 4.33Å; F66-F117 HydrophobicContact CZ-CZ 4.43Å; F69-F117 HydrophobicContact CB-CB 4.39Å; F69-F117 HydrophobicContact CD1-CB 4.49Å; F69-F117 HydrophobicContact CD1-CD2 4.42Å; K70-F117 PolarHBondContact O-N 3.3Å; P71-F117 WeakPolarHBondContact CA-O 3.24Å; Y72-F117 PolarHBondContact N-O 3.24Å; G115-F117 PolarHBondContact O-N 3.46Å; F117-V119 HydrophobicContact CD1-CG2 3.72Å; F117-V119 HydrophobicContact CE1-CG2 3.81Å; F117-V214 HydrophobicContact CZ-CG1 4Å
118	V	98.3	Very high	94.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	110	-170.7	-174.7	0	0	0	0	109.9	Y37 V39 Y72 I95 L102 L105 L106 N116	Y37-V118 PolarHBondContact O-N 3.09Å; V39-V118 PolarHBondContact N-O 3.26Å; Y72-V118 HydrophobicContact CD2-CG2 4.47Å; Y72-V118 CarbonylContact O-C 3.56Å; Y72-V118 WeakPolarHBondContact O-CA 3.38Å; I95-V118 HydrophobicContact CD1-CG1 4.05Å; L102-V118 HydrophobicContact CD2-CG1 3.67Å; L105-V118 HydrophobicContact CB-CG2 4.14Å; L106-V118 HydrophobicContact CD2-CB 3.92Å; L106-V118 HydrophobicContact CD2-CG2 3.75Å; L106-V118 HydrophobicContact CG-CB 4.44Å; L106-V118 HydrophobicContact CG-CG2 4.17Å; N116-V118 HydrophobicContact CB-CG2 4.18Å
119	V	98.4	Very high	94.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	124.9	-177.1	-172.6	0	0	0	0	110.1	V39 F41 F55 Y72 L73 A74 F117	V39-V119 HydrophobicContact CB-CG2 4.14Å; V39-V119 HydrophobicContact CG1-CG1 4.47Å; V39-V119 HydrophobicContact CG1-CG2 4.43Å; V39-V119 CarbonylContact O-C 3.58Å; V39-V119 WeakPolarHBondContact O-CA 3.2Å; F41-V119 HydrophobicContact CB-CG1 3.76Å; F55-V119 HydrophobicContact CB-CB 4.49Å; F55-V119 HydrophobicContact CB-CG2 3.92Å; F55-V119 HydrophobicContact CD1-CG2 3.81Å; F55-V119 HydrophobicContact CD2-CB 4.48Å; F55-V119 HydrophobicContact CD2-CG1 3.95Å; F55-V119 HydrophobicContact CD2-CG2 4.09Å; F55-V119 HydrophobicContact CE1-CG2 4.35Å; F55-V119 HydrophobicContact CE2-CG1 4.3Å; F55-V119 HydrophobicContact CG-CB 4.41Å; F55-V119 HydrophobicContact CG-CG1 4.35Å; F55-V119 HydrophobicContact CG-CG2 3.66Å; Y72-V119 PolarHBondContact O-N 3.35Å; L73-V119 HydrophobicContact CD1-CB 4.07Å; L73-V119 HydrophobicContact CD1-CG1 4Å; A74-V119 WeakPolarHBondContact CB-O 3.4Å; A74-V119 PolarHBondContact N-O 3.15Å; F117-V119 HydrophobicContact CD1-CG2 3.72Å; F117-V119 HydrophobicContact CE1-CG2 3.81Å
120	V	98.2	Very high	94.5	Very high	18 Å²	18	24.9 Å²	24.9	11%	0.109	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	125.6	175.5	-177.5	0	0	0	0	108.3	L38 V39 G40 F41 A74 L102 L122 F146	L38-V120 HydrophobicContact CD1-CG2 3.77Å; V39-V120 PolarHBondContact O-N 3.18Å; G40-V120 WeakPolarHBondContact CA-O 3.2Å; F41-V120 PolarHBondContact N-O 3.06Å; A74-V120 HydrophobicContact CB-CG2 4.04Å; L102-V120 HydrophobicContact CD1-CG2 4.34Å; L102-V120 HydrophobicContact CD2-CG2 4.27Å; V120-L122 PolarHBondContact O-N 3.36Å; V120-F146 HydrophobicContact CB-CD2 4.2Å; V120-F146 HydrophobicContact CB-CE2 3.85Å; V120-F146 HydrophobicContact CG1-CD2 4.36Å; V120-F146 HydrophobicContact CG1-CE2 4.47Å; V120-F146 HydrophobicContact CG2-CD2 4.34Å; V120-F146 HydrophobicContact CG2-CE2 4.04Å
121	V	96.6	Very high	94.3	Very high	18 Å²	18	22.7 Å²	22.7	11%	0.109	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	93.6	171.1	-167.4	0	0	0	0	108.4	F41 H44 A48 A51 L73 G123 G124	F41-V121 HydrophobicContact CD1-CG1 4.12Å; F41-V121 HydrophobicContact CD1-CG2 4.27Å; H44-V121 VanDerWaalsContact CA-CG1 3.42Å; H44-V121 HydrophobicContact CB-CG1 3.42Å; H44-V121 VanDerWaalsContact CB-CG1 3.42Å; H44-V121 WeakPolarHBondContact CD2-CG1 3.4Å; H44-V121 VanDerWaalsContact CG-CG1 3.43Å; A48-V121 HydrophobicContact CB-CG1 4.36Å; A48-V121 HydrophobicContact CB-CG2 3.98Å; A51-V121 HydrophobicContact CB-CG2 4.19Å; L73-V121 HydrophobicContact CD1-CG2 4.33Å; V121-G123 PolarHBondContact O-N 3.25Å; V121-G124 PolarHBondContact O-N 2.93Å
122	L	95.4	Very high	94.2	Very high	10 Å²	10	25.4 Å²	25.4	5%	0.052	13%	0.134	C	C	.	.	S	Bend	trans	-71.7	-37.9	-157.2	179.7	56.7	0	0	0	112.9	F41 V120 G124 I140 R143 F146 F147 Y238	F41-L122 PolarHBondContact O-N 2.81Å; V120-L122 PolarHBondContact O-N 3.36Å; L122-G124 VanDerWaalsContact C-N 3.3Å; L122-G124 PolarHBondContact O-N 2.78Å; L122-I140 HydrophobicContact CD2-CG1 4.22Å; L122-R143 HydrophobicContact CD1-CB 3.82Å; L122-R143 HydrophobicContact CD1-CG 4.05Å; L122-R143 HydrophobicContact CG-CB 4.38Å; L122-R143 HydrophobicContact CG-CG 4.36Å; L122-R143 PolarHBondContact O-NE 2.93Å; L122-F146 HydrophobicContact CD1-CB 3.56Å; L122-F146 HydrophobicContact CD1-CD1 4.04Å; L122-F146 HydrophobicContact CD1-CD2 3.83Å; L122-F146 HydrophobicContact CD1-CG 3.55Å; L122-F146 HydrophobicContact CD2-CD1 3.79Å; L122-F146 HydrophobicContact CD2-CE1 3.98Å; L122-F146 HydrophobicContact CD2-CG 4.18Å; L122-F147 HydrophobicContact CD2-CZ 4.14Å; L122-Y238 HydrophobicContact CD2-CE1 4.35Å
123	G	91.4	Very high	94.1	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	-65.1	-34.3	176.2	0	0	0	0	0	113.7	V121 P126 E127 R143	V121-G123 PolarHBondContact O-N 3.25Å; G123-P126 WeakPolarHBondContact O-CD 3.47Å; G123-E127 WeakPolarHBondContact CA-OE2 3.44Å; G123-R143 PolarHBondContact O-NH2 3.02Å
124	G	90.7	Very high	93.9	Very high	15 Å²	15	16.2 Å²	16.2	16%	0.155	10%	0.103	C	C	.	.	H	α-helix	trans	62.8	-148.4	176.7	0	0	0	0	0	113.3	V121 L122 E127 A128	V121-G124 PolarHBondContact O-N 2.93Å; L122-G124 VanDerWaalsContact C-N 3.3Å; L122-G124 PolarHBondContact O-N 2.78Å; G124-E127 PolarHBondContact O-N 2.76Å; G124-A128 PolarHBondContact O-N 3.33Å
125	A	89.1	Confident	93.8	Very high	20 Å²	20	15 Å²	15	17%	0.165	10%	0.095	C	C	.	.	H	α-helix	trans	-54.8	-44.6	-177.3	0	0	0	0	0	115	E127 A128 L129 T188 A194	A125-E127 VanDerWaalsContact C-N 3.29Å; A125-E127 PolarHBondContact O-N 2.9Å; A125-A128 WeakPolarHBondContact O-CB 3.22Å; A125-A128 PolarHBondContact O-N 2.9Å; A125-L129 PolarHBondContact O-N 2.9Å; A125-T188 HydrophobicContact CB-CG2 3.64Å; A125-A194 HydrophobicContact CB-CB 3.68Å; A125-A194 VanDerWaalsContact O-CB 3.32Å; A125-A194 WeakPolarHBondContact O-CB 3.38Å
126	P	90.3	Very high	93.8	Very high	33 Å²	33	14.9 Å²	14.9	21%	0.214	9%	0.093	C	C	.	.	H	α-helix	trans	-57.3	-40	176.8	-28.5	36.4	0	0	0	114	G123 A128 L129 D130 H139	G123-P126 WeakPolarHBondContact O-CD 3.47Å; P126-A128 VanDerWaalsContact C-N 3.34Å; P126-A128 PolarHBondContact O-N 3.16Å; P126-L129 WeakPolarHBondContact O-CB 3.46Å; P126-L129 PolarHBondContact O-N 3.47Å; P126-L129 VanDerWaalsContact O-N 3.17Å; P126-D130 PolarHBondContact O-N 2.94Å; P126-H139 VanDerWaalsContact CB-CE1 3.41Å; P126-H139 WeakPolarHBondContact CB-CE1 3.5Å; P126-H139 VanDerWaalsContact CB-ND1 3.3Å; P126-H139 WeakPolarHBondContact CB-ND1 3.1Å
127	E	92.5	Very high	93.7	Very high	3 Å²	3	15.8 Å²	15.8	1%	0.014	10%	0.099	C	C	.	.	H	α-helix	trans	-69.7	-33.2	179.7	-167.6	162.6	97.7	0	0	112.1	P43 H44 G123 G124 A125 L129 D130 S131 V137 M138 H139	P43-E127 VanDerWaalsContact C-OE1 3.28Å; P43-E127 WeakPolarHBondContact CA-OE1 3.33Å; P43-E127 HydrophobicContact CB-CG 4.15Å; H44-E127 HydrophobicContact CB-CB 4.13Å; H44-E127 HydrophobicContact CB-CG 4.24Å; H44-E127 PolarHBondContact N-OE1 2.83Å; G123-E127 WeakPolarHBondContact CA-OE2 3.44Å; G124-E127 PolarHBondContact O-N 2.76Å; A125-E127 VanDerWaalsContact C-N 3.29Å; A125-E127 PolarHBondContact O-N 2.9Å; E127-L129 PolarHBondContact O-N 2.95Å; E127-D130 CarbonylContact O-C 3.47Å; E127-D130 PolarHBondContact O-N 3.01Å; E127-D130 VanDerWaalsContact O-N 3.1Å; E127-S131 PolarHBondContact O-N 3.22Å; E127-S131 VanDerWaalsContact O-N 3.12Å; E127-V137 WeakPolarHBondContact CG-O 3.46Å; E127-M138 WeakPolarHBondContact OE2-CA 3.45Å; E127-H139 PolarHBondContact OE2-N 2.95Å
128	A	92	Very high	93.6	Very high	3 Å²	3	15.7 Å²	15.7	3%	0.025	10%	0.098	C	C	.	.	H	α-helix	trans	-63.6	-29.3	172	0	0	0	0	0	112.9	G45 I46 G124 A125 P126 D130 S131 Q171 A194	G45-A128 VanDerWaalsContact O-CA 3.26Å; G45-A128 WeakPolarHBondContact O-CA 3.48Å; G45-A128 VanDerWaalsContact O-CB 3.24Å; G45-A128 WeakPolarHBondContact O-CB 3.42Å; I46-A128 WeakPolarHBondContact CD1-O 3.19Å; G124-A128 PolarHBondContact O-N 3.33Å; A125-A128 WeakPolarHBondContact O-CB 3.22Å; A125-A128 PolarHBondContact O-N 2.9Å; P126-A128 VanDerWaalsContact C-N 3.34Å; P126-A128 PolarHBondContact O-N 3.16Å; A128-D130 VanDerWaalsContact C-N 3.33Å; A128-S131 WeakPolarHBondContact O-CB 3.5Å; A128-Q171 PolarHBondContact O-NE2 3.39Å; A128-A194 HydrophobicContact CB-CB 4.38Å
129	L	91.5	Very high	93.5	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-76	-21.8	174.6	-62.9	178.7	0	0	0	112.8	A125 P126 E127 Q171 N174 R181 Q184 A194	A125-L129 PolarHBondContact O-N 2.9Å; P126-L129 WeakPolarHBondContact O-CB 3.46Å; P126-L129 PolarHBondContact O-N 3.47Å; P126-L129 VanDerWaalsContact O-N 3.17Å; E127-L129 PolarHBondContact O-N 2.95Å; L129-Q171 PolarHBondContact O-OE1 3.17Å; L129-N174 PolarHBondContact O-ND2 3.26Å; L129-R181 VanDerWaalsContact CB-CZ 3.48Å; L129-R181 VanDerWaalsContact CB-NH1 3.33Å; L129-R181 PolarHBondContact O-NH1 3.34Å; L129-Q184 HydrophobicContact CD1-CB 3.95Å; L129-Q184 HydrophobicContact CD2-CB 3.95Å; L129-Q184 HydrophobicContact CD2-CG 4.18Å; L129-A194 HydrophobicContact CD1-CB 4.48Å; L129-A194 HydrophobicContact CD2-CB 3.86Å; L129-A194 HydrophobicContact CG-CB 3.87Å
130	D	92	Very high	93.4	Very high	17 Å²	17	17.2 Å²	17.2	9%	0.091	11%	0.105	C	C	.	.	H	α-helix	trans	-95.1	-1.2	176.2	-67.2	-35.3	0	0	0	112.8	P126 E127 A128 K132 T135 V137 H139 R181	P126-D130 PolarHBondContact O-N 2.94Å; E127-D130 CarbonylContact O-C 3.47Å; E127-D130 PolarHBondContact O-N 3.01Å; E127-D130 VanDerWaalsContact O-N 3.1Å; A128-D130 VanDerWaalsContact C-N 3.33Å; D130-K132 PolarHBondContact O-N 3.3Å; D130-T135 PolarHBondContact O-OG1 2.85Å; D130-V137 HydrophobicContact CB-CB 4.03Å; D130-V137 HydrophobicContact CB-CG1 4.29Å; D130-V137 HydrophobicContact CB-CG2 4.34Å; D130-H139 IonicContact OD2-CD2 3.82Å; D130-H139 IonicContact OD2-CE1 3.92Å; D130-H139 IonicContact OD2-NE2 3.76Å; D130-H139 PolarHBondContact OD2-NE2 2.75Å; D130-R181 IonicContact OD1-CZ 3.03Å; D130-R181 VanDerWaalsContact OD1-CZ 3.24Å; D130-R181 IonicContact OD1-NH1 3.86Å; D130-R181 PolarHBondContact OD1-NH1 3.39Å; D130-R181 IonicContact OD1-NH2 3.5Å; D130-R181 PolarHBondContact OD1-NH2 2.99Å; D130-R181 IonicContact OD2-NH2 3.84Å; D130-R181 PolarHBondContact OD2-NH2 3.47Å
131	S	92.5	Very high	93.2	Very high	4 Å²	4	18.4 Å²	18.4	3%	0.028	11%	0.111	C	C	.	.			trans	-66.8	96.8	-176.6	172.6	0	0	0	0	112.8	G45 E127 A128	G45-S131 WeakPolarHBondContact CA-OG 3.46Å; E127-S131 PolarHBondContact O-N 3.22Å; E127-S131 VanDerWaalsContact O-N 3.12Å; A128-S131 WeakPolarHBondContact O-CB 3.5Å
132	K	92.4	Very high	93	Very high	65 Å²	65	24.9 Å²	24.9	28%	0.283	14%	0.14	S	C	.	.			trans	-127.7	149.1	171.1	-59.4	171.5	-174.1	172.4	0	110.4	D130 G134 T135 Q166 N174	D130-K132 PolarHBondContact O-N 3.3Å; K132-G134 PolarHBondContact O-N 3.02Å; K132-T135 HydrophobicContact CB-CG2 3.96Å; K132-T135 PolarHBondContact N-OG1 3.12Å; K132-T135 PolarHBondContact O-N 2.93Å; K132-T135 VanDerWaalsContact O-N 3.08Å; K132-T135 PolarHBondContact O-OG1 3.18Å; K132-Q166 WeakPolarHBondContact O-CB 3.32Å; K132-N174 WeakPolarHBondContact CE-OD1 3.41Å
133	P	92.6	Very high	93	Very high	59 Å²	59	28.7 Å²	28.7	38%	0.383	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	134.9	175.5	-26	33.8	0	0	0	111.8	T135	P133-T135 PolarHBondContact O-N 2.74Å
134	G	92.4	Very high	93.2	Very high	11 Å²	11	32.9 Å²	32.9	11%	0.113	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	73	2.9	-179.4	0	0	0	0	0	115.9	K132 N258	K132-G134 PolarHBondContact O-N 3.02Å; G134-N258 PolarHBondContact O-N 2.88Å
135	T	93.7	Very high	93.5	Very high	32 Å²	32	34.9 Å²	34.9	20%	0.196	19%	0.192	C	C	.	.			trans	-107.8	132.5	-179.8	67.1	0	0	0	0	112.5	D130 K132 P133 Q166	D130-T135 PolarHBondContact O-OG1 2.85Å; K132-T135 HydrophobicContact CB-CG2 3.96Å; K132-T135 PolarHBondContact N-OG1 3.12Å; K132-T135 PolarHBondContact O-N 2.93Å; K132-T135 VanDerWaalsContact O-N 3.08Å; K132-T135 PolarHBondContact O-OG1 3.18Å; P133-T135 PolarHBondContact O-N 2.74Å; T135-Q166 PolarHBondContact O-NE2 3.33Å
136	Y	95.9	Very high	93.9	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.008	19%	0.188	C	C	.	.			trans	-127.3	73	-177.2	-68.7	-96.6	0	0	0	110.4	P43 M138 I161 F163 Q166 F246 D254 A257 I260 E261	P43-Y136 HydrophobicContact CG-CD1 4.17Å; P43-Y136 HydrophobicContact CG-CE1 4.33Å; Y136-M138 HydrophobicContact CD1-CE 3.85Å; Y136-M138 HydrophobicContact CG-CE 4.47Å; Y136-I161 HydrophobicContact CD1-CD1 4.39Å; Y136-F163 HydrophobicContact CE1-CD1 4.2Å; Y136-F163 AromaticContact CZ-CD1 3.97Å; Y136-F163 WeakPolarHBondContact OH-CD1 3.34Å; Y136-Q166 VanDerWaalsContact CE1-NE2 3.28Å; Y136-F246 HydrophobicContact CD1-CD2 4.31Å; Y136-F246 AromaticContact CD1-CE2 3.81Å; Y136-F246 HydrophobicContact CD1-CE2 3.81Å; Y136-F246 AromaticContact CD2-CE2 3.75Å; Y136-F246 HydrophobicContact CD2-CE2 3.75Å; Y136-F246 AromaticContact CD2-CZ 3.97Å; Y136-F246 HydrophobicContact CD2-CZ 3.97Å; Y136-F246 HydrophobicContact CE1-CD2 4.48Å; Y136-F246 AromaticContact CE1-CE2 3.95Å; Y136-F246 HydrophobicContact CE1-CE2 3.95Å; Y136-F246 AromaticContact CE2-CE2 3.93Å; Y136-F246 HydrophobicContact CE2-CE2 3.93Å; Y136-F246 HydrophobicContact CE2-CZ 4.38Å; Y136-F246 AromaticContact CG-CE2 3.71Å; Y136-F246 HydrophobicContact CG-CE2 3.71Å; Y136-F246 HydrophobicContact CG-CZ 4.16Å; Y136-D254 WeakPolarHBondContact CE2-OD2 3.27Å; Y136-D254 PolarHBondContact OH-OD2 3.41Å; Y136-A257 HydrophobicContact CD2-CB 3.91Å; Y136-A257 HydrophobicContact CE2-CB 3.44Å; Y136-A257 VanDerWaalsContact CE2-CB 3.44Å; Y136-I260 WeakPolarHBondContact O-CA 3.33Å; Y136-E261 PolarHBondContact O-N 3.27Å
