A0A3B3VE58_9TELE Loading...

Suppressor of fused homolog

AlphaFold DB , UniProt , Accession A0A3B3VE58, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 471 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	36.7	Very low	33.9	Very low	241 Å²	241	151.5 Å²	151.5	100%	1.187	83%	0.834	S	S	*	*				0	77	0	-96.4	172.6	167.9	0	0	107.6
2	D	34.5	Very low	33.9	Very low	144 Å²	144	147.5 Å²	147.5	77%	0.77	84%	0.836	S	S	*	*			trans	36.8	105.2	140.7	-51.7	-23.6	0	0	0	120.4
3	E	35	Very low	34.1	Very low	183 Å²	183	148.8 Å²	148.8	86%	0.855	83%	0.831	S	S	*	*			trans	-56.5	126.3	145.4	-75.5	-174.9	138.9	0	0	110.2
4	I	34.2	Very low	34.6	Very low	155 Å²	155	143.4 Å²	143.4	80%	0.795	83%	0.825	S	S	*	*			trans	-105.6	104.8	168.3	-62.8	174.3	0	0	0	107.7
5	R	36.8	Very low	34.8	Very low	221 Å²	221	145.2 Å²	145.2	83%	0.834	83%	0.829	S	S	*	*			trans	-72.6	137.2	163.5	-66.8	-179.7	-174.8	-177.9	0.8	109.6
6	P	36	Very low	35.4	Very low	125 Å²	125	144.1 Å²	144.1	81%	0.812	83%	0.826	S	S	*	*			trans	-93.3	107.4	158.5	3.6	16.3	0	0	0	109.9
7	N	28.7	Very low	36.6	Very low	150 Å²	150	139.9 Å²	139.9	80%	0.802	81%	0.805	S	S	*	*			trans	34.7	112	144.2	-114.1	1.6	0	0	0	119.8	G9	N7-G9 PolarHBondContact O-N 3.03Å
8	S	37.2	Very low	38.6	Very low	115 Å²	115	141.4 Å²	141.4	80%	0.804	81%	0.809	S	S	*	*			trans	-50.7	101.9	150.1	46.3	0	0	0	0	110.7
9	G	29.2	Very low	41	Very low	75 Å²	75	139.9 Å²	139.9	77%	0.773	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-70.2	126.4	167.3	0	0	0	0	0	110	N7	N7-G9 PolarHBondContact O-N 3.03Å
10	A	32.3	Very low	43.6	Very low	96 Å²	96	134.6 Å²	134.6	79%	0.793	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-47.6	136.5	-175.5	0	0	0	0	0	113.5	A12	A10-A12 PolarHBondContact O-N 3.35Å
11	Q	32.9	Very low	46.1	Very low	161 Å²	161	130.2 Å²	130.2	75%	0.752	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-49.4	120.6	160.9	-74.9	173	-24.1	0	0	108.7	H13	Q11-H13 PolarHBondContact O-N 3.46Å
12	A	33.6	Very low	49	Very low	104 Å²	104	118.7 Å²	118.7	86%	0.86	68%	0.684	S	S	*	*			trans	-66.5	87.9	168.6	0	0	0	0	0	108.2	A10 G14	A10-A12 PolarHBondContact O-N 3.35Å; A12-G14 PolarHBondContact O-N 3.14Å
13	H	35.8	Very low	52	Low	165 Å²	165	112.1 Å²	112.1	76%	0.764	65%	0.648	S	S	*	*			trans	-67	120	166.4	-83.2	-71.9	0	0	0	109.2	Q11	Q11-H13 PolarHBondContact O-N 3.46Å
14	G	41.9	Very low	54.9	Low	72 Å²	72	107.8 Å²	107.8	74%	0.742	63%	0.628	S	S	*	*			trans	81.8	56	144.5	0	0	0	0	0	117.4	A12	A12-G14 PolarHBondContact O-N 3.14Å
15	L	36.7	Very low	58	Low	171 Å²	171	101.6 Å²	101.6	90%	0.895	60%	0.6	S	S	*	*			trans	-83.7	110.2	145	-79.2	164.4	0	0	0	106.8	P17	L15-P17 WeakPolarHBondContact O-CD 3.26Å
16	V	45.6	Very low	60.9	Low	128 Å²	128	91 Å²	91	78%	0.776	56%	0.56	S	S	*	*			trans	-54.8	122.5	163.9	-178.6	0	0	0	0	105.8	L18	V16-L18 PolarHBondContact O-N 3.11Å
17	P	54.5	Low	63.8	Low	72 Å²	72	86.9 Å²	86.9	47%	0.468	53%	0.529	S	S	.	.			trans	-56.6	128.6	177.6	21.9	-29.9	0	0	0	108.1	L15 F19	L15-P17 WeakPolarHBondContact O-CD 3.26Å; P17-F19 PolarHBondContact O-N 2.9Å
18	L	73.6	Confident	67.1	Low	167 Å²	167	81.2 Å²	81.2	87%	0.874	51%	0.505	S	S	*	.	S	Bend	trans	-56.8	-18	-179.6	-86.9	142.4	0	0	0	112.7	V16	V16-L18 PolarHBondContact O-N 3.11Å
19	F	83.4	Confident	70	Confident	113 Å²	113	76.6 Å²	76.6	50%	0.496	47%	0.471	S	S	.	.	S	Bend	trans	-126.5	141.5	177.7	-61.8	-79.9	0	0	0	110.5	P17 L23 Q24	P17-F19 PolarHBondContact O-N 2.9Å; F19-L23 HydrophobicContact CD1-CD2 4.2Å; F19-Q24 HydrophobicContact CB-CB 4.4Å
20	P	94.3	Very high	73.3	Confident	33 Å²	33	73 Å²	73	21%	0.214	44%	0.435	C	S	.	.			trans	-52.2	140.5	170.4	-24.4	31.9	0	0	0	111.9	G22 L23 Q24 L87 Y88	P20-G22 PolarHBondContact O-N 2.79Å; P20-L23 HydrophobicContact CB-CB 4.06Å; P20-L23 HydrophobicContact CG-CB 4.38Å; P20-L23 HydrophobicContact CG-CD2 4.38Å; P20-L23 WeakPolarHBondContact O-CB 3.33Å; P20-L23 PolarHBondContact O-N 3.07Å; P20-Q24 WeakPolarHBondContact O-CB 3.29Å; P20-Q24 PolarHBondContact O-N 3.13Å; P20-L87 WeakPolarHBondContact CB-O 3.4Å; P20-Y88 HydrophobicContact CB-CD1 3.75Å; P20-Y88 HydrophobicContact CB-CE1 4.1Å; P20-Y88 HydrophobicContact CG-CD1 3.51Å; P20-Y88 HydrophobicContact CG-CE1 3.42Å; P20-Y88 VanDerWaalsContact CG-CE1 3.42Å
21	P	95.6	Very high	76.4	Confident	43 Å²	43	74.9 Å²	74.9	28%	0.279	42%	0.421	S	S	.	.	H	α-helix	trans	-60.3	-38.9	-173.4	-26.4	34.4	0	0	0	115.2	Q24 A25 P180 F181	P21-Q24 PolarHBondContact O-N 2.61Å; P21-A25 PolarHBondContact O-N 3.03Å; P21-P180 HydrophobicContact CB-CG 3.88Å; P21-F181 HydrophobicContact CB-CE2 3.86Å; P21-F181 HydrophobicContact CB-CZ 3.8Å; P21-F181 HydrophobicContact CG-CE2 4.18Å; P21-F181 HydrophobicContact CG-CZ 3.74Å
22	G	97.3	Very high	79.5	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	41%	0.406	C	S	.	.	H	α-helix	trans	-64.9	-47.4	176.6	0	0	0	0	0	111.2	P20 Q24 A25 I26 L87	P20-G22 PolarHBondContact O-N 2.79Å; G22-Q24 VanDerWaalsContact C-N 3.32Å; G22-Q24 PolarHBondContact O-N 3.05Å; G22-A25 PolarHBondContact O-N 3.45Å; G22-I26 PolarHBondContact O-N 3.38Å; G22-L87 PolarHBondContact N-O 3.05Å
23	L	97.2	Very high	82.5	Confident	5 Å²	5	69.5 Å²	69.5	3%	0.026	37%	0.374	C	S	.	.	H	α-helix	trans	-57.1	-43.7	173.5	-171.3	76.9	0	0	0	112.1	F19 P20 A25 I26 Y27 Y59 F82 L87	F19-L23 HydrophobicContact CD1-CD2 4.2Å; P20-L23 HydrophobicContact CB-CB 4.06Å; P20-L23 HydrophobicContact CG-CB 4.38Å; P20-L23 HydrophobicContact CG-CD2 4.38Å; P20-L23 WeakPolarHBondContact O-CB 3.33Å; P20-L23 PolarHBondContact O-N 3.07Å; L23-A25 VanDerWaalsContact C-N 3.33Å; L23-A25 PolarHBondContact O-N 3.15Å; L23-I26 PolarHBondContact O-N 2.89Å; L23-Y27 HydrophobicContact CD1-CD2 4.5Å; L23-Y27 HydrophobicContact CD1-CE2 3.95Å; L23-Y27 HydrophobicContact CD2-CD2 4.35Å; L23-Y27 HydrophobicContact CD2-CE2 3.72Å; L23-Y27 HydrophobicContact CG-CD2 3.87Å; L23-Y27 HydrophobicContact CG-CE2 3.56Å; L23-Y27 WeakPolarHBondContact O-CD2 3.3Å; L23-Y27 PolarHBondContact O-N 3.47Å; L23-Y59 HydrophobicContact CD1-CD2 3.73Å; L23-Y59 HydrophobicContact CD1-CE2 3.97Å; L23-Y59 HydrophobicContact CD2-CE2 4.29Å; L23-F82 HydrophobicContact CD1-CB 4.11Å; L23-F82 HydrophobicContact CD1-CD1 3.51Å; L23-F82 HydrophobicContact CD1-CE1 4.15Å; L23-F82 HydrophobicContact CD1-CG 4.03Å; L23-L87 HydrophobicContact CD1-CD1 4.33Å
24	Q	96.9	Very high	85.5	Confident	92 Å²	92	62.1 Å²	62.1	43%	0.43	34%	0.339	S	S	.	.	H	α-helix	trans	-63	-38.7	179.1	-179.4	177.9	-17.4	0	0	112.2	F19 P20 P21 G22 G28	F19-Q24 HydrophobicContact CB-CB 4.4Å; P20-Q24 WeakPolarHBondContact O-CB 3.29Å; P20-Q24 PolarHBondContact O-N 3.13Å; P21-Q24 PolarHBondContact O-N 2.61Å; G22-Q24 VanDerWaalsContact C-N 3.32Å; G22-Q24 PolarHBondContact O-N 3.05Å; Q24-G28 PolarHBondContact O-N 3.12Å
25	A	97.8	Very high	88.2	Confident	25 Å²	25	63.6 Å²	63.6	21%	0.207	34%	0.336	C	S	.	.	H	α-helix	trans	-65	-47.6	179.1	0	0	0	0	0	111.3	P21 G22 L23 Y27 G28 E29 I177 T179	P21-A25 PolarHBondContact O-N 3.03Å; G22-A25 PolarHBondContact O-N 3.45Å; L23-A25 VanDerWaalsContact C-N 3.33Å; L23-A25 PolarHBondContact O-N 3.15Å; A25-Y27 PolarHBondContact O-N 3.11Å; A25-G28 WeakPolarHBondContact O-CA 3Å; A25-G28 PolarHBondContact O-N 3.26Å; A25-E29 PolarHBondContact O-N 2.9Å; A25-E29 VanDerWaalsContact O-N 3.16Å; A25-I177 HydrophobicContact CB-CD1 3.9Å; A25-T179 HydrophobicContact CB-CG2 3.79Å
26	I	98.4	Very high	91	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-63.8	-42.8	177.6	-57.5	160.5	0	0	0	110.9	G22 L23 G28 E29 C30 V80 F82 S85 L87 E108 I177 F186	G22-I26 PolarHBondContact O-N 3.38Å; L23-I26 PolarHBondContact O-N 2.89Å; I26-G28 PolarHBondContact O-N 3.26Å; I26-E29 PolarHBondContact O-N 2.74Å; I26-C30 PolarHBondContact O-N 2.95Å; I26-C30 PolarHBondContact O-SG 2.96Å; I26-V80 HydrophobicContact CG2-CG1 4.22Å; I26-F82 HydrophobicContact CB-CD1 3.9Å; I26-F82 HydrophobicContact CB-CE1 3.56Å; I26-F82 HydrophobicContact CD1-CD1 3.91Å; I26-F82 HydrophobicContact CD1-CE1 4.46Å; I26-F82 HydrophobicContact CG2-CD1 3.7Å; I26-F82 HydrophobicContact CG2-CE1 3.19Å; I26-F82 HydrophobicContact CG2-CZ 3.73Å; I26-S85 WeakPolarHBondContact CD1-OG 3.47Å; I26-L87 HydrophobicContact CD1-CD2 3.74Å; I26-E108 HydrophobicContact CD1-CG 3.96Å; I26-I177 HydrophobicContact CB-CD1 4.3Å; I26-I177 HydrophobicContact CG1-CD1 3.78Å; I26-F186 HydrophobicContact CG2-CE1 3.92Å; I26-F186 HydrophobicContact CG2-CZ 4.1Å
27	Y	97.6	Very high	93.4	Very high	38 Å²	38	57.4 Å²	57.4	15%	0.149	30%	0.298	C	S	.	.	H	α-helix	trans	-63.1	-28.6	172.7	-79.8	-40.1	0	0	0	113.4	L23 A25 R31 Q42 F82	L23-Y27 HydrophobicContact CD1-CD2 4.5Å; L23-Y27 HydrophobicContact CD1-CE2 3.95Å; L23-Y27 HydrophobicContact CD2-CD2 4.35Å; L23-Y27 HydrophobicContact CD2-CE2 3.72Å; L23-Y27 HydrophobicContact CG-CD2 3.87Å; L23-Y27 HydrophobicContact CG-CE2 3.56Å; L23-Y27 WeakPolarHBondContact O-CD2 3.3Å; L23-Y27 PolarHBondContact O-N 3.47Å; A25-Y27 PolarHBondContact O-N 3.11Å; Y27-R31 WeakPolarHBondContact O-CB 3.43Å; Y27-R31 WeakPolarHBondContact O-CG 3.33Å; Y27-R31 PolarHBondContact O-N 2.81Å; Y27-R31 PolarHBondContact O-NE 2.84Å; Y27-Q42 PolarHBondContact OH-NE2 3.1Å; Y27-Q42 PolarHBondContact OH-OE1 2.75Å; Y27-F82 AromaticContact CD1-CE1 3.8Å; Y27-F82 HydrophobicContact CD1-CE1 3.8Å; Y27-F82 AromaticContact CD1-CZ 3.72Å; Y27-F82 HydrophobicContact CD1-CZ 3.72Å; Y27-F82 AromaticContact CE1-CE1 3.81Å; Y27-F82 HydrophobicContact CE1-CE1 3.81Å; Y27-F82 HydrophobicContact CE1-CE2 4.32Å; Y27-F82 AromaticContact CE1-CZ 3.58Å; Y27-F82 HydrophobicContact CE1-CZ 3.58Å; Y27-F82 HydrophobicContact CG-CE1 4.27Å
28	G	97.4	Very high	95.2	Very high	30 Å²	30	57.6 Å²	57.6	31%	0.309	31%	0.306	S	S	.	.	H	α-helix	trans	-62.3	-46.7	173.3	0	0	0	0	0	111.1	Q24 A25 I26 R31 R32	Q24-G28 PolarHBondContact O-N 3.12Å; A25-G28 WeakPolarHBondContact O-CA 3Å; A25-G28 PolarHBondContact O-N 3.26Å; I26-G28 PolarHBondContact O-N 3.26Å; G28-R31 PolarHBondContact O-N 3.47Å; G28-R32 PolarHBondContact O-N 2.8Å
29	E	98.3	Very high	96.1	Very high	18 Å²	18	57 Å²	57	8%	0.084	30%	0.303	C	S	.	.	H	α-helix	trans	-67	-39.4	177.4	-175	61.2	-177.8	0	0	112.1	A25 I26 R31 R32 L33 M174 H175 I177 F186	A25-E29 PolarHBondContact O-N 2.9Å; A25-E29 VanDerWaalsContact O-N 3.16Å; I26-E29 PolarHBondContact O-N 2.74Å; E29-R31 PolarHBondContact O-N 2.78Å; E29-R32 WeakPolarHBondContact O-CB 3.47Å; E29-R32 PolarHBondContact O-N 2.67Å; E29-R32 IonicContact OE1-CZ 3.92Å; E29-R32 IonicContact OE1-NE 2.79Å; E29-R32 PolarHBondContact OE1-NE 3.39Å; E29-R32 IonicContact OE1-NH2 2.69Å; E29-R32 PolarHBondContact OE1-NH2 2.84Å; E29-R32 IonicContact OE2-CZ 3.72Å; E29-R32 IonicContact OE2-NE 3.97Å; E29-R32 PolarHBondContact OE2-NE 2.83Å; E29-R32 IonicContact OE2-NH2 3.68Å; E29-L33 PolarHBondContact O-N 2.88Å; E29-M174 HydrophobicContact CB-CE 4Å; E29-M174 HydrophobicContact CG-CB 4.33Å; E29-M174 HydrophobicContact CG-CE 3.53Å; E29-M174 HydrophobicContact CG-CG 4.47Å; E29-M174 WeakPolarHBondContact OE1-CA 3.45Å; E29-H175 IonicContact OE1-CG 2.83Å; E29-H175 PolarHBondContact OE1-N 2.97Å; E29-H175 IonicContact OE1-ND1 2.68Å; E29-H175 PolarHBondContact OE1-ND1 3.34Å; E29-I177 HydrophobicContact CB-CG2 4.01Å; E29-I177 HydrophobicContact CG-CG2 4.23Å; E29-F186 HydrophobicContact CG-CE2 4.25Å
30	C	98.3	Very high	96.7	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.007	29%	0.288	C	S	.	.	H	α-helix	trans	-60.9	-43.5	172.6	-63.2	0	0	0	0	112.2	I26 R32 L33 Y34 Y63	I26-C30 PolarHBondContact O-N 2.95Å; I26-C30 PolarHBondContact O-SG 2.96Å; C30-R32 VanDerWaalsContact C-N 3.31Å; C30-R32 PolarHBondContact O-N 2.84Å; C30-L33 PolarHBondContact O-N 2.8Å; C30-Y34 PolarHBondContact O-N 2.79Å; C30-Y63 HydrophobicContact CB-CE2 4.06Å; C30-Y63 WeakPolarHBondContact CB-OH 3.26Å
31	R	97.6	Very high	96.8	Very high	134 Å²	134	55.4 Å²	55.4	51%	0.506	30%	0.299	S	S	.	.	H	α-helix	trans	-66.4	-30.8	177.8	-82.7	177	-86.6	151.2	-8.8	113.1	Y27 G28 E29 L33 P35	Y27-R31 WeakPolarHBondContact O-CB 3.43Å; Y27-R31 WeakPolarHBondContact O-CG 3.33Å; Y27-R31 PolarHBondContact O-N 2.81Å; Y27-R31 PolarHBondContact O-NE 2.84Å; G28-R31 PolarHBondContact O-N 3.47Å; E29-R31 PolarHBondContact O-N 2.78Å; R31-L33 VanDerWaalsContact C-N 3.31Å; R31-P35 WeakPolarHBondContact O-CA 3.39Å
32	R	97.9	Very high	96.8	Very high	119 Å²	119	56.5 Å²	56.5	45%	0.449	30%	0.3	S	S	.	.	H	α-helix	trans	-62.9	-40.5	172.8	-172	-168.7	63.6	71.9	2.5	111	G28 E29 C30 Q173 H175	G28-R32 PolarHBondContact O-N 2.8Å; E29-R32 WeakPolarHBondContact O-CB 3.47Å; E29-R32 PolarHBondContact O-N 2.67Å; E29-R32 IonicContact OE1-CZ 3.92Å; E29-R32 IonicContact OE1-NE 2.79Å; E29-R32 PolarHBondContact OE1-NE 3.39Å; E29-R32 IonicContact OE1-NH2 2.69Å; E29-R32 PolarHBondContact OE1-NH2 2.84Å; E29-R32 IonicContact OE2-CZ 3.72Å; E29-R32 IonicContact OE2-NE 3.97Å; E29-R32 PolarHBondContact OE2-NE 2.83Å; E29-R32 IonicContact OE2-NH2 3.68Å; C30-R32 VanDerWaalsContact C-N 3.31Å; C30-R32 PolarHBondContact O-N 2.84Å; R32-Q173 PolarHBondContact NH2-O 2.98Å; R32-H175 PolarHBondContact NH2-CE1 3.24Å; R32-H175 PolarHBondContact NH2-ND1 3.28Å
33	L	97.7	Very high	96.8	Very high	33 Å²	33	58.7 Å²	58.7	17%	0.173	31%	0.314	C	S	.	.	H	α-helix	trans	-80.9	-37.8	179.7	-71.7	-179.2	0	0	0	113.8	E29 C30 R31 P35 Q173 M174	E29-L33 PolarHBondContact O-N 2.88Å; C30-L33 PolarHBondContact O-N 2.8Å; R31-L33 VanDerWaalsContact C-N 3.31Å; L33-P35 VanDerWaalsContact C-CD 3.4Å; L33-P35 WeakPolarHBondContact O-CD 3.43Å; L33-Q173 HydrophobicContact CD1-CB 3.82Å; L33-Q173 HydrophobicContact CD2-CB 3.93Å; L33-M174 HydrophobicContact CD1-CG 3.51Å
34	Y	98.1	Very high	96.8	Very high	10 Å²	10	61.5 Å²	61.5	4%	0.039	33%	0.331	C	S	.	.			trans	-125.3	62.9	-174	-54	-75	0	0	0	111.7	C30 D36 Q37 Y63 N65 H78	C30-Y34 PolarHBondContact O-N 2.79Å; Y34-D36 PolarHBondContact O-N 3.49Å; Y34-Q37 PolarHBondContact O-N 2.8Å; Y34-Q37 VanDerWaalsContact O-N 3.13Å; Y34-Y63 HydrophobicContact CD1-CD1 4.22Å; Y34-Y63 HydrophobicContact CD1-CG 4.37Å; Y34-Y63 AromaticContact CD2-CD1 3.43Å; Y34-Y63 HydrophobicContact CD2-CD1 3.43Å; Y34-Y63 VanDerWaalsContact CD2-CD1 3.43Å; Y34-Y63 AromaticContact CD2-CD2 3.95Å; Y34-Y63 HydrophobicContact CD2-CD2 3.95Å; Y34-Y63 AromaticContact CD2-CE1 3.89Å; Y34-Y63 HydrophobicContact CD2-CE1 3.89Å; Y34-Y63 HydrophobicContact CD2-CE2 4.35Å; Y34-Y63 AromaticContact CD2-CG 3.46Å; Y34-Y63 HydrophobicContact CD2-CG 3.46Å; Y34-Y63 VanDerWaalsContact CD2-CG 3.46Å; Y34-Y63 HydrophobicContact CE2-CD1 4.16Å; Y34-Y63 AromaticContact CE2-CD2 3.99Å; Y34-Y63 HydrophobicContact CE2-CD2 3.99Å; Y34-Y63 AromaticContact CE2-CG 3.69Å; Y34-Y63 HydrophobicContact CE2-CG 3.69Å; Y34-Y63 AromaticContact CG-CD1 3.47Å; Y34-Y63 HydrophobicContact CG-CD1 3.47Å; Y34-Y63 VanDerWaalsContact CG-CD1 3.47Å; Y34-Y63 HydrophobicContact CG-CE1 4.1Å; Y34-Y63 AromaticContact CG-CG 3.83Å; Y34-Y63 HydrophobicContact CG-CG 3.83Å; Y34-N65 HydrophobicContact CE1-CB 3.96Å; Y34-N65 PolarHBondContact OH-ND2 3.28Å; Y34-H78 AromaticContact CE2-ND1 3.53Å; Y34-H78 AromaticContact CZ-ND1 3.64Å; Y34-H78 VanDerWaalsContact OH-CB 3.24Å; Y34-H78 WeakPolarHBondContact OH-CB 3.5Å; Y34-H78 VanDerWaalsContact OH-CG 3.28Å; Y34-H78 PolarHBondContact OH-ND1 2.98Å
35	P	97.4	Very high	96.7	Very high	103 Å²	103	57.3 Å²	57.3	67%	0.669	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-21.8	-176.3	27.9	-36.1	0	0	0	113.3	R31 L33	R31-P35 WeakPolarHBondContact O-CA 3.39Å; L33-P35 VanDerWaalsContact C-CD 3.4Å; L33-P35 WeakPolarHBondContact O-CD 3.43Å
36	D	96.4	Very high	96.6	Very high	128 Å²	128	63.8 Å²	63.8	68%	0.684	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-13.7	178.5	63.1	-43.5	0	0	0	113.4	Y34	Y34-D36 PolarHBondContact O-N 3.49Å
37	Q	97.1	Very high	96.5	Very high	42 Å²	42	67.7 Å²	67.7	20%	0.196	37%	0.366	C	S	.	.			trans	-116.5	63.4	-175.3	-64.1	168.8	66.8	0	0	111.2	Y34 N39 Y63 R64	Y34-Q37 PolarHBondContact O-N 2.8Å; Y34-Q37 VanDerWaalsContact O-N 3.13Å; Q37-N39 PolarHBondContact O-N 2.91Å; Q37-Y63 HydrophobicContact CB-CD1 4.14Å; Q37-Y63 HydrophobicContact CB-CE1 4.45Å; Q37-R64 PolarHBondContact NE2-O 3.42Å; Q37-R64 PolarHBondContact OE1-O 3.08Å
38	A	91.3	Very high	96.5	Very high	76 Å²	76	67.2 Å²	67.2	63%	0.628	36%	0.364	S	S	*	.	S	Bend	trans	-62.2	-23.9	-176.6	0	0	0	0	0	114.6
39	N	92.8	Very high	96.6	Very high	153 Å²	153	69.5 Å²	69.5	82%	0.818	36%	0.364	S	S	*	.	S	Bend	trans	-130.6	75.9	179.5	-58.4	-68.3	0	0	0	109.4	Q37	Q37-N39 PolarHBondContact O-N 2.91Å
40	P	95.3	Very high	96.5	Very high	28 Å²	28	72.2 Å²	72.2	18%	0.182	37%	0.374	C	S	.	.			trans	-64.1	160.4	176.1	32.5	-39	0	0	0	110.7	Q42 M62 Y63	P40-Q42 PolarHBondContact O-N 3.02Å; P40-M62 WeakPolarHBondContact CB-O 3.5Å; P40-Y63 HydrophobicContact CB-CD1 3.87Å; P40-Y63 HydrophobicContact CB-CE1 3.65Å; P40-Y63 HydrophobicContact CB-CE2 4.43Å; P40-Y63 HydrophobicContact CB-CG 4.35Å; P40-Y63 HydrophobicContact CG-CD1 4.4Å; P40-Y63 HydrophobicContact CG-CE1 3.68Å; P40-Y63 HydrophobicContact CG-CE2 4.32Å
41	L	96.2	Very high	96.5	Very high	85 Å²	85	78.1 Å²	78.1	45%	0.445	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	136.6	165.7	-177.7	64.1	0	0	0	108.2	M62 P122	L41-M62 HydrophobicContact CB-CB 4.42Å; L41-M62 HydrophobicContact CD2-SD 4.05Å; L41-M62 HydrophobicContact CG-SD 4.3Å; L41-M62 WeakPolarHBondContact O-CB 3.39Å; L41-M62 PolarHBondContact O-N 3.05Å; L41-P122 HydrophobicContact CB-CG 4.28Å; L41-P122 HydrophobicContact CD2-CG 3.99Å
42	Q	96.6	Very high	96.5	Very high	66 Å²	66	75.1 Å²	75.1	31%	0.308	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	130.1	-177.5	-175.3	171.9	91.9	0	0	110.4	Y27 P40 Y59 I60 S61	Y27-Q42 PolarHBondContact OH-NE2 3.1Å; Y27-Q42 PolarHBondContact OH-OE1 2.75Å; P40-Q42 PolarHBondContact O-N 3.02Å; Q42-Y59 HydrophobicContact CG-CD1 4.46Å; Q42-I60 WeakPolarHBondContact CA-O 3.26Å; Q42-S61 PolarHBondContact NE2-OG 3.3Å
43	V	96.7	Very high	96.5	Very high	47 Å²	47	69.7 Å²	69.7	29%	0.285	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	137.9	165.8	169.9	0	0	0	0	107.9	Y59 I60 M62 T124 A127	V43-Y59 CarbonylContact O-C 3.56Å; V43-Y59 WeakPolarHBondContact O-CA 3.41Å; V43-I60 PolarHBondContact N-O 3.07Å; V43-I60 PolarHBondContact O-N 2.93Å; V43-M62 HydrophobicContact CB-CE 4.14Å; V43-M62 HydrophobicContact CG2-CE 3.39Å; V43-T124 HydrophobicContact CG2-CG2 4.34Å; V43-A127 HydrophobicContact CB-CB 4.23Å; V43-A127 HydrophobicContact CG1-CB 4.18Å; V43-A127 HydrophobicContact CG2-CB 4.18Å
44	T	96.8	Very high	96.4	Very high	63 Å²	63	72.4 Å²	72.4	39%	0.387	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	136.2	175.9	-170.2	0	0	0	0	111.1	I46 K48 D58 Y59	T44-I46 PolarHBondContact O-N 2.95Å; T44-K48 PolarHBondContact OG1-NZ 2.79Å; T44-D58 VanDerWaalsContact CA-O 3.29Å; T44-D58 WeakPolarHBondContact CA-O 3.24Å; T44-D58 PolarHBondContact OG1-O 3.3Å; T44-Y59 WeakPolarHBondContact OG1-CD1 3.43Å; T44-Y59 VanDerWaalsContact OG1-CE1 3.31Å; T44-Y59 WeakPolarHBondContact OG1-CE1 3.31Å
45	A	95.6	Very high	96.4	Very high	5 Å²	5	73.9 Å²	73.9	4%	0.041	43%	0.425	C	S	.	.			trans	-67.1	112.9	169.5	0	0	0	0	0	108.9	K48 D55 D58	A45-K48 WeakPolarHBondContact O-CE 3.22Å; A45-K48 PolarHBondContact O-NZ 2.96Å; A45-D55 HydrophobicContact CB-CB 3.88Å; A45-D58 PolarHBondContact N-O 3.34Å; A45-D58 VanDerWaalsContact N-O 3.15Å