137	V	95.5	Very high	94.3	Very high	20 Å²	20	33.1 Å²	33.1	12%	0.121	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	104.4	178.2	-178.2	0	0	0	0	109.1	E127 D130 E261 V263	E127-V137 WeakPolarHBondContact CG-O 3.46Å; D130-V137 HydrophobicContact CB-CB 4.03Å; D130-V137 HydrophobicContact CB-CG1 4.29Å; D130-V137 HydrophobicContact CB-CG2 4.34Å; V137-E261 CarbonylContact C-O 3.55Å; V137-E261 WeakPolarHBondContact CA-O 3.37Å; V137-E261 HydrophobicContact CG2-CB 4.42Å; V137-V263 HydrophobicContact CG1-CB 4.48Å; V137-V263 HydrophobicContact CG1-CG1 4.05Å; V137-V263 HydrophobicContact CG1-CG2 3.57Å
138	M	95.4	Very high	94.6	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	108.1	-171.8	-52.9	-53.3	-162	0	0	111.1	H42 P43 E127 Y136 I140 I161 I260 E261 F262 V263	H42-M138 HydrophobicContact CB-CE 3.69Å; H42-M138 HydrophobicContact CB-SD 3.7Å; P43-M138 HydrophobicContact CB-SD 4.16Å; E127-M138 WeakPolarHBondContact OE2-CA 3.45Å; Y136-M138 HydrophobicContact CD1-CE 3.85Å; Y136-M138 HydrophobicContact CG-CE 4.47Å; M138-I140 VanDerWaalsContact C-N 3.35Å; M138-I140 HydrophobicContact CB-CD1 3.93Å; M138-I140 HydrophobicContact CB-CG1 4.12Å; M138-I140 PolarHBondContact O-N 2.82Å; M138-I161 HydrophobicContact CE-CD1 3.98Å; M138-I161 HydrophobicContact CE-CG1 4.44Å; M138-I260 HydrophobicContact CE-CD1 4.2Å; M138-I260 HydrophobicContact CE-CG1 4.41Å; M138-I260 HydrophobicContact CG-CG2 3.82Å; M138-E261 PolarHBondContact N-O 3.43Å; M138-F262 HydrophobicContact CB-CD1 3.79Å; M138-F262 HydrophobicContact CB-CE1 4.09Å; M138-F262 HydrophobicContact CG-CD1 4.37Å; M138-F262 HydrophobicContact CG-CE1 4.27Å; M138-V263 PolarHBondContact O-N 3.41Å
139	H	95.2	Very high	94.9	Very high	31 Å²	31	37 Å²	37	14%	0.144	20%	0.195	C	C	.	.			trans	-79.9	77	-177.6	-76.9	-106.8	0	0	0	111.8	P126 E127 D130 R143 V263	P126-H139 VanDerWaalsContact CB-CE1 3.41Å; P126-H139 WeakPolarHBondContact CB-CE1 3.5Å; P126-H139 VanDerWaalsContact CB-ND1 3.3Å; P126-H139 WeakPolarHBondContact CB-ND1 3.1Å; E127-H139 PolarHBondContact OE2-N 2.95Å; D130-H139 IonicContact OD2-CD2 3.82Å; D130-H139 IonicContact OD2-CE1 3.92Å; D130-H139 IonicContact OD2-NE2 3.76Å; D130-H139 PolarHBondContact OD2-NE2 2.75Å; H139-R143 WeakPolarHBondContact O-CG 3.12Å; H139-V263 CarbonylContact C-O 3.49Å; H139-V263 WeakPolarHBondContact CA-O 3.26Å; H139-V263 HydrophobicContact CB-CG2 4.23Å; H139-V263 VanDerWaalsContact CG-CG2 3.5Å
140	I	96.6	Very high	95.2	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.195	C	C	.	.			trans	-114.3	-28.7	-172.9	-60.7	178.9	0	0	0	112.5	H42 L122 M138 Q142 R143 F147 K235 Y238 K239 L242 F262 V263	H42-I140 VanDerWaalsContact CE1-CD1 3.43Å; H42-I140 WeakPolarHBondContact CE1-CD1 3.12Å; L122-I140 HydrophobicContact CD2-CG1 4.22Å; M138-I140 VanDerWaalsContact C-N 3.35Å; M138-I140 HydrophobicContact CB-CD1 3.93Å; M138-I140 HydrophobicContact CB-CG1 4.12Å; M138-I140 PolarHBondContact O-N 2.82Å; I140-Q142 PolarHBondContact O-N 2.76Å; I140-Q142 VanDerWaalsContact O-N 3.12Å; I140-R143 PolarHBondContact O-N 3.12Å; I140-F147 HydrophobicContact CG2-CE2 3.83Å; I140-F147 HydrophobicContact CG2-CZ 3.66Å; I140-K235 HydrophobicContact CG2-CG 4.44Å; I140-K235 WeakPolarHBondContact O-CE 3.32Å; I140-K235 PolarHBondContact O-NZ 3.33Å; I140-K235 VanDerWaalsContact O-NZ 3.1Å; I140-Y238 HydrophobicContact CD1-CE1 4.08Å; I140-K239 HydrophobicContact CG2-CD 4.4Å; I140-K239 HydrophobicContact CG2-CG 4.19Å; I140-L242 HydrophobicContact CD1-CD2 3.76Å; I140-F262 HydrophobicContact CD1-CD1 3.93Å; I140-F262 HydrophobicContact CD1-CE1 3.88Å; I140-V263 PolarHBondContact N-O 2.92Å
141	N	94.2	Very high	95.5	Very high	44 Å²	44	36.6 Å²	36.6	24%	0.235	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-24.1	-169.2	-60.6	-32.4	0	0	0	113.1	F144 K235 K239 F262 V263	N141-F144 VanDerWaalsContact O-CE2 3.22Å; N141-F144 WeakPolarHBondContact O-CE2 3.46Å; N141-F144 WeakPolarHBondContact O-CZ 3.38Å; N141-K235 PolarHBondContact O-NZ 3.2Å; N141-K239 PolarHBondContact OD1-NZ 2.89Å; N141-F262 PolarHBondContact ND2-O 2.99Å; N141-V263 WeakPolarHBondContact CB-O 3.4Å; N141-V263 VanDerWaalsContact CB-OXT 3.26Å; N141-V263 WeakPolarHBondContact CB-OXT 3.43Å; N141-V263 VanDerWaalsContact CG-C 3.46Å; N141-V263 PolarHBondContact N-O 3.25Å; N141-V263 WeakPolarHBondContact ND2-CA 3.48Å; N141-V263 PolarHBondContact ND2-OXT 2.81Å; N141-V263 VanDerWaalsContact ND2-OXT 3.09Å
142	Q	92.6	Very high	95.8	Very high	153 Å²	153	38.9 Å²	38.9	72%	0.715	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-0.4	174.7	-57.6	-57.2	-30	0	0	113.5	I140 F144	I140-Q142 PolarHBondContact O-N 2.76Å; I140-Q142 VanDerWaalsContact O-N 3.12Å; Q142-F144 PolarHBondContact O-N 3.24Å
143	R	94.2	Very high	96	Very high	91 Å²	91	36 Å²	36	34%	0.343	19%	0.19	S	C	.	.			trans	-91.4	52	-172.5	-58.1	-60.8	-170.2	-170.8	0.5	114.6	L122 G123 H139 I140 G145 F147	L122-R143 HydrophobicContact CD1-CB 3.82Å; L122-R143 HydrophobicContact CD1-CG 4.05Å; L122-R143 HydrophobicContact CG-CB 4.38Å; L122-R143 HydrophobicContact CG-CG 4.36Å; L122-R143 PolarHBondContact O-NE 2.93Å; G123-R143 PolarHBondContact O-NH2 3.02Å; H139-R143 WeakPolarHBondContact O-CG 3.12Å; I140-R143 PolarHBondContact O-N 3.12Å; R143-G145 VanDerWaalsContact C-N 3.32Å; R143-G145 PolarHBondContact O-N 2.9Å; R143-F147 WeakPolarHBondContact O-CD2 3.35Å; R143-F147 WeakPolarHBondContact O-CE2 3.3Å
144	F	96.3	Very high	96.2	Very high	88 Å²	88	34 Å²	34	39%	0.386	18%	0.18	S	C	.	.	H	α-helix	trans	-64.8	-31.7	-178.3	-64.4	-87	0	0	0	114.3	N141 Q142 F146 F147 K148 V231 K235	N141-F144 VanDerWaalsContact O-CE2 3.22Å; N141-F144 WeakPolarHBondContact O-CE2 3.46Å; N141-F144 WeakPolarHBondContact O-CZ 3.38Å; Q142-F144 PolarHBondContact O-N 3.24Å; F144-F146 PolarHBondContact O-N 2.79Å; F144-F147 PolarHBondContact O-N 3.02Å; F144-K148 VanDerWaalsContact O-CB 3.32Å; F144-K148 WeakPolarHBondContact O-CB 3.18Å; F144-K148 PolarHBondContact O-N 3.43Å; F144-V231 HydrophobicContact CB-CG1 4.23Å; F144-V231 HydrophobicContact CD1-CG1 4Å; F144-K235 HydrophobicContact CD1-CD 4.4Å; F144-K235 HydrophobicContact CE1-CD 4.3Å
145	G	96.8	Very high	96.5	Very high	56 Å²	56	33.6 Å²	33.6	58%	0.577	18%	0.175	S	C	*	.	H	α-helix	trans	-60.5	-31.5	-176.5	0	0	0	0	0	114.2	R143 L149	R143-G145 VanDerWaalsContact C-N 3.32Å; R143-G145 PolarHBondContact O-N 2.9Å; G145-L149 VanDerWaalsContact O-CB 3.29Å; G145-L149 WeakPolarHBondContact O-CB 3.23Å; G145-L149 PolarHBondContact O-N 2.92Å
146	F	97.8	Very high	96.7	Very high	17 Å²	17	34.1 Å²	34.1	8%	0.075	17%	0.174	C	C	.	.	H	α-helix	trans	-66.6	-51.2	177.9	177.8	-97.8	0	0	0	111.4	L38 V120 L122 F144 L149 A150 L157 Y238	L38-F146 HydrophobicContact CD1-CD2 4.1Å; L38-F146 HydrophobicContact CD1-CE2 3.43Å; L38-F146 VanDerWaalsContact CD1-CE2 3.43Å; L38-F146 HydrophobicContact CD1-CZ 4.09Å; L38-F146 HydrophobicContact CD2-CD2 3.87Å; L38-F146 HydrophobicContact CD2-CE1 4.49Å; L38-F146 HydrophobicContact CD2-CE2 3.72Å; L38-F146 HydrophobicContact CD2-CG 4.32Å; L38-F146 HydrophobicContact CD2-CZ 4.04Å; L38-F146 WeakPolarHBondContact CD2-O 3.38Å; L38-F146 HydrophobicContact CG-CD2 4.06Å; L38-F146 HydrophobicContact CG-CE1 4.41Å; L38-F146 HydrophobicContact CG-CE2 3.38Å; L38-F146 HydrophobicContact CG-CZ 3.59Å; V120-F146 HydrophobicContact CB-CD2 4.2Å; V120-F146 HydrophobicContact CB-CE2 3.85Å; V120-F146 HydrophobicContact CG1-CD2 4.36Å; V120-F146 HydrophobicContact CG1-CE2 4.47Å; V120-F146 HydrophobicContact CG2-CD2 4.34Å; V120-F146 HydrophobicContact CG2-CE2 4.04Å; L122-F146 HydrophobicContact CD1-CB 3.56Å; L122-F146 HydrophobicContact CD1-CD1 4.04Å; L122-F146 HydrophobicContact CD1-CD2 3.83Å; L122-F146 HydrophobicContact CD1-CG 3.55Å; L122-F146 HydrophobicContact CD2-CD1 3.79Å; L122-F146 HydrophobicContact CD2-CE1 3.98Å; L122-F146 HydrophobicContact CD2-CG 4.18Å; F144-F146 PolarHBondContact O-N 2.79Å; F146-L149 WeakPolarHBondContact O-CB 3.39Å; F146-L149 PolarHBondContact O-N 2.98Å; F146-A150 PolarHBondContact O-N 3.17Å; F146-L157 HydrophobicContact CD1-CD2 4.06Å; F146-L157 HydrophobicContact CE1-CD2 3.44Å; F146-L157 VanDerWaalsContact CE1-CD2 3.44Å; F146-L157 HydrophobicContact CZ-CD2 3.92Å; F146-Y238 HydrophobicContact CE1-CE2 4.27Å
147	F	98.3	Very high	96.8	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-65.7	-41.4	177.6	-56.8	-72.1	0	0	0	112.2	L122 I140 R143 F144 L149 A150 L151 L157 V231 I234 K235 Y238	L122-F147 HydrophobicContact CD2-CZ 4.14Å; I140-F147 HydrophobicContact CG2-CE2 3.83Å; I140-F147 HydrophobicContact CG2-CZ 3.66Å; R143-F147 WeakPolarHBondContact O-CD2 3.35Å; R143-F147 WeakPolarHBondContact O-CE2 3.3Å; F144-F147 PolarHBondContact O-N 3.02Å; F147-L149 PolarHBondContact O-N 3.37Å; F147-A150 PolarHBondContact O-N 2.68Å; F147-L151 PolarHBondContact O-N 3.28Å; F147-L157 HydrophobicContact CD1-CD1 3.91Å; F147-V231 HydrophobicContact CB-CG1 3.86Å; F147-I234 HydrophobicContact CB-CG2 3.91Å; F147-I234 HydrophobicContact CD1-CG2 4.43Å; F147-K235 HydrophobicContact CB-CB 4.44Å; F147-K235 HydrophobicContact CD1-CB 3.89Å; F147-K235 HydrophobicContact CD1-CG 4.43Å; F147-K235 HydrophobicContact CD2-CB 3.76Å; F147-K235 HydrophobicContact CD2-CD 3.68Å; F147-K235 HydrophobicContact CD2-CG 3.79Å; F147-K235 HydrophobicContact CE1-CB 4.08Å; F147-K235 HydrophobicContact CE1-CG 4.2Å; F147-K235 HydrophobicContact CE2-CB 3.96Å; F147-K235 HydrophobicContact CE2-CD 3.6Å; F147-K235 HydrophobicContact CE2-CG 3.52Å; F147-K235 HydrophobicContact CG-CB 3.73Å; F147-K235 HydrophobicContact CG-CD 4.47Å; F147-K235 HydrophobicContact CG-CG 4.25Å; F147-K235 HydrophobicContact CZ-CB 4.12Å; F147-K235 HydrophobicContact CZ-CD 4.34Å; F147-K235 HydrophobicContact CZ-CG 3.75Å; F147-Y238 AromaticContact CE1-CD1 3.75Å; F147-Y238 HydrophobicContact CE1-CD1 3.75Å; F147-Y238 HydrophobicContact CE1-CD2 4.06Å; F147-Y238 HydrophobicContact CE1-CE1 4.44Å; F147-Y238 AromaticContact CE1-CG 3.54Å; F147-Y238 HydrophobicContact CE1-CG 3.54Å; F147-Y238 AromaticContact CZ-CD1 3.92Å; F147-Y238 HydrophobicContact CZ-CD1 3.92Å; F147-Y238 HydrophobicContact CZ-CE1 4.43Å; F147-Y238 HydrophobicContact CZ-CG 4.2Å
148	K	98.3	Very high	96.9	Very high	72 Å²	72	33.2 Å²	33.2	31%	0.313	17%	0.169	S	C	.	.	H	α-helix	trans	-59.7	-34.3	174	-174.5	159.5	-166.1	153.2	0	112.3	F144 K152 P226 V231	F144-K148 VanDerWaalsContact O-CB 3.32Å; F144-K148 WeakPolarHBondContact O-CB 3.18Å; F144-K148 PolarHBondContact O-N 3.43Å; K148-K152 HydrophobicContact CG-CD 4.28Å; K148-K152 WeakPolarHBondContact O-CB 3.43Å; K148-K152 WeakPolarHBondContact O-CG 3.39Å; K148-K152 PolarHBondContact O-N 3.01Å; K148-P226 HydrophobicContact CD-CG 4.5Å; K148-P226 HydrophobicContact CG-CG 3.84Å; K148-V231 HydrophobicContact CB-CG1 4.36Å; K148-V231 HydrophobicContact CB-CG2 4.01Å; K148-V231 HydrophobicContact CG-CG2 4.29Å
149	L	98.2	Very high	97	Very high	15 Å²	15	33.2 Å²	33.2	8%	0.079	17%	0.169	C	C	.	.	H	α-helix	trans	-70.5	-42.1	178.3	-178	62.3	0	0	0	112	L38 L102 H103 L106 G145 F146 F147 K152 T153	L38-L149 HydrophobicContact CD2-CB 4.36Å; L38-L149 HydrophobicContact CD2-CD2 4.32Å; L38-L149 HydrophobicContact CD2-CG 4.4Å; L102-L149 HydrophobicContact CB-CD2 3.55Å; L102-L149 HydrophobicContact CD1-CD2 4.22Å; H103-L149 HydrophobicContact CB-CD1 3.85Å; L106-L149 HydrophobicContact CD1-CD2 3.64Å; L106-L149 HydrophobicContact CD1-CG 3.87Å; G145-L149 VanDerWaalsContact O-CB 3.29Å; G145-L149 WeakPolarHBondContact O-CB 3.23Å; G145-L149 PolarHBondContact O-N 2.92Å; F146-L149 WeakPolarHBondContact O-CB 3.39Å; F146-L149 PolarHBondContact O-N 2.98Å; F147-L149 PolarHBondContact O-N 3.37Å; L149-K152 PolarHBondContact O-N 3.42Å; L149-T153 HydrophobicContact CD1-CG2 3.98Å; L149-T153 WeakPolarHBondContact O-CB 3.43Å; L149-T153 WeakPolarHBondContact O-CG2 3.13Å; L149-T153 PolarHBondContact O-N 3.33Å; L149-T153 VanDerWaalsContact O-N 3.1Å; L149-T153 PolarHBondContact O-OG1 3.13Å
150	A	98.2	Very high	97.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-58.9	-49.9	174.9	0	0	0	0	0	111.9	L38 F146 F147 K152 T153 G154 S155 L157 C220	L38-A150 HydrophobicContact CD2-CB 4.14Å; F146-A150 PolarHBondContact O-N 3.17Å; F147-A150 PolarHBondContact O-N 2.68Å; A150-K152 PolarHBondContact O-N 3.34Å; A150-T153 PolarHBondContact O-N 3.42Å; A150-T153 PolarHBondContact O-OG1 2.93Å; A150-G154 PolarHBondContact O-N 2.72Å; A150-S155 PolarHBondContact O-N 3.35Å; A150-L157 HydrophobicContact CB-CD1 3.79Å; A150-L157 HydrophobicContact CB-CD2 3.46Å; A150-L157 VanDerWaalsContact CB-CD2 3.46Å; A150-L157 HydrophobicContact CB-CG 3.37Å; A150-C220 HydrophobicContact CB-CB 4.46Å
151	L	98.4	Very high	97.1	Very high	9 Å²	9	31.8 Å²	31.8	5%	0.047	16%	0.162	C	C	.	.	H	α-helix	trans	-59.1	-43.3	176.4	-66.4	175.7	0	0	0	112.1	F147 T153 C220 Q222 I223 P226 Q230 V231 I234	F147-L151 PolarHBondContact O-N 3.28Å; L151-T153 VanDerWaalsContact C-N 3.27Å; L151-T153 PolarHBondContact O-N 3.21Å; L151-C220 HydrophobicContact CD2-CB 4.19Å; L151-Q222 CarbonylContact O-C 3.56Å; L151-Q222 VanDerWaalsContact O-CA 3.28Å; L151-Q222 WeakPolarHBondContact O-CA 3.46Å; L151-I223 HydrophobicContact CD2-CD1 4.44Å; L151-I223 PolarHBondContact O-N 3.3Å; L151-P226 HydrophobicContact CB-CB 4.04Å; L151-P226 HydrophobicContact CB-CG 4.16Å; L151-P226 HydrophobicContact CD1-CB 3.76Å; L151-P226 HydrophobicContact CD1-CG 4.44Å; L151-Q230 HydrophobicContact CD1-CB 4.26Å; L151-V231 HydrophobicContact CD1-CG2 4.01Å; L151-I234 HydrophobicContact CD1-CG2 3.96Å; L151-I234 HydrophobicContact CD2-CG2 4.46Å; L151-I234 HydrophobicContact CG-CG2 4.2Å
152	K	97.9	Very high	97.2	Very high	51 Å²	51	29.7 Å²	29.7	22%	0.222	15%	0.151	C	C	.	.	H	α-helix	trans	-64.1	-30.3	178.7	-80.3	176.7	173.7	-77.9	0	114.3	K148 L149 A150 Q222 I223 N224 P226	K148-K152 HydrophobicContact CG-CD 4.28Å; K148-K152 WeakPolarHBondContact O-CB 3.43Å; K148-K152 WeakPolarHBondContact O-CG 3.39Å; K148-K152 PolarHBondContact O-N 3.01Å; L149-K152 PolarHBondContact O-N 3.42Å; A150-K152 PolarHBondContact O-N 3.34Å; K152-Q222 WeakPolarHBondContact O-CG 3.38Å; K152-Q222 PolarHBondContact O-NE2 3.44Å; K152-Q222 VanDerWaalsContact O-NE2 3.14Å; K152-I223 WeakPolarHBondContact CA-O 3.39Å; K152-N224 PolarHBondContact NZ-O 3.4Å; K152-P226 HydrophobicContact CG-CG 4.19Å
153	T	97.8	Very high	97.4	Very high	6 Å²	6	22.4 Å²	22.4	4%	0.037	12%	0.117	C	C	.	.	H	α-helix	trans	-101.4	-13.9	-173.6	56.2	0	0	0	0	113.2	L106 D107 L149 A150 L151 S155	L106-T153 HydrophobicContact CB-CG2 3.88Å; D107-T153 HydrophobicContact CB-CG2 4.09Å; L149-T153 HydrophobicContact CD1-CG2 3.98Å; L149-T153 WeakPolarHBondContact O-CB 3.43Å; L149-T153 WeakPolarHBondContact O-CG2 3.13Å; L149-T153 PolarHBondContact O-N 3.33Å; L149-T153 VanDerWaalsContact O-N 3.1Å; L149-T153 PolarHBondContact O-OG1 3.13Å; A150-T153 PolarHBondContact O-N 3.42Å; A150-T153 PolarHBondContact O-OG1 2.93Å; L151-T153 VanDerWaalsContact C-N 3.27Å; L151-T153 PolarHBondContact O-N 3.21Å; T153-S155 PolarHBondContact O-N 3.03Å; T153-S155 PolarHBondContact OG1-OG 2.9Å
154	G	97.4	Very high	97.4	Very high	17 Å²	17	18.4 Å²	18.4	18%	0.175	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.9	18.1	-170.9	0	0	0	0	0	113.2	A150 C220	A150-G154 PolarHBondContact O-N 2.72Å; G154-C220 WeakPolarHBondContact CA-O 3.15Å
155	S	97.8	Very high	97.2	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.007	9%	0.086	C	C	.	.	P	Polyproline II helix	trans	-77.5	143.9	177.4	52.7	0	0	0	0	110.8	N36 A150 T153 C220	N36-S155 CarbonylContact O-C 3.37Å; N36-S155 WeakPolarHBondContact O-CA 3.44Å; N36-S155 WeakPolarHBondContact O-CB 3.43Å; A150-S155 PolarHBondContact O-N 3.35Å; T153-S155 PolarHBondContact O-N 3.03Å; T153-S155 PolarHBondContact OG1-OG 2.9Å; S155-C220 WeakPolarHBondContact O-CB 2.88Å
156	Y	97.7	Very high	97.1	Very high	43 Å²	43	11.7 Å²	11.7	17%	0.169	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	130	179.4	-72.7	7.3	0	0	0	109.8	V35 N36 Y37 L38 P217 I218 Q219	V35-Y156 HydrophobicContact CG1-CE1 4.2Å; V35-Y156 HydrophobicContact CG2-CD1 4.41Å; V35-Y156 HydrophobicContact CG2-CD2 3.89Å; V35-Y156 HydrophobicContact CG2-CE1 4.42Å; V35-Y156 HydrophobicContact CG2-CE2 3.9Å; V35-Y156 HydrophobicContact CG2-CG 4.16Å; N36-Y156 PolarHBondContact O-N 2.84Å; Y37-Y156 CarbonylContact C-O 3.54Å; Y37-Y156 WeakPolarHBondContact CA-O 3.29Å; Y37-Y156 AromaticContact CE1-CD2 3.96Å; Y37-Y156 HydrophobicContact CE1-CD2 3.96Å; Y37-Y156 HydrophobicContact CE1-CG 4.44Å; L38-Y156 PolarHBondContact N-O 3Å; Y156-P217 HydrophobicContact CD2-CB 3.86Å; Y156-P217 HydrophobicContact CD2-CG 4.39Å; Y156-P217 HydrophobicContact CG-CB 4.37Å; Y156-I218 WeakPolarHBondContact CA-O 3.2Å; Y156-Q219 HydrophobicContact CD1-CB 4.33Å; Y156-Q219 HydrophobicContact CD1-CG 4.43Å; Y156-Q219 HydrophobicContact CD2-CG 4.31Å; Y156-Q219 HydrophobicContact CE1-CB 3.93Å; Y156-Q219 HydrophobicContact CE1-CG 3.92Å; Y156-Q219 HydrophobicContact CE2-CG 3.78Å; Y156-Q219 PolarHBondContact OH-NE2 3.07Å
157	L	97.9	Very high	96.8	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	135.7	175.7	-79.1	171.8	0	0	0	110.1	L38 F146 F147 A150 P217 I218 I234 Y238	L38-L157 HydrophobicContact CB-CD2 4.22Å; L38-L157 HydrophobicContact CD2-CD2 4.03Å; L38-L157 HydrophobicContact CG-CD2 4.11Å; L38-L157 WeakPolarHBondContact O-CA 3.18Å; F146-L157 HydrophobicContact CD1-CD2 4.06Å; F146-L157 HydrophobicContact CE1-CD2 3.44Å; F146-L157 VanDerWaalsContact CE1-CD2 3.44Å; F146-L157 HydrophobicContact CZ-CD2 3.92Å; F147-L157 HydrophobicContact CD1-CD1 3.91Å; A150-L157 HydrophobicContact CB-CD1 3.79Å; A150-L157 HydrophobicContact CB-CD2 3.46Å; A150-L157 VanDerWaalsContact CB-CD2 3.46Å; A150-L157 HydrophobicContact CB-CG 3.37Å; L157-P217 CarbonylContact O-C 2.98Å; L157-P217 WeakPolarHBondContact O-CA 3.41Å; L157-I218 HydrophobicContact CB-CB 4.11Å; L157-I218 HydrophobicContact CB-CD1 4.43Å; L157-I218 PolarHBondContact N-O 3.05Å; L157-I218 PolarHBondContact O-N 3.35Å; L157-I234 HydrophobicContact CD1-CG1 3.65Å; L157-I234 HydrophobicContact CD1-CG2 4.47Å; L157-Y238 HydrophobicContact CB-CD2 4.36Å
158	V	97.9	Very high	96.5	Very high	3 Å²	3	12 Å²	12	2%	0.018	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	116.2	-179.5	-174.8	0	0	0	0	110	Y37 L38 V39 G40 V214 G215 P217	Y37-V158 HydrophobicContact CD1-CG2 3.73Å; Y37-V158 HydrophobicContact CG-CG2 4.48Å; L38-V158 PolarHBondContact O-N 3.15Å; V39-V158 WeakPolarHBondContact CA-O 3.48Å; V39-V158 HydrophobicContact CB-CB 4.17Å; V39-V158 HydrophobicContact CG1-CB 4.19Å; V39-V158 HydrophobicContact CG1-CG1 4.27Å; V39-V158 HydrophobicContact CG2-CB 3.69Å; V39-V158 HydrophobicContact CG2-CG1 4.23Å; V39-V158 HydrophobicContact CG2-CG2 4Å; G40-V158 PolarHBondContact N-O 2.86Å; V158-V214 HydrophobicContact CG1-CG1 3.51Å; V158-G215 WeakPolarHBondContact CG1-O 3.46Å; V158-P217 HydrophobicContact CG2-CB 4.35Å
159	P	97.8	Very high	96.3	Very high	1 Å²	1	9.1 Å²	9.1	1%	0.006	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	133.3	168.2	29.5	-30.4	0	0	0	109.5	G215 Y238 K241 L242	P159-G215 WeakPolarHBondContact O-CA 3.41Å; P159-G215 PolarHBondContact O-N 2.97Å; P159-Y238 HydrophobicContact CB-CD2 4.43Å; P159-Y238 HydrophobicContact CB-CE2 3.93Å; P159-K241 HydrophobicContact CG-CB 4.04Å; P159-L242 HydrophobicContact CB-CB 3.99Å; P159-L242 HydrophobicContact CB-CD1 4.09Å
160	C	97.5	Very high	95.9	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	128.1	178.1	177.5	0	0	0	0	108.8	V39 G40 H42 T212 V213	V39-C160 HydrophobicContact CG1-CB 3.56Å; G40-C160 WeakPolarHBondContact O-CB 3.33Å; G40-C160 PolarHBondContact O-N 3.4Å; H42-C160 PolarHBondContact N-O 2.81Å; C160-T212 WeakPolarHBondContact SG-CG2 3.12Å; C160-V213 WeakPolarHBondContact CA-O 3.34Å
161	I	96.7	Very high	95.5	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	137	-178.4	-166.6	157.3	0	0	0	111.2	H42 Y136 M138 F163 T212 V213 L242 L245 F246 I260	H42-I161 CarbonylContact O-C 3.57Å; H42-I161 WeakPolarHBondContact O-CA 3.44Å; Y136-I161 HydrophobicContact CD1-CD1 4.39Å; M138-I161 HydrophobicContact CE-CD1 3.98Å; M138-I161 HydrophobicContact CE-CG1 4.44Å; I161-F163 HydrophobicContact CD1-CZ 4.29Å; I161-F163 HydrophobicContact CG1-CE2 4.36Å; I161-F163 HydrophobicContact CG1-CZ 4.44Å; I161-F163 HydrophobicContact CG2-CD2 4.28Å; I161-F163 HydrophobicContact CG2-CE2 3.57Å; I161-F163 HydrophobicContact CG2-CZ 4.09Å; I161-T212 CarbonylContact O-C 3.52Å; I161-T212 VanDerWaalsContact O-CA 3.28Å; I161-T212 WeakPolarHBondContact O-CA 3.43Å; I161-V213 HydrophobicContact CG2-CB 4.03Å; I161-V213 PolarHBondContact N-O 3.29Å; I161-V213 PolarHBondContact O-N 2.72Å; I161-L242 HydrophobicContact CB-CD1 4.14Å; I161-L242 HydrophobicContact CD1-CD1 4.39Å; I161-L245 HydrophobicContact CB-CD2 4.41Å; I161-L245 HydrophobicContact CG2-CD2 3.74Å; I161-L245 HydrophobicContact CG2-CG 3.93Å; I161-F246 HydrophobicContact CD1-CB 3.75Å; I161-F246 HydrophobicContact CD1-CD2 3.44Å; I161-F246 VanDerWaalsContact CD1-CD2 3.44Å; I161-F246 HydrophobicContact CD1-CE2 4.43Å; I161-F246 HydrophobicContact CD1-CG 4.02Å; I161-I260 HydrophobicContact CD1-CD1 4.13Å
162	S	96.1	Very high	95	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	99.7	-178.3	-165.7	0	0	0	0	110	H42 P43 V210 Y211 T212	H42-S162 PolarHBondContact O-N 3.34Å; P43-S162 VanDerWaalsContact CD-O 3.31Å; P43-S162 WeakPolarHBondContact CD-O 3.16Å; S162-V210 WeakPolarHBondContact OG-CG1 3.32Å; S162-Y211 CarbonylContact C-O 3.59Å; S162-Y211 WeakPolarHBondContact CA-O 3.37Å; S162-T212 WeakPolarHBondContact CB-OG1 3.38Å; S162-T212 PolarHBondContact OG-OG1 2.69Å
163	F	95.8	Very high	94.5	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	139.5	175.9	-62	-89.8	0	0	0	110.4	Y136 I161 E165 V210 Y211 V213 F246 K250 Y253 D254	Y136-F163 HydrophobicContact CE1-CD1 4.2Å; Y136-F163 AromaticContact CZ-CD1 3.97Å; Y136-F163 WeakPolarHBondContact OH-CD1 3.34Å; I161-F163 HydrophobicContact CD1-CZ 4.29Å; I161-F163 HydrophobicContact CG1-CE2 4.36Å; I161-F163 HydrophobicContact CG1-CZ 4.44Å; I161-F163 HydrophobicContact CG2-CD2 4.28Å; I161-F163 HydrophobicContact CG2-CE2 3.57Å; I161-F163 HydrophobicContact CG2-CZ 4.09Å; F163-E165 VanDerWaalsContact C-N 3.29Å; F163-E165 PolarHBondContact O-N 3.23Å; F163-V210 VanDerWaalsContact O-CA 3.32Å; F163-V210 WeakPolarHBondContact O-CA 3.06Å; F163-Y211 PolarHBondContact N-O 3.3Å; F163-Y211 PolarHBondContact O-N 2.9Å; F163-V213 HydrophobicContact CD2-CG2 4.35Å; F163-V213 HydrophobicContact CE2-CG2 4.08Å; F163-F246 HydrophobicContact CD1-CD2 4.49Å; F163-F246 HydrophobicContact CD1-CE2 4.41Å; F163-F246 AromaticContact CE1-CD2 3.46Å; F163-F246 HydrophobicContact CE1-CD2 3.46Å; F163-F246 VanDerWaalsContact CE1-CD2 3.46Å; F163-F246 AromaticContact CE1-CE2 3.67Å; F163-F246 HydrophobicContact CE1-CE2 3.67Å; F163-F246 AromaticContact CZ-CD2 3.85Å; F163-F246 HydrophobicContact CZ-CD2 3.85Å; F163-F246 HydrophobicContact CZ-CE2 4.49Å; F163-K250 HydrophobicContact CE1-CB 4.21Å; F163-Y253 AromaticContact CD2-CD2 3.79Å; F163-Y253 HydrophobicContact CD2-CD2 3.79Å; F163-Y253 HydrophobicContact CD2-CG 4.39Å; F163-Y253 HydrophobicContact CE2-CD2 4.1Å; F163-Y253 HydrophobicContact CG-CD2 4.39Å; F163-D254 HydrophobicContact CD1-CB 3.91Å
164	G	93.9	Very high	94	Very high	8 Å²	8	16.5 Å²	16.5	8%	0.082	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.2	-5.6	179.1	0	0	0	0	0	115.3	Q166 S167	G164-Q166 VanDerWaalsContact C-N 3.26Å; G164-Q166 PolarHBondContact O-N 2.85Å; G164-S167 WeakPolarHBondContact O-CB 3.39Å; G164-S167 PolarHBondContact O-N 3.02Å
165	E	93.7	Very high	93.6	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-54	-42.7	178.6	-174.1	66.4	-153.5	0	0	112.2	A48 T49 G50 F163 S167 L168	A48-E165 VanDerWaalsContact C-OE1 3.26Å; A48-E165 WeakPolarHBondContact CA-OE1 3.31Å; T49-E165 PolarHBondContact N-OE1 2.95Å; G50-E165 WeakPolarHBondContact CA-OE2 3.29Å; G50-E165 PolarHBondContact N-OE1 3.43Å; G50-E165 VanDerWaalsContact N-OE1 3.14Å; G50-E165 PolarHBondContact N-OE2 3.43Å; F163-E165 VanDerWaalsContact C-N 3.29Å; F163-E165 PolarHBondContact O-N 3.23Å; E165-S167 PolarHBondContact O-N 2.88Å; E165-L168 WeakPolarHBondContact O-CB 3.14Å; E165-L168 WeakPolarHBondContact O-CG 3.43Å; E165-L168 PolarHBondContact O-N 2.96Å
166	Q	92.9	Very high	93	Very high	1 Å²	1	28 Å²	28	1%	0.005	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-74	-12.2	-179.6	-43.4	88.9	-41.2	0	0	112.7	P43 K132 T135 Y136 G164	P43-Q166 VanDerWaalsContact CG-CD 3.41Å; P43-Q166 HydrophobicContact CG-CG 3.99Å; K132-Q166 WeakPolarHBondContact O-CB 3.32Å; T135-Q166 PolarHBondContact O-NE2 3.33Å; Y136-Q166 VanDerWaalsContact CE1-NE2 3.28Å; G164-Q166 VanDerWaalsContact C-N 3.26Å; G164-Q166 PolarHBondContact O-N 2.85Å
167	S	92.8	Very high	92.4	Very high	24 Å²	24	30 Å²	30	17%	0.168	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-88.6	-5.2	178.7	-64	0	0	0	0	113.2	G164 E165	G164-S167 WeakPolarHBondContact O-CB 3.39Å; G164-S167 PolarHBondContact O-N 3.02Å; E165-S167 PolarHBondContact O-N 2.88Å
168	L	92.4	Very high	92.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.19	C	C	.	.	S	Bend	trans	-76.6	-25.8	-178.9	-61.3	176.9	0	0	0	113.5	M1 T49 E165 P205 Y206 K208 V210	M1-L168 HydrophobicContact CE-CD1 3.3Å; M1-L168 HydrophobicContact CE-CD2 3.49Å; M1-L168 VanDerWaalsContact CE-CD2 3.49Å; M1-L168 HydrophobicContact CE-CG 4Å; M1-L168 HydrophobicContact SD-CD1 4.48Å; M1-L168 HydrophobicContact SD-CD2 4.09Å; T49-L168 HydrophobicContact CG2-CD1 4.11Å; E165-L168 WeakPolarHBondContact O-CB 3.14Å; E165-L168 WeakPolarHBondContact O-CG 3.43Å; E165-L168 PolarHBondContact O-N 2.96Å; L168-P205 HydrophobicContact CB-CB 3.93Å; L168-P205 HydrophobicContact CD2-CB 4.29Å; L168-P205 CarbonylContact O-C 3.6Å; L168-P205 WeakPolarHBondContact O-CA 3.14Å; L168-Y206 WeakPolarHBondContact O-CD2 3.22Å; L168-Y206 PolarHBondContact O-N 2.94Å; L168-K208 HydrophobicContact CD2-CB 4.37Å; L168-V210 HydrophobicContact CD1-CG2 3.99Å; L168-V210 HydrophobicContact CD2-CG2 3.88Å; L168-V210 HydrophobicContact CG-CG2 4.13Å