46	I	95.9	Very high	96.5	Very high	161 Å²	161	69.2 Å²	69.2	83%	0.826	39%	0.394	S	S	*	.	S	Bend	trans	-67.9	-47.1	-178.7	-62.5	174.9	0	0	0	110.1	T44	T44-I46 PolarHBondContact O-N 2.95Å
47	V	96.8	Very high	96.6	Very high	82 Å²	82	63.1 Å²	63.1	50%	0.497	36%	0.361	S	S	.	.	S	Bend	trans	-90.4	107.4	171.7	-173.4	0	0	0	0	107.4
48	K	97.6	Very high	96.6	Very high	27 Å²	27	61.3 Å²	61.3	12%	0.117	35%	0.353	C	S	.	.			trans	-66.8	149	-176.5	-61.8	-64.5	179.7	-153	0	112	T44 A45 W50 L51 G53 D58	T44-K48 PolarHBondContact OG1-NZ 2.79Å; A45-K48 WeakPolarHBondContact O-CE 3.22Å; A45-K48 PolarHBondContact O-NZ 2.96Å; K48-W50 HydrophobicContact CB-CD2 3.82Å; K48-W50 HydrophobicContact CB-CE3 3.94Å; K48-W50 HydrophobicContact CB-CH2 3.68Å; K48-W50 HydrophobicContact CB-CZ2 3.56Å; K48-W50 HydrophobicContact CB-CZ3 3.87Å; K48-W50 HydrophobicContact CD-CH2 3.58Å; K48-W50 HydrophobicContact CD-CZ2 4.09Å; K48-W50 HydrophobicContact CD-CZ3 4.07Å; K48-W50 HydrophobicContact CG-CH2 3.54Å; K48-W50 HydrophobicContact CG-CZ2 3.5Å; K48-W50 VanDerWaalsContact CG-CZ2 3.5Å; K48-W50 HydrophobicContact CG-CZ3 4.17Å; K48-W50 PolarHBondContact O-N 2.75Å; K48-L51 HydrophobicContact CB-CD1 4.31Å; K48-L51 HydrophobicContact CB-CG 4.37Å; K48-L51 CarbonylContact O-C 3.56Å; K48-L51 WeakPolarHBondContact O-CA 3.45Å; K48-L51 WeakPolarHBondContact O-CB 3.48Å; K48-L51 PolarHBondContact O-N 3.44Å; K48-G53 PolarHBondContact O-N 3.23Å; K48-G53 VanDerWaalsContact O-N 3.08Å; K48-D58 VanDerWaalsContact CD-OD1 3.3Å; K48-D58 WeakPolarHBondContact CD-OD1 3.48Å; K48-D58 PolarHBondContact NZ-O 3.45Å
49	Y	97.9	Very high	97	Very high	78 Å²	78	60 Å²	60	31%	0.306	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-58.8	-44.6	-176.2	-169.8	-110.7	0	0	0	112.7	L51 G52 G53 P56 V93 F138	Y49-L51 PolarHBondContact O-N 3.09Å; Y49-G52 PolarHBondContact O-N 2.81Å; Y49-G53 VanDerWaalsContact CD2-O 3.26Å; Y49-G53 WeakPolarHBondContact CD2-O 3.35Å; Y49-P56 HydrophobicContact CD2-CB 4.14Å; Y49-P56 HydrophobicContact CD2-CG 4.03Å; Y49-P56 HydrophobicContact CE2-CB 4.34Å; Y49-P56 HydrophobicContact CE2-CG 3.92Å; Y49-P56 HydrophobicContact CG-CB 4.3Å; Y49-V93 HydrophobicContact CD1-CG1 4.25Å; Y49-V93 HydrophobicContact CD1-CG2 4.37Å; Y49-F138 HydrophobicContact CD1-CE1 4.36Å; Y49-F138 AromaticContact CE1-CD1 3.79Å; Y49-F138 HydrophobicContact CE1-CD1 3.79Å; Y49-F138 AromaticContact CE1-CE1 3.96Å; Y49-F138 HydrophobicContact CE1-CE1 3.96Å; Y49-F138 HydrophobicContact CE1-CG 4.49Å
50	W	97.8	Very high	97.3	Very high	76 Å²	76	52.8 Å²	52.8	29%	0.288	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-66.3	-7.4	175.5	65.7	86.8	0	0	0	114.4	K48 D58 Y88 R92 V93	K48-W50 HydrophobicContact CB-CD2 3.82Å; K48-W50 HydrophobicContact CB-CE3 3.94Å; K48-W50 HydrophobicContact CB-CH2 3.68Å; K48-W50 HydrophobicContact CB-CZ2 3.56Å; K48-W50 HydrophobicContact CB-CZ3 3.87Å; K48-W50 HydrophobicContact CD-CH2 3.58Å; K48-W50 HydrophobicContact CD-CZ2 4.09Å; K48-W50 HydrophobicContact CD-CZ3 4.07Å; K48-W50 HydrophobicContact CG-CH2 3.54Å; K48-W50 HydrophobicContact CG-CZ2 3.5Å; K48-W50 VanDerWaalsContact CG-CZ2 3.5Å; K48-W50 HydrophobicContact CG-CZ3 4.17Å; K48-W50 PolarHBondContact O-N 2.75Å; W50-D58 VanDerWaalsContact CZ3-OD1 3.27Å; W50-D58 WeakPolarHBondContact CZ3-OD1 3.44Å; W50-D58 VanDerWaalsContact CZ3-OD2 3.26Å; W50-D58 WeakPolarHBondContact CZ3-OD2 3.33Å; W50-Y88 HydrophobicContact CE3-CE2 4.38Å; W50-Y88 AromaticContact CH2-CE2 3.74Å; W50-Y88 HydrophobicContact CH2-CE2 3.74Å; W50-Y88 AromaticContact CH2-CZ 3.61Å; W50-Y88 VanDerWaalsContact CH2-OH 3.27Å; W50-Y88 WeakPolarHBondContact CH2-OH 3.13Å; W50-Y88 HydrophobicContact CZ3-CD2 4.46Å; W50-Y88 AromaticContact CZ3-CE2 3.52Å; W50-Y88 HydrophobicContact CZ3-CE2 3.52Å; W50-Y88 AromaticContact CZ3-CZ 3.91Å; W50-R92 HydrophobicContact CB-CB 4.35Å; W50-R92 VanDerWaalsContact CB-O 3.22Å; W50-R92 WeakPolarHBondContact CB-O 3.49Å; W50-R92 HydrophobicContact CD2-CG 4.33Å; W50-R92 HydrophobicContact CE3-CG 4.38Å; W50-R92 HydrophobicContact CG-CB 4.36Å; W50-R92 HydrophobicContact CG-CG 4.43Å; W50-V93 HydrophobicContact CB-CG2 3.84Å; W50-V93 HydrophobicContact CD2-CG2 4.44Å; W50-V93 HydrophobicContact CE3-CG2 3.73Å
51	L	97.8	Very high	97.4	Very high	125 Å²	125	51.4 Å²	51.4	65%	0.654	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-103.9	14.5	172.1	-59	178	0	0	0	112.2	K48 Y49	K48-L51 HydrophobicContact CB-CD1 4.31Å; K48-L51 HydrophobicContact CB-CG 4.37Å; K48-L51 CarbonylContact O-C 3.56Å; K48-L51 WeakPolarHBondContact O-CA 3.45Å; K48-L51 WeakPolarHBondContact O-CB 3.48Å; K48-L51 PolarHBondContact O-N 3.44Å; Y49-L51 PolarHBondContact O-N 3.09Å
52	G	96.9	Very high	97.6	Very high	70 Å²	70	47.6 Å²	47.6	72%	0.722	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.4	15.9	-179.2	0	0	0	0	0	114.5	Y49	Y49-G52 PolarHBondContact O-N 2.81Å
53	G	97.9	Very high	97.7	Very high	6 Å²	6	44.7 Å²	44.7	6%	0.062	25%	0.251	C	S	.	.			trans	-66.7	153.9	171.1	0	0	0	0	0	112.3	K48 Y49 D55	K48-G53 PolarHBondContact O-N 3.23Å; K48-G53 VanDerWaalsContact O-N 3.08Å; Y49-G53 VanDerWaalsContact CD2-O 3.26Å; Y49-G53 WeakPolarHBondContact CD2-O 3.35Å; G53-D55 VanDerWaalsContact C-N 3.31Å
54	P	96.4	Very high	97.8	Very high	89 Å²	89	47.3 Å²	47.3	58%	0.578	26%	0.256	S	S	*	.	S	Bend	trans	-78.9	-15.1	-178.4	32.9	-35.9	0	0	0	113.8	P56 R135	P54-P56 WeakPolarHBondContact O-CD 3.41Å; P54-R135 WeakPolarHBondContact O-CD 3.41Å
55	D	98.3	Very high	97.8	Very high	42 Å²	42	44.8 Å²	44.8	23%	0.225	24%	0.24	C	C	.	.			trans	-106.4	108.6	-166.3	-68.9	-33.2	0	0	0	110.9	A45 G53 Q131	A45-D55 HydrophobicContact CB-CB 3.88Å; G53-D55 VanDerWaalsContact C-N 3.31Å; D55-Q131 HydrophobicContact CB-CG 4.45Å
56	P	98.1	Very high	97.9	Very high	4 Å²	4	49.9 Å²	49.9	3%	0.026	27%	0.271	C	S	.	.			trans	-73.4	-24.6	-176.5	-17.1	31.5	0	0	0	114.3	Y49 P54 A134 R135 F138	Y49-P56 HydrophobicContact CD2-CB 4.14Å; Y49-P56 HydrophobicContact CD2-CG 4.03Å; Y49-P56 HydrophobicContact CE2-CB 4.34Å; Y49-P56 HydrophobicContact CE2-CG 3.92Å; Y49-P56 HydrophobicContact CG-CB 4.3Å; P54-P56 WeakPolarHBondContact O-CD 3.41Å; P56-A134 HydrophobicContact CB-CB 4.18Å; P56-A134 HydrophobicContact CG-CB 4.24Å; P56-R135 HydrophobicContact CG-CG 3.83Å; P56-F138 HydrophobicContact CB-CD2 3.46Å; P56-F138 VanDerWaalsContact CB-CD2 3.46Å; P56-F138 HydrophobicContact CB-CE2 3.41Å; P56-F138 VanDerWaalsContact CB-CE2 3.41Å; P56-F138 HydrophobicContact CB-CG 4.13Å; P56-F138 HydrophobicContact CB-CZ 4.05Å; P56-F138 HydrophobicContact CG-CD2 3.96Å; P56-F138 HydrophobicContact CG-CE2 4.39Å; P56-F138 HydrophobicContact CG-CG 4.38Å
57	L	98.8	Very high	97.9	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.239	C	C	.	.			trans	-85.1	115.8	177.4	-50.9	174.2	0	0	0	109.4	Y59 I60 F82 L84 M130 Q131 A134	L57-Y59 VanDerWaalsContact C-N 3.34Å; L57-I60 HydrophobicContact CB-CD1 4.31Å; L57-I60 HydrophobicContact CB-CG1 4.23Å; L57-I60 HydrophobicContact CD1-CD1 3.8Å; L57-I60 HydrophobicContact CD1-CG1 4.17Å; L57-F82 CarbonylContact C-O 3.55Å; L57-L84 HydrophobicContact CD2-CD1 4.13Å; L57-L84 HydrophobicContact CD2-CG 3.83Å; L57-M130 HydrophobicContact CD1-CB 3.77Å; L57-M130 WeakPolarHBondContact CD1-O 3.14Å; L57-Q131 VanDerWaalsContact CB-OE1 3.31Å; L57-Q131 PolarHBondContact O-NE2 3.45Å; L57-A134 HydrophobicContact CD1-CB 4.01Å; L57-A134 HydrophobicContact CD2-CB 3.67Å; L57-A134 HydrophobicContact CG-CB 3.61Å
58	D	98.4	Very high	97.8	Very high	5 Å²	5	40.5 Å²	40.5	3%	0.027	23%	0.225	C	C	.	.	S	Bend	trans	-68.4	-36.7	-179.5	-75.8	-30.9	0	0	0	112.8	T44 A45 K48 W50 F82 L87 Y88	T44-D58 VanDerWaalsContact CA-O 3.29Å; T44-D58 WeakPolarHBondContact CA-O 3.24Å; T44-D58 PolarHBondContact OG1-O 3.3Å; A45-D58 PolarHBondContact N-O 3.34Å; A45-D58 VanDerWaalsContact N-O 3.15Å; K48-D58 VanDerWaalsContact CD-OD1 3.3Å; K48-D58 WeakPolarHBondContact CD-OD1 3.48Å; K48-D58 PolarHBondContact NZ-O 3.45Å; W50-D58 VanDerWaalsContact CZ3-OD1 3.27Å; W50-D58 WeakPolarHBondContact CZ3-OD1 3.44Å; W50-D58 VanDerWaalsContact CZ3-OD2 3.26Å; W50-D58 WeakPolarHBondContact CZ3-OD2 3.33Å; D58-F82 PolarHBondContact N-O 2.88Å; D58-L87 HydrophobicContact CB-CD1 4.28Å; D58-Y88 VanDerWaalsContact OD2-CE2 3.25Å; D58-Y88 WeakPolarHBondContact OD2-CE2 3.48Å; D58-Y88 PolarHBondContact OD2-OH 3.46Å
59	Y	98.5	Very high	97.5	Very high	48 Å²	48	44 Å²	44	19%	0.188	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	147	-177.6	-47.4	-79.9	0	0	0	110.7	L23 Q42 V43 T44 L57 F82	L23-Y59 HydrophobicContact CD1-CD2 3.73Å; L23-Y59 HydrophobicContact CD1-CE2 3.97Å; L23-Y59 HydrophobicContact CD2-CE2 4.29Å; Q42-Y59 HydrophobicContact CG-CD1 4.46Å; V43-Y59 CarbonylContact O-C 3.56Å; V43-Y59 WeakPolarHBondContact O-CA 3.41Å; T44-Y59 WeakPolarHBondContact OG1-CD1 3.43Å; T44-Y59 VanDerWaalsContact OG1-CE1 3.31Å; T44-Y59 WeakPolarHBondContact OG1-CE1 3.31Å; L57-Y59 VanDerWaalsContact C-N 3.34Å; Y59-F82 HydrophobicContact CD2-CB 4.13Å; Y59-F82 PolarHBondContact N-O 3.5Å; Y59-F82 WeakPolarHBondContact O-CD2 3.2Å; Y59-F82 PolarHBondContact O-N 2.59Å
60	I	98.8	Very high	97.3	Very high	1 Å²	1	45 Å²	45	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	108.9	169.1	-58.6	173.7	0	0	0	107	Q42 V43 L57 V80 A127 M130 Q131	Q42-I60 WeakPolarHBondContact CA-O 3.26Å; V43-I60 PolarHBondContact N-O 3.07Å; V43-I60 PolarHBondContact O-N 2.93Å; L57-I60 HydrophobicContact CB-CD1 4.31Å; L57-I60 HydrophobicContact CB-CG1 4.23Å; L57-I60 HydrophobicContact CD1-CD1 3.8Å; L57-I60 HydrophobicContact CD1-CG1 4.17Å; I60-V80 CarbonylContact C-O 3.49Å; I60-V80 WeakPolarHBondContact CA-O 3.24Å; I60-A127 HydrophobicContact CD1-CB 3.73Å; I60-A127 WeakPolarHBondContact CD1-O 3.43Å; I60-A127 HydrophobicContact CG2-CB 4.44Å; I60-M130 HydrophobicContact CD1-CB 4.15Å; I60-M130 HydrophobicContact CG2-SD 3.95Å; I60-Q131 HydrophobicContact CD1-CG 4.34Å
61	S	98.7	Very high	97	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	139.4	-179.8	-61.2	0	0	0	0	110.5	Q42 Y79 V80 F82	Q42-S61 PolarHBondContact NE2-OG 3.3Å; S61-Y79 CarbonylContact O-C 3.38Å; S61-Y79 WeakPolarHBondContact O-CA 3.25Å; S61-V80 PolarHBondContact N-O 3.26Å; S61-V80 PolarHBondContact O-N 3.41Å; S61-F82 VanDerWaalsContact OG-CE2 3.24Å; S61-F82 WeakPolarHBondContact OG-CE2 3.45Å
62	M	98.8	Very high	96.8	Very high	4 Å²	4	44.4 Å²	44.4	2%	0.02	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	109.7	-173.9	-49.6	178.1	174.7	0	0	109.9	P40 L41 V43 Y79 P122 T124 A127	P40-M62 WeakPolarHBondContact CB-O 3.5Å; L41-M62 HydrophobicContact CB-CB 4.42Å; L41-M62 HydrophobicContact CD2-SD 4.05Å; L41-M62 HydrophobicContact CG-SD 4.3Å; L41-M62 WeakPolarHBondContact O-CB 3.39Å; L41-M62 PolarHBondContact O-N 3.05Å; V43-M62 HydrophobicContact CB-CE 4.14Å; V43-M62 HydrophobicContact CG2-CE 3.39Å; M62-Y79 HydrophobicContact CB-CD1 4.31Å; M62-Y79 HydrophobicContact CB-CE1 4.29Å; M62-Y79 HydrophobicContact CE-CD1 4.18Å; M62-Y79 HydrophobicContact CE-CE1 4.1Å; M62-Y79 HydrophobicContact CG-CD1 3.69Å; M62-Y79 HydrophobicContact CG-CE1 3.8Å; M62-Y79 HydrophobicContact SD-CD1 4.27Å; M62-Y79 HydrophobicContact SD-CE1 3.89Å; M62-P122 HydrophobicContact CB-CB 3.91Å; M62-P122 HydrophobicContact CB-CG 3.47Å; M62-P122 VanDerWaalsContact CB-CG 3.47Å; M62-P122 HydrophobicContact CG-CG 4.32Å; M62-P122 HydrophobicContact SD-CB 4.19Å; M62-P122 HydrophobicContact SD-CG 3.97Å; M62-T124 HydrophobicContact CE-CG2 4.24Å; M62-T124 HydrophobicContact SD-CG2 4.4Å; M62-A127 HydrophobicContact CE-CB 4Å
63	Y	98.8	Very high	96.8	Very high	6 Å²	6	41.5 Å²	41.5	2%	0.024	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	147.8	-177.6	-64.9	-87.2	0	0	0	111.4	C30 Y34 Q37 P40 W77 H78 V80	C30-Y63 HydrophobicContact CB-CE2 4.06Å; C30-Y63 WeakPolarHBondContact CB-OH 3.26Å; Y34-Y63 HydrophobicContact CD1-CD1 4.22Å; Y34-Y63 HydrophobicContact CD1-CG 4.37Å; Y34-Y63 AromaticContact CD2-CD1 3.43Å; Y34-Y63 HydrophobicContact CD2-CD1 3.43Å; Y34-Y63 VanDerWaalsContact CD2-CD1 3.43Å; Y34-Y63 AromaticContact CD2-CD2 3.95Å; Y34-Y63 HydrophobicContact CD2-CD2 3.95Å; Y34-Y63 AromaticContact CD2-CE1 3.89Å; Y34-Y63 HydrophobicContact CD2-CE1 3.89Å; Y34-Y63 HydrophobicContact CD2-CE2 4.35Å; Y34-Y63 AromaticContact CD2-CG 3.46Å; Y34-Y63 HydrophobicContact CD2-CG 3.46Å; Y34-Y63 VanDerWaalsContact CD2-CG 3.46Å; Y34-Y63 HydrophobicContact CE2-CD1 4.16Å; Y34-Y63 AromaticContact CE2-CD2 3.99Å; Y34-Y63 HydrophobicContact CE2-CD2 3.99Å; Y34-Y63 AromaticContact CE2-CG 3.69Å; Y34-Y63 HydrophobicContact CE2-CG 3.69Å; Y34-Y63 AromaticContact CG-CD1 3.47Å; Y34-Y63 HydrophobicContact CG-CD1 3.47Å; Y34-Y63 VanDerWaalsContact CG-CD1 3.47Å; Y34-Y63 HydrophobicContact CG-CE1 4.1Å; Y34-Y63 AromaticContact CG-CG 3.83Å; Y34-Y63 HydrophobicContact CG-CG 3.83Å; Q37-Y63 HydrophobicContact CB-CD1 4.14Å; Q37-Y63 HydrophobicContact CB-CE1 4.45Å; P40-Y63 HydrophobicContact CB-CD1 3.87Å; P40-Y63 HydrophobicContact CB-CE1 3.65Å; P40-Y63 HydrophobicContact CB-CE2 4.43Å; P40-Y63 HydrophobicContact CB-CG 4.35Å; P40-Y63 HydrophobicContact CG-CD1 4.4Å; P40-Y63 HydrophobicContact CG-CE1 3.68Å; P40-Y63 HydrophobicContact CG-CE2 4.32Å; Y63-W77 CarbonylContact O-C 3.56Å; Y63-W77 WeakPolarHBondContact O-CA 3.21Å; Y63-H78 PolarHBondContact N-O 3.09Å; Y63-H78 PolarHBondContact O-N 2.78Å; Y63-V80 HydrophobicContact CD2-CG2 4.46Å; Y63-V80 HydrophobicContact CE2-CG2 4.44Å
64	R	98.6	Very high	96.7	Very high	102 Å²	102	43.8 Å²	43.8	39%	0.385	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	122.1	165.4	-168.7	174.6	177.7	178.1	-1.7	108.6	Q37 E75 W77	Q37-R64 PolarHBondContact NE2-O 3.42Å; Q37-R64 PolarHBondContact OE1-O 3.08Å; R64-E75 IonicContact CZ-OE1 3.69Å; R64-E75 IonicContact NE-OE1 2.64Å; R64-E75 PolarHBondContact NE-OE1 2.95Å; R64-E75 IonicContact NH2-OE1 3.22Å; R64-E75 PolarHBondContact NH2-OE1 2.84Å; R64-E75 IonicContact NH2-OE2 3.26Å; R64-W77 HydrophobicContact CB-CE3 4.08Å; R64-W77 HydrophobicContact CB-CZ3 3.64Å; R64-W77 HydrophobicContact CG-CE3 4.29Å; R64-W77 HydrophobicContact CG-CH2 4.3Å; R64-W77 HydrophobicContact CG-CZ3 3.79Å
65	N	98.3	Very high	96.7	Very high	9 Å²	9	42 Å²	42	5%	0.048	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	117.9	174.9	-169.2	-46.7	0	0	0	109.4	Y34 G67 E75 H76 R112 Q173	Y34-N65 HydrophobicContact CE1-CB 3.96Å; Y34-N65 PolarHBondContact OH-ND2 3.28Å; N65-G67 PolarHBondContact O-N 2.89Å; N65-G67 VanDerWaalsContact O-N 3.11Å; N65-G67 PolarHBondContact OD1-N 3.32Å; N65-E75 WeakPolarHBondContact O-CA 3.26Å; N65-E75 WeakPolarHBondContact O-CG 3.43Å; N65-H76 WeakPolarHBondContact CB-NE2 3.27Å; N65-H76 PolarHBondContact N-O 2.96Å; N65-H76 PolarHBondContact O-N 2.8Å; N65-H76 PolarHBondContact OD1-CE1 3.2Å; N65-R112 PolarHBondContact ND2-NH1 3.19Å; N65-Q173 PolarHBondContact ND2-OE1 3.19Å
66	T	97.1	Very high	96.8	Very high	112 Å²	112	40 Å²	40	69%	0.687	23%	0.234	S	C	*	.			trans	-70.5	-4	-177.3	54.8	0	0	0	0	113.8
67	G	95.5	Very high	96.8	Very high	15 Å²	15	40.1 Å²	40.1	16%	0.155	23%	0.234	C	C	.	.			trans	74.6	-163.5	-174.9	0	0	0	0	0	112.6	N65 V73	N65-G67 PolarHBondContact O-N 2.89Å; N65-G67 VanDerWaalsContact O-N 3.11Å; N65-G67 PolarHBondContact OD1-N 3.32Å; G67-V73 WeakPolarHBondContact CA-O 3.45Å
68	C	94.6	Very high	96.8	Very high	32 Å²	32	40.1 Å²	40.1	22%	0.216	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-145	97.7	-178.2	-178.3	0	0	0	0	109	A70 Q71 D72 V73 W222	C68-A70 PolarHBondContact O-N 2.9Å; C68-Q71 HydrophobicContact CB-CB 4.26Å; C68-Q71 CarbonylContact O-C 3.59Å; C68-Q71 PolarHBondContact O-N 2.99Å; C68-D72 PolarHBondContact O-N 3.28Å; C68-D72 VanDerWaalsContact O-N 3.15Å; C68-V73 HydrophobicContact CB-CB 4.08Å; C68-V73 HydrophobicContact CB-CG2 4.45Å; C68-V73 PolarHBondContact N-O 3.2Å; C68-V73 PolarHBondContact O-N 2.67Å; C68-W222 HydrophobicContact CB-CH2 4.09Å; C68-W222 HydrophobicContact CB-CZ2 4.01Å
69	A	92.2	Very high	96.8	Very high	99 Å²	99	39.9 Å²	39.9	82%	0.818	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-58.6	-32.5	-178.5	0	0	0	0	0	112.9	Q71 D72	A69-Q71 PolarHBondContact O-N 3.24Å; A69-D72 PolarHBondContact O-N 2.95Å
70	A	93.4	Very high	96.9	Very high	100 Å²	100	37.6 Å²	37.6	83%	0.826	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-67.1	-22.3	177.2	0	0	0	0	0	113.5	C68	C68-A70 PolarHBondContact O-N 2.9Å
71	Q	91.3	Very high	96.9	Very high	102 Å²	102	37.5 Å²	37.5	48%	0.477	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-108.7	12.7	175.9	-64.9	177	35.5	0	0	111.7	C68 A69 V73	C68-Q71 HydrophobicContact CB-CB 4.26Å; C68-Q71 CarbonylContact O-C 3.59Å; C68-Q71 PolarHBondContact O-N 2.99Å; A69-Q71 PolarHBondContact O-N 3.24Å; Q71-V73 HydrophobicContact CB-CG2 3.89Å; Q71-V73 PolarHBondContact O-N 3.21Å
72	D	93.1	Very high	96.9	Very high	86 Å²	86	37.5 Å²	37.5	46%	0.46	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	32.6	-173.9	-160	33.9	0	0	0	114.7	C68 A69 K216	C68-D72 PolarHBondContact O-N 3.28Å; C68-D72 VanDerWaalsContact O-N 3.15Å; A69-D72 PolarHBondContact O-N 2.95Å; D72-K216 WeakPolarHBondContact OD1-CE 3.38Å; D72-K216 IonicContact OD1-NZ 3.44Å; D72-K216 PolarHBondContact OD1-NZ 2.78Å; D72-K216 VanDerWaalsContact OD2-CD 3.22Å; D72-K216 WeakPolarHBondContact OD2-CD 3.33Å; D72-K216 VanDerWaalsContact OD2-CE 3.22Å; D72-K216 WeakPolarHBondContact OD2-CE 3.48Å; D72-K216 IonicContact OD2-NZ 3.63Å; D72-K216 PolarHBondContact OD2-NZ 2.77Å
73	V	96.8	Very high	96.8	Very high	10 Å²	10	37.5 Å²	37.5	6%	0.061	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-92.1	121.2	178.6	176.8	0	0	0	0	109.4	G67 C68 Q71 P221 W222 I224	G67-V73 WeakPolarHBondContact CA-O 3.45Å; C68-V73 HydrophobicContact CB-CB 4.08Å; C68-V73 HydrophobicContact CB-CG2 4.45Å; C68-V73 PolarHBondContact N-O 3.2Å; C68-V73 PolarHBondContact O-N 2.67Å; Q71-V73 HydrophobicContact CB-CG2 3.89Å; Q71-V73 PolarHBondContact O-N 3.21Å; V73-P221 HydrophobicContact CG2-CB 4.38Å; V73-W222 HydrophobicContact CB-CD2 4.34Å; V73-W222 HydrophobicContact CG1-CB 4.25Å; V73-W222 HydrophobicContact CG1-CD2 3.62Å; V73-W222 HydrophobicContact CG1-CE3 3.45Å; V73-W222 VanDerWaalsContact CG1-CE3 3.45Å; V73-W222 HydrophobicContact CG1-CG 4.02Å; V73-W222 HydrophobicContact CG1-CH2 4.41Å; V73-W222 HydrophobicContact CG1-CZ3 3.86Å; V73-W222 HydrophobicContact CG2-CB 4.43Å; V73-W222 HydrophobicContact CG2-CD2 3.92Å; V73-W222 HydrophobicContact CG2-CG 3.85Å; V73-I224 HydrophobicContact CG1-CD1 3.72Å
74	Q	95.8	Very high	96.8	Very high	54 Å²	54	37.2 Å²	37.2	25%	0.252	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-77.1	163.2	178.7	66.2	-170.5	-22	0	0	113.4	H76 K114 I224	Q74-H76 PolarHBondContact O-ND1 3.06Å; Q74-K114 HydrophobicContact CG-CG 4.5Å; Q74-K114 VanDerWaalsContact OE1-CE 3.27Å; Q74-I224 HydrophobicContact CG-CD1 3.88Å; Q74-I224 WeakPolarHBondContact O-CD1 3.19Å
75	E	97.9	Very high	96.8	Very high	50 Å²	50	32.4 Å²	32.4	23%	0.234	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-64.9	139.5	173.3	-175.8	175	-146.8	0	0	111.5	R64 N65 R115	R64-E75 IonicContact CZ-OE1 3.69Å; R64-E75 IonicContact NE-OE1 2.64Å; R64-E75 PolarHBondContact NE-OE1 2.95Å; R64-E75 IonicContact NH2-OE1 3.22Å; R64-E75 PolarHBondContact NH2-OE1 2.84Å; R64-E75 IonicContact NH2-OE2 3.26Å; N65-E75 WeakPolarHBondContact O-CA 3.26Å; N65-E75 WeakPolarHBondContact O-CG 3.43Å; E75-R115 HydrophobicContact CG-CB 4.32Å; E75-R115 PolarHBondContact O-N 2.82Å; E75-R115 IonicContact OE1-NH1 3.62Å; E75-R115 IonicContact OE2-CZ 2.72Å; E75-R115 IonicContact OE2-NE 3.93Å; E75-R115 IonicContact OE2-NH1 3.99Å; E75-R115 PolarHBondContact OE2-NH1 2.86Å
76	H	98.8	Very high	96.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	165.5	-175.4	58.4	-79	0	0	0	111.9	N65 Q74 R112 L113 W222 I224	N65-H76 WeakPolarHBondContact CB-NE2 3.27Å; N65-H76 PolarHBondContact N-O 2.96Å; N65-H76 PolarHBondContact O-N 2.8Å; N65-H76 PolarHBondContact OD1-CE1 3.2Å; Q74-H76 PolarHBondContact O-ND1 3.06Å; H76-R112 PolarHBondContact NE2-NH1 3.29Å; H76-L113 CarbonylContact C-O 3.5Å; H76-L113 VanDerWaalsContact CA-O 3.31Å; H76-L113 WeakPolarHBondContact CA-O 3.44Å; H76-L113 WeakPolarHBondContact CB-O 3.39Å; H76-W222 AromaticContact CE1-CE3 3.58Å; H76-W222 AromaticContact CE1-CZ3 3.75Å; H76-W222 AromaticContact NE2-CE3 3.99Å; H76-I224 HydrophobicContact CB-CD1 4.16Å; H76-I224 HydrophobicContact CB-CG1 4.39Å; H76-I224 HydrophobicContact CB-CG2 3.86Å; H76-I224 VanDerWaalsContact ND1-CD1 3.32Å; H76-I224 WeakPolarHBondContact ND1-CD1 3.43Å
77	W	98.9	Very high	96.9	Very high	7 Å²	7	26.9 Å²	26.9	3%	0.027	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	134.2	167.3	-55.8	112.7	0	0	0	109.6	Y63 R64 Y79 R112 L113 R115 E119 A121 P122	Y63-W77 CarbonylContact O-C 3.56Å; Y63-W77 WeakPolarHBondContact O-CA 3.21Å; R64-W77 HydrophobicContact CB-CE3 4.08Å; R64-W77 HydrophobicContact CB-CZ3 3.64Å; R64-W77 HydrophobicContact CG-CE3 4.29Å; R64-W77 HydrophobicContact CG-CH2 4.3Å; R64-W77 HydrophobicContact CG-CZ3 3.79Å; W77-Y79 HydrophobicContact CB-CE2 3.62Å; W77-R112 WeakPolarHBondContact O-CA 3.32Å; W77-L113 HydrophobicContact CB-CB 4.47Å; W77-L113 PolarHBondContact N-O 2.85Å; W77-L113 PolarHBondContact O-N 2.85Å; W77-R115 HydrophobicContact CZ2-CG 3.98Å; W77-E119 HydrophobicContact CZ2-CB 4.05Å; W77-E119 PolarHBondContact NE1-OE2 2.99Å; W77-A121 VanDerWaalsContact CZ2-C 3.46Å; W77-A121 WeakPolarHBondContact CZ2-O 3.38Å; W77-P122 HydrophobicContact CB-CB 4.2Å; W77-P122 HydrophobicContact CD2-CB 3.6Å; W77-P122 HydrophobicContact CD2-CG 4.5Å; W77-P122 HydrophobicContact CE3-CB 3.59Å; W77-P122 HydrophobicContact CE3-CG 4.04Å; W77-P122 HydrophobicContact CG-CB 3.86Å; W77-P122 HydrophobicContact CZ3-CB 4.16Å; W77-P122 HydrophobicContact CZ3-CG 4.21Å
78	H	98.9	Very high	97	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	117.5	178.4	-177.8	-130.1	0	0	0	110.4	Y34 Y63 F111 D171	Y34-H78 AromaticContact CE2-ND1 3.53Å; Y34-H78 AromaticContact CZ-ND1 3.64Å; Y34-H78 VanDerWaalsContact OH-CB 3.24Å; Y34-H78 WeakPolarHBondContact OH-CB 3.5Å; Y34-H78 VanDerWaalsContact OH-CG 3.28Å; Y34-H78 PolarHBondContact OH-ND1 2.98Å; Y63-H78 PolarHBondContact N-O 3.09Å; Y63-H78 PolarHBondContact O-N 2.78Å; H78-F111 CarbonylContact C-O 3.59Å; H78-F111 WeakPolarHBondContact CA-O 3.31Å; H78-F111 PolarHBondContact CD2-O 2.88Å; H78-D171 IonicContact CE1-OD2 3.63Å; H78-D171 IonicContact NE2-OD2 2.63Å; H78-D171 PolarHBondContact NE2-OD2 3.05Å; H78-D171 VanDerWaalsContact NE2-OD2 3.07Å
79	Y	98.9	Very high	97.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	137.7	-178.7	-54.1	-100.7	0	0	0	109.2	S61 M62 W77 T110 F111 L113 P122 P123 P126	S61-Y79 CarbonylContact O-C 3.38Å; S61-Y79 WeakPolarHBondContact O-CA 3.25Å; M62-Y79 HydrophobicContact CB-CD1 4.31Å; M62-Y79 HydrophobicContact CB-CE1 4.29Å; M62-Y79 HydrophobicContact CE-CD1 4.18Å; M62-Y79 HydrophobicContact CE-CE1 4.1Å; M62-Y79 HydrophobicContact CG-CD1 3.69Å; M62-Y79 HydrophobicContact CG-CE1 3.8Å; M62-Y79 HydrophobicContact SD-CD1 4.27Å; M62-Y79 HydrophobicContact SD-CE1 3.89Å; W77-Y79 HydrophobicContact CB-CE2 3.62Å; Y79-T110 CarbonylContact O-C 3.51Å; Y79-T110 WeakPolarHBondContact O-CA 3.26Å; Y79-T110 WeakPolarHBondContact O-CB 3.11Å; Y79-F111 HydrophobicContact CD2-CB 4.06Å; Y79-F111 AromaticContact CD2-CD1 3.69Å; Y79-F111 HydrophobicContact CD2-CD1 3.69Å; Y79-F111 HydrophobicContact CD2-CG 4.31Å; Y79-F111 WeakPolarHBondContact CD2-O 3.2Å; Y79-F111 AromaticContact CE2-CD1 3.97Å; Y79-F111 HydrophobicContact CE2-CD1 3.97Å; Y79-F111 HydrophobicContact CG-CB 4.44Å; Y79-F111 HydrophobicContact CG-CD1 4.49Å; Y79-F111 PolarHBondContact N-O 2.87Å; Y79-F111 PolarHBondContact O-N 2.86Å; Y79-L113 HydrophobicContact CE2-CB 3.82Å; Y79-P122 HydrophobicContact CE1-CB 4.41Å; Y79-P123 WeakPolarHBondContact CE1-O 3.4Å; Y79-P123 WeakPolarHBondContact OH-CD 3.42Å; Y79-P123 WeakPolarHBondContact OH-CG 3.45Å; Y79-P123 PolarHBondContact OH-O 3.11Å; Y79-P123 VanDerWaalsContact OH-O 3.07Å; Y79-P126 HydrophobicContact CD1-CB 3.96Å; Y79-P126 HydrophobicContact CD1-CG 4.38Å; Y79-P126 HydrophobicContact CD2-CB 4.25Å; Y79-P126 HydrophobicContact CE1-CB 3.88Å; Y79-P126 HydrophobicContact CE1-CG 3.8Å; Y79-P126 HydrophobicContact CE2-CB 4.19Å; Y79-P126 HydrophobicContact CE2-CG 3.95Å; Y79-P126 HydrophobicContact CG-CB 4.18Å
80	V	98.9	Very high	97.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	123.1	177.6	-175.8	0	0	0	0	108.5	I26 I60 S61 Y63 F82 T110 M174 F186	I26-V80 HydrophobicContact CG2-CG1 4.22Å; I60-V80 CarbonylContact C-O 3.49Å; I60-V80 WeakPolarHBondContact CA-O 3.24Å; S61-V80 PolarHBondContact N-O 3.26Å; S61-V80 PolarHBondContact O-N 3.41Å; Y63-V80 HydrophobicContact CD2-CG2 4.46Å; Y63-V80 HydrophobicContact CE2-CG2 4.44Å; V80-F82 HydrophobicContact CB-CE2 4.3Å; V80-F82 HydrophobicContact CG1-CE2 4.13Å; V80-F82 HydrophobicContact CG1-CZ 4.27Å; V80-F82 WeakPolarHBondContact O-CD2 3.41Å; V80-F82 VanDerWaalsContact O-CE2 3.29Å; V80-F82 WeakPolarHBondContact O-CE2 3.48Å; V80-T110 HydrophobicContact CG2-CG2 4.36Å; V80-M174 HydrophobicContact CG1-CE 4.23Å; V80-M174 HydrophobicContact CG1-SD 4.18Å; V80-M174 HydrophobicContact CG2-SD 3.83Å; V80-F186 HydrophobicContact CG1-CE1 4.31Å
81	S	98.9	Very high	97.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	161.7	176.7	67.7	0	0	0	0	113.2	E108 L109	S81-E108 WeakPolarHBondContact CB-OE2 2.99Å; S81-E108 WeakPolarHBondContact O-CG 3.24Å; S81-E108 PolarHBondContact OG-OE2 2.86Å; S81-L109 PolarHBondContact N-O 2.54Å; S81-L109 PolarHBondContact OG-N 2.94Å; S81-L109 PolarHBondContact OG-O 2.87Å
82	F	98.8	Very high	97.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	112.7	172.7	-56	-104.6	0	0	0	107.7	L23 I26 Y27 L57 D58 Y59 S61 V80 L87 E108	L23-F82 HydrophobicContact CD1-CB 4.11Å; L23-F82 HydrophobicContact CD1-CD1 3.51Å; L23-F82 HydrophobicContact CD1-CE1 4.15Å; L23-F82 HydrophobicContact CD1-CG 4.03Å; I26-F82 HydrophobicContact CB-CD1 3.9Å; I26-F82 HydrophobicContact CB-CE1 3.56Å; I26-F82 HydrophobicContact CD1-CD1 3.91Å; I26-F82 HydrophobicContact CD1-CE1 4.46Å; I26-F82 HydrophobicContact CG2-CD1 3.7Å; I26-F82 HydrophobicContact CG2-CE1 3.19Å; I26-F82 HydrophobicContact CG2-CZ 3.73Å; Y27-F82 AromaticContact CD1-CE1 3.8Å; Y27-F82 HydrophobicContact CD1-CE1 3.8Å; Y27-F82 AromaticContact CD1-CZ 3.72Å; Y27-F82 HydrophobicContact CD1-CZ 3.72Å; Y27-F82 AromaticContact CE1-CE1 3.81Å; Y27-F82 HydrophobicContact CE1-CE1 3.81Å; Y27-F82 HydrophobicContact CE1-CE2 4.32Å; Y27-F82 AromaticContact CE1-CZ 3.58Å; Y27-F82 HydrophobicContact CE1-CZ 3.58Å; Y27-F82 HydrophobicContact CG-CE1 4.27Å; L57-F82 CarbonylContact C-O 3.55Å; D58-F82 PolarHBondContact N-O 2.88Å; Y59-F82 HydrophobicContact CD2-CB 4.13Å; Y59-F82 PolarHBondContact N-O 3.5Å; Y59-F82 WeakPolarHBondContact O-CD2 3.2Å; Y59-F82 PolarHBondContact O-N 2.59Å; S61-F82 VanDerWaalsContact OG-CE2 3.24Å; S61-F82 WeakPolarHBondContact OG-CE2 3.45Å; V80-F82 HydrophobicContact CB-CE2 4.3Å; V80-F82 HydrophobicContact CG1-CE2 4.13Å; V80-F82 HydrophobicContact CG1-CZ 4.27Å; V80-F82 WeakPolarHBondContact O-CD2 3.41Å; V80-F82 VanDerWaalsContact O-CE2 3.29Å; V80-F82 WeakPolarHBondContact O-CE2 3.48Å; F82-L87 HydrophobicContact CB-CD1 4.02Å; F82-L87 HydrophobicContact CB-CD2 4.22Å; F82-E108 WeakPolarHBondContact CA-OE2 3.33Å; F82-E108 PolarHBondContact N-OE2 3.39Å
83	G	98.5	Very high	98	Very high	4 Å²	4	24 Å²	24	4%	0.041	12%	0.123	C	C	.	.	S	Bend	trans	153	-19.1	173.6	0	0	0	0	0	114.8	H94 E108	G83-H94 PolarHBondContact O-NE2 2.97Å; G83-E108 PolarHBondContact N-OE1 3.29Å; G83-E108 PolarHBondContact N-OE2 3.11Å
84	L	98.6	Very high	98.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	-74.9	-33.2	173	-76.9	162.6	0	0	0	111.5	L57 H94 F105 F107 E108 L109 A134 V137 F138	L57-L84 HydrophobicContact CD2-CD1 4.13Å; L57-L84 HydrophobicContact CD2-CG 3.83Å; L84-H94 PolarHBondContact O-CE1 3.27Å; L84-H94 PolarHBondContact O-NE2 2.55Å; L84-F105 HydrophobicContact CD2-CD2 3.82Å; L84-F105 HydrophobicContact CD2-CE2 4.42Å; L84-F105 WeakPolarHBondContact O-CD2 3.26Å; L84-F105 PolarHBondContact O-N 2.92Å; L84-F107 WeakPolarHBondContact CB-O 3.15Å; L84-F107 HydrophobicContact CD1-CD2 4.29Å; L84-F107 HydrophobicContact CD1-CE2 3.77Å; L84-F107 HydrophobicContact CD1-CZ 4.34Å; L84-E108 PolarHBondContact N-OE1 3.5Å; L84-L109 HydrophobicContact CD1-CB 4.47Å; L84-L109 HydrophobicContact CD1-CD1 3.78Å; L84-L109 HydrophobicContact CD1-CG 3.64Å; L84-A134 HydrophobicContact CD2-CB 4.24Å; L84-A134 HydrophobicContact CG-CB 4.42Å; L84-V137 HydrophobicContact CD2-CB 3.99Å; L84-V137 HydrophobicContact CD2-CG1 3.84Å; L84-V137 HydrophobicContact CD2-CG2 4.42Å; L84-F138 HydrophobicContact CD2-CD2 4.17Å; L84-F138 HydrophobicContact CD2-CE2 3.87Å
85	S	98.6	Very high	98.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.149	C	C	.	.	S	Bend	trans	-81.7	161.9	168.3	63.8	0	0	0	0	112	I26 L87 H94 S103 E108	I26-S85 WeakPolarHBondContact CD1-OG 3.47Å; S85-L87 PolarHBondContact O-N 3.19Å; S85-L87 VanDerWaalsContact O-N 3.08Å; S85-H94 PolarHBondContact O-CD2 3.27Å; S85-H94 PolarHBondContact O-NE2 3.12Å; S85-S103 WeakPolarHBondContact CA-O 3.5Å; S85-E108 WeakPolarHBondContact CB-OE1 3.47Å; S85-E108 PolarHBondContact N-OE1 3.29Å; S85-E108 PolarHBondContact OG-OE1 3.26Å
86	D	98.5	Very high	98	Very high	4 Å²	4	31.8 Å²	31.8	2%	0.021	16%	0.157	C	C	.	.			trans	-73.6	102.8	171.9	-175.3	6	0	0	0	109.7	Y88 G89 H94 S103 F181	D86-Y88 PolarHBondContact OD1-N 2.8Å; D86-G89 PolarHBondContact OD1-N 2.84Å; D86-G89 WeakPolarHBondContact OD2-CA 3.5Å; D86-G89 PolarHBondContact OD2-N 2.97Å; D86-H94 HydrophobicContact CB-CB 4Å; D86-S103 WeakPolarHBondContact CB-OG 3.4Å; D86-S103 PolarHBondContact N-OG 2.92Å; D86-S103 PolarHBondContact O-OG 3.3Å; D86-F181 HydrophobicContact CB-CB 4.1Å; D86-F181 VanDerWaalsContact O-CD2 3.23Å; D86-F181 WeakPolarHBondContact O-CD2 3.38Å
87	L	98.3	Very high	97.7	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.01	18%	0.182	C	C	.	.	S	Bend	trans	-76.8	-27.5	179.3	-56.5	-176.5	0	0	0	112.4	P20 G22 L23 I26 D58 F82 S85	P20-L87 WeakPolarHBondContact CB-O 3.4Å; G22-L87 PolarHBondContact N-O 3.05Å; L23-L87 HydrophobicContact CD1-CD1 4.33Å; I26-L87 HydrophobicContact CD1-CD2 3.74Å; D58-L87 HydrophobicContact CB-CD1 4.28Å; F82-L87 HydrophobicContact CB-CD1 4.02Å; F82-L87 HydrophobicContact CB-CD2 4.22Å; S85-L87 PolarHBondContact O-N 3.19Å; S85-L87 VanDerWaalsContact O-N 3.08Å
88	Y	97.6	Very high	97.4	Very high	34 Å²	34	36.1 Å²	36.1	13%	0.133	19%	0.188	C	C	.	.	S	Bend	trans	-116.5	-35.2	-159.6	-61.2	-75.8	0	0	0	114.3	P20 W50 D58 D86 D90 R92 F181	P20-Y88 HydrophobicContact CB-CD1 3.75Å; P20-Y88 HydrophobicContact CB-CE1 4.1Å; P20-Y88 HydrophobicContact CG-CD1 3.51Å; P20-Y88 HydrophobicContact CG-CE1 3.42Å; P20-Y88 VanDerWaalsContact CG-CE1 3.42Å; W50-Y88 HydrophobicContact CE3-CE2 4.38Å; W50-Y88 AromaticContact CH2-CE2 3.74Å; W50-Y88 HydrophobicContact CH2-CE2 3.74Å; W50-Y88 AromaticContact CH2-CZ 3.61Å; W50-Y88 VanDerWaalsContact CH2-OH 3.27Å; W50-Y88 WeakPolarHBondContact CH2-OH 3.13Å; W50-Y88 HydrophobicContact CZ3-CD2 4.46Å; W50-Y88 AromaticContact CZ3-CE2 3.52Å; W50-Y88 HydrophobicContact CZ3-CE2 3.52Å; W50-Y88 AromaticContact CZ3-CZ 3.91Å; D58-Y88 VanDerWaalsContact OD2-CE2 3.25Å; D58-Y88 WeakPolarHBondContact OD2-CE2 3.48Å; D58-Y88 PolarHBondContact OD2-OH 3.46Å; D86-Y88 PolarHBondContact OD1-N 2.8Å; Y88-D90 WeakPolarHBondContact CB-OD1 3.27Å; Y88-R92 VanDerWaalsContact CD2-CD 3.49Å; Y88-R92 HydrophobicContact CD2-CG 4.07Å; Y88-R92 VanDerWaalsContact CE1-NH1 3.25Å; Y88-R92 HydrophobicContact CG-CG 4.45Å; Y88-R92 VanDerWaalsContact CG-CZ 3.45Å; Y88-F181 WeakPolarHBondContact O-CZ 3.33Å
89	G	96.8	Very high	97.2	Very high	20 Å²	20	39.5 Å²	39.5	21%	0.206	21%	0.208	C	C	.	.	S	Bend	trans	76.4	16.6	178.8	0	0	0	0	0	115.4	D86	D86-G89 PolarHBondContact OD1-N 2.84Å; D86-G89 WeakPolarHBondContact OD2-CA 3.5Å; D86-G89 PolarHBondContact OD2-N 2.97Å
90	D	96.9	Very high	96.9	Very high	77 Å²	77	46.1 Å²	46.1	41%	0.412	24%	0.244	S	C	.	.	S	Bend	trans	-124.6	20.1	-170.1	72.1	-11.7	0	0	0	114.7	Y88 R92	Y88-D90 WeakPolarHBondContact CB-OD1 3.27Å; D90-R92 VanDerWaalsContact CG-NE 3.29Å; D90-R92 PolarHBondContact O-N 2.75Å; D90-R92 WeakPolarHBondContact OD1-CB 3.35Å; D90-R92 WeakPolarHBondContact OD1-CG 3.24Å; D90-R92 IonicContact OD1-CZ 2.69Å; D90-R92 PolarHBondContact OD1-N 3.37Å; D90-R92 IonicContact OD1-NE 3.77Å; D90-R92 PolarHBondContact OD1-NE 3.38Å; D90-R92 IonicContact OD1-NH2 2.68Å; D90-R92 IonicContact OD2-CZ 3.93Å; D90-R92 IonicContact OD2-NE 3.89Å; D90-R92 PolarHBondContact OD2-NE 2.9Å; D90-R92 IonicContact OD2-NH2 3.09Å; D90-R92 PolarHBondContact OD2-NH2 3.12Å
91	N	97.1	Very high	96.6	Very high	104 Å²	104	47.9 Å²	47.9	56%	0.556	26%	0.262	S	S	*	.	S	Bend	trans	62.9	16.4	177.5	-53.8	-63.8	0	0	0	115.4	V93 H94 F96	N91-V93 VanDerWaalsContact C-N 3.34Å; N91-H94 VanDerWaalsContact CA-O 3.3Å; N91-H94 WeakPolarHBondContact CA-O 3.39Å; N91-F96 WeakPolarHBondContact OD1-CB 3.28Å; N91-F96 PolarHBondContact OD1-N 3.12Å
92	R	97.4	Very high	96.5	Very high	90 Å²	90	51.2 Å²	51.2	34%	0.34	28%	0.284	S	S	.	.	S	Bend	trans	-71.7	-27.3	179	71.8	175.6	73.5	176.2	-0.1	114	W50 Y88 D90	W50-R92 HydrophobicContact CB-CB 4.35Å; W50-R92 VanDerWaalsContact CB-O 3.22Å; W50-R92 WeakPolarHBondContact CB-O 3.49Å; W50-R92 HydrophobicContact CD2-CG 4.33Å; W50-R92 HydrophobicContact CE3-CG 4.38Å; W50-R92 HydrophobicContact CG-CB 4.36Å; W50-R92 HydrophobicContact CG-CG 4.43Å; Y88-R92 VanDerWaalsContact CD2-CD 3.49Å; Y88-R92 HydrophobicContact CD2-CG 4.07Å; Y88-R92 VanDerWaalsContact CE1-NH1 3.25Å; Y88-R92 HydrophobicContact CG-CG 4.45Å; Y88-R92 VanDerWaalsContact CG-CZ 3.45Å; D90-R92 VanDerWaalsContact CG-NE 3.29Å; D90-R92 PolarHBondContact O-N 2.75Å; D90-R92 WeakPolarHBondContact OD1-CB 3.35Å; D90-R92 WeakPolarHBondContact OD1-CG 3.24Å; D90-R92 IonicContact OD1-CZ 2.69Å; D90-R92 PolarHBondContact OD1-N 3.37Å; D90-R92 IonicContact OD1-NE 3.77Å; D90-R92 PolarHBondContact OD1-NE 3.38Å; D90-R92 IonicContact OD1-NH2 2.68Å; D90-R92 IonicContact OD2-CZ 3.93Å; D90-R92 IonicContact OD2-NE 3.89Å; D90-R92 PolarHBondContact OD2-NE 2.9Å; D90-R92 IonicContact OD2-NH2 3.09Å; D90-R92 PolarHBondContact OD2-NH2 3.12Å
93	V	97.8	Very high	96.5	Very high	48 Å²	48	51.2 Å²	51.2	29%	0.291	28%	0.284	S	S	.	.	S	Bend	trans	-133.3	-57.5	177.8	174.1	0	0	0	0	109.4	Y49 W50 N91 F138	Y49-V93 HydrophobicContact CD1-CG1 4.25Å; Y49-V93 HydrophobicContact CD1-CG2 4.37Å; W50-V93 HydrophobicContact CB-CG2 3.84Å; W50-V93 HydrophobicContact CD2-CG2 4.44Å; W50-V93 HydrophobicContact CE3-CG2 3.73Å; N91-V93 VanDerWaalsContact C-N 3.34Å; V93-F138 HydrophobicContact CG1-CE1 3.52Å; V93-F138 HydrophobicContact CG1-CZ 3.86Å
94	H	97.9	Very high	96.5	Very high	21 Å²	21	52.1 Å²	52.1	10%	0.097	29%	0.293	C	S	.	.	S	Bend	trans	-100	140.1	-177.3	-61.6	-73.7	0	0	0	110.9	G83 L84 S85 D86 N91 F105 F138	G83-H94 PolarHBondContact O-NE2 2.97Å; L84-H94 PolarHBondContact O-CE1 3.27Å; L84-H94 PolarHBondContact O-NE2 2.55Å; S85-H94 PolarHBondContact O-CD2 3.27Å; S85-H94 PolarHBondContact O-NE2 3.12Å; D86-H94 HydrophobicContact CB-CB 4Å; N91-H94 VanDerWaalsContact CA-O 3.3Å; N91-H94 WeakPolarHBondContact CA-O 3.39Å; H94-F105 AromaticContact CE1-CD2 3.74Å; H94-F105 AromaticContact CE1-CE2 3.83Å; H94-F138 AromaticContact CE1-CE1 3.86Å; H94-F138 AromaticContact CE1-CZ 3.53Å; H94-F138 AromaticContact NE2-CZ 3.79Å
95	E	96.6	Very high	96.4	Very high	162 Å²	162	53.8 Å²	53.8	76%	0.757	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-65.3	132.7	169.1	-175.5	177.7	-178.4	0	0	110	T97	E95-T97 PolarHBondContact O-N 3.16Å
96	F	95.8	Very high	96.4	Very high	94 Å²	94	54.2 Å²	54.2	41%	0.412	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-72.5	116.7	178.9	177.2	-91.3	0	0	0	111.1	N91 F181	N91-F96 WeakPolarHBondContact OD1-CB 3.28Å; N91-F96 PolarHBondContact OD1-N 3.12Å; F96-F181 HydrophobicContact CD2-CD1 4.24Å; F96-F181 AromaticContact CE2-CD1 3.82Å; F96-F181 HydrophobicContact CE2-CD1 3.82Å; F96-F181 HydrophobicContact CE2-CE1 4.41Å
97	T	92.9	Very high	96.4	Very high	83 Å²	83	54.2 Å²	54.2	51%	0.509	30%	0.304	S	S	.	.			trans	-104	-3.6	-177.7	52.2	0	0	0	0	114	E95 P102	E95-T97 PolarHBondContact O-N 3.16Å; T97-P102 PolarHBondContact OG1-O 2.68Å
98	G	92.5	Very high	96.4	Very high	15 Å²	15	54.1 Å²	54.1	16%	0.155	30%	0.303	C	S	.	.			trans	90.2	-161.7	-176.7	0	0	0	0	0	113.8	F181 G182	G98-F181 CarbonylContact O-C 2.94Å; G98-F181 WeakPolarHBondContact O-CA 3.42Å; G98-G182 PolarHBondContact O-N 2.71Å; G98-G182 VanDerWaalsContact O-N 3.12Å
99	T	93.9	Very high	96.5	Very high	71 Å²	71	52.5 Å²	52.5	44%	0.436	30%	0.297	S	S	.	.	S	Bend	trans	-86.6	-23.3	-178.2	52.4	0	0	0	0	113.1	Q178 P180	T99-Q178 PolarHBondContact O-NE2 2.81Å; T99-P180 WeakPolarHBondContact CG2-O 3.25Å
100	D	92.5	Very high	96.6	Very high	140 Å²	140	51.5 Å²	51.5	75%	0.749	29%	0.287	S	S	*	.	S	Bend	trans	-93.2	124.3	-174.1	-60.1	-19.7	0	0	0	108.9
101	G	93.7	Very high	96.7	Very high	36 Å²	36	47.9 Å²	47.9	37%	0.371	27%	0.268	S	S	.	.	S	Bend	trans	95.4	-170.1	-175.4	0	0	0	0	0	113.6	G182 T183	G101-G182 CarbonylContact O-C 2.98Å; G101-G182 WeakPolarHBondContact O-CA 3.06Å; G101-T183 PolarHBondContact O-N 3.45Å; G101-T183 PolarHBondContact O-OG1 3.43Å
102	P	96.7	Very high	96.7	Very high	71 Å²	71	42.9 Å²	42.9	46%	0.461	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	142	-173.7	29.5	-34.2	0	0	0	112.3	T97 G106	T97-P102 PolarHBondContact OG1-O 2.68Å; P102-G106 VanDerWaalsContact CB-CA 3.46Å
103	S	98.4	Very high	96.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	117.4	168.2	177.4	0	0	0	0	110.5	S85 D86 F105 G106 F181 T183	S85-S103 WeakPolarHBondContact CA-O 3.5Å; D86-S103 WeakPolarHBondContact CB-OG 3.4Å; D86-S103 PolarHBondContact N-OG 2.92Å; D86-S103 PolarHBondContact O-OG 3.3Å; S103-F105 PolarHBondContact O-N 3.38Å; S103-G106 WeakPolarHBondContact O-CA 3.42Å; S103-G106 PolarHBondContact O-N 3.15Å; S103-F181 WeakPolarHBondContact CA-O 3.1Å; S103-F181 WeakPolarHBondContact CB-O 3.06Å; S103-F181 PolarHBondContact OG-O 2.9Å; S103-T183 PolarHBondContact N-O 3.01Å