169	Y	92.6	Very high	91.6	Very high	12 Å²	12	40.2 Å²	40.2	5%	0.047	22%	0.222	C	C	.	.	S	Bend	trans	-140.7	140.2	-177.3	-61	-85.9	0	0	0	108.2	I46 L47 F198 A200 P205	I46-Y169 HydrophobicContact CB-CD2 3.97Å; I46-Y169 HydrophobicContact CB-CG 4.12Å; I46-Y169 HydrophobicContact CG1-CD2 4.39Å; I46-Y169 HydrophobicContact CG1-CG 4.26Å; I46-Y169 HydrophobicContact CG2-CG 4.46Å; L47-Y169 HydrophobicContact CB-CE2 4.38Å; L47-Y169 HydrophobicContact CD1-CE1 4.2Å; L47-Y169 HydrophobicContact CD1-CE2 4.24Å; L47-Y169 HydrophobicContact CG-CE2 4.33Å; Y169-F198 AromaticContact CD1-CD2 3.62Å; Y169-F198 HydrophobicContact CD1-CD2 3.62Å; Y169-F198 AromaticContact CD1-CE2 3.75Å; Y169-F198 HydrophobicContact CD1-CE2 3.75Å; Y169-F198 HydrophobicContact CE1-CD2 4.36Å; Y169-F198 HydrophobicContact CE1-CE2 4.03Å; Y169-F198 HydrophobicContact CG-CD2 4.22Å; Y169-A200 HydrophobicContact CD1-CB 3.59Å; Y169-A200 HydrophobicContact CE1-CB 4.03Å; Y169-A200 HydrophobicContact CG-CB 4.48Å; Y169-P205 HydrophobicContact CE1-CB 4.26Å; Y169-P205 HydrophobicContact CE2-CB 4.01Å
170	H	90.6	Very high	91.2	Very high	66 Å²	66	42.7 Å²	42.7	31%	0.306	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	138.3	169.7	-71.5	-47	0	0	0	109.5	F198 Y199 Y206	H170-F198 CarbonylContact O-C 3.58Å; H170-F198 WeakPolarHBondContact O-CA 3.32Å; H170-F198 VanDerWaalsContact O-CB 3.26Å; H170-F198 WeakPolarHBondContact O-CB 3.12Å; H170-Y199 HydrophobicContact CB-CD1 4.16Å; H170-Y199 HydrophobicContact CB-CD2 4.06Å; H170-Y199 HydrophobicContact CB-CE1 3.64Å; H170-Y199 HydrophobicContact CB-CE2 3.54Å; H170-Y199 HydrophobicContact CB-CG 4.35Å; H170-Y199 AromaticContact CD2-CE2 3.89Å; H170-Y199 PolarHBondContact N-O 3.49Å; H170-Y199 PolarHBondContact O-N 3.22Å; H170-Y206 HydrophobicContact CB-CE2 4.33Å; H170-Y206 AromaticContact CD2-CE2 3.2Å; H170-Y206 WeakPolarHBondContact CD2-CE2 3.19Å; H170-Y206 AromaticContact CD2-CZ 3.59Å; H170-Y206 AromaticContact CG-CE2 3.86Å; H170-Y206 AromaticContact NE2-CE2 3.77Å
171	Q	89.3	Confident	90.7	Very high	18 Å²	18	43 Å²	43	8%	0.084	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	142.2	176.5	-160.4	169.4	60.8	0	0	109.7	I46 A128 L129 N174 P196 I197	I46-Q171 HydrophobicContact CD1-CB 4.48Å; I46-Q171 HydrophobicContact CD1-CG 4.47Å; A128-Q171 PolarHBondContact O-NE2 3.39Å; L129-Q171 PolarHBondContact O-OE1 3.17Å; Q171-N174 VanDerWaalsContact OE1-CG 3.31Å; Q171-N174 PolarHBondContact OE1-ND2 3.14Å; Q171-N174 PolarHBondContact OE1-OD1 3.32Å; Q171-N174 VanDerWaalsContact OE1-OD1 3.05Å; Q171-P196 VanDerWaalsContact NE2-CB 3.27Å; Q171-I197 WeakPolarHBondContact CG-O 3.32Å
172	V	88.5	Confident	90.3	Very high	51 Å²	51	49.6 Å²	49.6	31%	0.309	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-61.4	137.7	167.4	174.4	0	0	0	0	108.1	N174 I197 Y199	V172-N174 PolarHBondContact O-N 3.42Å; V172-N174 VanDerWaalsContact O-N 3.09Å; V172-I197 HydrophobicContact CB-CB 4.22Å; V172-I197 HydrophobicContact CB-CG2 4.13Å; V172-I197 HydrophobicContact CG2-CB 4.2Å; V172-I197 HydrophobicContact CG2-CG2 3.61Å; V172-I197 PolarHBondContact N-O 2.87Å; V172-Y199 HydrophobicContact CG2-CD1 4.46Å
173	P	87.6	Confident	89.9	Confident	99 Å²	99	53.4 Å²	53.4	64%	0.643	28%	0.28	S	S	*	.	P	Polyproline II helix	trans	-49.3	119.8	-179.4	-29.5	35.7	0	0	0	112.7
174	N	88.1	Confident	89.6	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.005	28%	0.283	C	S	.	.			trans	-141.1	47.5	-174.4	67.7	-27.2	0	0	0	110.3	L129 K132 Q171 V172 I180 R181 Q184	L129-N174 PolarHBondContact O-ND2 3.26Å; K132-N174 WeakPolarHBondContact CE-OD1 3.41Å; Q171-N174 VanDerWaalsContact OE1-CG 3.31Å; Q171-N174 PolarHBondContact OE1-ND2 3.14Å; Q171-N174 PolarHBondContact OE1-OD1 3.32Å; Q171-N174 VanDerWaalsContact OE1-OD1 3.05Å; V172-N174 PolarHBondContact O-N 3.42Å; V172-N174 VanDerWaalsContact O-N 3.09Å; N174-I180 HydrophobicContact CB-CG2 4.16Å; N174-R181 WeakPolarHBondContact O-CB 3.39Å; N174-Q184 PolarHBondContact ND2-OE1 2.91Å
175	E	87.5	Confident	89.2	Confident	135 Å²	135	56.6 Å²	56.6	63%	0.631	30%	0.295	S	S	*	.			trans	-56.8	146.8	-179.6	-64.1	176.7	-178.8	0	0	111.8	G177 S178 R181	E175-G177 PolarHBondContact O-N 2.79Å; E175-S178 VanDerWaalsContact O-CB 3.23Å; E175-S178 WeakPolarHBondContact O-CB 3.46Å; E175-S178 PolarHBondContact O-N 3.01Å; E175-S178 PolarHBondContact O-OG 2.94Å; E175-R181 WeakPolarHBondContact O-CB 3.47Å
176	K	85.1	Confident	88.7	Confident	124 Å²	124	61.5 Å²	61.5	54%	0.539	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	127.8	173.7	-70.7	-179.8	-178.9	169.3	0	108.7
177	G	86.7	Confident	88.2	Confident	86 Å²	86	64.5 Å²	64.5	89%	0.887	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.1	-14.6	-173.6	0	0	0	0	0	114.9	E175	E175-G177 PolarHBondContact O-N 2.79Å
178	S	90	Very high	87.7	Confident	37 Å²	37	64.1 Å²	64.1	26%	0.259	33%	0.326	S	S	.	.	S	Bend	trans	-71.2	154.4	171.9	69.7	0	0	0	0	112.1	E175 I180 R181 W182	E175-S178 VanDerWaalsContact O-CB 3.23Å; E175-S178 WeakPolarHBondContact O-CB 3.46Å; E175-S178 PolarHBondContact O-N 3.01Å; E175-S178 PolarHBondContact O-OG 2.94Å; S178-I180 VanDerWaalsContact C-N 3.32Å; S178-I180 PolarHBondContact O-N 3.2Å; S178-R181 PolarHBondContact O-N 2.73Å; S178-R181 VanDerWaalsContact OG-CB 3.23Å; S178-R181 WeakPolarHBondContact OG-CB 3.34Å; S178-R181 PolarHBondContact OG-N 2.91Å; S178-R181 VanDerWaalsContact OG-N 3.14Å; S178-W182 WeakPolarHBondContact O-CB 3.33Å; S178-W182 PolarHBondContact O-N 2.83Å
179	W	88.3	Confident	87	Confident	181 Å²	181	68.5 Å²	68.5	69%	0.686	36%	0.357	S	S	*	.	H	α-helix	trans	-61.3	-39.6	175.4	177.8	82	0	0	0	112.5	W182 L183	W179-W182 PolarHBondContact O-N 3.48Å; W179-L183 HydrophobicContact CH2-CD2 4.02Å; W179-L183 HydrophobicContact CZ2-CD2 4.29Å; W179-L183 HydrophobicContact CZ3-CD2 4.46Å; W179-L183 PolarHBondContact O-N 3.17Å
180	I	88.4	Confident	86	Confident	52 Å²	52	73 Å²	73	27%	0.267	38%	0.381	S	S	.	.	H	α-helix	trans	-60.3	-48.4	176.2	-64.3	174.8	0	0	0	109.8	N174 S178 L183 Q184 I197	N174-I180 HydrophobicContact CB-CG2 4.16Å; S178-I180 VanDerWaalsContact C-N 3.32Å; S178-I180 PolarHBondContact O-N 3.2Å; I180-L183 PolarHBondContact O-N 2.9Å; I180-Q184 HydrophobicContact CG2-CG 4.42Å; I180-Q184 WeakPolarHBondContact O-CG 3.22Å; I180-Q184 PolarHBondContact O-N 3.22Å; I180-I197 HydrophobicContact CG2-CD1 4.38Å
181	R	88.6	Confident	85.4	Confident	6 Å²	6	75.6 Å²	75.6	2%	0.023	39%	0.391	C	S	.	.	H	α-helix	trans	-65.6	-42	-179.7	-174.7	51.7	-176.3	-114	-0.3	112.1	L129 D130 N174 E175 S178 L183 Q184 D185	L129-R181 VanDerWaalsContact CB-CZ 3.48Å; L129-R181 VanDerWaalsContact CB-NH1 3.33Å; L129-R181 PolarHBondContact O-NH1 3.34Å; D130-R181 IonicContact OD1-CZ 3.03Å; D130-R181 VanDerWaalsContact OD1-CZ 3.24Å; D130-R181 IonicContact OD1-NH1 3.86Å; D130-R181 PolarHBondContact OD1-NH1 3.39Å; D130-R181 IonicContact OD1-NH2 3.5Å; D130-R181 PolarHBondContact OD1-NH2 2.99Å; D130-R181 IonicContact OD2-NH2 3.84Å; D130-R181 PolarHBondContact OD2-NH2 3.47Å; N174-R181 WeakPolarHBondContact O-CB 3.39Å; E175-R181 WeakPolarHBondContact O-CB 3.47Å; S178-R181 PolarHBondContact O-N 2.73Å; S178-R181 VanDerWaalsContact OG-CB 3.23Å; S178-R181 WeakPolarHBondContact OG-CB 3.34Å; S178-R181 PolarHBondContact OG-N 2.91Å; S178-R181 VanDerWaalsContact OG-N 3.14Å; R181-L183 VanDerWaalsContact C-N 3.28Å; R181-L183 PolarHBondContact O-N 2.88Å; R181-Q184 PolarHBondContact O-N 3.13Å; R181-D185 WeakPolarHBondContact CG-OD2 3.2Å; R181-D185 IonicContact CZ-OD1 2.81Å; R181-D185 VanDerWaalsContact NE-CG 3.29Å; R181-D185 IonicContact NE-OD1 3.55Å; R181-D185 PolarHBondContact NE-OD1 3.35Å; R181-D185 IonicContact NE-OD2 3.24Å; R181-D185 PolarHBondContact NE-OD2 2.93Å; R181-D185 VanDerWaalsContact NE-OD2 3.14Å; R181-D185 IonicContact NH2-OD1 2.73Å; R181-D185 WeakPolarHBondContact O-CB 3.27Å; R181-D185 PolarHBondContact O-N 3.43Å
182	W	87.9	Confident	84.9	Confident	139 Å²	139	79.3 Å²	79.3	53%	0.527	42%	0.416	S	S	.	.	H	α-helix	trans	-56	-43.7	173.9	175.7	87.9	0	0	0	111.9	S178 W179 K186	S178-W182 WeakPolarHBondContact O-CB 3.33Å; S178-W182 PolarHBondContact O-N 2.83Å; W179-W182 PolarHBondContact O-N 3.48Å; W182-K186 HydrophobicContact CH2-CD 3.82Å; W182-K186 HydrophobicContact CZ2-CD 3.83Å; W182-K186 HydrophobicContact CZ3-CD 4.37Å; W182-K186 VanDerWaalsContact O-CB 3.26Å; W182-K186 WeakPolarHBondContact O-CB 3.38Å; W182-K186 PolarHBondContact O-N 2.88Å
183	L	87.4	Confident	84.4	Confident	80 Å²	80	79.5 Å²	79.5	42%	0.419	42%	0.417	S	S	.	.	H	α-helix	trans	-65.5	-44.6	177.2	-174	62.8	0	0	0	111.7	W179 I180 R181 K186 F187	W179-L183 HydrophobicContact CH2-CD2 4.02Å; W179-L183 HydrophobicContact CZ2-CD2 4.29Å; W179-L183 HydrophobicContact CZ3-CD2 4.46Å; W179-L183 PolarHBondContact O-N 3.17Å; I180-L183 PolarHBondContact O-N 2.9Å; R181-L183 VanDerWaalsContact C-N 3.28Å; R181-L183 PolarHBondContact O-N 2.88Å; L183-K186 PolarHBondContact O-N 2.76Å; L183-F187 WeakPolarHBondContact O-CB 3.28Å; L183-F187 PolarHBondContact O-N 2.81Å
184	Q	89.1	Confident	84	Confident	10 Å²	10	75.5 Å²	75.5	5%	0.047	39%	0.392	C	S	.	.	H	α-helix	trans	-62.7	-44.7	177.3	-73.8	175.7	-37.4	0	0	112.3	L129 N174 I180 R181 F187 T188 L195	L129-Q184 HydrophobicContact CD1-CB 3.95Å; L129-Q184 HydrophobicContact CD2-CB 3.95Å; L129-Q184 HydrophobicContact CD2-CG 4.18Å; N174-Q184 PolarHBondContact ND2-OE1 2.91Å; I180-Q184 HydrophobicContact CG2-CG 4.42Å; I180-Q184 WeakPolarHBondContact O-CG 3.22Å; I180-Q184 PolarHBondContact O-N 3.22Å; R181-Q184 PolarHBondContact O-N 3.13Å; Q184-F187 PolarHBondContact O-N 3.32Å; Q184-T188 VanDerWaalsContact O-CB 3.31Å; Q184-T188 WeakPolarHBondContact O-CB 3.48Å; Q184-T188 PolarHBondContact O-N 3.03Å; Q184-T188 PolarHBondContact O-OG1 2.93Å; Q184-L195 PolarHBondContact NE2-O 2.81Å
185	D	85	Confident	83.5	Confident	65 Å²	65	79.6 Å²	79.6	35%	0.348	41%	0.414	S	S	.	.	H	α-helix	trans	-65.4	-44.8	178.5	-72.9	-26.1	0	0	0	110.7	R181 F187 T188 S189	R181-D185 WeakPolarHBondContact CG-OD2 3.2Å; R181-D185 IonicContact CZ-OD1 2.81Å; R181-D185 VanDerWaalsContact NE-CG 3.29Å; R181-D185 IonicContact NE-OD1 3.55Å; R181-D185 PolarHBondContact NE-OD1 3.35Å; R181-D185 IonicContact NE-OD2 3.24Å; R181-D185 PolarHBondContact NE-OD2 2.93Å; R181-D185 VanDerWaalsContact NE-OD2 3.14Å; R181-D185 IonicContact NH2-OD1 2.73Å; R181-D185 WeakPolarHBondContact O-CB 3.27Å; R181-D185 PolarHBondContact O-N 3.43Å; D185-F187 PolarHBondContact O-N 3Å; D185-T188 PolarHBondContact O-N 2.85Å; D185-S189 WeakPolarHBondContact O-CB 3.26Å; D185-S189 PolarHBondContact O-N 2.86Å; D185-S189 PolarHBondContact O-OG 3.09Å
186	K	83.5	Confident	83.1	Confident	105 Å²	105	74.2 Å²	74.2	46%	0.457	39%	0.39	S	S	.	.	H	α-helix	trans	-60.4	-46.5	175	-172.6	173.8	-176.7	179.5	0	111.1	W182 L183 S189 I190	W182-K186 HydrophobicContact CH2-CD 3.82Å; W182-K186 HydrophobicContact CZ2-CD 3.83Å; W182-K186 HydrophobicContact CZ3-CD 4.37Å; W182-K186 VanDerWaalsContact O-CB 3.26Å; W182-K186 WeakPolarHBondContact O-CB 3.38Å; W182-K186 PolarHBondContact O-N 2.88Å; L183-K186 PolarHBondContact O-N 2.76Å; K186-S189 PolarHBondContact O-N 3.1Å; K186-S189 PolarHBondContact O-OG 3.12Å; K186-I190 HydrophobicContact CG-CD1 4.24Å; K186-I190 WeakPolarHBondContact O-CG1 3.31Å; K186-I190 PolarHBondContact O-N 3.19Å
187	F	83.3	Confident	83.1	Confident	64 Å²	64	72.8 Å²	72.8	28%	0.281	39%	0.388	S	S	.	.	H	α-helix	trans	-60.8	-46.8	176.2	-175.5	-86.6	0	0	0	111.9	L183 Q184 D185 S189 I190 F191 V193 L195	L183-F187 WeakPolarHBondContact O-CB 3.28Å; L183-F187 PolarHBondContact O-N 2.81Å; Q184-F187 PolarHBondContact O-N 3.32Å; D185-F187 PolarHBondContact O-N 3Å; F187-S189 VanDerWaalsContact C-N 3.31Å; F187-S189 PolarHBondContact O-N 2.93Å; F187-I190 PolarHBondContact O-N 2.61Å; F187-I190 VanDerWaalsContact O-N 3.08Å; F187-F191 HydrophobicContact CD1-CB 4.37Å; F187-F191 HydrophobicContact CD1-CD2 4.19Å; F187-F191 AromaticContact CD2-CD2 3.57Å; F187-F191 HydrophobicContact CD2-CD2 3.57Å; F187-F191 AromaticContact CD2-CE2 3.88Å; F187-F191 HydrophobicContact CD2-CE2 3.88Å; F187-F191 HydrophobicContact CE1-CB 3.84Å; F187-F191 AromaticContact CE1-CD2 3.96Å; F187-F191 HydrophobicContact CE1-CD2 3.96Å; F187-F191 HydrophobicContact CE1-CG 4.18Å; F187-F191 AromaticContact CE2-CD2 3.31Å; F187-F191 HydrophobicContact CE2-CD2 3.31Å; F187-F191 AromaticContact CE2-CE2 3.59Å; F187-F191 HydrophobicContact CE2-CE2 3.59Å; F187-F191 HydrophobicContact CE2-CG 4.1Å; F187-F191 HydrophobicContact CG-CD2 4.01Å; F187-F191 HydrophobicContact CZ-CB 3.99Å; F187-F191 AromaticContact CZ-CD2 3.52Å; F187-F191 HydrophobicContact CZ-CD2 3.52Å; F187-F191 HydrophobicContact CZ-CE2 4.19Å; F187-F191 AromaticContact CZ-CG 3.85Å; F187-F191 HydrophobicContact CZ-CG 3.85Å; F187-F191 PolarHBondContact O-N 2.77Å; F187-V193 WeakPolarHBondContact CD1-O 3.47Å; F187-V193 HydrophobicContact CE1-CB 4.4Å; F187-V193 WeakPolarHBondContact CE1-O 3.49Å; F187-L195 HydrophobicContact CD1-CD1 3.59Å; F187-L195 HydrophobicContact CD1-CG 3.68Å; F187-L195 HydrophobicContact CD2-CD1 3.92Å; F187-L195 HydrophobicContact CE1-CD1 3.46Å; F187-L195 VanDerWaalsContact CE1-CD1 3.46Å; F187-L195 HydrophobicContact CE1-CD2 4.17Å; F187-L195 HydrophobicContact CE1-CG 3.5Å; F187-L195 HydrophobicContact CE2-CD1 3.79Å; F187-L195 HydrophobicContact CG-CD1 3.83Å; F187-L195 HydrophobicContact CG-CG 4.39Å; F187-L195 HydrophobicContact CZ-CD1 3.56Å; F187-L195 HydrophobicContact CZ-CG 4.06Å
188	T	82.2	Confident	83.2	Confident	15 Å²	15	72.5 Å²	72.5	9%	0.092	36%	0.362	C	S	.	.	H	α-helix	trans	-63.5	-37.7	-179	-55.4	0	0	0	0	111.6	A125 Q184 D185 I190 T192 V193	A125-T188 HydrophobicContact CB-CG2 3.64Å; Q184-T188 VanDerWaalsContact O-CB 3.31Å; Q184-T188 WeakPolarHBondContact O-CB 3.48Å; Q184-T188 PolarHBondContact O-N 3.03Å; Q184-T188 PolarHBondContact O-OG1 2.93Å; D185-T188 PolarHBondContact O-N 2.85Å; T188-I190 VanDerWaalsContact C-N 3.25Å; T188-I190 PolarHBondContact O-N 2.92Å; T188-T192 VanDerWaalsContact O-CA 3.24Å; T188-T192 WeakPolarHBondContact O-CA 3.23Å; T188-T192 PolarHBondContact O-N 2.96Å; T188-V193 PolarHBondContact OG1-O 2.63Å
189	S	76.8	Confident	83.2	Confident	93 Å²	93	76.6 Å²	76.6	65%	0.65	37%	0.373	S	S	*	.	H	α-helix	trans	-63.8	-28.4	175	73.5	0	0	0	0	113.5	D185 K186 F187	D185-S189 WeakPolarHBondContact O-CB 3.26Å; D185-S189 PolarHBondContact O-N 2.86Å; D185-S189 PolarHBondContact O-OG 3.09Å; K186-S189 PolarHBondContact O-N 3.1Å; K186-S189 PolarHBondContact O-OG 3.12Å; F187-S189 VanDerWaalsContact C-N 3.31Å; F187-S189 PolarHBondContact O-N 2.93Å
190	I	72.8	Confident	83.3	Confident	106 Å²	106	68.9 Å²	68.9	54%	0.544	35%	0.347	S	S	.	.	H	α-helix	trans	-89.2	-46.2	-179.2	-63.9	167	0	0	0	110.9	K186 F187 T188	K186-I190 HydrophobicContact CG-CD1 4.24Å; K186-I190 WeakPolarHBondContact O-CG1 3.31Å; K186-I190 PolarHBondContact O-N 3.19Å; F187-I190 PolarHBondContact O-N 2.61Å; F187-I190 VanDerWaalsContact O-N 3.08Å; T188-I190 VanDerWaalsContact C-N 3.25Å; T188-I190 PolarHBondContact O-N 2.92Å
191	F	77.6	Confident	83.4	Confident	120 Å²	120	72.1 Å²	72.1	53%	0.526	36%	0.356	S	S	.	.	H	α-helix	trans	-105	-4.4	-169.5	-66.1	-76.4	0	0	0	114.5	F187 V193	F187-F191 HydrophobicContact CD1-CB 4.37Å; F187-F191 HydrophobicContact CD1-CD2 4.19Å; F187-F191 AromaticContact CD2-CD2 3.57Å; F187-F191 HydrophobicContact CD2-CD2 3.57Å; F187-F191 AromaticContact CD2-CE2 3.88Å; F187-F191 HydrophobicContact CD2-CE2 3.88Å; F187-F191 HydrophobicContact CE1-CB 3.84Å; F187-F191 AromaticContact CE1-CD2 3.96Å; F187-F191 HydrophobicContact CE1-CD2 3.96Å; F187-F191 HydrophobicContact CE1-CG 4.18Å; F187-F191 AromaticContact CE2-CD2 3.31Å; F187-F191 HydrophobicContact CE2-CD2 3.31Å; F187-F191 AromaticContact CE2-CE2 3.59Å; F187-F191 HydrophobicContact CE2-CE2 3.59Å; F187-F191 HydrophobicContact CE2-CG 4.1Å; F187-F191 HydrophobicContact CG-CD2 4.01Å; F187-F191 HydrophobicContact CZ-CB 3.99Å; F187-F191 AromaticContact CZ-CD2 3.52Å; F187-F191 HydrophobicContact CZ-CD2 3.52Å; F187-F191 HydrophobicContact CZ-CE2 4.19Å; F187-F191 AromaticContact CZ-CG 3.85Å; F187-F191 HydrophobicContact CZ-CG 3.85Å; F187-F191 PolarHBondContact O-N 2.77Å; F191-V193 WeakPolarHBondContact O-CG2 3.33Å; F191-V193 PolarHBondContact O-N 2.75Å
192	T	78	Confident	83.4	Confident	96 Å²	96	74.8 Å²	74.8	59%	0.589	39%	0.386	S	S	*	.	S	Bend	trans	60.8	4.1	-175	-38.6	0	0	0	0	114.2	L76 T188	L76-T192 HydrophobicContact CD1-CG2 4.43Å; T188-T192 VanDerWaalsContact O-CA 3.24Å; T188-T192 WeakPolarHBondContact O-CA 3.23Å; T188-T192 PolarHBondContact O-N 2.96Å
193	V	79.2	Confident	83	Confident	55 Å²	55	73.4 Å²	73.4	33%	0.333	40%	0.395	S	S	.	.			trans	-110.1	129.6	179.6	-177.4	0	0	0	0	108.4	L76 F187 T188 F191	L76-V193 HydrophobicContact CD2-CG2 3.46Å; L76-V193 VanDerWaalsContact CD2-CG2 3.46Å; F187-V193 WeakPolarHBondContact CD1-O 3.47Å; F187-V193 HydrophobicContact CE1-CB 4.4Å; F187-V193 WeakPolarHBondContact CE1-O 3.49Å; T188-V193 PolarHBondContact OG1-O 2.63Å; F191-V193 WeakPolarHBondContact O-CG2 3.33Å; F191-V193 PolarHBondContact O-N 2.75Å
194	A	78.4	Confident	83	Confident	15 Å²	15	76.4 Å²	76.4	12%	0.124	40%	0.404	C	S	.	.			trans	-79.1	140.7	168.9	0	0	0	0	0	109.9	A125 A128 L129 P196	A125-A194 HydrophobicContact CB-CB 3.68Å; A125-A194 VanDerWaalsContact O-CB 3.32Å; A125-A194 WeakPolarHBondContact O-CB 3.38Å; A128-A194 HydrophobicContact CB-CB 4.38Å; L129-A194 HydrophobicContact CD1-CB 4.48Å; L129-A194 HydrophobicContact CD2-CB 3.86Å; L129-A194 HydrophobicContact CG-CB 3.87Å; A194-P196 WeakPolarHBondContact O-CD 3.49Å
195	L	77.4	Confident	83.1	Confident	88 Å²	88	77.4 Å²	77.4	46%	0.461	41%	0.412	S	S	.	.			trans	-108.9	70.3	168.5	-66.1	178	0	0	0	109.3	Q184 F187 I197	Q184-L195 PolarHBondContact NE2-O 2.81Å; F187-L195 HydrophobicContact CD1-CD1 3.59Å; F187-L195 HydrophobicContact CD1-CG 3.68Å; F187-L195 HydrophobicContact CD2-CD1 3.92Å; F187-L195 HydrophobicContact CE1-CD1 3.46Å; F187-L195 VanDerWaalsContact CE1-CD1 3.46Å; F187-L195 HydrophobicContact CE1-CD2 4.17Å; F187-L195 HydrophobicContact CE1-CG 3.5Å; F187-L195 HydrophobicContact CE2-CD1 3.79Å; F187-L195 HydrophobicContact CG-CD1 3.83Å; F187-L195 HydrophobicContact CG-CG 4.39Å; F187-L195 HydrophobicContact CZ-CD1 3.56Å; F187-L195 HydrophobicContact CZ-CG 4.06Å; L195-I197 PolarHBondContact O-N 2.7Å
196	P	79	Confident	83.5	Confident	22 Å²	22	77 Å²	77	14%	0.143	41%	0.406	C	S	.	.			trans	-62.3	130.7	172.1	28.5	-32.4	0	0	0	108.4	I46 Q171 A194 F198	I46-P196 HydrophobicContact CD1-CB 4.01Å; I46-P196 HydrophobicContact CG2-CB 4.31Å; I46-P196 HydrophobicContact CG2-CG 3.89Å; Q171-P196 VanDerWaalsContact NE2-CB 3.27Å; A194-P196 WeakPolarHBondContact O-CD 3.49Å; P196-F198 HydrophobicContact CB-CD1 4.11Å; P196-F198 HydrophobicContact CG-CD1 3.92Å; P196-F198 HydrophobicContact CG-CE1 4.23Å; P196-F198 VanDerWaalsContact O-CD1 3.28Å; P196-F198 WeakPolarHBondContact O-CD1 3.32Å
197	I	85	Confident	83.9	Confident	94 Å²	94	81 Å²	81	48%	0.482	42%	0.418	S	S	.	.			trans	-90.9	106.7	168.9	-54.5	175.6	0	0	0	105.5	Q171 V172 I180 L195	Q171-I197 WeakPolarHBondContact CG-O 3.32Å; V172-I197 HydrophobicContact CB-CB 4.22Å; V172-I197 HydrophobicContact CB-CG2 4.13Å; V172-I197 HydrophobicContact CG2-CB 4.2Å; V172-I197 HydrophobicContact CG2-CG2 3.61Å; V172-I197 PolarHBondContact N-O 2.87Å; I180-I197 HydrophobicContact CG2-CD1 4.38Å; L195-I197 PolarHBondContact O-N 2.7Å
198	F	88.6	Confident	84.3	Confident	80 Å²	80	83.2 Å²	83.2	35%	0.351	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	159.3	-172.9	66.2	-91.1	0	0	0	111.8	I46 L47 Y169 H170 P196	I46-F198 HydrophobicContact CG2-CB 4.23Å; I46-F198 HydrophobicContact CG2-CD1 3.39Å; I46-F198 HydrophobicContact CG2-CD2 4.13Å; I46-F198 HydrophobicContact CG2-CE1 3.64Å; I46-F198 HydrophobicContact CG2-CE2 4.33Å; I46-F198 HydrophobicContact CG2-CG 3.66Å; I46-F198 HydrophobicContact CG2-CZ 4.11Å; L47-F198 HydrophobicContact CD1-CZ 4.39Å; L47-F198 HydrophobicContact CD2-CZ 4.37Å; Y169-F198 AromaticContact CD1-CD2 3.62Å; Y169-F198 HydrophobicContact CD1-CD2 3.62Å; Y169-F198 AromaticContact CD1-CE2 3.75Å; Y169-F198 HydrophobicContact CD1-CE2 3.75Å; Y169-F198 HydrophobicContact CE1-CD2 4.36Å; Y169-F198 HydrophobicContact CE1-CE2 4.03Å; Y169-F198 HydrophobicContact CG-CD2 4.22Å; H170-F198 CarbonylContact O-C 3.58Å; H170-F198 WeakPolarHBondContact O-CA 3.32Å; H170-F198 VanDerWaalsContact O-CB 3.26Å; H170-F198 WeakPolarHBondContact O-CB 3.12Å; P196-F198 HydrophobicContact CB-CD1 4.11Å; P196-F198 HydrophobicContact CG-CD1 3.92Å; P196-F198 HydrophobicContact CG-CE1 4.23Å; P196-F198 VanDerWaalsContact O-CD1 3.28Å; P196-F198 WeakPolarHBondContact O-CD1 3.32Å
199	Y	90.3	Very high	84.8	Confident	123 Å²	123	85 Å²	85	48%	0.482	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	149.6	174.2	62.1	-84.2	0	0	0	110.1	H170 V172 Y206	H170-Y199 HydrophobicContact CB-CD1 4.16Å; H170-Y199 HydrophobicContact CB-CD2 4.06Å; H170-Y199 HydrophobicContact CB-CE1 3.64Å; H170-Y199 HydrophobicContact CB-CE2 3.54Å; H170-Y199 HydrophobicContact CB-CG 4.35Å; H170-Y199 AromaticContact CD2-CE2 3.89Å; H170-Y199 PolarHBondContact N-O 3.49Å; H170-Y199 PolarHBondContact O-N 3.22Å; V172-Y199 HydrophobicContact CG2-CD1 4.46Å; Y199-Y206 WeakPolarHBondContact CD2-OH 3.34Å
200	A	90.7	Very high	85.6	Confident	18 Å²	18	80.6 Å²	80.6	15%	0.149	41%	0.408	C	S	.	.	S	Bend	trans	-149.3	-140.4	175.3	0	0	0	0	0	109.6	Y169 G202 F204 Y206	Y169-A200 HydrophobicContact CD1-CB 3.59Å; Y169-A200 HydrophobicContact CE1-CB 4.03Å; Y169-A200 HydrophobicContact CG-CB 4.48Å; A200-G202 VanDerWaalsContact C-N 3.28Å; A200-G202 PolarHBondContact O-N 3.5Å; A200-G202 VanDerWaalsContact O-N 3.14Å; A200-F204 WeakPolarHBondContact CB-O 3.35Å; A200-Y206 HydrophobicContact CB-CD2 4.17Å; A200-Y206 HydrophobicContact CB-CE2 4.01Å
201	R	90.8	Very high	86.7	Confident	121 Å²	121	78.4 Å²	78.4	46%	0.457	39%	0.394	S	S	.	.	B	Isolated β-bridge	trans	-89	63.9	177.6	-62.2	175.5	58.4	116.5	6.3	110.1	F204 Y206	R201-F204 HydrophobicContact CB-CB 4.49Å; R201-F204 PolarHBondContact N-O 3.32Å; R201-F204 PolarHBondContact O-N 3.46Å; R201-Y206 HydrophobicContact CG-CD1 3.67Å; R201-Y206 HydrophobicContact CG-CE1 3.89Å; R201-Y206 HydrophobicContact CG-CG 4.49Å
202	G	87.5	Confident	87.6	Confident	62 Å²	62	72.7 Å²	72.7	64%	0.639	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.9	-126.7	-166.9	0	0	0	0	0	110.1	A200 F204	A200-G202 VanDerWaalsContact C-N 3.28Å; A200-G202 PolarHBondContact O-N 3.5Å; A200-G202 VanDerWaalsContact O-N 3.14Å; G202-F204 PolarHBondContact O-N 3.23Å
203	P	80	Confident	88.4	Confident	110 Å²	110	68.1 Å²	68.1	71%	0.714	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-7.8	176.9	33.5	-35.3	0	0	0	113.4
204	F	88	Confident	89.2	Confident	142 Å²	142	65.7 Å²	65.7	62%	0.623	33%	0.326	S	S	*	.	B	Isolated β-bridge	trans	-99.8	144.8	-173	-57.9	-71.1	0	0	0	112.4	A200 R201 G202	A200-F204 WeakPolarHBondContact CB-O 3.35Å; R201-F204 HydrophobicContact CB-CB 4.49Å; R201-F204 PolarHBondContact N-O 3.32Å; R201-F204 PolarHBondContact O-N 3.46Å; G202-F204 PolarHBondContact O-N 3.23Å
205	P	90.9	Very high	90.1	Very high	31 Å²	31	65.2 Å²	65.2	20%	0.201	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-62.9	157	174.4	26.7	-33.7	0	0	0	111.7	M1 L168 Y169	M1-P205 HydrophobicContact SD-CG 4.31Å; L168-P205 HydrophobicContact CB-CB 3.93Å; L168-P205 HydrophobicContact CD2-CB 4.29Å; L168-P205 CarbonylContact O-C 3.6Å; L168-P205 WeakPolarHBondContact O-CA 3.14Å; Y169-P205 HydrophobicContact CE1-CB 4.26Å; Y169-P205 HydrophobicContact CE2-CB 4.01Å
206	Y	93	Very high	90.9	Very high	56 Å²	56	61.7 Å²	61.7	22%	0.22	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-59.1	148.7	165.4	-70.4	-68.9	0	0	0	110.6	L168 H170 Y199 A200 R201 K208	L168-Y206 WeakPolarHBondContact O-CD2 3.22Å; L168-Y206 PolarHBondContact O-N 2.94Å; H170-Y206 HydrophobicContact CB-CE2 4.33Å; H170-Y206 AromaticContact CD2-CE2 3.2Å; H170-Y206 WeakPolarHBondContact CD2-CE2 3.19Å; H170-Y206 AromaticContact CD2-CZ 3.59Å; H170-Y206 AromaticContact CG-CE2 3.86Å; H170-Y206 AromaticContact NE2-CE2 3.77Å; Y199-Y206 WeakPolarHBondContact CD2-OH 3.34Å; A200-Y206 HydrophobicContact CB-CD2 4.17Å; A200-Y206 HydrophobicContact CB-CE2 4.01Å; R201-Y206 HydrophobicContact CG-CD1 3.67Å; R201-Y206 HydrophobicContact CG-CE1 3.89Å; R201-Y206 HydrophobicContact CG-CG 4.49Å; Y206-K208 PolarHBondContact O-N 3.26Å
207	R	91.4	Very high	91.7	Very high	190 Å²	190	62.4 Å²	62.4	72%	0.717	31%	0.311	S	S	*	.	S	Bend	trans	-81.8	71.3	178.5	-65.2	-178.1	-179.9	143.8	-1.3	109.5
208	K	92.3	Very high	92.3	Very high	111 Å²	111	58.3 Å²	58.3	48%	0.483	29%	0.29	S	S	.	.			trans	-110.1	147.8	173.7	-65.1	-67.8	-171.9	169.2	0	109.2	L168 Y206	L168-K208 HydrophobicContact CD2-CB 4.37Å; Y206-K208 PolarHBondContact O-N 3.26Å
209	P	92.8	Very high	92.7	Very high	52 Å²	52	61.2 Å²	61.2	34%	0.338	31%	0.305	S	S	.	.			trans	-69.5	151.1	174.6	32.1	-35.1	0	0	0	110.1	N2 Y211	N2-P209 WeakPolarHBondContact O-CA 3.22Å; P209-Y211 HydrophobicContact CB-CD2 4.38Å; P209-Y211 HydrophobicContact CB-CE2 3.53Å; P209-Y211 WeakPolarHBondContact CB-OH 3.49Å; P209-Y211 HydrophobicContact CG-CE2 3.73Å
210	V	94.2	Very high	93	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	126.6	171.7	175.2	0	0	0	0	108.3	M1 N2 S3 I4 S162 F163 L168	M1-V210 HydrophobicContact CE-CB 4.16Å; M1-V210 HydrophobicContact CE-CG2 3.4Å; M1-V210 VanDerWaalsContact CE-CG2 3.4Å; N2-V210 PolarHBondContact O-N 3.4Å; S3-V210 WeakPolarHBondContact CA-O 3.04Å; I4-V210 PolarHBondContact N-O 3.29Å; I4-V210 VanDerWaalsContact N-O 3.12Å; S162-V210 WeakPolarHBondContact OG-CG1 3.32Å; F163-V210 VanDerWaalsContact O-CA 3.32Å; F163-V210 WeakPolarHBondContact O-CA 3.06Å; L168-V210 HydrophobicContact CD1-CG2 3.99Å; L168-V210 HydrophobicContact CD2-CG2 3.88Å; L168-V210 HydrophobicContact CG-CG2 4.13Å
211	Y	95	Very high	93.2	Very high	60 Å²	60	62.7 Å²	62.7	24%	0.235	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	108.3	-179.9	-55.6	-81.3	0	0	0	108.2	I4 S162 F163 P209 Y253	I4-Y211 HydrophobicContact CB-CD1 4.27Å; I4-Y211 HydrophobicContact CD1-CD1 4.17Å; I4-Y211 HydrophobicContact CD1-CE1 3.96Å; I4-Y211 HydrophobicContact CG1-CD1 4.4Å; I4-Y211 HydrophobicContact CG1-CE1 4.49Å; S162-Y211 CarbonylContact C-O 3.59Å; S162-Y211 WeakPolarHBondContact CA-O 3.37Å; F163-Y211 PolarHBondContact N-O 3.3Å; F163-Y211 PolarHBondContact O-N 2.9Å; P209-Y211 HydrophobicContact CB-CD2 4.38Å; P209-Y211 HydrophobicContact CB-CE2 3.53Å; P209-Y211 WeakPolarHBondContact CB-OH 3.49Å; P209-Y211 HydrophobicContact CG-CE2 3.73Å; Y211-Y253 AromaticContact CD1-CD1 3.78Å; Y211-Y253 HydrophobicContact CD1-CD1 3.78Å; Y211-Y253 AromaticContact CD1-CE1 3.78Å; Y211-Y253 HydrophobicContact CD1-CE1 3.78Å; Y211-Y253 HydrophobicContact CD1-CG 4.44Å; Y211-Y253 AromaticContact CD2-CD1 3.63Å; Y211-Y253 HydrophobicContact CD2-CD1 3.63Å; Y211-Y253 HydrophobicContact CD2-CE1 4.47Å; Y211-Y253 AromaticContact CD2-CG 3.84Å; Y211-Y253 HydrophobicContact CD2-CG 3.84Å; Y211-Y253 HydrophobicContact CE1-CD1 4.19Å; Y211-Y253 HydrophobicContact CE1-CE1 4.22Å; Y211-Y253 HydrophobicContact CE2-CD1 4.04Å; Y211-Y253 AromaticContact CG-CD1 3.48Å; Y211-Y253 HydrophobicContact CG-CD1 3.48Å; Y211-Y253 VanDerWaalsContact CG-CD1 3.48Å; Y211-Y253 HydrophobicContact CG-CD2 4.31Å; Y211-Y253 AromaticContact CG-CE1 3.92Å; Y211-Y253 HydrophobicContact CG-CE1 3.92Å; Y211-Y253 AromaticContact CG-CG 3.74Å; Y211-Y253 HydrophobicContact CG-CG 3.74Å