104	G	97.9	Very high	96.9	Very high	22 Å²	22	39.3 Å²	39.3	23%	0.227	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	56	-124.8	-170.8	0	0	0	0	0	110.4	G106	G104-G106 PolarHBondContact O-N 3.17Å
105	F	96.8	Very high	96.9	Very high	36 Å²	36	41 Å²	41	16%	0.158	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	-5.5	172.8	-68.8	-69.5	0	0	0	114.4	L84 H94 S103 F107 V137 F138 T143	L84-F105 HydrophobicContact CD2-CD2 3.82Å; L84-F105 HydrophobicContact CD2-CE2 4.42Å; L84-F105 WeakPolarHBondContact O-CD2 3.26Å; L84-F105 PolarHBondContact O-N 2.92Å; H94-F105 AromaticContact CE1-CD2 3.74Å; H94-F105 AromaticContact CE1-CE2 3.83Å; S103-F105 PolarHBondContact O-N 3.38Å; F105-F107 HydrophobicContact CB-CD1 4.24Å; F105-F107 HydrophobicContact CB-CE1 3.93Å; F105-F107 WeakPolarHBondContact O-CD1 3.45Å; F105-V137 HydrophobicContact CB-CG1 4.4Å; F105-V137 HydrophobicContact CD1-CG1 3.66Å; F105-V137 HydrophobicContact CD2-CG1 3.75Å; F105-V137 HydrophobicContact CE1-CG1 3.76Å; F105-V137 HydrophobicContact CE2-CG1 3.85Å; F105-V137 HydrophobicContact CG-CG1 3.66Å; F105-V137 HydrophobicContact CZ-CG1 3.86Å; F105-F138 HydrophobicContact CD2-CE2 4.24Å; F105-F138 HydrophobicContact CD2-CZ 4.36Å; F105-F138 AromaticContact CE2-CD1 3.88Å; F105-F138 HydrophobicContact CE2-CD1 3.88Å; F105-F138 AromaticContact CE2-CD2 3.79Å; F105-F138 HydrophobicContact CE2-CD2 3.79Å; F105-F138 AromaticContact CE2-CE1 3.81Å; F105-F138 HydrophobicContact CE2-CE1 3.81Å; F105-F138 AromaticContact CE2-CE2 3.75Å; F105-F138 HydrophobicContact CE2-CE2 3.75Å; F105-F138 AromaticContact CE2-CG 3.88Å; F105-F138 HydrophobicContact CE2-CG 3.88Å; F105-F138 AromaticContact CE2-CZ 3.77Å; F105-F138 HydrophobicContact CE2-CZ 3.77Å; F105-F138 HydrophobicContact CZ-CD1 4.29Å; F105-F138 HydrophobicContact CZ-CG 4.32Å; F105-T143 HydrophobicContact CB-CG2 4.34Å; F105-T143 HydrophobicContact CD1-CG2 3.96Å
106	G	97.6	Very high	96.9	Very high	8 Å²	8	36.4 Å²	36.4	8%	0.082	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	85.5	2.8	174.8	0	0	0	0	0	115.5	P102 S103 G104 S185	P102-G106 VanDerWaalsContact CB-CA 3.46Å; S103-G106 WeakPolarHBondContact O-CA 3.42Å; S103-G106 PolarHBondContact O-N 3.15Å; G104-G106 PolarHBondContact O-N 3.17Å; G106-S185 PolarHBondContact O-N 3.41Å; G106-S185 PolarHBondContact O-OG 3.01Å
107	F	98.7	Very high	96.8	Very high	4 Å²	4	36.8 Å²	36.8	2%	0.018	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	162.1	178.1	70	-84.9	0	0	0	112.6	L84 F105 L109 V137 F144 S185 L187	L84-F107 WeakPolarHBondContact CB-O 3.15Å; L84-F107 HydrophobicContact CD1-CD2 4.29Å; L84-F107 HydrophobicContact CD1-CE2 3.77Å; L84-F107 HydrophobicContact CD1-CZ 4.34Å; F105-F107 HydrophobicContact CB-CD1 4.24Å; F105-F107 HydrophobicContact CB-CE1 3.93Å; F105-F107 WeakPolarHBondContact O-CD1 3.45Å; F107-L109 HydrophobicContact CD2-CD2 4.5Å; F107-L109 HydrophobicContact CE2-CD2 3.97Å; F107-L109 HydrophobicContact CE2-CG 4.21Å; F107-V137 HydrophobicContact CZ-CG1 4.48Å; F107-V137 HydrophobicContact CZ-CG2 4.24Å; F107-F144 HydrophobicContact CE1-CB 4.42Å; F107-F144 HydrophobicContact CE2-CD2 4.32Å; F107-F144 HydrophobicContact CZ-CB 4.06Å; F107-F144 AromaticContact CZ-CD2 3.9Å; F107-F144 HydrophobicContact CZ-CD2 3.9Å; F107-F144 HydrophobicContact CZ-CG 4.43Å; F107-S185 CarbonylContact C-O 3.59Å; F107-S185 WeakPolarHBondContact CA-O 3.29Å; F107-S185 VanDerWaalsContact CB-OG 3.3Å; F107-S185 WeakPolarHBondContact CB-OG 3.42Å; F107-L187 HydrophobicContact CB-CD1 4.28Å; F107-L187 HydrophobicContact CB-CG 4.21Å; F107-L187 HydrophobicContact CD1-CD1 4.29Å; F107-L187 HydrophobicContact CD2-CB 4.14Å; F107-L187 HydrophobicContact CD2-CD1 3.76Å; F107-L187 HydrophobicContact CD2-CG 4.11Å; F107-L187 HydrophobicContact CE2-CD1 4.12Å; F107-L187 HydrophobicContact CG-CD1 3.85Å; F107-L187 HydrophobicContact CG-CG 4.24Å
108	E	98.9	Very high	96.9	Very high	0 Å²	0	36 Å²	36	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	151.9	161.4	-71.4	-66.5	168.2	0	0	109.8	I26 S81 F82 G83 L84 S85 V184 S185 F186 L187	I26-E108 HydrophobicContact CD1-CG 3.96Å; S81-E108 WeakPolarHBondContact CB-OE2 2.99Å; S81-E108 WeakPolarHBondContact O-CG 3.24Å; S81-E108 PolarHBondContact OG-OE2 2.86Å; F82-E108 WeakPolarHBondContact CA-OE2 3.33Å; F82-E108 PolarHBondContact N-OE2 3.39Å; G83-E108 PolarHBondContact N-OE1 3.29Å; G83-E108 PolarHBondContact N-OE2 3.11Å; L84-E108 PolarHBondContact N-OE1 3.5Å; S85-E108 WeakPolarHBondContact CB-OE1 3.47Å; S85-E108 PolarHBondContact N-OE1 3.29Å; S85-E108 PolarHBondContact OG-OE1 3.26Å; E108-V184 HydrophobicContact CG-CG1 3.99Å; E108-S185 PolarHBondContact N-O 3.22Å; E108-F186 HydrophobicContact CB-CD1 4.07Å; E108-F186 HydrophobicContact CB-CE1 4.1Å; E108-F186 WeakPolarHBondContact O-CA 3.33Å; E108-L187 PolarHBondContact O-N 3.45Å
109	L	98.9	Very high	97	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	138.9	174.6	-68.2	168.4	0	0	0	110.2	S81 L84 F107 M130 L133 L187 I189	S81-L109 PolarHBondContact N-O 2.54Å; S81-L109 PolarHBondContact OG-N 2.94Å; S81-L109 PolarHBondContact OG-O 2.87Å; L84-L109 HydrophobicContact CD1-CB 4.47Å; L84-L109 HydrophobicContact CD1-CD1 3.78Å; L84-L109 HydrophobicContact CD1-CG 3.64Å; F107-L109 HydrophobicContact CD2-CD2 4.5Å; F107-L109 HydrophobicContact CE2-CD2 3.97Å; F107-L109 HydrophobicContact CE2-CG 4.21Å; L109-M130 HydrophobicContact CB-CE 3.67Å; L109-M130 WeakPolarHBondContact O-CE 3.18Å; L109-L133 HydrophobicContact CD1-CB 3.83Å; L109-L133 HydrophobicContact CD1-CD1 4.21Å; L109-L187 CarbonylContact C-O 3.39Å; L109-L187 WeakPolarHBondContact CA-O 3.4Å; L109-I189 HydrophobicContact CB-CD1 4.28Å; L109-I189 HydrophobicContact CD1-CD1 4.38Å; L109-I189 HydrophobicContact CD2-CD1 4.17Å; L109-I189 HydrophobicContact CD2-CG1 4.08Å
110	T	98.9	Very high	97.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	159.5	163.8	75.4	0	0	0	0	110.8	Y79 V80 D171 M174 F186 L187 Q188 I189	Y79-T110 CarbonylContact O-C 3.51Å; Y79-T110 WeakPolarHBondContact O-CA 3.26Å; Y79-T110 WeakPolarHBondContact O-CB 3.11Å; V80-T110 HydrophobicContact CG2-CG2 4.36Å; T110-D171 HydrophobicContact CG2-CB 4.45Å; T110-D171 PolarHBondContact OG1-OD2 3.24Å; T110-M174 HydrophobicContact CG2-SD 3.9Å; T110-F186 HydrophobicContact CG2-CB 4.02Å; T110-F186 HydrophobicContact CG2-CD1 3.99Å; T110-F186 HydrophobicContact CG2-CG 4.44Å; T110-L187 PolarHBondContact N-O 2.72Å; T110-Q188 CarbonylContact O-C 3.57Å; T110-Q188 WeakPolarHBondContact O-CA 3.4Å; T110-Q188 VanDerWaalsContact OG1-CA 3.23Å; T110-Q188 WeakPolarHBondContact OG1-CA 3.47Å; T110-Q188 VanDerWaalsContact OG1-CB 3.31Å; T110-Q188 WeakPolarHBondContact OG1-CB 3.46Å; T110-I189 PolarHBondContact O-N 3.07Å
111	F	98.9	Very high	97.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	142.2	173.8	-178.6	-123.9	0	0	0	109.9	H78 Y79 L113 W125 P126 M130 I189 T225	H78-F111 CarbonylContact C-O 3.59Å; H78-F111 WeakPolarHBondContact CA-O 3.31Å; H78-F111 PolarHBondContact CD2-O 2.88Å; Y79-F111 HydrophobicContact CD2-CB 4.06Å; Y79-F111 AromaticContact CD2-CD1 3.69Å; Y79-F111 HydrophobicContact CD2-CD1 3.69Å; Y79-F111 HydrophobicContact CD2-CG 4.31Å; Y79-F111 WeakPolarHBondContact CD2-O 3.2Å; Y79-F111 AromaticContact CE2-CD1 3.97Å; Y79-F111 HydrophobicContact CE2-CD1 3.97Å; Y79-F111 HydrophobicContact CG-CB 4.44Å; Y79-F111 HydrophobicContact CG-CD1 4.49Å; Y79-F111 PolarHBondContact N-O 2.87Å; Y79-F111 PolarHBondContact O-N 2.86Å; F111-L113 HydrophobicContact CD1-CB 4.21Å; F111-L113 HydrophobicContact CE1-CB 3.72Å; F111-L113 HydrophobicContact CE1-CD1 4.17Å; F111-L113 HydrophobicContact CE1-CG 4.36Å; F111-L113 HydrophobicContact CZ-CB 4.38Å; F111-L113 HydrophobicContact CZ-CD1 4.29Å; F111-W125 AromaticContact CE1-CH2 3.78Å; F111-W125 HydrophobicContact CE1-CH2 3.78Å; F111-W125 HydrophobicContact CE1-CZ2 4.24Å; F111-W125 HydrophobicContact CE1-CZ3 4.49Å; F111-W125 AromaticContact CZ-CH2 3.97Å; F111-W125 HydrophobicContact CZ-CH2 3.97Å; F111-P126 HydrophobicContact CD1-CB 3.69Å; F111-P126 HydrophobicContact CD1-CG 4.07Å; F111-P126 HydrophobicContact CE1-CB 4Å; F111-P126 HydrophobicContact CE1-CG 3.98Å; F111-M130 HydrophobicContact CB-SD 4.5Å; F111-I189 HydrophobicContact CB-CB 4.48Å; F111-I189 HydrophobicContact CD2-CB 3.84Å; F111-I189 HydrophobicContact CD2-CG2 3.93Å; F111-I189 WeakPolarHBondContact CD2-O 3.46Å; F111-I189 HydrophobicContact CE2-CG2 4.25Å; F111-T225 HydrophobicContact CE2-CG2 4.08Å; F111-T225 WeakPolarHBondContact CE2-OG1 3.15Å; F111-T225 HydrophobicContact CZ-CG2 4.02Å
112	R	98.9	Very high	97.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	111	175.6	-67.3	-178.4	-169.1	-91	-4.6	109.3	N65 H76 W77 D171 I224 T225	N65-R112 PolarHBondContact ND2-NH1 3.19Å; H76-R112 PolarHBondContact NE2-NH1 3.29Å; W77-R112 WeakPolarHBondContact O-CA 3.32Å; R112-D171 IonicContact CZ-OD1 2.8Å; R112-D171 IonicContact CZ-OD2 2.68Å; R112-D171 IonicContact NE-OD2 2.84Å; R112-D171 VanDerWaalsContact NH2-CG 3.32Å; R112-D171 IonicContact NH2-OD1 3Å; R112-D171 PolarHBondContact NH2-OD1 3.3Å; R112-D171 IonicContact NH2-OD2 3.78Å; R112-D171 PolarHBondContact NH2-OD2 3.23Å; R112-I224 HydrophobicContact CB-CB 4.48Å; R112-I224 HydrophobicContact CB-CG1 4.16Å; R112-T225 WeakPolarHBondContact O-CB 3.36Å; R112-T225 PolarHBondContact O-N 3.1Å
113	L	98.9	Very high	97.6	Very high	10 Å²	10	33.3 Å²	33.3	5%	0.052	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	122.2	178.3	-178.7	62	0	0	0	109.4	H76 W77 Y79 F111 R115 P123 W125 P126 M227	H76-L113 CarbonylContact C-O 3.5Å; H76-L113 VanDerWaalsContact CA-O 3.31Å; H76-L113 WeakPolarHBondContact CA-O 3.44Å; H76-L113 WeakPolarHBondContact CB-O 3.39Å; W77-L113 HydrophobicContact CB-CB 4.47Å; W77-L113 PolarHBondContact N-O 2.85Å; W77-L113 PolarHBondContact O-N 2.85Å; Y79-L113 HydrophobicContact CE2-CB 3.82Å; F111-L113 HydrophobicContact CD1-CB 4.21Å; F111-L113 HydrophobicContact CE1-CB 3.72Å; F111-L113 HydrophobicContact CE1-CD1 4.17Å; F111-L113 HydrophobicContact CE1-CG 4.36Å; F111-L113 HydrophobicContact CZ-CB 4.38Å; F111-L113 HydrophobicContact CZ-CD1 4.29Å; L113-R115 PolarHBondContact O-N 2.8Å; L113-P123 HydrophobicContact CD2-CG 3.52Å; L113-W125 HydrophobicContact CD1-CZ2 3.87Å; L113-W125 HydrophobicContact CD2-CZ2 3.72Å; L113-W125 HydrophobicContact CG-CZ2 4.43Å; L113-P126 HydrophobicContact CD2-CG 4.18Å; L113-M227 HydrophobicContact CD1-CG 3.74Å
114	K	98.6	Very high	97.5	Very high	53 Å²	53	37.2 Å²	37.2	23%	0.23	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.2	132.6	173.2	-178.3	-175.8	172.7	-177.2	0	110.1	Q74 I224 T225 D226	Q74-K114 HydrophobicContact CG-CG 4.5Å; Q74-K114 VanDerWaalsContact OE1-CE 3.27Å; K114-I224 HydrophobicContact CB-CG2 3.87Å; K114-T225 PolarHBondContact N-O 3.34Å; K114-D226 HydrophobicContact CB-CB 4.26Å; K114-D226 HydrophobicContact CD-CB 3.86Å; K114-D226 VanDerWaalsContact CD-CG 3.43Å; K114-D226 WeakPolarHBondContact CD-OD2 3.09Å; K114-D226 IonicContact NZ-OD2 2.71Å; K114-D226 PolarHBondContact NZ-OD2 3.2Å
115	R	98.1	Very high	97.6	Very high	57 Å²	57	38.8 Å²	38.8	22%	0.215	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-78.6	130.6	177.6	176.6	179	169.4	-95.1	-11.9	109.6	E75 W77 L113 E119	E75-R115 HydrophobicContact CG-CB 4.32Å; E75-R115 PolarHBondContact O-N 2.82Å; E75-R115 IonicContact OE1-NH1 3.62Å; E75-R115 IonicContact OE2-CZ 2.72Å; E75-R115 IonicContact OE2-NE 3.93Å; E75-R115 IonicContact OE2-NH1 3.99Å; E75-R115 PolarHBondContact OE2-NH1 2.86Å; W77-R115 HydrophobicContact CZ2-CG 3.98Å; L113-R115 PolarHBondContact O-N 2.8Å; R115-E119 HydrophobicContact CG-CB 4.18Å; R115-E119 VanDerWaalsContact CZ-O 3.28Å; R115-E119 PolarHBondContact NE-O 3.16Å; R115-E119 PolarHBondContact NH2-O 3.04Å
116	E	96.9	Very high	97.7	Very high	64 Å²	64	37.1 Å²	37.1	30%	0.299	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-84.8	155.2	176.2	-65.9	-60.5	158.9	0	0	112.5	G118 E119 R228	E116-G118 PolarHBondContact O-N 2.83Å; E116-E119 HydrophobicContact CB-CG 3.92Å; E116-E119 PolarHBondContact N-OE2 2.92Å; E116-E119 PolarHBondContact O-N 3.3Å; E116-E119 VanDerWaalsContact O-N 3.16Å; E116-R228 VanDerWaalsContact OE1-CG 3.29Å; E116-R228 WeakPolarHBondContact OE1-CG 3.5Å
117	A	94.3	Very high	97.7	Very high	103 Å²	103	37 Å²	37	85%	0.851	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	124.9	178.7	0	0	0	0	0	110.8
118	G	94.1	Very high	97.7	Very high	67 Å²	67	41.8 Å²	41.8	69%	0.691	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.1	-6.2	-179.8	0	0	0	0	0	115	E116 T120	E116-G118 PolarHBondContact O-N 2.83Å; G118-T120 PolarHBondContact O-N 3.34Å
119	E	95.7	Very high	97.6	Very high	48 Å²	48	42.1 Å²	42.1	22%	0.224	26%	0.256	C	S	.	.			trans	-69	120.5	174.9	-70.9	-173.2	142.2	0	0	111.2	W77 R115 E116	W77-E119 HydrophobicContact CZ2-CB 4.05Å; W77-E119 PolarHBondContact NE1-OE2 2.99Å; R115-E119 HydrophobicContact CG-CB 4.18Å; R115-E119 VanDerWaalsContact CZ-O 3.28Å; R115-E119 PolarHBondContact NE-O 3.16Å; R115-E119 PolarHBondContact NH2-O 3.04Å; E116-E119 HydrophobicContact CB-CG 3.92Å; E116-E119 PolarHBondContact N-OE2 2.92Å; E116-E119 PolarHBondContact O-N 3.3Å; E116-E119 VanDerWaalsContact O-N 3.16Å
120	T	95.1	Very high	97.6	Very high	132 Å²	132	42.1 Å²	42.1	81%	0.81	26%	0.256	S	S	*	.			trans	-98.7	-15.5	177.2	55.6	0	0	0	0	113.2	G118	G118-T120 PolarHBondContact O-N 3.34Å
121	A	97	Very high	97.6	Very high	52 Å²	52	42.6 Å²	42.6	43%	0.43	26%	0.258	S	S	.	.	S	Bend	trans	-141.8	152.2	-179.9	0	0	0	0	0	109.7	W77	W77-A121 VanDerWaalsContact CZ2-C 3.46Å; W77-A121 WeakPolarHBondContact CZ2-O 3.38Å
122	P	97.9	Very high	97.4	Very high	15 Å²	15	42.9 Å²	42.9	10%	0.097	26%	0.261	C	S	.	.			trans	-66.9	137.2	177.5	23.5	-27.9	0	0	0	110.7	L41 M62 W77 Y79	L41-P122 HydrophobicContact CB-CG 4.28Å; L41-P122 HydrophobicContact CD2-CG 3.99Å; M62-P122 HydrophobicContact CB-CB 3.91Å; M62-P122 HydrophobicContact CB-CG 3.47Å; M62-P122 VanDerWaalsContact CB-CG 3.47Å; M62-P122 HydrophobicContact CG-CG 4.32Å; M62-P122 HydrophobicContact SD-CB 4.19Å; M62-P122 HydrophobicContact SD-CG 3.97Å; W77-P122 HydrophobicContact CB-CB 4.2Å; W77-P122 HydrophobicContact CD2-CB 3.6Å; W77-P122 HydrophobicContact CD2-CG 4.5Å; W77-P122 HydrophobicContact CE3-CB 3.59Å; W77-P122 HydrophobicContact CE3-CG 4.04Å; W77-P122 HydrophobicContact CG-CB 3.86Å; W77-P122 HydrophobicContact CZ3-CB 4.16Å; W77-P122 HydrophobicContact CZ3-CG 4.21Å; Y79-P122 HydrophobicContact CE1-CB 4.41Å
123	P	98.1	Very high	97.1	Very high	28 Å²	28	43 Å²	43	18%	0.182	26%	0.262	C	S	.	.			trans	-65.1	148.1	171	28.1	-34.7	0	0	0	110.9	Y79 L113 P126	Y79-P123 WeakPolarHBondContact CE1-O 3.4Å; Y79-P123 WeakPolarHBondContact OH-CD 3.42Å; Y79-P123 WeakPolarHBondContact OH-CG 3.45Å; Y79-P123 PolarHBondContact OH-O 3.11Å; Y79-P123 VanDerWaalsContact OH-O 3.07Å; L113-P123 HydrophobicContact CD2-CG 3.52Å; P123-P126 WeakPolarHBondContact O-CD 3.32Å
124	T	98.2	Very high	97	Very high	82 Å²	82	42.5 Å²	42.5	50%	0.503	26%	0.259	S	S	.	.	S	Bend	trans	-94	-10.5	-174.1	57.4	0	0	0	0	114.2	V43 M62 P126 A127	V43-T124 HydrophobicContact CG2-CG2 4.34Å; M62-T124 HydrophobicContact CE-CG2 4.24Å; M62-T124 HydrophobicContact SD-CG2 4.4Å; T124-P126 VanDerWaalsContact C-N 3.3Å; T124-A127 WeakPolarHBondContact O-CB 3.22Å; T124-A127 PolarHBondContact O-N 3.44Å
125	W	98.5	Very high	96.9	Very high	56 Å²	56	43.6 Å²	43.6	21%	0.212	26%	0.262	C	S	.	.	H	α-helix	trans	-57.5	-31.4	-179.4	72.5	-101.3	0	0	0	114.3	F111 L113 A127 E128 L129 L156 D157 M227	F111-W125 AromaticContact CE1-CH2 3.78Å; F111-W125 HydrophobicContact CE1-CH2 3.78Å; F111-W125 HydrophobicContact CE1-CZ2 4.24Å; F111-W125 HydrophobicContact CE1-CZ3 4.49Å; F111-W125 AromaticContact CZ-CH2 3.97Å; F111-W125 HydrophobicContact CZ-CH2 3.97Å; L113-W125 HydrophobicContact CD1-CZ2 3.87Å; L113-W125 HydrophobicContact CD2-CZ2 3.72Å; L113-W125 HydrophobicContact CG-CZ2 4.43Å; W125-A127 PolarHBondContact O-N 3.14Å; W125-E128 PolarHBondContact O-N 3.16Å; W125-E128 VanDerWaalsContact O-N 3.08Å; W125-L129 HydrophobicContact CZ3-CB 4.44Å; W125-L129 HydrophobicContact CZ3-CD2 4.08Å; W125-L129 PolarHBondContact O-N 3.11Å; W125-L156 VanDerWaalsContact CE3-O 3.25Å; W125-L156 HydrophobicContact CH2-CB 4.2Å; W125-L156 VanDerWaalsContact CZ3-C 3.5Å; W125-L156 HydrophobicContact CZ3-CB 3.93Å; W125-L156 WeakPolarHBondContact CZ3-O 3.42Å; W125-D157 HydrophobicContact CD2-CB 3.55Å; W125-D157 VanDerWaalsContact CE2-CB 3.43Å; W125-D157 HydrophobicContact CE3-CB 3.82Å; W125-D157 HydrophobicContact CG-CB 4.14Å; W125-D157 HydrophobicContact CH2-CB 3.91Å; W125-D157 HydrophobicContact CZ2-CB 3.64Å; W125-D157 HydrophobicContact CZ3-CB 3.99Å; W125-M227 HydrophobicContact CH2-CG 4.1Å; W125-M227 HydrophobicContact CH2-SD 4.13Å; W125-M227 HydrophobicContact CZ2-CG 3.88Å
126	P	98.8	Very high	96.3	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-64.8	-23.6	177.1	-24.9	38.5	0	0	0	112.9	Y79 F111 L113 P123 T124 E128 L129 M130	Y79-P126 HydrophobicContact CD1-CB 3.96Å; Y79-P126 HydrophobicContact CD1-CG 4.38Å; Y79-P126 HydrophobicContact CD2-CB 4.25Å; Y79-P126 HydrophobicContact CE1-CB 3.88Å; Y79-P126 HydrophobicContact CE1-CG 3.8Å; Y79-P126 HydrophobicContact CE2-CB 4.19Å; Y79-P126 HydrophobicContact CE2-CG 3.95Å; Y79-P126 HydrophobicContact CG-CB 4.18Å; F111-P126 HydrophobicContact CD1-CB 3.69Å; F111-P126 HydrophobicContact CD1-CG 4.07Å; F111-P126 HydrophobicContact CE1-CB 4Å; F111-P126 HydrophobicContact CE1-CG 3.98Å; L113-P126 HydrophobicContact CD2-CG 4.18Å; P123-P126 WeakPolarHBondContact O-CD 3.32Å; T124-P126 VanDerWaalsContact C-N 3.3Å; P126-E128 VanDerWaalsContact C-N 3.32Å; P126-E128 PolarHBondContact O-N 3.33Å; P126-L129 PolarHBondContact O-N 2.84Å; P126-M130 WeakPolarHBondContact O-CB 3.39Å; P126-M130 WeakPolarHBondContact O-CG 3.45Å; P126-M130 PolarHBondContact O-N 3.18Å
127	A	98.5	Very high	96	Very high	6 Å²	6	43.1 Å²	43.1	5%	0.05	26%	0.258	C	S	.	.	H	α-helix	trans	-60.3	-44.2	173.5	0	0	0	0	0	111.1	V43 I60 M62 T124 W125 M130 Q131	V43-A127 HydrophobicContact CB-CB 4.23Å; V43-A127 HydrophobicContact CG1-CB 4.18Å; V43-A127 HydrophobicContact CG2-CB 4.18Å; I60-A127 HydrophobicContact CD1-CB 3.73Å; I60-A127 WeakPolarHBondContact CD1-O 3.43Å; I60-A127 HydrophobicContact CG2-CB 4.44Å; M62-A127 HydrophobicContact CE-CB 4Å; T124-A127 WeakPolarHBondContact O-CB 3.22Å; T124-A127 PolarHBondContact O-N 3.44Å; W125-A127 PolarHBondContact O-N 3.14Å; A127-M130 PolarHBondContact O-N 3.15Å; A127-Q131 VanDerWaalsContact O-CG 3.3Å; A127-Q131 WeakPolarHBondContact O-CG 3.33Å; A127-Q131 PolarHBondContact O-N 3.17Å
128	E	98.1	Very high	95.8	Very high	104 Å²	104	39.7 Å²	39.7	49%	0.486	22%	0.224	S	C	.	.	H	α-helix	trans	-66.2	-40.5	178	-176.4	57.2	-144.7	0	0	111.8	W125 P126 M130 Q131 G132 R135	W125-E128 PolarHBondContact O-N 3.16Å; W125-E128 VanDerWaalsContact O-N 3.08Å; P126-E128 VanDerWaalsContact C-N 3.32Å; P126-E128 PolarHBondContact O-N 3.33Å; E128-M130 PolarHBondContact O-N 3.29Å; E128-Q131 PolarHBondContact O-N 3.31Å; E128-G132 PolarHBondContact O-N 3.23Å; E128-R135 IonicContact OE1-NH2 3.73Å; E128-R135 PolarHBondContact OE1-NH2 3.21Å