212	T	96.2	Very high	93.4	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	124.6	176.6	-63.6	0	0	0	0	109.9	I4 I5 N6 F41 N54 F55 C160 I161 S162	I4-T212 PolarHBondContact O-N 3.3Å; I5-T212 CarbonylContact C-O 3.57Å; I5-T212 VanDerWaalsContact CA-O 3.31Å; I5-T212 WeakPolarHBondContact CA-O 3.34Å; N6-T212 PolarHBondContact N-O 2.75Å; F41-T212 HydrophobicContact CE2-CG2 4.08Å; N54-T212 VanDerWaalsContact ND2-CB 3.27Å; N54-T212 WeakPolarHBondContact ND2-CB 3.37Å; N54-T212 PolarHBondContact ND2-OG1 2.92Å; F55-T212 HydrophobicContact CE2-CG2 4.15Å; F55-T212 HydrophobicContact CZ-CG2 3.99Å; C160-T212 WeakPolarHBondContact SG-CG2 3.12Å; I161-T212 CarbonylContact O-C 3.52Å; I161-T212 VanDerWaalsContact O-CA 3.28Å; I161-T212 WeakPolarHBondContact O-CA 3.43Å; S162-T212 WeakPolarHBondContact CB-OG1 3.38Å; S162-T212 PolarHBondContact OG-OG1 2.69Å
213	V	95.8	Very high	93.9	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	123.7	175.5	-170.5	0	0	0	0	108.7	N6 H8 C160 I161 F163 L245 Y249 Y253	N6-V213 WeakPolarHBondContact O-CA 3.01Å; H8-V213 HydrophobicContact CB-CG1 4.19Å; C160-V213 WeakPolarHBondContact CA-O 3.34Å; I161-V213 HydrophobicContact CG2-CB 4.03Å; I161-V213 PolarHBondContact N-O 3.29Å; I161-V213 PolarHBondContact O-N 2.72Å; F163-V213 HydrophobicContact CD2-CG2 4.35Å; F163-V213 HydrophobicContact CE2-CG2 4.08Å; V213-L245 HydrophobicContact CG1-CD1 3.64Å; V213-L245 HydrophobicContact CG1-CD2 4.4Å; V213-L245 HydrophobicContact CG1-CG 4.14Å; V213-Y249 HydrophobicContact CB-CD2 4.42Å; V213-Y249 HydrophobicContact CB-CE2 4.48Å; V213-Y249 HydrophobicContact CG1-CD2 3.84Å; V213-Y249 HydrophobicContact CG1-CE2 3.47Å; V213-Y249 VanDerWaalsContact CG1-CE2 3.47Å; V213-Y249 HydrophobicContact CG1-CG 4.48Å; V213-Y249 HydrophobicContact CG2-CD1 4.17Å; V213-Y249 HydrophobicContact CG2-CD2 4.12Å; V213-Y249 HydrophobicContact CG2-CE1 4.44Å; V213-Y249 HydrophobicContact CG2-CE2 4.39Å; V213-Y249 HydrophobicContact CG2-CG 3.97Å; V213-Y253 HydrophobicContact CG2-CD2 4.24Å; V213-Y253 HydrophobicContact CG2-CE2 3.85Å
214	V	96.4	Very high	94.7	Very high	4 Å²	4	61 Å²	61	2%	0.024	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	114.5	174	-177.8	0	0	0	0	108	I5 N6 H8 F55 F66 F117 V158	I5-V214 HydrophobicContact CG2-CG2 3.98Å; N6-V214 PolarHBondContact O-N 3.18Å; H8-V214 PolarHBondContact N-O 2.76Å; F55-V214 HydrophobicContact CE1-CG2 4.34Å; F55-V214 HydrophobicContact CZ-CG2 4.14Å; F66-V214 HydrophobicContact CE1-CG1 4.47Å; F66-V214 HydrophobicContact CE2-CG2 4.17Å; F66-V214 HydrophobicContact CZ-CB 3.93Å; F66-V214 HydrophobicContact CZ-CG1 3.88Å; F66-V214 HydrophobicContact CZ-CG2 3.94Å; F117-V214 HydrophobicContact CZ-CG1 4Å; V158-V214 HydrophobicContact CG1-CG1 3.51Å
215	G	96	Very high	95.1	Very high	6 Å²	6	62.2 Å²	62.2	6%	0.062	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-73.9	172.2	-178.8	0	0	0	0	0	113.9	V158 P159	V158-G215 WeakPolarHBondContact CG1-O 3.46Å; P159-G215 WeakPolarHBondContact O-CA 3.41Å; P159-G215 PolarHBondContact O-N 2.97Å
216	A	94.3	Very high	95.4	Very high	13 Å²	13	61 Å²	61	11%	0.107	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-65.9	142.3	176.5	0	0	0	0	0	111.6	H8 V10	H8-A216 PolarHBondContact O-N 3.28Å; V10-A216 HydrophobicContact CG2-CB 3.86Å
217	P	96.4	Very high	95.6	Very high	37 Å²	37	61.4 Å²	61.4	24%	0.24	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-62.4	151.7	179.5	26.3	-34.1	0	0	0	112.3	L31 Y37 Y156 L157 V158 K241	L31-P217 HydrophobicContact CD2-CG 3.9Å; Y37-P217 HydrophobicContact CD1-CB 4.48Å; Y37-P217 HydrophobicContact CE1-CB 4.11Å; Y37-P217 HydrophobicContact CE1-CG 4.5Å; Y156-P217 HydrophobicContact CD2-CB 3.86Å; Y156-P217 HydrophobicContact CD2-CG 4.39Å; Y156-P217 HydrophobicContact CG-CB 4.37Å; L157-P217 CarbonylContact O-C 2.98Å; L157-P217 WeakPolarHBondContact O-CA 3.41Å; V158-P217 HydrophobicContact CG2-CB 4.35Å; P217-K241 PolarHBondContact O-NZ 2.87Å; P217-K241 VanDerWaalsContact O-NZ 3.12Å
218	I	97.5	Very high	95.9	Very high	9 Å²	9	57.8 Å²	57.8	5%	0.046	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-111	112.3	169.6	-55	163	0	0	0	106	Y156 L157 C220 I234 I237 Y238 K241	Y156-I218 WeakPolarHBondContact CA-O 3.2Å; L157-I218 HydrophobicContact CB-CB 4.11Å; L157-I218 HydrophobicContact CB-CD1 4.43Å; L157-I218 PolarHBondContact N-O 3.05Å; L157-I218 PolarHBondContact O-N 3.35Å; I218-C220 PolarHBondContact O-N 3.03Å; I218-I234 HydrophobicContact CG2-CD1 3.51Å; I218-I234 HydrophobicContact CG2-CG1 4.48Å; I218-I237 HydrophobicContact CD1-CG2 4.13Å; I218-I237 HydrophobicContact CG1-CG2 4.36Å; I218-I237 HydrophobicContact CG2-CG2 3.97Å; I218-Y238 HydrophobicContact CD1-CD2 3.99Å; I218-Y238 HydrophobicContact CD1-CG 4.42Å; I218-K241 HydrophobicContact CD1-CB 4.43Å; I218-K241 HydrophobicContact CD1-CD 4.01Å; I218-K241 HydrophobicContact CD1-CG 4.3Å; I218-K241 HydrophobicContact CG1-CD 3.6Å; I218-K241 HydrophobicContact CG1-CG 4.39Å
219	Q	96.7	Very high	96.2	Very high	141 Å²	141	59.2 Å²	59.2	66%	0.659	30%	0.301	S	S	*	.			trans	-64.3	132.6	178.3	-58.6	-171.6	-26.1	0	0	109.5	Y156	Y156-Q219 HydrophobicContact CD1-CB 4.33Å; Y156-Q219 HydrophobicContact CD1-CG 4.43Å; Y156-Q219 HydrophobicContact CD2-CG 4.31Å; Y156-Q219 HydrophobicContact CE1-CB 3.93Å; Y156-Q219 HydrophobicContact CE1-CG 3.92Å; Y156-Q219 HydrophobicContact CE2-CG 3.78Å; Y156-Q219 PolarHBondContact OH-NE2 3.07Å
220	C	96.5	Very high	96.5	Very high	8 Å²	8	60.4 Å²	60.4	5%	0.054	30%	0.302	C	S	.	.			trans	-120.3	118.2	177.5	-66.9	0	0	0	0	108.3	A150 L151 G154 S155 I218	A150-C220 HydrophobicContact CB-CB 4.46Å; L151-C220 HydrophobicContact CD2-CB 4.19Å; G154-C220 WeakPolarHBondContact CA-O 3.15Å; S155-C220 WeakPolarHBondContact O-CB 2.88Å; I218-C220 PolarHBondContact O-N 3.03Å
221	E	94.5	Very high	96.7	Very high	164 Å²	164	60.5 Å²	60.5	77%	0.766	30%	0.302	S	S	*	.			trans	-68.5	139.1	171.2	-65.8	-175.5	174.6	0	0	110	I223	E221-I223 PolarHBondContact O-N 3.19Å
222	Q	96.9	Very high	96.8	Very high	88 Å²	88	59.8 Å²	59.8	41%	0.411	31%	0.309	S	S	.	.			trans	-73	117.4	-178.5	-170.9	172.3	11.5	0	0	110.8	L151 K152	L151-Q222 CarbonylContact O-C 3.56Å; L151-Q222 VanDerWaalsContact O-CA 3.28Å; L151-Q222 WeakPolarHBondContact O-CA 3.46Å; K152-Q222 WeakPolarHBondContact O-CG 3.38Å; K152-Q222 PolarHBondContact O-NE2 3.44Å; K152-Q222 VanDerWaalsContact O-NE2 3.14Å
223	I	97.6	Very high	96.9	Very high	42 Å²	42	65.7 Å²	65.7	22%	0.215	34%	0.336	C	S	.	.			trans	-126.8	115.7	179.3	-53.5	168.2	0	0	0	108.5	L151 K152 E221 E225 P226	L151-I223 HydrophobicContact CD2-CD1 4.44Å; L151-I223 PolarHBondContact O-N 3.3Å; K152-I223 WeakPolarHBondContact CA-O 3.39Å; E221-I223 PolarHBondContact O-N 3.19Å; I223-E225 VanDerWaalsContact C-N 3.29Å; I223-E225 PolarHBondContact O-N 2.97Å; I223-P226 HydrophobicContact CB-CB 4.29Å; I223-P226 HydrophobicContact CG2-CB 4.17Å; I223-P226 WeakPolarHBondContact O-CD 3.2Å
224	N	95.3	Very high	97	Very high	126 Å²	126	66.2 Å²	66.2	67%	0.674	34%	0.339	S	S	*	.	S	Bend	trans	-58.9	-41	-177.9	-72.5	-28.3	0	0	0	112.5	K152	K152-N224 PolarHBondContact NZ-O 3.4Å
225	E	96.9	Very high	97.1	Very high	169 Å²	169	66.7 Å²	66.7	79%	0.79	34%	0.341	S	S	*	.	S	Bend	trans	-130.2	78.3	-179.3	-62	-166.4	152.7	0	0	110.2	I223 T227	I223-E225 VanDerWaalsContact C-N 3.29Å; I223-E225 PolarHBondContact O-N 2.97Å; E225-T227 PolarHBondContact O-N 2.8Å
226	P	97.8	Very high	97.2	Very high	5 Å²	5	70.7 Å²	70.7	3%	0.032	36%	0.358	C	S	.	.			trans	-70	134.3	-179.6	30.7	-34.5	0	0	0	109.8	K148 L151 K152 I223 V231	K148-P226 HydrophobicContact CD-CG 4.5Å; K148-P226 HydrophobicContact CG-CG 3.84Å; L151-P226 HydrophobicContact CB-CB 4.04Å; L151-P226 HydrophobicContact CB-CG 4.16Å; L151-P226 HydrophobicContact CD1-CB 3.76Å; L151-P226 HydrophobicContact CD1-CG 4.44Å; K152-P226 HydrophobicContact CG-CG 4.19Å; I223-P226 HydrophobicContact CB-CB 4.29Å; I223-P226 HydrophobicContact CG2-CB 4.17Å; I223-P226 WeakPolarHBondContact O-CD 3.2Å; P226-V231 HydrophobicContact CB-CG2 4.09Å; P226-V231 HydrophobicContact CG-CG2 4.2Å
227	T	98.2	Very high	97.4	Very high	65 Å²	65	72.2 Å²	72.2	40%	0.399	36%	0.364	S	S	.	.			trans	-66.2	159.3	173	59.3	0	0	0	0	110.8	E225 E229 Q230 V231	E225-T227 PolarHBondContact O-N 2.8Å; T227-E229 WeakPolarHBondContact CB-OE2 3.12Å; T227-E229 PolarHBondContact O-N 3.4Å; T227-Q230 PolarHBondContact O-N 3.08Å; T227-Q230 WeakPolarHBondContact OG1-CB 3.19Å; T227-Q230 VanDerWaalsContact OG1-CD 3.25Å; T227-Q230 WeakPolarHBondContact OG1-CG 3.47Å; T227-Q230 PolarHBondContact OG1-N 3.38Å; T227-Q230 PolarHBondContact OG1-OE1 2.69Å; T227-V231 WeakPolarHBondContact O-CG2 3.41Å; T227-V231 PolarHBondContact O-N 3.19Å; T227-V231 VanDerWaalsContact O-N 3.08Å
228	D	97.7	Very high	97.5	Very high	113 Å²	113	70.4 Å²	70.4	60%	0.604	35%	0.352	S	S	*	.	H	α-helix	trans	-66	-30.1	179.4	-70.7	-20.7	0	0	0	111.1	V231 A232	D228-V231 PolarHBondContact O-N 3.28Å; D228-A232 VanDerWaalsContact O-CB 3.29Å; D228-A232 WeakPolarHBondContact O-CB 3.45Å; D228-A232 PolarHBondContact O-N 3.12Å
229	E	98	Very high	97.5	Very high	142 Å²	142	71.7 Å²	71.7	66%	0.664	36%	0.357	S	S	*	.	H	α-helix	trans	-64.5	-45.2	173.6	-64	72.4	-158.6	0	0	111.9	T227 V231 A232 H233	T227-E229 WeakPolarHBondContact CB-OE2 3.12Å; T227-E229 PolarHBondContact O-N 3.4Å; E229-V231 VanDerWaalsContact C-N 3.34Å; E229-V231 PolarHBondContact O-N 2.95Å; E229-A232 PolarHBondContact O-N 3.29Å; E229-H233 WeakPolarHBondContact O-CB 3.46Å; E229-H233 PolarHBondContact O-N 3.34Å
230	Q	98.1	Very high	97.6	Very high	77 Å²	77	69.6 Å²	69.6	36%	0.36	35%	0.348	S	S	.	.	H	α-helix	trans	-63	-41.4	175.7	-75.4	165.6	-36.2	0	0	111.6	L151 T227 H233 I234	L151-Q230 HydrophobicContact CD1-CB 4.26Å; T227-Q230 PolarHBondContact O-N 3.08Å; T227-Q230 WeakPolarHBondContact OG1-CB 3.19Å; T227-Q230 VanDerWaalsContact OG1-CD 3.25Å; T227-Q230 WeakPolarHBondContact OG1-CG 3.47Å; T227-Q230 PolarHBondContact OG1-N 3.38Å; T227-Q230 PolarHBondContact OG1-OE1 2.69Å; Q230-H233 PolarHBondContact O-N 3.38Å; Q230-I234 PolarHBondContact O-N 3.5Å; Q230-I234 VanDerWaalsContact O-N 3.15Å
231	V	98.4	Very high	97.6	Very high	1 Å²	1	72.7 Å²	72.7	1%	0.006	36%	0.36	C	S	.	.	H	α-helix	trans	-66.1	-40.7	176.5	179.3	0	0	0	0	111	F144 F147 K148 L151 P226 T227 D228 E229 I234 K235	F144-V231 HydrophobicContact CB-CG1 4.23Å; F144-V231 HydrophobicContact CD1-CG1 4Å; F147-V231 HydrophobicContact CB-CG1 3.86Å; K148-V231 HydrophobicContact CB-CG1 4.36Å; K148-V231 HydrophobicContact CB-CG2 4.01Å; K148-V231 HydrophobicContact CG-CG2 4.29Å; L151-V231 HydrophobicContact CD1-CG2 4.01Å; P226-V231 HydrophobicContact CB-CG2 4.09Å; P226-V231 HydrophobicContact CG-CG2 4.2Å; T227-V231 WeakPolarHBondContact O-CG2 3.41Å; T227-V231 PolarHBondContact O-N 3.19Å; T227-V231 VanDerWaalsContact O-N 3.08Å; D228-V231 PolarHBondContact O-N 3.28Å; E229-V231 VanDerWaalsContact C-N 3.34Å; E229-V231 PolarHBondContact O-N 2.95Å; V231-I234 WeakPolarHBondContact O-CG2 3.24Å; V231-K235 WeakPolarHBondContact O-CB 3.3Å; V231-K235 PolarHBondContact O-N 2.73Å; V231-K235 VanDerWaalsContact O-N 3.16Å
232	A	98.1	Very high	97.8	Very high	45 Å²	45	64.9 Å²	64.9	37%	0.372	32%	0.324	S	S	.	.	H	α-helix	trans	-65.7	-41.4	177.1	0	0	0	0	0	111.9	D228 E229 K235 Q236	D228-A232 VanDerWaalsContact O-CB 3.29Å; D228-A232 WeakPolarHBondContact O-CB 3.45Å; D228-A232 PolarHBondContact O-N 3.12Å; E229-A232 PolarHBondContact O-N 3.29Å; A232-K235 PolarHBondContact O-N 3.1Å; A232-Q236 WeakPolarHBondContact O-CB 3.34Å; A232-Q236 PolarHBondContact O-N 2.81Å
233	H	98	Very high	97.8	Very high	124 Å²	124	63.8 Å²	63.8	57%	0.574	32%	0.316	S	S	*	.	H	α-helix	trans	-61.4	-52.7	178.3	179.9	65.3	0	0	0	112.1	E229 Q230 K235 Q236 I237	E229-H233 WeakPolarHBondContact O-CB 3.46Å; E229-H233 PolarHBondContact O-N 3.34Å; Q230-H233 PolarHBondContact O-N 3.38Å; H233-K235 VanDerWaalsContact C-N 3.26Å; H233-K235 PolarHBondContact O-N 3.17Å; H233-Q236 WeakPolarHBondContact O-CB 3.38Å; H233-Q236 PolarHBondContact O-N 3.19Å; H233-Q236 VanDerWaalsContact O-N 3.08Å; H233-I237 WeakPolarHBondContact NE2-CD1 3.34Å; H233-I237 PolarHBondContact O-N 3.25Å; H233-I237 VanDerWaalsContact O-N 3.08Å
234	I	98	Very high	97.8	Very high	12 Å²	12	65 Å²	65	6%	0.062	33%	0.326	C	S	.	.	H	α-helix	trans	-65	-33.7	-179.3	-162.6	66.3	0	0	0	112.1	F147 L151 L157 I218 Q230 V231 Q236 I237 Y238	F147-I234 HydrophobicContact CB-CG2 3.91Å; F147-I234 HydrophobicContact CD1-CG2 4.43Å; L151-I234 HydrophobicContact CD1-CG2 3.96Å; L151-I234 HydrophobicContact CD2-CG2 4.46Å; L151-I234 HydrophobicContact CG-CG2 4.2Å; L157-I234 HydrophobicContact CD1-CG1 3.65Å; L157-I234 HydrophobicContact CD1-CG2 4.47Å; I218-I234 HydrophobicContact CG2-CD1 3.51Å; I218-I234 HydrophobicContact CG2-CG1 4.48Å; Q230-I234 PolarHBondContact O-N 3.5Å; Q230-I234 VanDerWaalsContact O-N 3.15Å; V231-I234 WeakPolarHBondContact O-CG2 3.24Å; I234-Q236 VanDerWaalsContact C-N 3.35Å; I234-I237 HydrophobicContact CD1-CD1 4.4Å; I234-I237 PolarHBondContact O-N 3.3Å; I234-Y238 WeakPolarHBondContact O-CB 3.34Å; I234-Y238 PolarHBondContact O-N 2.81Å
235	K	98.2	Very high	97.8	Very high	13 Å²	13	59.3 Å²	59.3	6%	0.057	30%	0.295	C	S	.	.	H	α-helix	trans	-65.1	-38.3	173.9	172.5	173.6	170.7	177.2	0	112.2	I140 N141 F144 F147 V231 A232 H233 Y238 K239	I140-K235 HydrophobicContact CG2-CG 4.44Å; I140-K235 WeakPolarHBondContact O-CE 3.32Å; I140-K235 PolarHBondContact O-NZ 3.33Å; I140-K235 VanDerWaalsContact O-NZ 3.1Å; N141-K235 PolarHBondContact O-NZ 3.2Å; F144-K235 HydrophobicContact CD1-CD 4.4Å; F144-K235 HydrophobicContact CE1-CD 4.3Å; F147-K235 HydrophobicContact CB-CB 4.44Å; F147-K235 HydrophobicContact CD1-CB 3.89Å; F147-K235 HydrophobicContact CD1-CG 4.43Å; F147-K235 HydrophobicContact CD2-CB 3.76Å; F147-K235 HydrophobicContact CD2-CD 3.68Å; F147-K235 HydrophobicContact CD2-CG 3.79Å; F147-K235 HydrophobicContact CE1-CB 4.08Å; F147-K235 HydrophobicContact CE1-CG 4.2Å; F147-K235 HydrophobicContact CE2-CB 3.96Å; F147-K235 HydrophobicContact CE2-CD 3.6Å; F147-K235 HydrophobicContact CE2-CG 3.52Å; F147-K235 HydrophobicContact CG-CB 3.73Å; F147-K235 HydrophobicContact CG-CD 4.47Å; F147-K235 HydrophobicContact CG-CG 4.25Å; F147-K235 HydrophobicContact CZ-CB 4.12Å; F147-K235 HydrophobicContact CZ-CD 4.34Å; F147-K235 HydrophobicContact CZ-CG 3.75Å; V231-K235 WeakPolarHBondContact O-CB 3.3Å; V231-K235 PolarHBondContact O-N 2.73Å; V231-K235 VanDerWaalsContact O-N 3.16Å; A232-K235 PolarHBondContact O-N 3.1Å; H233-K235 VanDerWaalsContact C-N 3.26Å; H233-K235 PolarHBondContact O-N 3.17Å; K235-Y238 WeakPolarHBondContact O-CB 3.43Å; K235-Y238 PolarHBondContact O-N 2.95Å; K235-K239 WeakPolarHBondContact O-CG 3.26Å; K235-K239 PolarHBondContact O-N 2.97Å
236	Q	98.2	Very high	97.8	Very high	90 Å²	90	51.2 Å²	51.2	42%	0.421	26%	0.257	S	S	.	.	H	α-helix	trans	-65.8	-46.5	176.7	-177.6	56	29.3	0	0	111	A232 H233 I234 Y238 K239 E240	A232-Q236 WeakPolarHBondContact O-CB 3.34Å; A232-Q236 PolarHBondContact O-N 2.81Å; H233-Q236 WeakPolarHBondContact O-CB 3.38Å; H233-Q236 PolarHBondContact O-N 3.19Å; H233-Q236 VanDerWaalsContact O-N 3.08Å; I234-Q236 VanDerWaalsContact C-N 3.35Å; Q236-Y238 VanDerWaalsContact C-N 3.26Å; Q236-Y238 PolarHBondContact O-N 3.41Å; Q236-K239 PolarHBondContact O-N 2.7Å; Q236-K239 VanDerWaalsContact O-N 3.1Å; Q236-E240 WeakPolarHBondContact CG-OE1 3.43Å; Q236-E240 PolarHBondContact NE2-OE1 2.71Å; Q236-E240 WeakPolarHBondContact O-CG 3.14Å; Q236-E240 PolarHBondContact O-N 2.82Å
237	I	98.2	Very high	97.8	Very high	45 Å²	45	56 Å²	56	23%	0.231	28%	0.279	C	S	.	.	H	α-helix	trans	-55.9	-43.6	172.8	-64.9	169.9	0	0	0	110.7	I218 H233 I234 K239 E240 K241	I218-I237 HydrophobicContact CD1-CG2 4.13Å; I218-I237 HydrophobicContact CG1-CG2 4.36Å; I218-I237 HydrophobicContact CG2-CG2 3.97Å; H233-I237 WeakPolarHBondContact NE2-CD1 3.34Å; H233-I237 PolarHBondContact O-N 3.25Å; H233-I237 VanDerWaalsContact O-N 3.08Å; I234-I237 HydrophobicContact CD1-CD1 4.4Å; I234-I237 PolarHBondContact O-N 3.3Å; I237-K239 PolarHBondContact O-N 2.88Å; I237-E240 PolarHBondContact O-N 2.92Å; I237-K241 HydrophobicContact CG2-CG 4.46Å; I237-K241 WeakPolarHBondContact O-CG 3.45Å; I237-K241 PolarHBondContact O-N 3.39Å
238	Y	98.4	Very high	97.7	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-60.6	-43.9	177.2	-178.7	-84.3	0	0	0	112.7	G40 H42 L122 I140 F146 F147 L157 P159 I218 I234 K235 Q236 K241 L242	G40-Y238 VanDerWaalsContact CA-OH 3.24Å; G40-Y238 WeakPolarHBondContact CA-OH 3.2Å; G40-Y238 PolarHBondContact O-OH 3.36Å; H42-Y238 PolarHBondContact CD2-OH 3.32Å; H42-Y238 AromaticContact NE2-CE1 3.67Å; H42-Y238 AromaticContact NE2-CZ 3.69Å; H42-Y238 PolarHBondContact NE2-OH 3.42Å; L122-Y238 HydrophobicContact CD2-CE1 4.35Å; I140-Y238 HydrophobicContact CD1-CE1 4.08Å; F146-Y238 HydrophobicContact CE1-CE2 4.27Å; F147-Y238 AromaticContact CE1-CD1 3.75Å; F147-Y238 HydrophobicContact CE1-CD1 3.75Å; F147-Y238 HydrophobicContact CE1-CD2 4.06Å; F147-Y238 HydrophobicContact CE1-CE1 4.44Å; F147-Y238 AromaticContact CE1-CG 3.54Å; F147-Y238 HydrophobicContact CE1-CG 3.54Å; F147-Y238 AromaticContact CZ-CD1 3.92Å; F147-Y238 HydrophobicContact CZ-CD1 3.92Å; F147-Y238 HydrophobicContact CZ-CE1 4.43Å; F147-Y238 HydrophobicContact CZ-CG 4.2Å; L157-Y238 HydrophobicContact CB-CD2 4.36Å; P159-Y238 HydrophobicContact CB-CD2 4.43Å; P159-Y238 HydrophobicContact CB-CE2 3.93Å; I218-Y238 HydrophobicContact CD1-CD2 3.99Å; I218-Y238 HydrophobicContact CD1-CG 4.42Å; I234-Y238 WeakPolarHBondContact O-CB 3.34Å; I234-Y238 PolarHBondContact O-N 2.81Å; K235-Y238 WeakPolarHBondContact O-CB 3.43Å; K235-Y238 PolarHBondContact O-N 2.95Å; Q236-Y238 VanDerWaalsContact C-N 3.26Å; Q236-Y238 PolarHBondContact O-N 3.41Å; Y238-K241 PolarHBondContact O-N 3.36Å; Y238-L242 HydrophobicContact CE1-CB 4.49Å; Y238-L242 HydrophobicContact CE1-CD2 3.97Å; Y238-L242 VanDerWaalsContact O-CB 3.28Å; Y238-L242 WeakPolarHBondContact O-CB 3.31Å; Y238-L242 PolarHBondContact O-N 3Å
239	K	98.2	Very high	97.6	Very high	35 Å²	35	53.1 Å²	53.1	15%	0.152	26%	0.258	C	S	.	.	H	α-helix	trans	-63.6	-41.1	177.3	-72.8	175	64.6	172.6	0	111.6	I140 N141 K235 Q236 I237 L242 R243 F262	I140-K239 HydrophobicContact CG2-CD 4.4Å; I140-K239 HydrophobicContact CG2-CG 4.19Å; N141-K239 PolarHBondContact OD1-NZ 2.89Å; K235-K239 WeakPolarHBondContact O-CG 3.26Å; K235-K239 PolarHBondContact O-N 2.97Å; Q236-K239 PolarHBondContact O-N 2.7Å; Q236-K239 VanDerWaalsContact O-N 3.1Å; I237-K239 PolarHBondContact O-N 2.88Å; K239-L242 PolarHBondContact O-N 2.87Å; K239-R243 WeakPolarHBondContact O-CB 3.49Å; K239-R243 PolarHBondContact O-N 3.14Å; K239-F262 HydrophobicContact CB-CE1 4.32Å; K239-F262 HydrophobicContact CB-CE2 4.14Å; K239-F262 HydrophobicContact CB-CZ 4.03Å; K239-F262 HydrophobicContact CD-CG 4.43Å; K239-F262 VanDerWaalsContact CE-CB 3.49Å; K239-F262 VanDerWaalsContact CE-CD2 3.49Å; K239-F262 HydrophobicContact CG-CD1 4.2Å; K239-F262 HydrophobicContact CG-CE1 4.17Å; K239-F262 HydrophobicContact CG-CG 4.47Å; K239-F262 HydrophobicContact CG-CZ 4.37Å; K239-F262 WeakPolarHBondContact O-CZ 3.26Å
240	E	98	Very high	97.5	Very high	98 Å²	98	48.6 Å²	48.6	46%	0.458	24%	0.237	S	C	.	.	H	α-helix	trans	-63.7	-47.9	176.8	-71.9	163.6	-172.3	0	0	111.6	Q236 I237 L242 R243 T244	Q236-E240 WeakPolarHBondContact CG-OE1 3.43Å; Q236-E240 PolarHBondContact NE2-OE1 2.71Å; Q236-E240 WeakPolarHBondContact O-CG 3.14Å; Q236-E240 PolarHBondContact O-N 2.82Å; I237-E240 PolarHBondContact O-N 2.92Å; E240-L242 PolarHBondContact O-N 3.01Å; E240-R243 PolarHBondContact O-N 3.28Å; E240-T244 PolarHBondContact O-N 3.09Å; E240-T244 PolarHBondContact O-OG1 3.18Å
241	K	97.6	Very high	97.3	Very high	73 Å²	73	48.7 Å²	48.7	32%	0.317	25%	0.25	S	S	.	.	H	α-helix	trans	-63.8	-39	175.7	-70.5	-148.7	-174.6	-173.1	0	112.7	P159 P217 I218 I237 Y238 T244 L245	P159-K241 HydrophobicContact CG-CB 4.04Å; P217-K241 PolarHBondContact O-NZ 2.87Å; P217-K241 VanDerWaalsContact O-NZ 3.12Å; I218-K241 HydrophobicContact CD1-CB 4.43Å; I218-K241 HydrophobicContact CD1-CD 4.01Å; I218-K241 HydrophobicContact CD1-CG 4.3Å; I218-K241 HydrophobicContact CG1-CD 3.6Å; I218-K241 HydrophobicContact CG1-CG 4.39Å; I237-K241 HydrophobicContact CG2-CG 4.46Å; I237-K241 WeakPolarHBondContact O-CG 3.45Å; I237-K241 PolarHBondContact O-N 3.39Å; Y238-K241 PolarHBondContact O-N 3.36Å; K241-T244 PolarHBondContact O-N 3.14Å; K241-L245 VanDerWaalsContact O-CB 3.31Å; K241-L245 WeakPolarHBondContact O-CB 3.28Å; K241-L245 PolarHBondContact O-N 2.94Å
242	L	97.6	Very high	97.2	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-66.8	-38.1	176.8	-179.1	59.3	0	0	0	111.8	I140 P159 I161 Y238 K239 E240 F246 F262	I140-L242 HydrophobicContact CD1-CD2 3.76Å; P159-L242 HydrophobicContact CB-CB 3.99Å; P159-L242 HydrophobicContact CB-CD1 4.09Å; I161-L242 HydrophobicContact CB-CD1 4.14Å; I161-L242 HydrophobicContact CD1-CD1 4.39Å; Y238-L242 HydrophobicContact CE1-CB 4.49Å; Y238-L242 HydrophobicContact CE1-CD2 3.97Å; Y238-L242 VanDerWaalsContact O-CB 3.28Å; Y238-L242 WeakPolarHBondContact O-CB 3.31Å; Y238-L242 PolarHBondContact O-N 3Å; K239-L242 PolarHBondContact O-N 2.87Å; E240-L242 PolarHBondContact O-N 3.01Å; L242-F246 WeakPolarHBondContact O-CB 3.24Å; L242-F246 PolarHBondContact O-N 2.8Å; L242-F262 HydrophobicContact CD2-CE1 4.02Å
243	R	97.8	Very high	97	Very high	64 Å²	64	54.3 Å²	54.3	24%	0.242	27%	0.27	C	S	.	.	H	α-helix	trans	-64.6	-47	173.6	175.5	171.9	-66.6	-78.2	-5	111.6	K239 E240 L245 F246 E247 D259 I260 F262	K239-R243 WeakPolarHBondContact O-CB 3.49Å; K239-R243 PolarHBondContact O-N 3.14Å; E240-R243 PolarHBondContact O-N 3.28Å; R243-L245 PolarHBondContact O-N 2.93Å; R243-F246 WeakPolarHBondContact O-CB 3.18Å; R243-F246 PolarHBondContact O-N 2.7Å; R243-F246 VanDerWaalsContact O-N 3.1Å; R243-E247 WeakPolarHBondContact CD-OE1 3.23Å; R243-E247 HydrophobicContact CG-CG 4.37Å; R243-E247 WeakPolarHBondContact CG-OE1 3.45Å; R243-E247 IonicContact NH1-OE1 3.56Å; R243-E247 WeakPolarHBondContact O-CG 3.32Å; R243-E247 PolarHBondContact O-N 3.34Å; R243-D259 IonicContact CZ-OD2 2.81Å; R243-D259 VanDerWaalsContact NH1-CG 3.3Å; R243-D259 IonicContact NH1-OD1 2.7Å; R243-D259 PolarHBondContact NH1-OD1 3.33Å; R243-D259 IonicContact NH1-OD2 3.14Å; R243-D259 PolarHBondContact NH1-OD2 3.14Å; R243-I260 PolarHBondContact NH2-O 3.05Å; R243-F262 HydrophobicContact CB-CE2 4.3Å; R243-F262 HydrophobicContact CB-CZ 4.34Å
244	T	96.9	Very high	96.9	Very high	69 Å²	69	49.6 Å²	49.6	42%	0.423	25%	0.249	S	C	.	.	H	α-helix	trans	-57.2	-50.6	176.3	-51.3	0	0	0	0	110.2	E240 K241 F246 E247 D248	E240-T244 PolarHBondContact O-N 3.09Å; E240-T244 PolarHBondContact O-OG1 3.18Å; K241-T244 PolarHBondContact O-N 3.14Å; T244-F246 PolarHBondContact O-N 2.81Å; T244-E247 PolarHBondContact O-N 3.19Å; T244-D248 PolarHBondContact O-N 3.49Å
245	L	95.8	Very high	96.7	Very high	5 Å²	5	53.1 Å²	53.1	3%	0.026	27%	0.272	C	S	.	.	H	α-helix	trans	-57.6	-34.5	177	-167.3	70	0	0	0	112.9	H8 I161 V213 K241 R243 Y249	H8-L245 HydrophobicContact CB-CD1 3.88Å; I161-L245 HydrophobicContact CB-CD2 4.41Å; I161-L245 HydrophobicContact CG2-CD2 3.74Å; I161-L245 HydrophobicContact CG2-CG 3.93Å; V213-L245 HydrophobicContact CG1-CD1 3.64Å; V213-L245 HydrophobicContact CG1-CD2 4.4Å; V213-L245 HydrophobicContact CG1-CG 4.14Å; K241-L245 VanDerWaalsContact O-CB 3.31Å; K241-L245 WeakPolarHBondContact O-CB 3.28Å; K241-L245 PolarHBondContact O-N 2.94Å; R243-L245 PolarHBondContact O-N 2.93Å; L245-Y249 HydrophobicContact CD1-CD2 4.23Å; L245-Y249 HydrophobicContact CD1-CE2 4.01Å; L245-Y249 WeakPolarHBondContact O-CD2 3.2Å
246	F	97.1	Very high	96.5	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-70.6	-49.5	174.4	176.2	-106.8	0	0	0	111.7	Y136 I161 F163 L242 R243 T244 D248 Y249 K250 A257 N258 I260	Y136-F246 HydrophobicContact CD1-CD2 4.31Å; Y136-F246 AromaticContact CD1-CE2 3.81Å; Y136-F246 HydrophobicContact CD1-CE2 3.81Å; Y136-F246 AromaticContact CD2-CE2 3.75Å; Y136-F246 HydrophobicContact CD2-CE2 3.75Å; Y136-F246 AromaticContact CD2-CZ 3.97Å; Y136-F246 HydrophobicContact CD2-CZ 3.97Å; Y136-F246 HydrophobicContact CE1-CD2 4.48Å; Y136-F246 AromaticContact CE1-CE2 3.95Å; Y136-F246 HydrophobicContact CE1-CE2 3.95Å; Y136-F246 AromaticContact CE2-CE2 3.93Å; Y136-F246 HydrophobicContact CE2-CE2 3.93Å; Y136-F246 HydrophobicContact CE2-CZ 4.38Å; Y136-F246 AromaticContact CG-CE2 3.71Å; Y136-F246 HydrophobicContact CG-CE2 3.71Å; Y136-F246 HydrophobicContact CG-CZ 4.16Å; I161-F246 HydrophobicContact CD1-CB 3.75Å; I161-F246 HydrophobicContact CD1-CD2 3.44Å; I161-F246 VanDerWaalsContact CD1-CD2 3.44Å; I161-F246 HydrophobicContact CD1-CE2 4.43Å; I161-F246 HydrophobicContact CD1-CG 4.02Å; F163-F246 HydrophobicContact CD1-CD2 4.49Å; F163-F246 HydrophobicContact CD1-CE2 4.41Å; F163-F246 AromaticContact CE1-CD2 3.46Å; F163-F246 HydrophobicContact CE1-CD2 3.46Å; F163-F246 VanDerWaalsContact CE1-CD2 3.46Å; F163-F246 AromaticContact CE1-CE2 3.67Å; F163-F246 HydrophobicContact CE1-CE2 3.67Å; F163-F246 AromaticContact CZ-CD2 3.85Å; F163-F246 HydrophobicContact CZ-CD2 3.85Å; F163-F246 HydrophobicContact CZ-CE2 4.49Å; L242-F246 WeakPolarHBondContact O-CB 3.24Å; L242-F246 PolarHBondContact O-N 2.8Å; R243-F246 WeakPolarHBondContact O-CB 3.18Å; R243-F246 PolarHBondContact O-N 2.7Å; R243-F246 VanDerWaalsContact O-N 3.1Å; T244-F246 PolarHBondContact O-N 2.81Å; F246-D248 VanDerWaalsContact C-N 3.31Å; F246-D248 PolarHBondContact O-N 3.47Å; F246-Y249 PolarHBondContact O-N 2.87Å; F246-K250 HydrophobicContact CD1-CD 4.38Å; F246-K250 HydrophobicContact CD2-CB 4.48Å; F246-K250 HydrophobicContact CE1-CB 4.34Å; F246-K250 HydrophobicContact CE1-CD 3.6Å; F246-K250 HydrophobicContact CE1-CG 4.21Å; F246-K250 HydrophobicContact CE2-CB 4.31Å; F246-K250 HydrophobicContact CE2-CG 4.31Å; F246-K250 HydrophobicContact CZ-CB 4.24Å; F246-K250 HydrophobicContact CZ-CD 3.68Å; F246-K250 HydrophobicContact CZ-CG 3.92Å; F246-K250 WeakPolarHBondContact O-CA 3.09Å; F246-K250 WeakPolarHBondContact O-CB 3.48Å; F246-K250 PolarHBondContact O-N 3.48Å; F246-A257 HydrophobicContact CZ-CB 4.12Å; F246-N258 VanDerWaalsContact CZ-O 3.28Å; F246-N258 WeakPolarHBondContact CZ-O 3.36Å; F246-I260 HydrophobicContact CB-CD1 3.26Å; F246-I260 HydrophobicContact CB-CG1 4.17Å; F246-I260 HydrophobicContact CD1-CB 4.49Å; F246-I260 HydrophobicContact CD1-CD1 3.66Å; F246-I260 HydrophobicContact CD1-CG1 3.58Å; F246-I260 HydrophobicContact CD2-CD1 3.85Å; F246-I260 HydrophobicContact CD2-CG1 4.02Å; F246-I260 HydrophobicContact CE1-CD1 4.39Å; F246-I260 HydrophobicContact CE1-CG1 3.83Å; F246-I260 HydrophobicContact CE2-CG1 4.25Å; F246-I260 HydrophobicContact CG-CD1 3.31Å; F246-I260 HydrophobicContact CG-CG1 3.66Å; F246-I260 HydrophobicContact CZ-CG1 4.16Å