129	L	98.2	Very high	95.3	Very high	8 Å²	8	43.9 Å²	43.9	4%	0.042	23%	0.226	C	C	.	.	H	α-helix	trans	-57.4	-49.1	173.6	177.4	70.6	0	0	0	111.1	W125 P126 Q131 G132 L133 W152 L156 M166	W125-L129 HydrophobicContact CZ3-CB 4.44Å; W125-L129 HydrophobicContact CZ3-CD2 4.08Å; W125-L129 PolarHBondContact O-N 3.11Å; P126-L129 PolarHBondContact O-N 2.84Å; L129-Q131 PolarHBondContact O-N 2.7Å; L129-G132 WeakPolarHBondContact O-CA 3.14Å; L129-G132 PolarHBondContact O-N 2.86Å; L129-G132 VanDerWaalsContact O-N 3.11Å; L129-L133 PolarHBondContact O-N 3.22Å; L129-W152 HydrophobicContact CD1-CD2 4.41Å; L129-W152 HydrophobicContact CD1-CH2 4.3Å; L129-W152 HydrophobicContact CD1-CZ2 3.76Å; L129-L156 HydrophobicContact CD1-CD2 4.24Å; L129-L156 HydrophobicContact CD2-CB 4.23Å; L129-L156 HydrophobicContact CD2-CD1 4.32Å; L129-M166 HydrophobicContact CD1-CE 4.04Å; L129-M166 HydrophobicContact CD1-SD 3.91Å; L129-M166 HydrophobicContact CD2-SD 4.05Å; L129-M166 HydrophobicContact CG-SD 4.22Å
130	M	98.8	Very high	94.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-65	-37.6	179.9	-67	170.8	84.8	0	0	111.8	L57 I60 L109 F111 P126 A127 E128 G132 L133 A134 I189	L57-M130 HydrophobicContact CD1-CB 3.77Å; L57-M130 WeakPolarHBondContact CD1-O 3.14Å; I60-M130 HydrophobicContact CD1-CB 4.15Å; I60-M130 HydrophobicContact CG2-SD 3.95Å; L109-M130 HydrophobicContact CB-CE 3.67Å; L109-M130 WeakPolarHBondContact O-CE 3.18Å; F111-M130 HydrophobicContact CB-SD 4.5Å; P126-M130 WeakPolarHBondContact O-CB 3.39Å; P126-M130 WeakPolarHBondContact O-CG 3.45Å; P126-M130 PolarHBondContact O-N 3.18Å; A127-M130 PolarHBondContact O-N 3.15Å; E128-M130 PolarHBondContact O-N 3.29Å; M130-G132 VanDerWaalsContact C-N 3.31Å; M130-G132 PolarHBondContact O-N 3.39Å; M130-L133 PolarHBondContact O-N 3.28Å; M130-A134 WeakPolarHBondContact O-CB 3.43Å; M130-A134 PolarHBondContact O-N 3.18Å; M130-I189 HydrophobicContact CG-CD1 3.92Å
131	Q	98	Very high	93.9	Very high	9 Å²	9	44.8 Å²	44.8	4%	0.042	23%	0.225	C	C	.	.	H	α-helix	trans	-61.9	-40.3	171.1	-68	-66.8	10	0	0	111.5	D55 L57 I60 A127 E128 L129 A134 R135	D55-Q131 HydrophobicContact CB-CG 4.45Å; L57-Q131 VanDerWaalsContact CB-OE1 3.31Å; L57-Q131 PolarHBondContact O-NE2 3.45Å; I60-Q131 HydrophobicContact CD1-CG 4.34Å; A127-Q131 VanDerWaalsContact O-CG 3.3Å; A127-Q131 WeakPolarHBondContact O-CG 3.33Å; A127-Q131 PolarHBondContact O-N 3.17Å; E128-Q131 PolarHBondContact O-N 3.31Å; L129-Q131 PolarHBondContact O-N 2.7Å; Q131-A134 PolarHBondContact O-N 2.54Å; Q131-R135 WeakPolarHBondContact O-CB 3.38Å; Q131-R135 WeakPolarHBondContact O-CG 3.44Å; Q131-R135 PolarHBondContact O-N 3.09Å
132	G	94.3	Very high	92.9	Very high	7 Å²	7	45.9 Å²	45.9	7%	0.072	22%	0.224	C	C	.	.	H	α-helix	trans	-58	-47.9	175.2	0	0	0	0	0	113.3	E128 L129 M130 R135 Y136	E128-G132 PolarHBondContact O-N 3.23Å; L129-G132 WeakPolarHBondContact O-CA 3.14Å; L129-G132 PolarHBondContact O-N 2.86Å; L129-G132 VanDerWaalsContact O-N 3.11Å; M130-G132 VanDerWaalsContact C-N 3.31Å; M130-G132 PolarHBondContact O-N 3.39Å; G132-R135 PolarHBondContact O-N 2.93Å; G132-Y136 PolarHBondContact O-N 3.43Å
133	L	93.9	Very high	92.3	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-64.6	-43.5	174.7	-74.5	174.3	0	0	0	112.2	L109 L129 M130 R135 Y136 V137 V150 W152 M166 I189	L109-L133 HydrophobicContact CD1-CB 3.83Å; L109-L133 HydrophobicContact CD1-CD1 4.21Å; L129-L133 PolarHBondContact O-N 3.22Å; M130-L133 PolarHBondContact O-N 3.28Å; L133-R135 VanDerWaalsContact C-N 3.32Å; L133-R135 PolarHBondContact O-N 3.33Å; L133-Y136 WeakPolarHBondContact O-CB 3.42Å; L133-Y136 PolarHBondContact O-N 3.15Å; L133-Y136 VanDerWaalsContact O-N 3.14Å; L133-V137 WeakPolarHBondContact O-CG2 3.32Å; L133-V137 PolarHBondContact O-N 2.82Å; L133-V150 HydrophobicContact CD2-CB 4.38Å; L133-V150 HydrophobicContact CD2-CG1 3.87Å; L133-V150 HydrophobicContact CD2-CG2 4.08Å; L133-W152 HydrophobicContact CD2-CZ3 4.3Å; L133-M166 HydrophobicContact CD1-CE 4.3Å; L133-M166 HydrophobicContact CD1-SD 3.77Å; L133-M166 HydrophobicContact CD2-CE 3.83Å; L133-M166 HydrophobicContact CD2-SD 4.37Å; L133-M166 HydrophobicContact CG-CE 4.24Å; L133-M166 HydrophobicContact CG-SD 4.34Å; L133-I189 HydrophobicContact CD1-CD1 3.43Å; L133-I189 VanDerWaalsContact CD1-CD1 3.43Å; L133-I189 HydrophobicContact CD1-CG1 3.83Å
134	A	96.4	Very high	91.9	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-60.5	-43.7	177.3	0	0	0	0	0	111.1	P56 L57 L84 M130 Q131 Y136 V137 F138	P56-A134 HydrophobicContact CB-CB 4.18Å; P56-A134 HydrophobicContact CG-CB 4.24Å; L57-A134 HydrophobicContact CD1-CB 4.01Å; L57-A134 HydrophobicContact CD2-CB 3.67Å; L57-A134 HydrophobicContact CG-CB 3.61Å; L84-A134 HydrophobicContact CD2-CB 4.24Å; L84-A134 HydrophobicContact CG-CB 4.42Å; M130-A134 WeakPolarHBondContact O-CB 3.43Å; M130-A134 PolarHBondContact O-N 3.18Å; Q131-A134 PolarHBondContact O-N 2.54Å; A134-Y136 VanDerWaalsContact C-N 3.27Å; A134-Y136 PolarHBondContact O-N 3.47Å; A134-V137 PolarHBondContact O-N 3.34Å; A134-V137 VanDerWaalsContact O-N 3.11Å; A134-F138 VanDerWaalsContact O-CD2 3.3Å; A134-F138 WeakPolarHBondContact O-CD2 3.45Å; A134-F138 PolarHBondContact O-N 3.28Å
135	R	96.1	Very high	91.5	Very high	76 Å²	76	48.3 Å²	48.3	29%	0.287	24%	0.238	S	C	.	.	H	α-helix	trans	-55.3	-42.5	174.2	-78	-176.3	-97.1	112.3	-8.2	112	P54 P56 E128 Q131 G132 L133 F138 Q139	P54-R135 WeakPolarHBondContact O-CD 3.41Å; P56-R135 HydrophobicContact CG-CG 3.83Å; E128-R135 IonicContact OE1-NH2 3.73Å; E128-R135 PolarHBondContact OE1-NH2 3.21Å; Q131-R135 WeakPolarHBondContact O-CB 3.38Å; Q131-R135 WeakPolarHBondContact O-CG 3.44Å; Q131-R135 PolarHBondContact O-N 3.09Å; G132-R135 PolarHBondContact O-N 2.93Å; L133-R135 VanDerWaalsContact C-N 3.32Å; L133-R135 PolarHBondContact O-N 3.33Å; R135-F138 PolarHBondContact O-N 3Å; R135-Q139 WeakPolarHBondContact O-CB 3.3Å; R135-Q139 WeakPolarHBondContact O-CG 3.39Å; R135-Q139 PolarHBondContact O-N 3.08Å
136	Y	86.4	Confident	91.3	Very high	112 Å²	112	47.2 Å²	47.2	44%	0.439	24%	0.239	S	C	.	.	H	α-helix	trans	-62.2	-44.9	175.9	172.5	-93	0	0	0	112.5	G132 L133 A134 Q139 S140 F144	G132-Y136 PolarHBondContact O-N 3.43Å; L133-Y136 WeakPolarHBondContact O-CB 3.42Å; L133-Y136 PolarHBondContact O-N 3.15Å; L133-Y136 VanDerWaalsContact O-N 3.14Å; A134-Y136 VanDerWaalsContact C-N 3.27Å; A134-Y136 PolarHBondContact O-N 3.47Å; Y136-Q139 PolarHBondContact O-N 2.91Å; Y136-S140 WeakPolarHBondContact O-CB 3.25Å; Y136-S140 PolarHBondContact O-N 3.24Å; Y136-S140 PolarHBondContact O-OG 3.19Å; Y136-F144 HydrophobicContact CD1-CE1 4.45Å; Y136-F144 HydrophobicContact CD1-CE2 4.28Å; Y136-F144 AromaticContact CD1-CZ 3.65Å; Y136-F144 HydrophobicContact CD1-CZ 3.65Å; Y136-F144 HydrophobicContact CE1-CE1 4.05Å; Y136-F144 AromaticContact CE1-CZ 3.7Å; Y136-F144 HydrophobicContact CE1-CZ 3.7Å
137	V	90	Very high	90.9	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.5	-47.5	178.1	175.8	0	0	0	0	110.7	L84 F105 F107 L133 A134 Q139 S140 E141 F144	L84-V137 HydrophobicContact CD2-CB 3.99Å; L84-V137 HydrophobicContact CD2-CG1 3.84Å; L84-V137 HydrophobicContact CD2-CG2 4.42Å; F105-V137 HydrophobicContact CB-CG1 4.4Å; F105-V137 HydrophobicContact CD1-CG1 3.66Å; F105-V137 HydrophobicContact CD2-CG1 3.75Å; F105-V137 HydrophobicContact CE1-CG1 3.76Å; F105-V137 HydrophobicContact CE2-CG1 3.85Å; F105-V137 HydrophobicContact CG-CG1 3.66Å; F105-V137 HydrophobicContact CZ-CG1 3.86Å; F107-V137 HydrophobicContact CZ-CG1 4.48Å; F107-V137 HydrophobicContact CZ-CG2 4.24Å; L133-V137 WeakPolarHBondContact O-CG2 3.32Å; L133-V137 PolarHBondContact O-N 2.82Å; A134-V137 PolarHBondContact O-N 3.34Å; A134-V137 VanDerWaalsContact O-N 3.11Å; V137-Q139 VanDerWaalsContact C-N 3.34Å; V137-Q139 PolarHBondContact O-N 3.01Å; V137-S140 PolarHBondContact O-N 3.13Å; V137-E141 WeakPolarHBondContact O-CA 2.93Å; V137-E141 PolarHBondContact O-N 3.36Å; V137-F144 HydrophobicContact CG2-CD2 3.68Å; V137-F144 HydrophobicContact CG2-CE2 3.39Å; V137-F144 HydrophobicContact CG2-CZ 4.29Å
138	F	90.9	Very high	90.4	Very high	30 Å²	30	50.1 Å²	50.1	13%	0.132	26%	0.257	C	S	.	.	H	α-helix	trans	-65.2	-32.3	178.4	-86.6	-91.1	0	0	0	113.7	Y49 P56 L84 V93 H94 F105 A134 R135	Y49-F138 HydrophobicContact CD1-CE1 4.36Å; Y49-F138 AromaticContact CE1-CD1 3.79Å; Y49-F138 HydrophobicContact CE1-CD1 3.79Å; Y49-F138 AromaticContact CE1-CE1 3.96Å; Y49-F138 HydrophobicContact CE1-CE1 3.96Å; Y49-F138 HydrophobicContact CE1-CG 4.49Å; P56-F138 HydrophobicContact CB-CD2 3.46Å; P56-F138 VanDerWaalsContact CB-CD2 3.46Å; P56-F138 HydrophobicContact CB-CE2 3.41Å; P56-F138 VanDerWaalsContact CB-CE2 3.41Å; P56-F138 HydrophobicContact CB-CG 4.13Å; P56-F138 HydrophobicContact CB-CZ 4.05Å; P56-F138 HydrophobicContact CG-CD2 3.96Å; P56-F138 HydrophobicContact CG-CE2 4.39Å; P56-F138 HydrophobicContact CG-CG 4.38Å; L84-F138 HydrophobicContact CD2-CD2 4.17Å; L84-F138 HydrophobicContact CD2-CE2 3.87Å; V93-F138 HydrophobicContact CG1-CE1 3.52Å; V93-F138 HydrophobicContact CG1-CZ 3.86Å; H94-F138 AromaticContact CE1-CE1 3.86Å; H94-F138 AromaticContact CE1-CZ 3.53Å; H94-F138 AromaticContact NE2-CZ 3.79Å; F105-F138 HydrophobicContact CD2-CE2 4.24Å; F105-F138 HydrophobicContact CD2-CZ 4.36Å; F105-F138 AromaticContact CE2-CD1 3.88Å; F105-F138 HydrophobicContact CE2-CD1 3.88Å; F105-F138 AromaticContact CE2-CD2 3.79Å; F105-F138 HydrophobicContact CE2-CD2 3.79Å; F105-F138 AromaticContact CE2-CE1 3.81Å; F105-F138 HydrophobicContact CE2-CE1 3.81Å; F105-F138 AromaticContact CE2-CE2 3.75Å; F105-F138 HydrophobicContact CE2-CE2 3.75Å; F105-F138 AromaticContact CE2-CG 3.88Å; F105-F138 HydrophobicContact CE2-CG 3.88Å; F105-F138 AromaticContact CE2-CZ 3.77Å; F105-F138 HydrophobicContact CE2-CZ 3.77Å; F105-F138 HydrophobicContact CZ-CD1 4.29Å; F105-F138 HydrophobicContact CZ-CG 4.32Å; A134-F138 VanDerWaalsContact O-CD2 3.3Å; A134-F138 WeakPolarHBondContact O-CD2 3.45Å; A134-F138 PolarHBondContact O-N 3.28Å; R135-F138 PolarHBondContact O-N 3Å
139	Q	83.3	Confident	90.1	Very high	155 Å²	155	48.9 Å²	48.9	72%	0.724	25%	0.251	S	S	*	.	H	α-helix	trans	-80.8	-34.8	179.9	-74.4	170.6	9.3	0	0	113.3	R135 Y136 V137	R135-Q139 WeakPolarHBondContact O-CB 3.3Å; R135-Q139 WeakPolarHBondContact O-CG 3.39Å; R135-Q139 PolarHBondContact O-N 3.08Å; Y136-Q139 PolarHBondContact O-N 2.91Å; V137-Q139 VanDerWaalsContact C-N 3.34Å; V137-Q139 PolarHBondContact O-N 3.01Å
140	S	76.9	Confident	89.7	Confident	39 Å²	39	49.5 Å²	49.5	27%	0.273	26%	0.255	S	S	.	.	H	α-helix	trans	-94.7	-17.5	-175.7	66.5	0	0	0	0	113.5	Y136 V137 N142	Y136-S140 WeakPolarHBondContact O-CB 3.25Å; Y136-S140 PolarHBondContact O-N 3.24Å; Y136-S140 PolarHBondContact O-OG 3.19Å; V137-S140 PolarHBondContact O-N 3.13Å; S140-N142 PolarHBondContact O-N 2.91Å; S140-N142 PolarHBondContact OG-N 3.49Å
141	E	84.4	Confident	89.3	Confident	160 Å²	160	52 Å²	52	75%	0.748	27%	0.272	S	S	*	.			trans	56.6	13.6	-170.8	-60	179	-168.6	0	0	113.8	V137	V137-E141 WeakPolarHBondContact O-CA 2.93Å; V137-E141 PolarHBondContact O-N 3.36Å
142	N	76.3	Confident	89	Confident	76 Å²	76	55.5 Å²	55.5	41%	0.406	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-87.4	125.6	176.1	-66.8	-42.1	0	0	0	109.7	S140	S140-N142 PolarHBondContact O-N 2.91Å; S140-N142 PolarHBondContact OG-N 3.49Å
143	T	85.1	Confident	88.8	Confident	78 Å²	78	61.9 Å²	61.9	48%	0.479	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-80.1	150	172.2	52.5	0	0	0	0	110.9	F105	F105-T143 HydrophobicContact CB-CG2 4.34Å; F105-T143 HydrophobicContact CD1-CG2 3.96Å
144	F	88.6	Confident	88.7	Confident	23 Å²	23	63.9 Å²	63.9	10%	0.101	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-92.8	152.3	171.9	-70.8	-54.8	0	0	0	111.5	F107 Y136 V137 D148 V150 L168 L187	F107-F144 HydrophobicContact CE1-CB 4.42Å; F107-F144 HydrophobicContact CE2-CD2 4.32Å; F107-F144 HydrophobicContact CZ-CB 4.06Å; F107-F144 AromaticContact CZ-CD2 3.9Å; F107-F144 HydrophobicContact CZ-CD2 3.9Å; F107-F144 HydrophobicContact CZ-CG 4.43Å; Y136-F144 HydrophobicContact CD1-CE1 4.45Å; Y136-F144 HydrophobicContact CD1-CE2 4.28Å; Y136-F144 AromaticContact CD1-CZ 3.65Å; Y136-F144 HydrophobicContact CD1-CZ 3.65Å; Y136-F144 HydrophobicContact CE1-CE1 4.05Å; Y136-F144 AromaticContact CE1-CZ 3.7Å; Y136-F144 HydrophobicContact CE1-CZ 3.7Å; V137-F144 HydrophobicContact CG2-CD2 3.68Å; V137-F144 HydrophobicContact CG2-CE2 3.39Å; V137-F144 HydrophobicContact CG2-CZ 4.29Å; F144-D148 WeakPolarHBondContact CA-OD2 3.34Å; F144-D148 HydrophobicContact CD1-CB 4.31Å; F144-V150 HydrophobicContact CE1-CG2 3.91Å; F144-V150 HydrophobicContact CZ-CG2 3.84Å; F144-L168 HydrophobicContact CB-CD1 3.44Å; F144-L168 VanDerWaalsContact CB-CD1 3.44Å; F144-L168 HydrophobicContact CD1-CD1 3.54Å; F144-L168 HydrophobicContact CD2-CD1 3.6Å; F144-L168 HydrophobicContact CE1-CD1 4.12Å; F144-L168 HydrophobicContact CE2-CD1 4.18Å; F144-L168 HydrophobicContact CG-CD1 3.25Å; F144-L168 HydrophobicContact CZ-CD1 4.41Å; F144-L187 HydrophobicContact CB-CD1 3.78Å; F144-L187 WeakPolarHBondContact O-CD1 3.32Å
145	C	89.4	Confident	88.7	Confident	74 Å²	74	64.9 Å²	64.9	50%	0.5	33%	0.334	S	S	.	.			trans	-124.3	161.2	172.2	-66.5	0	0	0	0	111	G147 D148	C145-G147 PolarHBondContact O-N 3.23Å; C145-D148 PolarHBondContact N-OD2 2.91Å; C145-D148 VanDerWaalsContact O-CB 3.3Å; C145-D148 WeakPolarHBondContact O-CB 3.36Å; C145-D148 PolarHBondContact O-N 2.89Å; C145-D148 VanDerWaalsContact O-N 3.15Å
146	S	94.2	Very high	88.8	Confident	34 Å²	34	61.6 Å²	61.6	24%	0.238	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	129	169.8	-173.5	0	0	0	0	110.1	E170 Q206	S146-E170 PolarHBondContact OG-N 3.14Å; S146-Q206 PolarHBondContact O-NE2 3.48Å; S146-Q206 PolarHBondContact OG-NE2 2.77Å
147	G	90.4	Very high	89.3	Confident	13 Å²	13	57.5 Å²	57.5	13%	0.134	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	96.6	-5.5	-176	0	0	0	0	0	114	C145 L168 G205 Q206	C145-G147 PolarHBondContact O-N 3.23Å; G147-L168 PolarHBondContact N-O 3.32Å; G147-G205 WeakPolarHBondContact O-CA 3.24Å; G147-Q206 VanDerWaalsContact N-NE2 3.17Å
148	D	88.9	Confident	89.6	Confident	54 Å²	54	63.8 Å²	63.8	29%	0.289	34%	0.341	S	S	.	.			trans	-69.3	155.4	172.9	-73.2	-10.1	0	0	0	111.5	F144 C145 L167 L168	F144-D148 WeakPolarHBondContact CA-OD2 3.34Å; F144-D148 HydrophobicContact CD1-CB 4.31Å; C145-D148 PolarHBondContact N-OD2 2.91Å; C145-D148 VanDerWaalsContact O-CB 3.3Å; C145-D148 WeakPolarHBondContact O-CB 3.36Å; C145-D148 PolarHBondContact O-N 2.89Å; C145-D148 VanDerWaalsContact O-N 3.15Å; D148-L167 CarbonylContact O-C 3.45Å; D148-L167 WeakPolarHBondContact O-CA 3.27Å; D148-L168 HydrophobicContact CB-CD1 4.31Å; D148-L168 PolarHBondContact O-N 2.86Å
149	H	91.7	Very high	89.8	Confident	78 Å²	78	64.2 Å²	64.2	36%	0.361	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	150.5	176.7	64.7	-91.5	0	0	0	110.9	M166 L167 L197 Q201	H149-M166 CarbonylContact C-O 3.51Å; H149-M166 WeakPolarHBondContact CA-O 3.06Å; H149-L167 HydrophobicContact CB-CD2 3.48Å; H149-L167 VanDerWaalsContact CB-CD2 3.48Å; H149-L197 HydrophobicContact CB-CD1 3.6Å; H149-Q201 PolarHBondContact NE2-NE2 2.91Å
150	V	89.4	Confident	90.5	Very high	20 Å²	20	66 Å²	66	12%	0.121	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	111.8	174.8	-174.7	0	0	0	0	109.4	L133 F144 W152 M166 L168	L133-V150 HydrophobicContact CD2-CB 4.38Å; L133-V150 HydrophobicContact CD2-CG1 3.87Å; L133-V150 HydrophobicContact CD2-CG2 4.08Å; F144-V150 HydrophobicContact CE1-CG2 3.91Å; F144-V150 HydrophobicContact CZ-CG2 3.84Å; V150-W152 HydrophobicContact CG1-CE3 4.26Å; V150-W152 PolarHBondContact O-N 3.45Å; V150-W152 VanDerWaalsContact O-N 3.13Å; V150-M166 HydrophobicContact CB-CB 4.26Å; V150-M166 HydrophobicContact CB-CE 4.14Å; V150-M166 HydrophobicContact CG1-CE 3.93Å; V150-M166 PolarHBondContact N-O 3.5Å; V150-M166 PolarHBondContact O-N 2.93Å; V150-M166 VanDerWaalsContact O-N 3.13Å; V150-L168 HydrophobicContact CG2-CD1 4.42Å
151	S	90.3	Very high	91.4	Very high	53 Å²	53	64.6 Å²	64.6	37%	0.371	35%	0.346	S	S	.	.			trans	-75	96.7	175.8	-56.5	0	0	0	0	110.4
152	W	91.6	Very high	92.1	Very high	83 Å²	83	60.3 Å²	60.3	31%	0.314	32%	0.323	S	S	.	.			trans	-95.6	-30.2	-173.7	-166.5	-101.9	0	0	0	114.6	L129 L133 V150 S154 L156 Q164 H165 M166	L129-W152 HydrophobicContact CD1-CD2 4.41Å; L129-W152 HydrophobicContact CD1-CH2 4.3Å; L129-W152 HydrophobicContact CD1-CZ2 3.76Å; L133-W152 HydrophobicContact CD2-CZ3 4.3Å; V150-W152 HydrophobicContact CG1-CE3 4.26Å; V150-W152 PolarHBondContact O-N 3.45Å; V150-W152 VanDerWaalsContact O-N 3.13Å; W152-S154 VanDerWaalsContact CD1-O 3.29Å; W152-S154 PolarHBondContact O-N 3.15Å; W152-S154 VanDerWaalsContact O-N 3.15Å; W152-L156 HydrophobicContact CB-CD2 4.39Å; W152-L156 HydrophobicContact CG-CD2 4.09Å; W152-Q164 CarbonylContact C-O 3.53Å; W152-Q164 VanDerWaalsContact CB-O 3.3Å; W152-Q164 WeakPolarHBondContact CB-O 3.37Å; W152-H165 PolarHBondContact N-ND1 3.36Å; W152-H165 VanDerWaalsContact N-ND1 3.2Å; W152-M166 HydrophobicContact CB-CE 3.81Å; W152-M166 HydrophobicContact CD2-CE 3.56Å; W152-M166 HydrophobicContact CE3-CE 3.41Å; W152-M166 VanDerWaalsContact CE3-CE 3.41Å; W152-M166 HydrophobicContact CG-CE 3.76Å; W152-M166 HydrophobicContact CZ3-CE 4.12Å
153	H	89.7	Confident	93.2	Very high	141 Å²	141	56.7 Å²	56.7	65%	0.653	30%	0.304	S	S	*	.			trans	57.1	26.9	173.2	-58.4	-77.8	0	0	0	114.8	Q164 H165	H153-Q164 PolarHBondContact N-O 3.25Å; H153-H165 AromaticContact CE1-CE1 3.81Å; H153-H165 AromaticContact CG-CE1 3.81Å; H153-H165 PolarHBondContact N-CE1 3.15Å; H153-H165 PolarHBondContact N-ND1 3.28Å; H153-H165 AromaticContact ND1-CE1 3.49Å; H153-H165 PolarHBondContact ND1-CE1 3.41Å
154	S	92.2	Very high	93.7	Very high	43 Å²	43	56 Å²	56	30%	0.301	30%	0.295	S	S	.	.	S	Bend	trans	-154	146.1	177	-178.1	0	0	0	0	109.5	W152 L156 Q164	W152-S154 VanDerWaalsContact CD1-O 3.29Å; W152-S154 PolarHBondContact O-N 3.15Å; W152-S154 VanDerWaalsContact O-N 3.15Å; S154-L156 PolarHBondContact O-N 2.88Å; S154-Q164 PolarHBondContact N-O 3.43Å; S154-Q164 CarbonylContact O-C 3.59Å; S154-Q164 VanDerWaalsContact O-CA 3.24Å; S154-Q164 WeakPolarHBondContact O-CA 3.33Å
155	P	97.6	Very high	94.2	Very high	21 Å²	21	55.2 Å²	55.2	14%	0.136	29%	0.292	C	S	.	.			trans	-54.6	128.6	171.6	-29.1	39.8	0	0	0	111.1	D157 N158 S159 S161 I163 Q164	P155-D157 PolarHBondContact O-N 3.01Å; P155-D157 VanDerWaalsContact O-N 3.14Å; P155-N158 PolarHBondContact O-N 2.83Å; P155-S159 WeakPolarHBondContact CB-O 3.35Å; P155-S159 WeakPolarHBondContact CG-O 3.32Å; P155-S161 WeakPolarHBondContact CG-O 3.15Å; P155-I163 WeakPolarHBondContact CA-O 3.41Å; P155-Q164 HydrophobicContact CG-CG 4.17Å