247	E	97	Very high	96.4	Very high	104 Å²	104	56.5 Å²	56.5	49%	0.486	29%	0.29	S	S	.	.	H	α-helix	trans	-59.2	-41.4	-178.9	-72.2	169.1	-174.3	0	0	111.8	R243 T244 Y249	R243-E247 WeakPolarHBondContact CD-OE1 3.23Å; R243-E247 HydrophobicContact CG-CG 4.37Å; R243-E247 WeakPolarHBondContact CG-OE1 3.45Å; R243-E247 IonicContact NH1-OE1 3.56Å; R243-E247 WeakPolarHBondContact O-CG 3.32Å; R243-E247 PolarHBondContact O-N 3.34Å; T244-E247 PolarHBondContact O-N 3.19Å; E247-Y249 VanDerWaalsContact C-N 3.29Å; E247-Y249 PolarHBondContact O-N 2.96Å
248	D	95.7	Very high	96.2	Very high	80 Å²	80	59.3 Å²	59.3	43%	0.428	31%	0.305	S	S	.	.	H	α-helix	trans	-61.9	-34.1	179.9	-65.8	-23.5	0	0	0	113.1	H8 T244 F246	H8-D248 IonicContact NE2-OD2 3.42Å; T244-D248 PolarHBondContact O-N 3.49Å; F246-D248 VanDerWaalsContact C-N 3.31Å; F246-D248 PolarHBondContact O-N 3.47Å
249	Y	95.9	Very high	96.1	Very high	38 Å²	38	63.5 Å²	63.5	15%	0.149	33%	0.328	C	S	.	.	H	α-helix	trans	-114.2	-14.5	-171.2	-73.1	-79.4	0	0	0	114.8	H8 V213 L245 F246 E247 A251 I252 Y253	H8-Y249 HydrophobicContact CB-CE2 4.31Å; H8-Y249 AromaticContact CD2-CE2 3.46Å; H8-Y249 VanDerWaalsContact CD2-CE2 3.46Å; H8-Y249 WeakPolarHBondContact CD2-CE2 3.45Å; H8-Y249 AromaticContact CD2-CZ 3.78Å; H8-Y249 PolarHBondContact CD2-OH 3.25Å; H8-Y249 VanDerWaalsContact CD2-OH 3.29Å; V213-Y249 HydrophobicContact CB-CD2 4.42Å; V213-Y249 HydrophobicContact CB-CE2 4.48Å; V213-Y249 HydrophobicContact CG1-CD2 3.84Å; V213-Y249 HydrophobicContact CG1-CE2 3.47Å; V213-Y249 VanDerWaalsContact CG1-CE2 3.47Å; V213-Y249 HydrophobicContact CG1-CG 4.48Å; V213-Y249 HydrophobicContact CG2-CD1 4.17Å; V213-Y249 HydrophobicContact CG2-CD2 4.12Å; V213-Y249 HydrophobicContact CG2-CE1 4.44Å; V213-Y249 HydrophobicContact CG2-CE2 4.39Å; V213-Y249 HydrophobicContact CG2-CG 3.97Å; L245-Y249 HydrophobicContact CD1-CD2 4.23Å; L245-Y249 HydrophobicContact CD1-CE2 4.01Å; L245-Y249 WeakPolarHBondContact O-CD2 3.2Å; F246-Y249 PolarHBondContact O-N 2.87Å; E247-Y249 VanDerWaalsContact C-N 3.29Å; E247-Y249 PolarHBondContact O-N 2.96Å; Y249-A251 VanDerWaalsContact C-N 3.34Å; Y249-A251 PolarHBondContact O-N 3.4Å; Y249-I252 HydrophobicContact CD1-CD1 4.37Å; Y249-I252 PolarHBondContact O-N 2.93Å; Y249-Y253 HydrophobicContact CD1-CD2 4.01Å; Y249-Y253 AromaticContact CD1-CE2 3.35Å; Y249-Y253 HydrophobicContact CD1-CE2 3.35Å; Y249-Y253 HydrophobicContact CE1-CE2 4.07Å; Y249-Y253 HydrophobicContact CG-CD2 4.32Å; Y249-Y253 HydrophobicContact CG-CE2 4.03Å; Y249-Y253 PolarHBondContact O-N 3.3Å
250	K	95.6	Very high	96	Very high	47 Å²	47	62.1 Å²	62.1	20%	0.204	32%	0.322	C	S	.	.	H	α-helix	trans	-54.3	-49.5	-179.5	174.5	-168.7	179	169	0	111.4	F163 F246 I252 Y253 D254 A257	F163-K250 HydrophobicContact CE1-CB 4.21Å; F246-K250 HydrophobicContact CD1-CD 4.38Å; F246-K250 HydrophobicContact CD2-CB 4.48Å; F246-K250 HydrophobicContact CE1-CB 4.34Å; F246-K250 HydrophobicContact CE1-CD 3.6Å; F246-K250 HydrophobicContact CE1-CG 4.21Å; F246-K250 HydrophobicContact CE2-CB 4.31Å; F246-K250 HydrophobicContact CE2-CG 4.31Å; F246-K250 HydrophobicContact CZ-CB 4.24Å; F246-K250 HydrophobicContact CZ-CD 3.68Å; F246-K250 HydrophobicContact CZ-CG 3.92Å; F246-K250 WeakPolarHBondContact O-CA 3.09Å; F246-K250 WeakPolarHBondContact O-CB 3.48Å; F246-K250 PolarHBondContact O-N 3.48Å; K250-I252 PolarHBondContact O-N 3.08Å; K250-I252 VanDerWaalsContact O-N 3.15Å; K250-Y253 PolarHBondContact O-N 2.85Å; K250-D254 WeakPolarHBondContact CG-O 3.4Å; K250-D254 CarbonylContact O-C 3.37Å; K250-D254 WeakPolarHBondContact O-CA 3.23Å; K250-D254 PolarHBondContact O-N 2.85Å; K250-A257 WeakPolarHBondContact CE-O 3.39Å; K250-A257 HydrophobicContact CG-CB 4.2Å; K250-A257 PolarHBondContact NZ-O 2.84Å
251	A	95.5	Very high	95.9	Very high	79 Å²	79	62.1 Å²	62.1	65%	0.653	32%	0.322	S	S	*	.	H	α-helix	trans	-61	-26.2	-178.3	0	0	0	0	0	113	Y249	Y249-A251 VanDerWaalsContact C-N 3.34Å; Y249-A251 PolarHBondContact O-N 3.4Å
252	I	95.4	Very high	95.9	Very high	113 Å²	113	60.2 Å²	60.2	58%	0.579	31%	0.314	S	S	*	.	H	α-helix	trans	-87.1	-46.8	-178.6	-54.3	174	0	0	0	110.9	Y249 K250	Y249-I252 HydrophobicContact CD1-CD1 4.37Å; Y249-I252 PolarHBondContact O-N 2.93Å; K250-I252 PolarHBondContact O-N 3.08Å; K250-I252 VanDerWaalsContact O-N 3.15Å
253	Y	95	Very high	95.7	Very high	52 Å²	52	62.3 Å²	62.3	20%	0.204	33%	0.326	C	S	.	.	H	α-helix	trans	-104	-23.1	-168.4	-61.7	-40.9	0	0	0	115.2	N6 F163 Y211 V213 Y249 K250	N6-Y253 PolarHBondContact ND2-OH 3.31Å; F163-Y253 AromaticContact CD2-CD2 3.79Å; F163-Y253 HydrophobicContact CD2-CD2 3.79Å; F163-Y253 HydrophobicContact CD2-CG 4.39Å; F163-Y253 HydrophobicContact CE2-CD2 4.1Å; F163-Y253 HydrophobicContact CG-CD2 4.39Å; Y211-Y253 AromaticContact CD1-CD1 3.78Å; Y211-Y253 HydrophobicContact CD1-CD1 3.78Å; Y211-Y253 AromaticContact CD1-CE1 3.78Å; Y211-Y253 HydrophobicContact CD1-CE1 3.78Å; Y211-Y253 HydrophobicContact CD1-CG 4.44Å; Y211-Y253 AromaticContact CD2-CD1 3.63Å; Y211-Y253 HydrophobicContact CD2-CD1 3.63Å; Y211-Y253 HydrophobicContact CD2-CE1 4.47Å; Y211-Y253 AromaticContact CD2-CG 3.84Å; Y211-Y253 HydrophobicContact CD2-CG 3.84Å; Y211-Y253 HydrophobicContact CE1-CD1 4.19Å; Y211-Y253 HydrophobicContact CE1-CE1 4.22Å; Y211-Y253 HydrophobicContact CE2-CD1 4.04Å; Y211-Y253 AromaticContact CG-CD1 3.48Å; Y211-Y253 HydrophobicContact CG-CD1 3.48Å; Y211-Y253 VanDerWaalsContact CG-CD1 3.48Å; Y211-Y253 HydrophobicContact CG-CD2 4.31Å; Y211-Y253 AromaticContact CG-CE1 3.92Å; Y211-Y253 HydrophobicContact CG-CE1 3.92Å; Y211-Y253 AromaticContact CG-CG 3.74Å; Y211-Y253 HydrophobicContact CG-CG 3.74Å; V213-Y253 HydrophobicContact CG2-CD2 4.24Å; V213-Y253 HydrophobicContact CG2-CE2 3.85Å; Y249-Y253 HydrophobicContact CD1-CD2 4.01Å; Y249-Y253 AromaticContact CD1-CE2 3.35Å; Y249-Y253 HydrophobicContact CD1-CE2 3.35Å; Y249-Y253 HydrophobicContact CE1-CE2 4.07Å; Y249-Y253 HydrophobicContact CG-CD2 4.32Å; Y249-Y253 HydrophobicContact CG-CE2 4.03Å; Y249-Y253 PolarHBondContact O-N 3.3Å; K250-Y253 PolarHBondContact O-N 2.85Å
254	D	94.9	Very high	95.6	Very high	24 Å²	24	62.2 Å²	62.2	13%	0.128	33%	0.33	C	S	.	.			trans	-153.4	68.4	178.2	-160.9	-3.3	0	0	0	111	Y136 F163 K250 E256 A257	Y136-D254 WeakPolarHBondContact CE2-OD2 3.27Å; Y136-D254 PolarHBondContact OH-OD2 3.41Å; F163-D254 HydrophobicContact CD1-CB 3.91Å; K250-D254 WeakPolarHBondContact CG-O 3.4Å; K250-D254 CarbonylContact O-C 3.37Å; K250-D254 WeakPolarHBondContact O-CA 3.23Å; K250-D254 PolarHBondContact O-N 2.85Å; D254-E256 PolarHBondContact O-N 2.7Å; D254-E256 VanDerWaalsContact O-N 3.15Å; D254-A257 HydrophobicContact CB-CB 4.03Å; D254-A257 WeakPolarHBondContact O-CB 3.42Å; D254-A257 PolarHBondContact O-N 3.39Å
255	P	94.9	Very high	95.6	Very high	86 Å²	86	61.8 Å²	61.8	56%	0.558	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-24.9	-172.7	22.6	-33.7	0	0	0	113.8	A257	P255-A257 VanDerWaalsContact C-N 3.33Å
256	E	93.7	Very high	95.5	Very high	168 Å²	168	65 Å²	65	79%	0.785	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	2	178.8	-58.9	-60.7	139.5	0	0	113	D254	D254-E256 PolarHBondContact O-N 2.7Å; D254-E256 VanDerWaalsContact O-N 3.15Å
257	A	95.1	Very high	95.4	Very high	7 Å²	7	68.8 Å²	68.8	6%	0.058	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-64.5	145.4	-179.2	0	0	0	0	0	112.3	Y136 F246 K250 D254 P255	Y136-A257 HydrophobicContact CD2-CB 3.91Å; Y136-A257 HydrophobicContact CE2-CB 3.44Å; Y136-A257 VanDerWaalsContact CE2-CB 3.44Å; F246-A257 HydrophobicContact CZ-CB 4.12Å; K250-A257 WeakPolarHBondContact CE-O 3.39Å; K250-A257 HydrophobicContact CG-CB 4.2Å; K250-A257 PolarHBondContact NZ-O 2.84Å; D254-A257 HydrophobicContact CB-CB 4.03Å; D254-A257 WeakPolarHBondContact O-CB 3.42Å; D254-A257 PolarHBondContact O-N 3.39Å; P255-A257 VanDerWaalsContact C-N 3.33Å
258	N	95	Very high	95.4	Very high	103 Å²	103	66.6 Å²	66.6	55%	0.551	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-68.4	164.8	163.7	-65.8	-43.7	0	0	0	110.4	G134 F246	G134-N258 PolarHBondContact O-N 2.88Å; F246-N258 VanDerWaalsContact CZ-O 3.28Å; F246-N258 WeakPolarHBondContact CZ-O 3.36Å
259	D	95.2	Very high	95.3	Very high	89 Å²	89	65.7 Å²	65.7	48%	0.476	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-66.7	159	171.3	-168.8	25.6	0	0	0	111.8	R243 E261	R243-D259 IonicContact CZ-OD2 2.81Å; R243-D259 VanDerWaalsContact NH1-CG 3.3Å; R243-D259 IonicContact NH1-OD1 2.7Å; R243-D259 PolarHBondContact NH1-OD1 3.33Å; R243-D259 IonicContact NH1-OD2 3.14Å; R243-D259 PolarHBondContact NH1-OD2 3.14Å; D259-E261 PolarHBondContact O-N 2.88Å
260	I	96.4	Very high	95.3	Very high	6 Å²	6	67.7 Å²	67.7	3%	0.031	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-65.7	128.6	175.9	-74.8	178.1	0	0	0	110.6	Y136 M138 I161 R243 F246 F262	Y136-I260 WeakPolarHBondContact O-CA 3.33Å; M138-I260 HydrophobicContact CE-CD1 4.2Å; M138-I260 HydrophobicContact CE-CG1 4.41Å; M138-I260 HydrophobicContact CG-CG2 3.82Å; I161-I260 HydrophobicContact CD1-CD1 4.13Å; R243-I260 PolarHBondContact NH2-O 3.05Å; F246-I260 HydrophobicContact CB-CD1 3.26Å; F246-I260 HydrophobicContact CB-CG1 4.17Å; F246-I260 HydrophobicContact CD1-CB 4.49Å; F246-I260 HydrophobicContact CD1-CD1 3.66Å; F246-I260 HydrophobicContact CD1-CG1 3.58Å; F246-I260 HydrophobicContact CD2-CD1 3.85Å; F246-I260 HydrophobicContact CD2-CG1 4.02Å; F246-I260 HydrophobicContact CE1-CD1 4.39Å; F246-I260 HydrophobicContact CE1-CG1 3.83Å; F246-I260 HydrophobicContact CE2-CG1 4.25Å; F246-I260 HydrophobicContact CG-CD1 3.31Å; F246-I260 HydrophobicContact CG-CG1 3.66Å; F246-I260 HydrophobicContact CZ-CG1 4.16Å; I260-F262 HydrophobicContact CG2-CD1 3.93Å; I260-F262 HydrophobicContact CG2-CD2 4.02Å; I260-F262 HydrophobicContact CG2-CE1 3.64Å; I260-F262 HydrophobicContact CG2-CE2 3.77Å; I260-F262 HydrophobicContact CG2-CG 4.1Å; I260-F262 HydrophobicContact CG2-CZ 3.57Å
261	E	96.8	Very high	95.3	Very high	97 Å²	97	69.3 Å²	69.3	45%	0.453	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	118.9	167.1	-169.6	-168.6	161.5	0	0	109.3	Y136 V137 M138 D259 V263	Y136-E261 PolarHBondContact O-N 3.27Å; V137-E261 CarbonylContact C-O 3.55Å; V137-E261 WeakPolarHBondContact CA-O 3.37Å; V137-E261 HydrophobicContact CG2-CB 4.42Å; M138-E261 PolarHBondContact N-O 3.43Å; D259-E261 PolarHBondContact O-N 2.88Å; E261-V263 HydrophobicContact CG-CG1 3.8Å; E261-V263 WeakPolarHBondContact OE1-CG1 3.49Å
262	F	96.8	Very high	95.3	Very high	34 Å²	34	68.5 Å²	68.5	15%	0.149	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	114.2	173.6	-67.5	-65.9	0	0	0	110.6	M138 I140 N141 K239 L242 R243 I260	M138-F262 HydrophobicContact CB-CD1 3.79Å; M138-F262 HydrophobicContact CB-CE1 4.09Å; M138-F262 HydrophobicContact CG-CD1 4.37Å; M138-F262 HydrophobicContact CG-CE1 4.27Å; I140-F262 HydrophobicContact CD1-CD1 3.93Å; I140-F262 HydrophobicContact CD1-CE1 3.88Å; N141-F262 PolarHBondContact ND2-O 2.99Å; K239-F262 HydrophobicContact CB-CE1 4.32Å; K239-F262 HydrophobicContact CB-CE2 4.14Å; K239-F262 HydrophobicContact CB-CZ 4.03Å; K239-F262 HydrophobicContact CD-CG 4.43Å; K239-F262 VanDerWaalsContact CE-CB 3.49Å; K239-F262 VanDerWaalsContact CE-CD2 3.49Å; K239-F262 HydrophobicContact CG-CD1 4.2Å; K239-F262 HydrophobicContact CG-CE1 4.17Å; K239-F262 HydrophobicContact CG-CG 4.47Å; K239-F262 HydrophobicContact CG-CZ 4.37Å; K239-F262 WeakPolarHBondContact O-CZ 3.26Å; L242-F262 HydrophobicContact CD2-CE1 4.02Å; R243-F262 HydrophobicContact CB-CE2 4.3Å; R243-F262 HydrophobicContact CB-CZ 4.34Å; I260-F262 HydrophobicContact CG2-CD1 3.93Å; I260-F262 HydrophobicContact CG2-CD2 4.02Å; I260-F262 HydrophobicContact CG2-CE1 3.64Å; I260-F262 HydrophobicContact CG2-CE2 3.77Å; I260-F262 HydrophobicContact CG2-CG 4.1Å; I260-F262 HydrophobicContact CG2-CZ 3.57Å
263	V	94.1	Very high	95.2	Very high	43 Å²	43	64.5 Å²	64.5	26%	0.261	33%	0.332	S	S	.	.			trans	-116.6	0	-178.6	-59.8	0	0	0	0	114.2	V137 M138 H139 I140 N141 E261	V137-V263 HydrophobicContact CG1-CB 4.48Å; V137-V263 HydrophobicContact CG1-CG1 4.05Å; V137-V263 HydrophobicContact CG1-CG2 3.57Å; M138-V263 PolarHBondContact O-N 3.41Å; H139-V263 CarbonylContact C-O 3.49Å; H139-V263 WeakPolarHBondContact CA-O 3.26Å; H139-V263 HydrophobicContact CB-CG2 4.23Å; H139-V263 VanDerWaalsContact CG-CG2 3.5Å; I140-V263 PolarHBondContact N-O 2.92Å; N141-V263 WeakPolarHBondContact CB-O 3.4Å; N141-V263 VanDerWaalsContact CB-OXT 3.26Å; N141-V263 WeakPolarHBondContact CB-OXT 3.43Å; N141-V263 VanDerWaalsContact CG-C 3.46Å; N141-V263 PolarHBondContact N-O 3.25Å; N141-V263 WeakPolarHBondContact ND2-CA 3.48Å; N141-V263 PolarHBondContact ND2-OXT 2.81Å; N141-V263 VanDerWaalsContact ND2-OXT 3.09Å; E261-V263 HydrophobicContact CG-CG1 3.8Å; E261-V263 WeakPolarHBondContact OE1-CG1 3.49Å

Retrieved 263 of 263 residues in 777.2 ms (Link to these results)

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