156	L	97.6	Very high	94.6	Very high	6 Å²	6	51.7 Å²	51.7	3%	0.031	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-27.5	-169.5	-54	-176	0	0	0	113.4	W125 L129 W152 S154 I163 M166 M227	W125-L156 VanDerWaalsContact CE3-O 3.25Å; W125-L156 HydrophobicContact CH2-CB 4.2Å; W125-L156 VanDerWaalsContact CZ3-C 3.5Å; W125-L156 HydrophobicContact CZ3-CB 3.93Å; W125-L156 WeakPolarHBondContact CZ3-O 3.42Å; L129-L156 HydrophobicContact CD1-CD2 4.24Å; L129-L156 HydrophobicContact CD2-CB 4.23Å; L129-L156 HydrophobicContact CD2-CD1 4.32Å; W152-L156 HydrophobicContact CB-CD2 4.39Å; W152-L156 HydrophobicContact CG-CD2 4.09Å; S154-L156 PolarHBondContact O-N 2.88Å; L156-I163 HydrophobicContact CD1-CG2 3.82Å; L156-I163 HydrophobicContact CG-CG2 4.15Å; L156-I163 PolarHBondContact N-O 3.35Å; L156-M166 HydrophobicContact CD1-CG 3.97Å; L156-M166 HydrophobicContact CD2-CE 4.31Å; L156-M166 HydrophobicContact CD2-CG 3.98Å; L156-M166 HydrophobicContact CD2-SD 4.26Å; L156-M227 HydrophobicContact CB-CE 3.69Å; L156-M227 HydrophobicContact CB-SD 4.19Å; L156-M227 HydrophobicContact CD1-SD 4.31Å; L156-M227 HydrophobicContact CG-CE 4.18Å
157	D	97.4	Very high	94.8	Very high	26 Å²	26	50.1 Å²	50.1	14%	0.139	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	11.8	-179.9	67.8	-16.9	0	0	0	113.5	W125 P155 S159 M227 R228	W125-D157 HydrophobicContact CD2-CB 3.55Å; W125-D157 VanDerWaalsContact CE2-CB 3.43Å; W125-D157 HydrophobicContact CE3-CB 3.82Å; W125-D157 HydrophobicContact CG-CB 4.14Å; W125-D157 HydrophobicContact CH2-CB 3.91Å; W125-D157 HydrophobicContact CZ2-CB 3.64Å; W125-D157 HydrophobicContact CZ3-CB 3.99Å; P155-D157 PolarHBondContact O-N 3.01Å; P155-D157 VanDerWaalsContact O-N 3.14Å; D157-S159 PolarHBondContact O-N 3.06Å; D157-S159 WeakPolarHBondContact OD1-CB 3.41Å; D157-S159 PolarHBondContact OD1-N 2.85Å; D157-S159 VanDerWaalsContact OD1-N 3.13Å; D157-S159 PolarHBondContact OD1-OG 2.84Å; D157-S159 PolarHBondContact OD2-OG 2.83Å; D157-M227 HydrophobicContact CB-CE 4.17Å; D157-M227 WeakPolarHBondContact OD1-CE 3.35Å; D157-R228 IonicContact OD1-NH2 3.57Å; D157-R228 IonicContact OD2-CZ 3.84Å; D157-R228 IonicContact OD2-NH1 3.49Å; D157-R228 IonicContact OD2-NH2 2.92Å; D157-R228 PolarHBondContact OD2-NH2 3.28Å
158	N	95.3	Very high	95.2	Very high	133 Å²	133	49.5 Å²	49.5	71%	0.711	25%	0.25	S	S	*	.	S	Bend	trans	56.3	23.5	-173	-57.1	-56.6	0	0	0	114.2	P155	P155-N158 PolarHBondContact O-N 2.83Å
159	S	96.4	Very high	95.7	Very high	39 Å²	39	47 Å²	47	27%	0.273	24%	0.237	S	C	.	.	S	Bend	trans	-89	-161.7	170.2	75.6	0	0	0	0	111.4	P155 D157 S161 R228	P155-S159 WeakPolarHBondContact CB-O 3.35Å; P155-S159 WeakPolarHBondContact CG-O 3.32Å; D157-S159 PolarHBondContact O-N 3.06Å; D157-S159 WeakPolarHBondContact OD1-CB 3.41Å; D157-S159 PolarHBondContact OD1-N 2.85Å; D157-S159 VanDerWaalsContact OD1-N 3.13Å; D157-S159 PolarHBondContact OD1-OG 2.84Å; D157-S159 PolarHBondContact OD2-OG 2.83Å; S159-S161 VanDerWaalsContact C-N 3.32Å; S159-S161 WeakPolarHBondContact OG-CB 3.18Å; S159-S161 PolarHBondContact OG-N 2.89Å; S159-S161 VanDerWaalsContact OG-N 3.09Å; S159-R228 PolarHBondContact OG-NH2 2.84Å
160	E	96.2	Very high	96	Very high	193 Å²	193	49.9 Å²	49.9	90%	0.902	25%	0.251	S	S	*	.	S	Bend	trans	-96.7	25.3	169.6	-59.7	-63.2	143.9	0	0	111.6
161	S	97.8	Very high	96.4	Very high	8 Å²	8	49.4 Å²	49.4	6%	0.056	25%	0.247	C	C	.	.			trans	-62.3	147.3	-179.5	-174.6	0	0	0	0	112.2	P155 S159 I163 M227	P155-S161 WeakPolarHBondContact CG-O 3.15Å; S159-S161 VanDerWaalsContact C-N 3.32Å; S159-S161 WeakPolarHBondContact OG-CB 3.18Å; S159-S161 PolarHBondContact OG-N 2.89Å; S159-S161 VanDerWaalsContact OG-N 3.09Å; S161-I163 PolarHBondContact O-N 2.89Å; S161-I163 PolarHBondContact OG-N 2.91Å; S161-I163 VanDerWaalsContact OG-N 3.13Å; S161-M227 WeakPolarHBondContact CB-O 3.44Å; S161-M227 PolarHBondContact OG-O 3.39Å
162	R	98.3	Very high	96.8	Very high	70 Å²	70	49.2 Å²	49.2	26%	0.264	25%	0.245	S	C	.	.	S	Bend	trans	-73.2	-15.4	170.1	-161	175.9	-177.6	-179.7	-1.1	112.7	Q164 C193 E195 G230 E235	R162-Q164 PolarHBondContact O-N 3.09Å; R162-C193 HydrophobicContact CG-CB 4.47Å; R162-E195 IonicContact CZ-OE1 2.8Å; R162-E195 IonicContact NE-OE1 3.85Å; R162-E195 IonicContact NE-OE2 3.62Å; R162-E195 IonicContact NH2-OE1 2.59Å; R162-E195 PolarHBondContact NH2-OE1 3.18Å; R162-E195 IonicContact NH2-OE2 2.79Å; R162-G230 VanDerWaalsContact CD-O 3.32Å; R162-G230 WeakPolarHBondContact CD-O 3.47Å; R162-G230 PolarHBondContact NH1-O 3.38Å; R162-E235 IonicContact CZ-OE1 3.23Å; R162-E235 IonicContact CZ-OE2 3.43Å; R162-E235 VanDerWaalsContact NH1-CD 3.32Å; R162-E235 IonicContact NH1-OE1 3.38Å; R162-E235 PolarHBondContact NH1-OE1 2.8Å; R162-E235 VanDerWaalsContact NH1-OE1 3.12Å; R162-E235 IonicContact NH1-OE2 3.12Å; R162-E235 PolarHBondContact NH1-OE2 3.06Å; R162-E235 IonicContact NH2-OE1 2.81Å; R162-E235 PolarHBondContact NH2-OE1 3.37Å; R162-E235 IonicContact NH2-OE2 2.84Å
163	I	98.6	Very high	97.1	Very high	1 Å²	1	47 Å²	47	1%	0.005	24%	0.238	C	C	.	.			trans	-78.7	103	177.6	-52.3	-56.9	0	0	0	109.5	P155 L156 S161 G191 T225 M227 R229	P155-I163 WeakPolarHBondContact CA-O 3.41Å; L156-I163 HydrophobicContact CD1-CG2 3.82Å; L156-I163 HydrophobicContact CG-CG2 4.15Å; L156-I163 PolarHBondContact N-O 3.35Å; S161-I163 PolarHBondContact O-N 2.89Å; S161-I163 PolarHBondContact OG-N 2.91Å; S161-I163 VanDerWaalsContact OG-N 3.13Å; I163-G191 VanDerWaalsContact CG2-C 3.45Å; I163-G191 VanDerWaalsContact CG2-CA 3.48Å; I163-T225 HydrophobicContact CG2-CG2 4.2Å; I163-M227 HydrophobicContact CB-CE 3.79Å; I163-M227 HydrophobicContact CB-SD 3.92Å; I163-M227 HydrophobicContact CG1-SD 4.35Å; I163-M227 HydrophobicContact CG2-CE 4.15Å; I163-M227 HydrophobicContact CG2-SD 3.85Å; I163-R229 HydrophobicContact CD1-CB 4.4Å
164	Q	96.9	Very high	97.5	Very high	64 Å²	64	40.7 Å²	40.7	30%	0.299	21%	0.209	S	C	.	.			trans	-126.9	-0.9	-167.1	-66.6	178.6	-0.8	0	0	114.4	W152 H153 S154 P155 R162 V192	W152-Q164 CarbonylContact C-O 3.53Å; W152-Q164 VanDerWaalsContact CB-O 3.3Å; W152-Q164 WeakPolarHBondContact CB-O 3.37Å; H153-Q164 PolarHBondContact N-O 3.25Å; S154-Q164 PolarHBondContact N-O 3.43Å; S154-Q164 CarbonylContact O-C 3.59Å; S154-Q164 VanDerWaalsContact O-CA 3.24Å; S154-Q164 WeakPolarHBondContact O-CA 3.33Å; P155-Q164 HydrophobicContact CG-CG 4.17Å; R162-Q164 PolarHBondContact O-N 3.09Å; Q164-V192 PolarHBondContact N-O 3.29Å
165	H	98.2	Very high	97.6	Very high	6 Å²	6	43.9 Å²	43.9	3%	0.028	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	173.7	-174.6	-56.8	-79.4	0	0	0	110.1	W152 H153 G191 V192 L197	W152-H165 PolarHBondContact N-ND1 3.36Å; W152-H165 VanDerWaalsContact N-ND1 3.2Å; H153-H165 AromaticContact CE1-CE1 3.81Å; H153-H165 AromaticContact CG-CE1 3.81Å; H153-H165 PolarHBondContact N-CE1 3.15Å; H153-H165 PolarHBondContact N-ND1 3.28Å; H153-H165 AromaticContact ND1-CE1 3.49Å; H153-H165 PolarHBondContact ND1-CE1 3.41Å; H165-G191 WeakPolarHBondContact O-CA 3.18Å; H165-V192 HydrophobicContact CB-CG2 3.76Å; H165-V192 PolarHBondContact N-O 2.93Å; H165-V192 VanDerWaalsContact N-O 3.14Å; H165-V192 PolarHBondContact O-N 3.05Å; H165-L197 HydrophobicContact CB-CB 4.12Å; H165-L197 HydrophobicContact CB-CD2 3.86Å; H165-L197 HydrophobicContact CB-CG 4.44Å; H165-L197 VanDerWaalsContact CG-CD2 3.42Å; H165-L197 WeakPolarHBondContact ND1-CD2 3.43Å
166	M	98.4	Very high	97.6	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	144.1	-177.9	-63.1	167	-80.8	0	0	111.6	L129 L133 H149 V150 W152 L156 I189 V190	L129-M166 HydrophobicContact CD1-CE 4.04Å; L129-M166 HydrophobicContact CD1-SD 3.91Å; L129-M166 HydrophobicContact CD2-SD 4.05Å; L129-M166 HydrophobicContact CG-SD 4.22Å; L133-M166 HydrophobicContact CD1-CE 4.3Å; L133-M166 HydrophobicContact CD1-SD 3.77Å; L133-M166 HydrophobicContact CD2-CE 3.83Å; L133-M166 HydrophobicContact CD2-SD 4.37Å; L133-M166 HydrophobicContact CG-CE 4.24Å; L133-M166 HydrophobicContact CG-SD 4.34Å; H149-M166 CarbonylContact C-O 3.51Å; H149-M166 WeakPolarHBondContact CA-O 3.06Å; V150-M166 HydrophobicContact CB-CB 4.26Å; V150-M166 HydrophobicContact CB-CE 4.14Å; V150-M166 HydrophobicContact CG1-CE 3.93Å; V150-M166 PolarHBondContact N-O 3.5Å; V150-M166 PolarHBondContact O-N 2.93Å; V150-M166 VanDerWaalsContact O-N 3.13Å; W152-M166 HydrophobicContact CB-CE 3.81Å; W152-M166 HydrophobicContact CD2-CE 3.56Å; W152-M166 HydrophobicContact CE3-CE 3.41Å; W152-M166 VanDerWaalsContact CE3-CE 3.41Å; W152-M166 HydrophobicContact CG-CE 3.76Å; W152-M166 HydrophobicContact CZ3-CE 4.12Å; L156-M166 HydrophobicContact CD1-CG 3.97Å; L156-M166 HydrophobicContact CD2-CE 4.31Å; L156-M166 HydrophobicContact CD2-CG 3.98Å; L156-M166 HydrophobicContact CD2-SD 4.26Å; M166-I189 HydrophobicContact CB-CG2 4.07Å; M166-I189 HydrophobicContact CG-CG2 3.67Å; M166-I189 HydrophobicContact SD-CG2 3.57Å; M166-I189 VanDerWaalsContact SD-CG2 3.57Å; M166-V190 CarbonylContact C-O 3.59Å; M166-V190 VanDerWaalsContact CA-O 3.28Å; M166-V190 WeakPolarHBondContact CA-O 3.24Å
167	L	98.4	Very high	97.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	155.8	157.9	-62.3	-178.8	0	0	0	109	D148 H149 V190 V192 S200 I208 L209	D148-L167 CarbonylContact O-C 3.45Å; D148-L167 WeakPolarHBondContact O-CA 3.27Å; H149-L167 HydrophobicContact CB-CD2 3.48Å; H149-L167 VanDerWaalsContact CB-CD2 3.48Å; L167-V190 PolarHBondContact N-O 2.84Å; L167-V190 PolarHBondContact O-N 2.88Å; L167-V192 HydrophobicContact CB-CG1 4.44Å; L167-V192 HydrophobicContact CD1-CG1 3.93Å; L167-V192 HydrophobicContact CG-CG1 3.83Å; L167-V192 HydrophobicContact CG-CG2 4.23Å; L167-S200 WeakPolarHBondContact CD2-OG 3.13Å; L167-I208 HydrophobicContact CD1-CB 4.19Å; L167-I208 HydrophobicContact CD1-CG2 3.89Å; L167-L209 HydrophobicContact CB-CD2 3.92Å; L167-L209 HydrophobicContact CB-CG 4.38Å; L167-L209 HydrophobicContact CD1-CD2 4.11Å; L167-L209 HydrophobicContact CD1-CG 4.05Å
168	L	98.3	Very high	97.7	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	137.1	177	-60.3	177.9	0	0	0	110	F144 G147 D148 V150 Q188 I189	F144-L168 HydrophobicContact CB-CD1 3.44Å; F144-L168 VanDerWaalsContact CB-CD1 3.44Å; F144-L168 HydrophobicContact CD1-CD1 3.54Å; F144-L168 HydrophobicContact CD2-CD1 3.6Å; F144-L168 HydrophobicContact CE1-CD1 4.12Å; F144-L168 HydrophobicContact CE2-CD1 4.18Å; F144-L168 HydrophobicContact CG-CD1 3.25Å; F144-L168 HydrophobicContact CZ-CD1 4.41Å; G147-L168 PolarHBondContact N-O 3.32Å; D148-L168 HydrophobicContact CB-CD1 4.31Å; D148-L168 PolarHBondContact O-N 2.86Å; V150-L168 HydrophobicContact CG2-CD1 4.42Å; L168-Q188 WeakPolarHBondContact CA-O 3.44Å; L168-I189 HydrophobicContact CD2-CB 4.42Å; L168-I189 HydrophobicContact CD2-CG1 3.84Å
169	T	98.6	Very high	97.8	Very high	3 Å²	3	46.6 Å²	46.6	2%	0.018	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	167.2	178.8	-164.5	0	0	0	0	110.6	L187 Q188 V190 L209 R213 L223	T169-L187 CarbonylContact O-C 3.56Å; T169-L187 WeakPolarHBondContact O-CA 3.42Å; T169-Q188 HydrophobicContact CG2-CB 4.05Å; T169-Q188 PolarHBondContact N-O 3.13Å; T169-Q188 PolarHBondContact O-N 2.64Å; T169-V190 HydrophobicContact CG2-CG2 3.84Å; T169-L209 HydrophobicContact CG2-CD2 4.32Å; T169-R213 PolarHBondContact OG1-NH2 2.72Å; T169-L223 HydrophobicContact CG2-CD1 3.82Å
170	E	98.4	Very high	97.8	Very high	138 Å²	138	47.8 Å²	47.8	65%	0.645	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-67.1	136.5	172.6	-62.9	-179.9	171	0	0	110.2	S146	S146-E170 PolarHBondContact OG-N 3.14Å
171	D	98.7	Very high	97.9	Very high	9 Å²	9	39.5 Å²	39.5	5%	0.048	20%	0.202	C	C	.	.			trans	-61	128.2	174.8	-171.9	-75.6	0	0	0	110.4	H78 T110 R112 Q173 M174 F186 Q188	H78-D171 IonicContact CE1-OD2 3.63Å; H78-D171 IonicContact NE2-OD2 2.63Å; H78-D171 PolarHBondContact NE2-OD2 3.05Å; H78-D171 VanDerWaalsContact NE2-OD2 3.07Å; T110-D171 HydrophobicContact CG2-CB 4.45Å; T110-D171 PolarHBondContact OG1-OD2 3.24Å; R112-D171 IonicContact CZ-OD1 2.8Å; R112-D171 IonicContact CZ-OD2 2.68Å; R112-D171 IonicContact NE-OD2 2.84Å; R112-D171 VanDerWaalsContact NH2-CG 3.32Å; R112-D171 IonicContact NH2-OD1 3Å; R112-D171 PolarHBondContact NH2-OD1 3.3Å; R112-D171 IonicContact NH2-OD2 3.78Å; R112-D171 PolarHBondContact NH2-OD2 3.23Å; D171-Q173 PolarHBondContact O-N 2.6Å; D171-Q173 VanDerWaalsContact O-N 3.13Å; D171-Q173 WeakPolarHBondContact OD1-CA 3.05Å; D171-Q173 PolarHBondContact OD1-N 3.05Å; D171-M174 HydrophobicContact CB-CB 4.04Å; D171-M174 PolarHBondContact OD1-N 2.92Å; D171-F186 HydrophobicContact CB-CB 3.84Å; D171-F186 PolarHBondContact N-O 3.27Å; D171-Q188 HydrophobicContact CB-CB 4.45Å; D171-Q188 PolarHBondContact OD2-OE1 3.14Å
172	P	97.9	Very high	97.9	Very high	50 Å²	50	39.1 Å²	39.1	33%	0.325	20%	0.199	S	C	.	.	S	Bend	trans	-71.1	-9.3	-173.9	29.3	-36.2	0	0	0	113.9	W222	P172-W222 HydrophobicContact CB-CG 4.2Å; P172-W222 HydrophobicContact CG-CB 3.85Å; P172-W222 HydrophobicContact CG-CD2 4.4Å; P172-W222 HydrophobicContact CG-CG 3.84Å
173	Q	98.2	Very high	97.9	Very high	36 Å²	36	38.5 Å²	38.5	17%	0.168	20%	0.203	C	C	.	.	S	Bend	trans	-124.5	-31	-175.9	-59.5	-168.4	-81.2	0	0	114.2	R32 L33 N65 D171 H175 W222	R32-Q173 PolarHBondContact NH2-O 2.98Å; L33-Q173 HydrophobicContact CD1-CB 3.82Å; L33-Q173 HydrophobicContact CD2-CB 3.93Å; N65-Q173 PolarHBondContact ND2-OE1 3.19Å; D171-Q173 PolarHBondContact O-N 2.6Å; D171-Q173 VanDerWaalsContact O-N 3.13Å; D171-Q173 WeakPolarHBondContact OD1-CA 3.05Å; D171-Q173 PolarHBondContact OD1-N 3.05Å; Q173-H175 PolarHBondContact O-CE1 2.83Å; Q173-H175 PolarHBondContact O-ND1 2.99Å; Q173-W222 VanDerWaalsContact CD-CH2 3.41Å; Q173-W222 HydrophobicContact CG-CD2 4.35Å; Q173-W222 HydrophobicContact CG-CE3 4.28Å; Q173-W222 HydrophobicContact CG-CH2 4.17Å; Q173-W222 HydrophobicContact CG-CZ2 4.15Å; Q173-W222 HydrophobicContact CG-CZ3 4.21Å; Q173-W222 VanDerWaalsContact OE1-CZ3 3.24Å
174	M	98.3	Very high	97.9	Very high	9 Å²	9	38.4 Å²	38.4	4%	0.044	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-86.8	124.7	179	-62.3	-165	76.4	0	0	110.6	E29 L33 V80 T110 D171 F186	E29-M174 HydrophobicContact CB-CE 4Å; E29-M174 HydrophobicContact CG-CB 4.33Å; E29-M174 HydrophobicContact CG-CE 3.53Å; E29-M174 HydrophobicContact CG-CG 4.47Å; E29-M174 WeakPolarHBondContact OE1-CA 3.45Å; L33-M174 HydrophobicContact CD1-CG 3.51Å; V80-M174 HydrophobicContact CG1-CE 4.23Å; V80-M174 HydrophobicContact CG1-SD 4.18Å; V80-M174 HydrophobicContact CG2-SD 3.83Å; T110-M174 HydrophobicContact CG2-SD 3.9Å; D171-M174 HydrophobicContact CB-CB 4.04Å; D171-M174 PolarHBondContact OD1-N 2.92Å; M174-F186 HydrophobicContact CB-CB 3.85Å; M174-F186 HydrophobicContact CB-CD1 4.31Å; M174-F186 HydrophobicContact CB-CD2 3.57Å; M174-F186 HydrophobicContact CB-CE2 4.21Å; M174-F186 HydrophobicContact CB-CG 3.62Å; M174-F186 HydrophobicContact CE-CD1 3.7Å; M174-F186 HydrophobicContact CE-CD2 4.25Å; M174-F186 HydrophobicContact CE-CE1 3.34Å; M174-F186 HydrophobicContact CE-CE2 3.93Å; M174-F186 HydrophobicContact CE-CG 4.15Å; M174-F186 HydrophobicContact CE-CZ 3.46Å; M174-F186 VanDerWaalsContact CE-CZ 3.46Å; M174-F186 HydrophobicContact CG-CG 4.39Å; M174-F186 HydrophobicContact SD-CD1 3.67Å; M174-F186 HydrophobicContact SD-CE1 3.96Å; M174-F186 HydrophobicContact SD-CG 3.99Å; M174-F186 HydrophobicContact SD-CZ 4.5Å
175	H	94.8	Very high	98	Very high	109 Å²	109	37.5 Å²	37.5	51%	0.505	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-91.1	151.5	178.9	-53.8	79.8	0	0	0	109.9	E29 R32 Q173 I177 F186	E29-H175 IonicContact OE1-CG 2.83Å; E29-H175 PolarHBondContact OE1-N 2.97Å; E29-H175 IonicContact OE1-ND1 2.68Å; E29-H175 PolarHBondContact OE1-ND1 3.34Å; R32-H175 PolarHBondContact NH2-CE1 3.24Å; R32-H175 PolarHBondContact NH2-ND1 3.28Å; Q173-H175 PolarHBondContact O-CE1 2.83Å; Q173-H175 PolarHBondContact O-ND1 2.99Å; H175-I177 PolarHBondContact O-N 3.17Å; H175-F186 WeakPolarHBondContact O-CD2 3.34Å; H175-F186 VanDerWaalsContact O-CE2 3.28Å; H175-F186 WeakPolarHBondContact O-CE2 3.26Å
176	P	97.8	Very high	98	Very high	98 Å²	98	37.4 Å²	37.4	64%	0.636	20%	0.203	S	C	*	.	P	Polyproline II helix	trans	-54.2	135	168.2	-24.2	34	0	0	0	111	V184	P176-V184 CarbonylContact C-O 3.48Å; P176-V184 VanDerWaalsContact CA-O 3.27Å; P176-V184 WeakPolarHBondContact CA-O 3.27Å
177	I	98.4	Very high	98	Very high	26 Å²	26	37.9 Å²	37.9	13%	0.133	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	148.6	-179.5	60.2	176.4	0	0	0	110.9	A25 I26 E29 H175 T179 T183 V184 F186	A25-I177 HydrophobicContact CB-CD1 3.9Å; I26-I177 HydrophobicContact CB-CD1 4.3Å; I26-I177 HydrophobicContact CG1-CD1 3.78Å; E29-I177 HydrophobicContact CB-CG2 4.01Å; E29-I177 HydrophobicContact CG-CG2 4.23Å; H175-I177 PolarHBondContact O-N 3.17Å; I177-T179 HydrophobicContact CD1-CG2 4.47Å; I177-T179 HydrophobicContact CG1-CG2 4.46Å; I177-T183 WeakPolarHBondContact O-CA 3.29Å; I177-V184 HydrophobicContact CD1-CB 4.39Å; I177-V184 HydrophobicContact CG1-CB 3.85Å; I177-V184 PolarHBondContact N-O 3.14Å; I177-V184 PolarHBondContact O-N 2.91Å; I177-F186 HydrophobicContact CD1-CE2 4.35Å; I177-F186 HydrophobicContact CD1-CZ 4.04Å; I177-F186 HydrophobicContact CG1-CE2 4.22Å; I177-F186 HydrophobicContact CG1-CZ 4.36Å; I177-F186 HydrophobicContact CG2-CE2 4.37Å
178	Q	98	Very high	98.1	Very high	113 Å²	113	37.9 Å²	37.9	53%	0.528	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	132.7	169.3	-173.5	64.4	52.6	0	0	109.6	T99 G182 T183	T99-Q178 PolarHBondContact O-NE2 2.81Å; Q178-G182 PolarHBondContact NE2-O 3.34Å; Q178-T183 VanDerWaalsContact OE1-CG2 3.28Å
179	T	97.8	Very high	98.1	Very high	6 Å²	6	37.9 Å²	37.9	4%	0.037	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	167.7	171.4	81.3	0	0	0	0	110.1	A25 I177 F181 G182 V184	A25-T179 HydrophobicContact CB-CG2 3.79Å; I177-T179 HydrophobicContact CD1-CG2 4.47Å; I177-T179 HydrophobicContact CG1-CG2 4.46Å; T179-F181 PolarHBondContact O-N 3.31Å; T179-F181 VanDerWaalsContact O-N 3.11Å; T179-F181 PolarHBondContact OG1-N 2.87Å; T179-G182 WeakPolarHBondContact CB-O 3.42Å; T179-G182 PolarHBondContact N-O 3.14Å; T179-G182 PolarHBondContact O-N 3.44Å; T179-G182 PolarHBondContact OG1-N 3.39Å; T179-G182 PolarHBondContact OG1-O 2.66Å; T179-V184 HydrophobicContact CG2-CG2 3.88Å
180	P	97.1	Very high	98.1	Very high	65 Å²	65	37.7 Å²	37.7	42%	0.422	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-10.7	168.9	-24	36.6	0	0	0	114.3	P21 T99	P21-P180 HydrophobicContact CB-CG 3.88Å; T99-P180 WeakPolarHBondContact CG2-O 3.25Å
181	F	97.8	Very high	98.1	Very high	18 Å²	18	31.2 Å²	31.2	8%	0.079	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.9	12	-172.2	-43.7	-41.7	0	0	0	112.4	P21 D86 Y88 F96 G98 S103 T179	P21-F181 HydrophobicContact CB-CE2 3.86Å; P21-F181 HydrophobicContact CB-CZ 3.8Å; P21-F181 HydrophobicContact CG-CE2 4.18Å; P21-F181 HydrophobicContact CG-CZ 3.74Å; D86-F181 HydrophobicContact CB-CB 4.1Å; D86-F181 VanDerWaalsContact O-CD2 3.23Å; D86-F181 WeakPolarHBondContact O-CD2 3.38Å; Y88-F181 WeakPolarHBondContact O-CZ 3.33Å; F96-F181 HydrophobicContact CD2-CD1 4.24Å; F96-F181 AromaticContact CE2-CD1 3.82Å; F96-F181 HydrophobicContact CE2-CD1 3.82Å; F96-F181 HydrophobicContact CE2-CE1 4.41Å; G98-F181 CarbonylContact O-C 2.94Å; G98-F181 WeakPolarHBondContact O-CA 3.42Å; S103-F181 WeakPolarHBondContact CA-O 3.1Å; S103-F181 WeakPolarHBondContact CB-O 3.06Å; S103-F181 PolarHBondContact OG-O 2.9Å; T179-F181 PolarHBondContact O-N 3.31Å; T179-F181 VanDerWaalsContact O-N 3.11Å; T179-F181 PolarHBondContact OG1-N 2.87Å
182	G	97.9	Very high	98.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	118.9	-176.2	-178.8	0	0	0	0	0	113.5	G98 G101 Q178 T179	G98-G182 PolarHBondContact O-N 2.71Å; G98-G182 VanDerWaalsContact O-N 3.12Å; G101-G182 CarbonylContact O-C 2.98Å; G101-G182 WeakPolarHBondContact O-CA 3.06Å; Q178-G182 PolarHBondContact NE2-O 3.34Å; T179-G182 WeakPolarHBondContact CB-O 3.42Å; T179-G182 PolarHBondContact N-O 3.14Å; T179-G182 PolarHBondContact O-N 3.44Å; T179-G182 PolarHBondContact OG1-N 3.39Å; T179-G182 PolarHBondContact OG1-O 2.66Å
183	T	98.3	Very high	98.1	Very high	57 Å²	57	28.4 Å²	28.4	35%	0.35	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	144.9	176.8	55.7	0	0	0	0	111.5	G101 S103 I177 Q178	G101-T183 PolarHBondContact O-N 3.45Å; G101-T183 PolarHBondContact O-OG1 3.43Å; S103-T183 PolarHBondContact N-O 3.01Å; I177-T183 WeakPolarHBondContact O-CA 3.29Å; Q178-T183 VanDerWaalsContact OE1-CG2 3.28Å
184	V	98.7	Very high	98.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	119	173.5	-178.8	0	0	0	0	108.5	E108 P176 I177 T179 F186	E108-V184 HydrophobicContact CG-CG1 3.99Å; P176-V184 CarbonylContact C-O 3.48Å; P176-V184 VanDerWaalsContact CA-O 3.27Å; P176-V184 WeakPolarHBondContact CA-O 3.27Å; I177-V184 HydrophobicContact CD1-CB 4.39Å; I177-V184 HydrophobicContact CG1-CB 3.85Å; I177-V184 PolarHBondContact N-O 3.14Å; I177-V184 PolarHBondContact O-N 2.91Å; T179-V184 HydrophobicContact CG2-CG2 3.88Å; V184-F186 HydrophobicContact CG1-CZ 4.4Å
185	S	98.3	Very high	98	Very high	44 Å²	44	31.5 Å²	31.5	31%	0.308	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	170.7	169	61	0	0	0	0	111.1	G106 F107 E108	G106-S185 PolarHBondContact O-N 3.41Å; G106-S185 PolarHBondContact O-OG 3.01Å; F107-S185 CarbonylContact C-O 3.59Å; F107-S185 WeakPolarHBondContact CA-O 3.29Å; F107-S185 VanDerWaalsContact CB-OG 3.3Å; F107-S185 WeakPolarHBondContact CB-OG 3.42Å; E108-S185 PolarHBondContact N-O 3.22Å
186	F	98.8	Very high	98.2	Very high	5 Å²	5	26.3 Å²	26.3	2%	0.022	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	113.5	-179.3	-65.6	-82.7	0	0	0	109.6	I26 E29 V80 E108 T110 D171 M174 H175 I177 V184	I26-F186 HydrophobicContact CG2-CE1 3.92Å; I26-F186 HydrophobicContact CG2-CZ 4.1Å; E29-F186 HydrophobicContact CG-CE2 4.25Å; V80-F186 HydrophobicContact CG1-CE1 4.31Å; E108-F186 HydrophobicContact CB-CD1 4.07Å; E108-F186 HydrophobicContact CB-CE1 4.1Å; E108-F186 WeakPolarHBondContact O-CA 3.33Å; T110-F186 HydrophobicContact CG2-CB 4.02Å; T110-F186 HydrophobicContact CG2-CD1 3.99Å; T110-F186 HydrophobicContact CG2-CG 4.44Å; D171-F186 HydrophobicContact CB-CB 3.84Å; D171-F186 PolarHBondContact N-O 3.27Å; M174-F186 HydrophobicContact CB-CB 3.85Å; M174-F186 HydrophobicContact CB-CD1 4.31Å; M174-F186 HydrophobicContact CB-CD2 3.57Å; M174-F186 HydrophobicContact CB-CE2 4.21Å; M174-F186 HydrophobicContact CB-CG 3.62Å; M174-F186 HydrophobicContact CE-CD1 3.7Å; M174-F186 HydrophobicContact CE-CD2 4.25Å; M174-F186 HydrophobicContact CE-CE1 3.34Å; M174-F186 HydrophobicContact CE-CE2 3.93Å; M174-F186 HydrophobicContact CE-CG 4.15Å; M174-F186 HydrophobicContact CE-CZ 3.46Å; M174-F186 VanDerWaalsContact CE-CZ 3.46Å; M174-F186 HydrophobicContact CG-CG 4.39Å; M174-F186 HydrophobicContact SD-CD1 3.67Å; M174-F186 HydrophobicContact SD-CE1 3.96Å; M174-F186 HydrophobicContact SD-CG 3.99Å; M174-F186 HydrophobicContact SD-CZ 4.5Å; H175-F186 WeakPolarHBondContact O-CD2 3.34Å; H175-F186 VanDerWaalsContact O-CE2 3.28Å; H175-F186 WeakPolarHBondContact O-CE2 3.26Å; I177-F186 HydrophobicContact CD1-CE2 4.35Å; I177-F186 HydrophobicContact CD1-CZ 4.04Å; I177-F186 HydrophobicContact CG1-CE2 4.22Å; I177-F186 HydrophobicContact CG1-CZ 4.36Å; I177-F186 HydrophobicContact CG2-CE2 4.37Å; V184-F186 HydrophobicContact CG1-CZ 4.4Å
187	L	98.7	Very high	98.1	Very high	9 Å²	9	22 Å²	22	5%	0.047	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	110.7	179.4	-69.8	-177.1	0	0	0	110.2	F107 E108 L109 T110 F144 T169	F107-L187 HydrophobicContact CB-CD1 4.28Å; F107-L187 HydrophobicContact CB-CG 4.21Å; F107-L187 HydrophobicContact CD1-CD1 4.29Å; F107-L187 HydrophobicContact CD2-CB 4.14Å; F107-L187 HydrophobicContact CD2-CD1 3.76Å; F107-L187 HydrophobicContact CD2-CG 4.11Å; F107-L187 HydrophobicContact CE2-CD1 4.12Å; F107-L187 HydrophobicContact CG-CD1 3.85Å; F107-L187 HydrophobicContact CG-CG 4.24Å; E108-L187 PolarHBondContact O-N 3.45Å; L109-L187 CarbonylContact C-O 3.39Å; L109-L187 WeakPolarHBondContact CA-O 3.4Å; T110-L187 PolarHBondContact N-O 2.72Å; F144-L187 HydrophobicContact CB-CD1 3.78Å; F144-L187 WeakPolarHBondContact O-CD1 3.32Å; T169-L187 CarbonylContact O-C 3.56Å; T169-L187 WeakPolarHBondContact O-CA 3.42Å
188	Q	98.9	Very high	97.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	127.3	175.3	-177.6	173.1	-56.8	0	0	111.3	T110 L168 T169 D171 V190 W222 L223	T110-Q188 CarbonylContact O-C 3.57Å; T110-Q188 WeakPolarHBondContact O-CA 3.4Å; T110-Q188 VanDerWaalsContact OG1-CA 3.23Å; T110-Q188 WeakPolarHBondContact OG1-CA 3.47Å; T110-Q188 VanDerWaalsContact OG1-CB 3.31Å; T110-Q188 WeakPolarHBondContact OG1-CB 3.46Å; L168-Q188 WeakPolarHBondContact CA-O 3.44Å; T169-Q188 HydrophobicContact CG2-CB 4.05Å; T169-Q188 PolarHBondContact N-O 3.13Å; T169-Q188 PolarHBondContact O-N 2.64Å; D171-Q188 HydrophobicContact CB-CB 4.45Å; D171-Q188 PolarHBondContact OD2-OE1 3.14Å; Q188-V190 HydrophobicContact CG-CG2 4.42Å; Q188-W222 PolarHBondContact NE2-O 2.68Å; Q188-L223 PolarHBondContact NE2-O 3.2Å
189	I	98.9	Very high	97.7	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	132.2	167.3	-59.9	158.7	0	0	0	109.1	L109 T110 F111 M130 L133 M166 L168	L109-I189 HydrophobicContact CB-CD1 4.28Å; L109-I189 HydrophobicContact CD1-CD1 4.38Å; L109-I189 HydrophobicContact CD2-CD1 4.17Å; L109-I189 HydrophobicContact CD2-CG1 4.08Å; T110-I189 PolarHBondContact O-N 3.07Å; F111-I189 HydrophobicContact CB-CB 4.48Å; F111-I189 HydrophobicContact CD2-CB 3.84Å; F111-I189 HydrophobicContact CD2-CG2 3.93Å; F111-I189 WeakPolarHBondContact CD2-O 3.46Å; F111-I189 HydrophobicContact CE2-CG2 4.25Å; M130-I189 HydrophobicContact CG-CD1 3.92Å; L133-I189 HydrophobicContact CD1-CD1 3.43Å; L133-I189 VanDerWaalsContact CD1-CD1 3.43Å; L133-I189 HydrophobicContact CD1-CG1 3.83Å; M166-I189 HydrophobicContact CB-CG2 4.07Å; M166-I189 HydrophobicContact CG-CG2 3.67Å; M166-I189 HydrophobicContact SD-CG2 3.57Å; M166-I189 VanDerWaalsContact SD-CG2 3.57Å; L168-I189 HydrophobicContact CD2-CB 4.42Å; L168-I189 HydrophobicContact CD2-CG1 3.84Å
190	V	98.9	Very high	97.5	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	116.1	175.6	-175.6	0	0	0	0	108.4	M166 L167 T169 Q188 L209 M212 L223	M166-V190 CarbonylContact C-O 3.59Å; M166-V190 VanDerWaalsContact CA-O 3.28Å; M166-V190 WeakPolarHBondContact CA-O 3.24Å; L167-V190 PolarHBondContact N-O 2.84Å; L167-V190 PolarHBondContact O-N 2.88Å; T169-V190 HydrophobicContact CG2-CG2 3.84Å; Q188-V190 HydrophobicContact CG-CG2 4.42Å; V190-L209 HydrophobicContact CB-CD2 4.33Å; V190-L209 HydrophobicContact CG2-CD2 4.08Å; V190-M212 HydrophobicContact CG1-CE 3.8Å; V190-M212 HydrophobicContact CG1-SD 4.37Å; V190-L223 HydrophobicContact CG1-CB 4.18Å; V190-L223 HydrophobicContact CG2-CB 3.77Å; V190-L223 HydrophobicContact CG2-CD1 4.24Å
191	G	98.8	Very high	97.1	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.01	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	131.6	178.4	0	0	0	0	0	112	I163 H165 T225	I163-G191 VanDerWaalsContact CG2-C 3.45Å; I163-G191 VanDerWaalsContact CG2-CA 3.48Å; H165-G191 WeakPolarHBondContact O-CA 3.18Å; G191-T225 PolarHBondContact N-OG1 3.36Å
192	V	98.7	Very high	96.9	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	158.2	-178.6	-57.6	0	0	0	0	112.7	Q164 H165 L167 E196 L197 M212	Q164-V192 PolarHBondContact N-O 3.29Å; H165-V192 HydrophobicContact CB-CG2 3.76Å; H165-V192 PolarHBondContact N-O 2.93Å; H165-V192 VanDerWaalsContact N-O 3.14Å; H165-V192 PolarHBondContact O-N 3.05Å; L167-V192 HydrophobicContact CB-CG1 4.44Å; L167-V192 HydrophobicContact CD1-CG1 3.93Å; L167-V192 HydrophobicContact CG-CG1 3.83Å; L167-V192 HydrophobicContact CG-CG2 4.23Å; V192-E196 WeakPolarHBondContact CA-OE2 3.24Å; V192-E196 HydrophobicContact CB-CB 3.97Å; V192-E196 WeakPolarHBondContact CB-OE2 3.4Å; V192-L197 HydrophobicContact CG2-CB 4.22Å; V192-M212 HydrophobicContact CG1-CE 3.89Å; V192-M212 HydrophobicContact CG1-SD 3.71Å
193	C	98.5	Very high	96.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.117	C	C	.	.			trans	-76.2	166.4	171	-63.8	0	0	0	0	110.9	R162 E195 E196 L197 R229 T232	R162-C193 HydrophobicContact CG-CB 4.47Å; C193-E195 VanDerWaalsContact C-N 3.31Å; C193-E195 PolarHBondContact O-N 3.44Å; C193-E196 HydrophobicContact CB-CG 4.41Å; C193-E196 PolarHBondContact N-OE2 3.35Å; C193-E196 PolarHBondContact O-N 3.13Å; C193-L197 PolarHBondContact O-N 3.4Å; C193-R229 PolarHBondContact SG-NH2 2.92Å; C193-R229 VanDerWaalsContact SG-NH2 3.39Å; C193-T232 HydrophobicContact CB-CG2 3.87Å
194	A	96.9	Very high	96.4	Very high	39 Å²	39	19.9 Å²	19.9	32%	0.322	11%	0.106	S	C	.	.	H	α-helix	trans	-61.1	-39.1	179.5	0	0	0	0	0	112.6	E196 L197 Q198	A194-E196 VanDerWaalsContact C-N 3.34Å; A194-E196 PolarHBondContact O-N 2.87Å; A194-L197 PolarHBondContact O-N 3.48Å; A194-Q198 WeakPolarHBondContact O-CB 3.46Å; A194-Q198 PolarHBondContact O-N 3.42Å
195	E	96.3	Very high	96.1	Very high	71 Å²	71	20 Å²	20	33%	0.332	11%	0.107	S	C	.	.	H	α-helix	trans	-68.7	-34.3	-179.7	-57.7	88.1	157.6	0	0	111.9	R162 C193 Q198 A199 T232	R162-E195 IonicContact CZ-OE1 2.8Å; R162-E195 IonicContact NE-OE1 3.85Å; R162-E195 IonicContact NE-OE2 3.62Å; R162-E195 IonicContact NH2-OE1 2.59Å; R162-E195 PolarHBondContact NH2-OE1 3.18Å; R162-E195 IonicContact NH2-OE2 2.79Å; C193-E195 VanDerWaalsContact C-N 3.31Å; C193-E195 PolarHBondContact O-N 3.44Å; E195-Q198 PolarHBondContact O-N 3.41Å; E195-A199 WeakPolarHBondContact O-CB 3.3Å; E195-A199 PolarHBondContact O-N 3.49Å; E195-T232 HydrophobicContact CB-CG2 4.13Å; E195-T232 HydrophobicContact CG-CG2 4.28Å; E195-T232 WeakPolarHBondContact OE2-CG2 3.37Å
196	E	98.2	Very high	95.9	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-73.5	-39.2	176.8	-70	162.2	174.9	0	0	111.5	V192 C193 A194 Q198 A199 S200 R229 T232 I233 F234	V192-E196 WeakPolarHBondContact CA-OE2 3.24Å; V192-E196 HydrophobicContact CB-CB 3.97Å; V192-E196 WeakPolarHBondContact CB-OE2 3.4Å; C193-E196 HydrophobicContact CB-CG 4.41Å; C193-E196 PolarHBondContact N-OE2 3.35Å; C193-E196 PolarHBondContact O-N 3.13Å; A194-E196 VanDerWaalsContact C-N 3.34Å; A194-E196 PolarHBondContact O-N 2.87Å; E196-Q198 VanDerWaalsContact C-N 3.33Å; E196-A199 PolarHBondContact O-N 3.29Å; E196-S200 WeakPolarHBondContact O-CB 3.24Å; E196-S200 PolarHBondContact O-N 3.14Å; E196-R229 IonicContact OE1-CZ 3.44Å; E196-R229 IonicContact OE1-NH1 2.7Å; E196-R229 PolarHBondContact OE1-NH1 2.81Å; E196-R229 IonicContact OE1-NH2 3.54Å; E196-R229 PolarHBondContact OE1-NH2 2.93Å; E196-R229 IonicContact OE2-CZ 2.75Å; E196-R229 IonicContact OE2-NH1 3.96Å; E196-R229 PolarHBondContact OE2-NH1 3.49Å; E196-R229 IonicContact OE2-NH2 3.68Å; E196-R229 PolarHBondContact OE2-NH2 3.29Å; E196-T232 WeakPolarHBondContact OE1-CA 3.39Å; E196-I233 HydrophobicContact CG-CD1 4.22Å; E196-I233 HydrophobicContact CG-CG1 3.96Å; E196-I233 WeakPolarHBondContact OE1-CG2 3.29Å; E196-I233 PolarHBondContact OE1-N 3.23Å; E196-F234 HydrophobicContact CG-CE2 4.16Å
197	L	96.9	Very high	95.8	Very high	7 Å²	7	22.1 Å²	22.1	4%	0.037	11%	0.114	C	C	.	.	H	α-helix	trans	-59.1	-47.4	168.9	172.3	65.3	0	0	0	110.6	H149 H165 V192 C193 A194 A199 S200 Q201	H149-L197 HydrophobicContact CB-CD1 3.6Å; H165-L197 HydrophobicContact CB-CB 4.12Å; H165-L197 HydrophobicContact CB-CD2 3.86Å; H165-L197 HydrophobicContact CB-CG 4.44Å; H165-L197 VanDerWaalsContact CG-CD2 3.42Å; H165-L197 WeakPolarHBondContact ND1-CD2 3.43Å; V192-L197 HydrophobicContact CG2-CB 4.22Å; C193-L197 PolarHBondContact O-N 3.4Å; A194-L197 PolarHBondContact O-N 3.48Å; L197-A199 VanDerWaalsContact C-N 3.34Å; L197-A199 PolarHBondContact O-N 3.31Å; L197-S200 WeakPolarHBondContact O-CB 3.37Å; L197-S200 PolarHBondContact O-N 3.28Å; L197-S200 VanDerWaalsContact O-N 3.13Å; L197-Q201 HydrophobicContact CD1-CG 4.27Å; L197-Q201 WeakPolarHBondContact O-CG 3.23Å; L197-Q201 PolarHBondContact O-N 2.84Å
198	Q	92.8	Very high	95.8	Very high	102 Å²	102	21.7 Å²	21.7	48%	0.477	11%	0.112	S	C	.	.	H	α-helix	trans	-59.3	-45.9	179	-177.6	-177	-21.8	0	0	111	A194 E195 E196 S200 Q201 Q202	A194-Q198 WeakPolarHBondContact O-CB 3.46Å; A194-Q198 PolarHBondContact O-N 3.42Å; E195-Q198 PolarHBondContact O-N 3.41Å; E196-Q198 VanDerWaalsContact C-N 3.33Å; Q198-S200 VanDerWaalsContact C-N 3.3Å; Q198-S200 PolarHBondContact O-N 3.49Å; Q198-Q201 PolarHBondContact O-N 3.2Å; Q198-Q201 VanDerWaalsContact O-N 3.16Å; Q198-Q202 VanDerWaalsContact NE2-NE2 3.15Å; Q198-Q202 WeakPolarHBondContact O-CG 3.29Å; Q198-Q202 PolarHBondContact O-N 2.94Å
199	A	94.8	Very high	95.8	Very high	3 Å²	3	21.7 Å²	21.7	3%	0.025	11%	0.112	C	C	.	.	H	α-helix	trans	-61.9	-37.7	176	0	0	0	0	0	112.2	E195 E196 L197 Q201 Q202 W203 I208 F234	E195-A199 WeakPolarHBondContact O-CB 3.3Å; E195-A199 PolarHBondContact O-N 3.49Å; E196-A199 PolarHBondContact O-N 3.29Å; L197-A199 VanDerWaalsContact C-N 3.34Å; L197-A199 PolarHBondContact O-N 3.31Å; A199-Q201 VanDerWaalsContact C-N 3.34Å; A199-Q201 PolarHBondContact O-N 3.03Å; A199-Q202 PolarHBondContact O-N 3.26Å; A199-W203 PolarHBondContact O-N 3.32Å; A199-I208 HydrophobicContact CB-CD1 3.7Å; A199-I208 HydrophobicContact CB-CG1 4.33Å; A199-F234 HydrophobicContact CB-CE2 3.77Å; A199-F234 HydrophobicContact CB-CZ 3.43Å; A199-F234 VanDerWaalsContact CB-CZ 3.43Å
200	S	94.2	Very high	95.7	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.014	14%	0.139	C	C	.	.	H	α-helix	trans	-64.8	-36.2	174.5	172.9	0	0	0	0	112.7	L167 E196 L197 Q198 N204 G205	L167-S200 WeakPolarHBondContact CD2-OG 3.13Å; E196-S200 WeakPolarHBondContact O-CB 3.24Å; E196-S200 PolarHBondContact O-N 3.14Å; L197-S200 WeakPolarHBondContact O-CB 3.37Å; L197-S200 PolarHBondContact O-N 3.28Å; L197-S200 VanDerWaalsContact O-N 3.13Å; Q198-S200 VanDerWaalsContact C-N 3.3Å; Q198-S200 PolarHBondContact O-N 3.49Å; S200-N204 CarbonylContact O-C 3.59Å; S200-N204 VanDerWaalsContact O-CA 3.29Å; S200-N204 WeakPolarHBondContact O-CA 3.38Å; S200-N204 PolarHBondContact O-N 3.07Å; S200-G205 WeakPolarHBondContact OG-CA 3.41Å; S200-G205 PolarHBondContact OG-N 3.06Å
201	Q	89	Confident	95.6	Very high	59 Å²	59	28.4 Å²	28.4	28%	0.276	14%	0.144	S	C	.	.	H	α-helix	trans	-72.1	-37.6	176.8	-72.7	172.8	-22.7	0	0	111.3	H149 L197 Q198 A199 L256	H149-Q201 PolarHBondContact NE2-NE2 2.91Å; L197-Q201 HydrophobicContact CD1-CG 4.27Å; L197-Q201 WeakPolarHBondContact O-CG 3.23Å; L197-Q201 PolarHBondContact O-N 2.84Å; Q198-Q201 PolarHBondContact O-N 3.2Å; Q198-Q201 VanDerWaalsContact O-N 3.16Å; A199-Q201 VanDerWaalsContact C-N 3.34Å; A199-Q201 PolarHBondContact O-N 3.03Å; Q201-L256 WeakPolarHBondContact O-CB 3.45Å; Q201-L256 PolarHBondContact O-N 3.44Å
202	Q	91.8	Very high	95.6	Very high	34 Å²	34	28.4 Å²	28.4	16%	0.159	14%	0.143	C	C	.	.	H	α-helix	trans	-74.4	-40.8	179.2	-69.6	180	-4.5	0	0	112.8	Q198 A199 S254 L370	Q198-Q202 VanDerWaalsContact NE2-NE2 3.15Å; Q198-Q202 WeakPolarHBondContact O-CG 3.29Å; Q198-Q202 PolarHBondContact O-N 2.94Å; A199-Q202 PolarHBondContact O-N 3.26Å; Q202-S254 WeakPolarHBondContact O-CA 3.24Å; Q202-S254 WeakPolarHBondContact O-CB 3.32Å; Q202-S254 PolarHBondContact O-OG 3.32Å; Q202-L370 HydrophobicContact CB-CD1 4.45Å; Q202-L370 HydrophobicContact CB-CD2 4.06Å; Q202-L370 HydrophobicContact CG-CD2 3.87Å
203	W	94.8	Very high	95.5	Very high	19 Å²	19	31.5 Å²	31.5	7%	0.072	16%	0.155	C	C	.	.	S	Bend	trans	-98.8	-97.3	176.7	-179.6	25.4	0	0	0	110.6	A199 G207 I208 L211 V245 G248 I249 E252 N255	A199-W203 PolarHBondContact O-N 3.32Å; W203-G207 VanDerWaalsContact CZ3-C 3.45Å; W203-I208 HydrophobicContact CE3-CD1 4.03Å; W203-I208 HydrophobicContact CZ3-CD1 4.48Å; W203-L211 HydrophobicContact CZ3-CD1 4.25Å; W203-L211 HydrophobicContact CZ3-CG 4.45Å; W203-V245 HydrophobicContact CB-CG1 4.14Å; W203-V245 HydrophobicContact CE3-CB 4.4Å; W203-V245 HydrophobicContact CE3-CG1 4.38Å; W203-V245 HydrophobicContact CE3-CG2 4.14Å; W203-V245 HydrophobicContact CZ3-CG2 4.44Å; W203-G248 PolarHBondContact NE1-O 3.35Å; W203-I249 HydrophobicContact CB-CD1 4.03Å; W203-I249 HydrophobicContact CB-CG1 3.59Å; W203-I249 HydrophobicContact CG-CG1 3.86Å; W203-E252 PolarHBondContact NE1-OE2 3.16Å; W203-N255 WeakPolarHBondContact O-CB 3.42Å; W203-N255 PolarHBondContact O-N 3.21Å
204	N	91.4	Very high	95.4	Very high	22 Å²	22	34.8 Å²	34.8	12%	0.118	19%	0.189	C	C	.	.			trans	-161.2	159.5	169.4	61.1	65.4	0	0	0	110	S200 Q206 G207 I208 E252 N255	S200-N204 CarbonylContact O-C 3.59Å; S200-N204 VanDerWaalsContact O-CA 3.29Å; S200-N204 WeakPolarHBondContact O-CA 3.38Å; S200-N204 PolarHBondContact O-N 3.07Å; N204-Q206 PolarHBondContact OD1-N 3.45Å; N204-G207 PolarHBondContact OD1-N 3.14Å; N204-I208 PolarHBondContact O-N 3.22Å; N204-E252 PolarHBondContact ND2-OE2 3.37Å; N204-N255 WeakPolarHBondContact CB-ND2 3.35Å
205	G	92.8	Very high	95.3	Very high	2 Å²	2	34 Å²	34	2%	0.021	18%	0.179	C	C	.	.	H	α-helix	trans	-69	-33.2	-177.2	0	0	0	0	0	114.2	G147 S200 G207 I208 L209	G147-G205 WeakPolarHBondContact O-CA 3.24Å; S200-G205 WeakPolarHBondContact OG-CA 3.41Å; S200-G205 PolarHBondContact OG-N 3.06Å; G205-G207 PolarHBondContact O-N 2.55Å; G205-I208 PolarHBondContact O-N 3.14Å; G205-L209 WeakPolarHBondContact O-CB 3.2Å; G205-L209 WeakPolarHBondContact O-CD1 3.16Å; G205-L209 WeakPolarHBondContact O-CG 3.4Å; G205-L209 PolarHBondContact O-N 3.29Å
206	Q	94.9	Very high	95.2	Very high	86 Å²	86	35.3 Å²	35.3	40%	0.402	18%	0.184	S	C	.	.	H	α-helix	trans	-61.9	-44.1	178.5	-68.9	-61.9	-17.8	0	0	112.1	S146 G147 N204 I208 L209 E210	S146-Q206 PolarHBondContact O-NE2 3.48Å; S146-Q206 PolarHBondContact OG-NE2 2.77Å; G147-Q206 VanDerWaalsContact N-NE2 3.17Å; N204-Q206 PolarHBondContact OD1-N 3.45Å; Q206-I208 PolarHBondContact O-N 3.13Å; Q206-L209 PolarHBondContact O-N 2.97Å; Q206-E210 PolarHBondContact O-N 2.85Å
207	G	96.6	Very high	94.9	Very high	8 Å²	8	38.8 Å²	38.8	8%	0.082	21%	0.205	C	C	.	.	H	α-helix	trans	-57.7	-49.2	175.8	0	0	0	0	0	111.9	W203 N204 G205 L209 E210 L211	W203-G207 VanDerWaalsContact CZ3-C 3.45Å; N204-G207 PolarHBondContact OD1-N 3.14Å; G205-G207 PolarHBondContact O-N 2.55Å; G207-L209 PolarHBondContact O-N 3.49Å; G207-E210 PolarHBondContact O-N 3.01Å; G207-L211 WeakPolarHBondContact O-CG 3.31Å; G207-L211 PolarHBondContact O-N 3.14Å
208	I	98.2	Very high	94.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-64.9	-41.5	178.5	-58.9	-53.3	0	0	0	112.1	L167 A199 W203 N204 G205 Q206 E210 L211 M212 I233 F234 V245	L167-I208 HydrophobicContact CD1-CB 4.19Å; L167-I208 HydrophobicContact CD1-CG2 3.89Å; A199-I208 HydrophobicContact CB-CD1 3.7Å; A199-I208 HydrophobicContact CB-CG1 4.33Å; W203-I208 HydrophobicContact CE3-CD1 4.03Å; W203-I208 HydrophobicContact CZ3-CD1 4.48Å; N204-I208 PolarHBondContact O-N 3.22Å; G205-I208 PolarHBondContact O-N 3.14Å; Q206-I208 PolarHBondContact O-N 3.13Å; I208-E210 VanDerWaalsContact C-N 3.28Å; I208-E210 PolarHBondContact O-N 3.26Å; I208-L211 HydrophobicContact CD1-CD1 4.3Å; I208-L211 PolarHBondContact O-N 3.13Å; I208-M212 HydrophobicContact CG2-CG 4.43Å; I208-M212 HydrophobicContact CG2-SD 4.28Å; I208-M212 WeakPolarHBondContact O-CG 3.36Å; I208-M212 PolarHBondContact O-N 2.83Å; I208-I233 HydrophobicContact CG2-CD1 4.25Å; I208-F234 HydrophobicContact CD1-CZ 4.38Å; I208-V245 HydrophobicContact CD1-CG2 4.01Å
209	L	98.3	Very high	94.9	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-58	-42.3	174.7	-71.8	162.4	0	0	0	111.1	L167 T169 V190 G205 Q206 G207 M212 R213 L223	L167-L209 HydrophobicContact CB-CD2 3.92Å; L167-L209 HydrophobicContact CB-CG 4.38Å; L167-L209 HydrophobicContact CD1-CD2 4.11Å; L167-L209 HydrophobicContact CD1-CG 4.05Å; T169-L209 HydrophobicContact CG2-CD2 4.32Å; V190-L209 HydrophobicContact CB-CD2 4.33Å; V190-L209 HydrophobicContact CG2-CD2 4.08Å; G205-L209 WeakPolarHBondContact O-CB 3.2Å; G205-L209 WeakPolarHBondContact O-CD1 3.16Å; G205-L209 WeakPolarHBondContact O-CG 3.4Å; G205-L209 PolarHBondContact O-N 3.29Å; Q206-L209 PolarHBondContact O-N 2.97Å; G207-L209 PolarHBondContact O-N 3.49Å; L209-M212 PolarHBondContact O-N 2.94Å; L209-R213 WeakPolarHBondContact O-CG 3.45Å; L209-R213 PolarHBondContact O-N 3.46Å; L209-L223 HydrophobicContact CB-CD1 4.35Å; L209-L223 HydrophobicContact CD2-CD1 3.77Å
210	E	97.4	Very high	95	Very high	123 Å²	123	33.9 Å²	33.9	58%	0.575	18%	0.184	S	C	*	.	H	α-helix	trans	-65.3	-40.4	177	-171.7	58.2	-155.1	0	0	112.3	Q206 G207 I208 M212 R213 G214	Q206-E210 PolarHBondContact O-N 2.85Å; G207-E210 PolarHBondContact O-N 3.01Å; I208-E210 VanDerWaalsContact C-N 3.28Å; I208-E210 PolarHBondContact O-N 3.26Å; E210-M212 VanDerWaalsContact C-N 3.33Å; E210-M212 PolarHBondContact O-N 2.79Å; E210-R213 WeakPolarHBondContact O-CB 3.17Å; E210-R213 PolarHBondContact O-N 3.11Å; E210-R213 IonicContact OE2-NE 3.98Å; E210-G214 PolarHBondContact O-N 3.28Å
211	L	97.6	Very high	95.2	Very high	18 Å²	18	36.3 Å²	36.3	9%	0.094	20%	0.199	C	C	.	.	H	α-helix	trans	-61.1	-43.5	173.3	-60.5	-172.4	0	0	0	111.5	W203 G207 I208 R213 G214 I233 L240 R244 V245	W203-L211 HydrophobicContact CZ3-CD1 4.25Å; W203-L211 HydrophobicContact CZ3-CG 4.45Å; G207-L211 WeakPolarHBondContact O-CG 3.31Å; G207-L211 PolarHBondContact O-N 3.14Å; I208-L211 HydrophobicContact CD1-CD1 4.3Å; I208-L211 PolarHBondContact O-N 3.13Å; L211-R213 VanDerWaalsContact C-N 3.29Å; L211-R213 PolarHBondContact O-N 3.03Å; L211-G214 PolarHBondContact O-N 3.42Å; L211-G214 VanDerWaalsContact O-N 3.16Å; L211-I233 HydrophobicContact CB-CD1 4.12Å; L211-I233 HydrophobicContact CD1-CD1 4.45Å; L211-L240 HydrophobicContact CD1-CB 4.39Å; L211-L240 HydrophobicContact CD2-CD2 4.18Å; L211-R244 HydrophobicContact CD1-CB 4.19Å; L211-R244 HydrophobicContact CD2-CB 3.83Å; L211-R244 HydrophobicContact CD2-CG 3.97Å; L211-V245 HydrophobicContact CD1-CG2 3.87Å
212	M	97.9	Very high	95.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64.1	-32.3	177.1	-69.2	-179.2	74	0	0	112.6	V190 V192 I208 L209 E210 G214 I215 A218 G220 L223 I233	V190-M212 HydrophobicContact CG1-CE 3.8Å; V190-M212 HydrophobicContact CG1-SD 4.37Å; V192-M212 HydrophobicContact CG1-CE 3.89Å; V192-M212 HydrophobicContact CG1-SD 3.71Å; I208-M212 HydrophobicContact CG2-CG 4.43Å; I208-M212 HydrophobicContact CG2-SD 4.28Å; I208-M212 WeakPolarHBondContact O-CG 3.36Å; I208-M212 PolarHBondContact O-N 2.83Å; L209-M212 PolarHBondContact O-N 2.94Å; E210-M212 VanDerWaalsContact C-N 3.33Å; E210-M212 PolarHBondContact O-N 2.79Å; M212-G214 PolarHBondContact O-N 3.23Å; M212-I215 PolarHBondContact O-N 3.28Å; M212-I215 VanDerWaalsContact O-N 3.1Å; M212-I215 VanDerWaalsContact O-O 3.13Å; M212-A218 HydrophobicContact CE-CB 4.34Å; M212-A218 WeakPolarHBondContact CE-O 3.38Å; M212-A218 HydrophobicContact CG-CB 4.49Å; M212-G220 PolarHBondContact O-N 2.77Å; M212-L223 HydrophobicContact CB-CD2 3.56Å; M212-I233 HydrophobicContact CG-CD1 4.32Å; M212-I233 HydrophobicContact CG-CG2 3.89Å
213	R	97.2	Very high	96	Very high	65 Å²	65	33 Å²	33	25%	0.245	18%	0.183	C	C	.	.	H	α-helix	trans	-61.6	-32.8	174.8	-72.9	-178.7	-162.5	-79.8	0.1	112.4	T169 L209 E210 L211 I215 G220 P221 L223	T169-R213 PolarHBondContact OG1-NH2 2.72Å; L209-R213 WeakPolarHBondContact O-CG 3.45Å; L209-R213 PolarHBondContact O-N 3.46Å; E210-R213 WeakPolarHBondContact O-CB 3.17Å; E210-R213 PolarHBondContact O-N 3.11Å; E210-R213 IonicContact OE2-NE 3.98Å; L211-R213 VanDerWaalsContact C-N 3.29Å; L211-R213 PolarHBondContact O-N 3.03Å; R213-I215 VanDerWaalsContact C-N 3.28Å; R213-I215 PolarHBondContact O-N 2.85Å; R213-G220 WeakPolarHBondContact CA-O 3.21Å; R213-G220 CarbonylContact O-C 3.53Å; R213-G220 VanDerWaalsContact O-C 3.32Å; R213-G220 WeakPolarHBondContact O-CA 3.34Å; R213-P221 PolarHBondContact NH1-O 3.25Å; R213-L223 HydrophobicContact CG-CD1 4.05Å; R213-L223 HydrophobicContact CG-CD2 3.83Å; R213-L223 HydrophobicContact CG-CG 3.85Å
214	G	94.8	Very high	96.2	Very high	69 Å²	69	32.2 Å²	32.2	71%	0.711	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-14.4	176.3	0	0	0	0	0	114.6	E210 L211 M212	E210-G214 PolarHBondContact O-N 3.28Å; L211-G214 PolarHBondContact O-N 3.42Å; L211-G214 VanDerWaalsContact O-N 3.16Å; M212-G214 PolarHBondContact O-N 3.23Å
215	I	95.7	Very high	96.5	Very high	23 Å²	23	31.2 Å²	31.2	12%	0.118	18%	0.175	C	C	.	.			trans	-117.7	106.9	-172.5	-56.3	171.1	0	0	0	110.1	M212 R213 V217 A218 G219 G220 I233 I236 L240	M212-I215 PolarHBondContact O-N 3.28Å; M212-I215 VanDerWaalsContact O-N 3.1Å; M212-I215 VanDerWaalsContact O-O 3.13Å; R213-I215 VanDerWaalsContact C-N 3.28Å; R213-I215 PolarHBondContact O-N 2.85Å; I215-V217 VanDerWaalsContact C-N 3.32Å; I215-V217 HydrophobicContact CG2-CG2 3.89Å; I215-V217 PolarHBondContact O-N 2.66Å; I215-A218 HydrophobicContact CB-CB 3.9Å; I215-A218 HydrophobicContact CG2-CB 3.78Å; I215-A218 PolarHBondContact O-N 2.85Å; I215-G219 PolarHBondContact O-N 3.38Å; I215-G219 VanDerWaalsContact O-N 3.12Å; I215-G220 PolarHBondContact O-N 2.98Å; I215-I233 HydrophobicContact CD1-CB 3.51Å; I215-I233 HydrophobicContact CD1-CG2 3.62Å; I215-I236 HydrophobicContact CG2-CD1 4.05Å; I215-I236 HydrophobicContact CG2-CG2 4.2Å; I215-L240 HydrophobicContact CD1-CD1 3.49Å; I215-L240 VanDerWaalsContact CD1-CD1 3.49Å
216	K	93.1	Very high	96.8	Very high	98 Å²	98	31.9 Å²	31.9	43%	0.426	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-47	-176.1	-174.5	-175.9	-168.1	151.9	0	114.1	D72 A218	D72-K216 WeakPolarHBondContact OD1-CE 3.38Å; D72-K216 IonicContact OD1-NZ 3.44Å; D72-K216 PolarHBondContact OD1-NZ 2.78Å; D72-K216 VanDerWaalsContact OD2-CD 3.22Å; D72-K216 WeakPolarHBondContact OD2-CD 3.33Å; D72-K216 VanDerWaalsContact OD2-CE 3.22Å; D72-K216 WeakPolarHBondContact OD2-CE 3.48Å; D72-K216 IonicContact OD2-NZ 3.63Å; D72-K216 PolarHBondContact OD2-NZ 2.77Å; K216-A218 VanDerWaalsContact C-N 3.32Å; K216-A218 PolarHBondContact O-N 3.33Å
217	V	93.7	Very high	97	Very high	74 Å²	74	28 Å²	28	45%	0.448	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-19.8	-175.9	-62.7	0	0	0	0	113.3	I215 R229 I236	I215-V217 VanDerWaalsContact C-N 3.32Å; I215-V217 HydrophobicContact CG2-CG2 3.89Å; I215-V217 PolarHBondContact O-N 2.66Å; V217-R229 WeakPolarHBondContact O-CD 3.26Å; V217-I236 HydrophobicContact CG2-CD1 3.48Å; V217-I236 VanDerWaalsContact CG2-CD1 3.48Å
218	A	95.5	Very high	97	Very high	2 Å²	2	33.7 Å²	33.7	2%	0.017	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-22.8	177.9	0	0	0	0	0	112.7	M212 I215 K216 R229 I233	M212-A218 HydrophobicContact CE-CB 4.34Å; M212-A218 WeakPolarHBondContact CE-O 3.38Å; M212-A218 HydrophobicContact CG-CB 4.49Å; I215-A218 HydrophobicContact CB-CB 3.9Å; I215-A218 HydrophobicContact CG2-CB 3.78Å; I215-A218 PolarHBondContact O-N 2.85Å; K216-A218 VanDerWaalsContact C-N 3.32Å; K216-A218 PolarHBondContact O-N 3.33Å; A218-R229 VanDerWaalsContact CB-NH1 3.31Å; A218-I233 HydrophobicContact CB-CG2 3.56Å
219	G	94	Very high	97	Very high	3 Å²	3	34.5 Å²	34.5	3%	0.031	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	173.4	-41.7	179.7	0	0	0	0	0	112.9	I215 L223 I224	I215-G219 PolarHBondContact O-N 3.38Å; I215-G219 VanDerWaalsContact O-N 3.12Å; G219-L223 WeakPolarHBondContact O-CA 3.28Å; G219-L223 PolarHBondContact O-N 3.5Å; G219-I224 WeakPolarHBondContact CA-O 3.22Å; G219-I224 PolarHBondContact O-N 3.04Å
220	G	97	Very high	96.9	Very high	4 Å²	4	36.9 Å²	36.9	4%	0.041	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	-168.1	-170.9	0	0	0	0	0	112.3	M212 R213 I215 W222 L223	M212-G220 PolarHBondContact O-N 2.77Å; R213-G220 WeakPolarHBondContact CA-O 3.21Å; R213-G220 CarbonylContact O-C 3.53Å; R213-G220 VanDerWaalsContact O-C 3.32Å; R213-G220 WeakPolarHBondContact O-CA 3.34Å; I215-G220 PolarHBondContact O-N 2.98Å; G220-W222 PolarHBondContact O-N 2.79Å; G220-L223 PolarHBondContact O-N 3.05Å
221	P	97.5	Very high	96.9	Very high	53 Å²	53	36.5 Å²	36.5	34%	0.344	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-28.5	-170.7	-30	37.8	0	0	0	114.8	V73 R213	V73-P221 HydrophobicContact CG2-CB 4.38Å; R213-P221 PolarHBondContact NH1-O 3.25Å
222	W	98.5	Very high	97	Very high	23 Å²	23	35.8 Å²	35.8	9%	0.087	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	8.7	179.1	-67.4	8.5	0	0	0	113.9	C68 V73 H76 P172 Q173 Q188 G220 I224	C68-W222 HydrophobicContact CB-CH2 4.09Å; C68-W222 HydrophobicContact CB-CZ2 4.01Å; V73-W222 HydrophobicContact CB-CD2 4.34Å; V73-W222 HydrophobicContact CG1-CB 4.25Å; V73-W222 HydrophobicContact CG1-CD2 3.62Å; V73-W222 HydrophobicContact CG1-CE3 3.45Å; V73-W222 VanDerWaalsContact CG1-CE3 3.45Å; V73-W222 HydrophobicContact CG1-CG 4.02Å; V73-W222 HydrophobicContact CG1-CH2 4.41Å; V73-W222 HydrophobicContact CG1-CZ3 3.86Å; V73-W222 HydrophobicContact CG2-CB 4.43Å; V73-W222 HydrophobicContact CG2-CD2 3.92Å; V73-W222 HydrophobicContact CG2-CG 3.85Å; H76-W222 AromaticContact CE1-CE3 3.58Å; H76-W222 AromaticContact CE1-CZ3 3.75Å; H76-W222 AromaticContact NE2-CE3 3.99Å; P172-W222 HydrophobicContact CB-CG 4.2Å; P172-W222 HydrophobicContact CG-CB 3.85Å; P172-W222 HydrophobicContact CG-CD2 4.4Å; P172-W222 HydrophobicContact CG-CG 3.84Å; Q173-W222 VanDerWaalsContact CD-CH2 3.41Å; Q173-W222 HydrophobicContact CG-CD2 4.35Å; Q173-W222 HydrophobicContact CG-CE3 4.28Å; Q173-W222 HydrophobicContact CG-CH2 4.17Å; Q173-W222 HydrophobicContact CG-CZ2 4.15Å; Q173-W222 HydrophobicContact CG-CZ3 4.21Å; Q173-W222 VanDerWaalsContact OE1-CZ3 3.24Å; Q188-W222 PolarHBondContact NE2-O 2.68Å; G220-W222 PolarHBondContact O-N 2.79Å; W222-I224 VanDerWaalsContact C-N 3.32Å; W222-I224 HydrophobicContact CB-CG1 4.32Å; W222-I224 PolarHBondContact O-N 3.12Å
223	L	98.7	Very high	97	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	51	48.5	175	-64.6	169.8	0	0	0	113.3	T169 Q188 V190 L209 M212 R213 G219 G220 T225	T169-L223 HydrophobicContact CG2-CD1 3.82Å; Q188-L223 PolarHBondContact NE2-O 3.2Å; V190-L223 HydrophobicContact CG1-CB 4.18Å; V190-L223 HydrophobicContact CG2-CB 3.77Å; V190-L223 HydrophobicContact CG2-CD1 4.24Å; L209-L223 HydrophobicContact CB-CD1 4.35Å; L209-L223 HydrophobicContact CD2-CD1 3.77Å; M212-L223 HydrophobicContact CB-CD2 3.56Å; R213-L223 HydrophobicContact CG-CD1 4.05Å; R213-L223 HydrophobicContact CG-CD2 3.83Å; R213-L223 HydrophobicContact CG-CG 3.85Å; G219-L223 WeakPolarHBondContact O-CA 3.28Å; G219-L223 PolarHBondContact O-N 3.5Å; G220-L223 PolarHBondContact O-N 3.05Å; L223-T225 PolarHBondContact O-N 3.45Å
224	I	98.8	Very high	97	Very high	3 Å²	3	34 Å²	34	2%	0.015	20%	0.195	C	C	.	.			trans	-72.6	123	178.5	-62.4	166.7	0	0	0	109.2	V73 Q74 H76 R112 K114 G219 W222 D226	V73-I224 HydrophobicContact CG1-CD1 3.72Å; Q74-I224 HydrophobicContact CG-CD1 3.88Å; Q74-I224 WeakPolarHBondContact O-CD1 3.19Å; H76-I224 HydrophobicContact CB-CD1 4.16Å; H76-I224 HydrophobicContact CB-CG1 4.39Å; H76-I224 HydrophobicContact CB-CG2 3.86Å; H76-I224 VanDerWaalsContact ND1-CD1 3.32Å; H76-I224 WeakPolarHBondContact ND1-CD1 3.43Å; R112-I224 HydrophobicContact CB-CB 4.48Å; R112-I224 HydrophobicContact CB-CG1 4.16Å; K114-I224 HydrophobicContact CB-CG2 3.87Å; G219-I224 WeakPolarHBondContact CA-O 3.22Å; G219-I224 PolarHBondContact O-N 3.04Å; W222-I224 VanDerWaalsContact C-N 3.32Å; W222-I224 HydrophobicContact CB-CG1 4.32Å; W222-I224 PolarHBondContact O-N 3.12Å; I224-D226 PolarHBondContact O-N 3.16Å
225	T	98.9	Very high	97.1	Very high	1 Å²	1	35 Å²	35	1%	0.006	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-76.5	126.1	177.7	-57.6	0	0	0	0	110.5	F111 R112 K114 I163 G191 L223 M227	F111-T225 HydrophobicContact CE2-CG2 4.08Å; F111-T225 WeakPolarHBondContact CE2-OG1 3.15Å; F111-T225 HydrophobicContact CZ-CG2 4.02Å; R112-T225 WeakPolarHBondContact O-CB 3.36Å; R112-T225 PolarHBondContact O-N 3.1Å; K114-T225 PolarHBondContact N-O 3.34Å; I163-T225 HydrophobicContact CG2-CG2 4.2Å; G191-T225 PolarHBondContact N-OG1 3.36Å; L223-T225 PolarHBondContact O-N 3.45Å; T225-M227 HydrophobicContact CG2-SD 3.8Å
226	D	98.5	Very high	97.1	Very high	15 Å²	15	36.8 Å²	36.8	8%	0.08	19%	0.191	C	C	.	.			trans	-109.5	106.5	170.9	-176.3	-9.9	0	0	0	109.4	K114 I224 R228 R229	K114-D226 HydrophobicContact CB-CB 4.26Å; K114-D226 HydrophobicContact CD-CB 3.86Å; K114-D226 VanDerWaalsContact CD-CG 3.43Å; K114-D226 WeakPolarHBondContact CD-OD2 3.09Å; K114-D226 IonicContact NZ-OD2 2.71Å; K114-D226 PolarHBondContact NZ-OD2 3.2Å; I224-D226 PolarHBondContact O-N 3.16Å; D226-R228 PolarHBondContact O-N 3.13Å; D226-R228 VanDerWaalsContact O-N 3.14Å; D226-R228 WeakPolarHBondContact OD1-CA 3.38Å; D226-R228 VanDerWaalsContact OD1-CB 3.29Å; D226-R228 WeakPolarHBondContact OD1-CB 3.27Å; D226-R228 PolarHBondContact OD1-N 3.16Å; D226-R229 HydrophobicContact CB-CB 4.42Å; D226-R229 WeakPolarHBondContact O-CB 3.38Å; D226-R229 PolarHBondContact O-N 2.88Å; D226-R229 VanDerWaalsContact O-N 3.14Å
227	M	98.4	Very high	97.2	Very high	4 Å²	4	34.9 Å²	34.9	2%	0.02	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-8.2	179.8	-62.6	-56.1	-61.4	0	0	113.2	L113 W125 L156 D157 S161 I163 T225	L113-M227 HydrophobicContact CD1-CG 3.74Å; W125-M227 HydrophobicContact CH2-CG 4.1Å; W125-M227 HydrophobicContact CH2-SD 4.13Å; W125-M227 HydrophobicContact CZ2-CG 3.88Å; L156-M227 HydrophobicContact CB-CE 3.69Å; L156-M227 HydrophobicContact CB-SD 4.19Å; L156-M227 HydrophobicContact CD1-SD 4.31Å; L156-M227 HydrophobicContact CG-CE 4.18Å; D157-M227 HydrophobicContact CB-CE 4.17Å; D157-M227 WeakPolarHBondContact OD1-CE 3.35Å; S161-M227 WeakPolarHBondContact CB-O 3.44Å; S161-M227 PolarHBondContact OG-O 3.39Å; I163-M227 HydrophobicContact CB-CE 3.79Å; I163-M227 HydrophobicContact CB-SD 3.92Å; I163-M227 HydrophobicContact CG1-SD 4.35Å; I163-M227 HydrophobicContact CG2-CE 4.15Å; I163-M227 HydrophobicContact CG2-SD 3.85Å; T225-M227 HydrophobicContact CG2-SD 3.8Å
228	R	97.5	Very high	97.2	Very high	129 Å²	129	35.6 Å²	35.6	49%	0.487	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-2.3	176.6	-50.4	-63.4	78	100.2	-9.1	112.6	E116 D157 S159 D226 G230	E116-R228 VanDerWaalsContact OE1-CG 3.29Å; E116-R228 WeakPolarHBondContact OE1-CG 3.5Å; D157-R228 IonicContact OD1-NH2 3.57Å; D157-R228 IonicContact OD2-CZ 3.84Å; D157-R228 IonicContact OD2-NH1 3.49Å; D157-R228 IonicContact OD2-NH2 2.92Å; D157-R228 PolarHBondContact OD2-NH2 3.28Å; S159-R228 PolarHBondContact OG-NH2 2.84Å; D226-R228 PolarHBondContact O-N 3.13Å; D226-R228 VanDerWaalsContact O-N 3.14Å; D226-R228 WeakPolarHBondContact OD1-CA 3.38Å; D226-R228 VanDerWaalsContact OD1-CB 3.29Å; D226-R228 WeakPolarHBondContact OD1-CB 3.27Å; D226-R228 PolarHBondContact OD1-N 3.16Å; R228-G230 PolarHBondContact O-N 3.21Å
229	R	97.8	Very high	97	Very high	17 Å²	17	40.7 Å²	40.7	6%	0.064	21%	0.214	C	C	.	.			trans	-62.2	119.5	175.3	-175.7	179.7	66	147.3	2.8	110.3	I163 C193 E196 V217 A218 D226 E231	I163-R229 HydrophobicContact CD1-CB 4.4Å; C193-R229 PolarHBondContact SG-NH2 2.92Å; C193-R229 VanDerWaalsContact SG-NH2 3.39Å; E196-R229 IonicContact OE1-CZ 3.44Å; E196-R229 IonicContact OE1-NH1 2.7Å; E196-R229 PolarHBondContact OE1-NH1 2.81Å; E196-R229 IonicContact OE1-NH2 3.54Å; E196-R229 PolarHBondContact OE1-NH2 2.93Å; E196-R229 IonicContact OE2-CZ 2.75Å; E196-R229 IonicContact OE2-NH1 3.96Å; E196-R229 PolarHBondContact OE2-NH1 3.49Å; E196-R229 IonicContact OE2-NH2 3.68Å; E196-R229 PolarHBondContact OE2-NH2 3.29Å; V217-R229 WeakPolarHBondContact O-CD 3.26Å; A218-R229 VanDerWaalsContact CB-NH1 3.31Å; D226-R229 HydrophobicContact CB-CB 4.42Å; D226-R229 WeakPolarHBondContact O-CB 3.38Å; D226-R229 PolarHBondContact O-N 2.88Å; D226-R229 VanDerWaalsContact O-N 3.14Å; R229-E231 WeakPolarHBondContact CD-O 3.43Å; R229-E231 VanDerWaalsContact CG-O 3.26Å; R229-E231 WeakPolarHBondContact CG-O 3.5Å
230	G	97	Very high	97	Very high	51 Å²	51	41.4 Å²	41.4	53%	0.526	22%	0.217	S	C	.	.			trans	-96	-16.2	179.9	0	0	0	0	0	114.6	R162 R228	R162-G230 VanDerWaalsContact CD-O 3.32Å; R162-G230 WeakPolarHBondContact CD-O 3.47Å; R162-G230 PolarHBondContact NH1-O 3.38Å; R228-G230 PolarHBondContact O-N 3.21Å
231	E	97.8	Very high	96.6	Very high	114 Å²	114	44.2 Å²	44.2	53%	0.533	23%	0.229	S	C	.	.	S	Bend	trans	-116.5	145.1	-174.5	-64.7	174.2	119.2	0	0	111.5	R229 E235 I236	R229-E231 WeakPolarHBondContact CD-O 3.43Å; R229-E231 VanDerWaalsContact CG-O 3.26Å; R229-E231 WeakPolarHBondContact CG-O 3.5Å; E231-E235 WeakPolarHBondContact CA-OE2 3.49Å; E231-E235 HydrophobicContact CB-CB 4.28Å; E231-I236 HydrophobicContact CB-CD1 4.35Å; E231-I236 HydrophobicContact CB-CG1 3.98Å
232	T	98.1	Very high	95.9	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.018	25%	0.247	C	C	.	.			trans	-77.8	163	172.7	71.1	0	0	0	0	111	C193 E195 E196 F234 E235 I236	C193-T232 HydrophobicContact CB-CG2 3.87Å; E195-T232 HydrophobicContact CB-CG2 4.13Å; E195-T232 HydrophobicContact CG-CG2 4.28Å; E195-T232 WeakPolarHBondContact OE2-CG2 3.37Å; E196-T232 WeakPolarHBondContact OE1-CA 3.39Å; T232-F234 PolarHBondContact O-N 3.03Å; T232-F234 PolarHBondContact OG1-N 3.49Å; T232-E235 PolarHBondContact N-OE2 3.34Å; T232-E235 PolarHBondContact O-N 3.47Å; T232-E235 WeakPolarHBondContact OG1-CG 3.1Å; T232-E235 PolarHBondContact OG1-N 3.37Å; T232-E235 VanDerWaalsContact OG1-N 3.15Å; T232-I236 WeakPolarHBondContact O-CD1 3.16Å; T232-I236 WeakPolarHBondContact O-CG1 3.42Å; T232-I236 PolarHBondContact O-N 3.47Å; T232-I236 VanDerWaalsContact O-N 3.11Å
233	I	98	Very high	95.4	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-55.7	-31.5	171.9	65.4	-177.9	0	0	0	113	E196 I208 L211 M212 I215 A218 D237 L240	E196-I233 HydrophobicContact CG-CD1 4.22Å; E196-I233 HydrophobicContact CG-CG1 3.96Å; E196-I233 WeakPolarHBondContact OE1-CG2 3.29Å; E196-I233 PolarHBondContact OE1-N 3.23Å; I208-I233 HydrophobicContact CG2-CD1 4.25Å; L211-I233 HydrophobicContact CB-CD1 4.12Å; L211-I233 HydrophobicContact CD1-CD1 4.45Å; M212-I233 HydrophobicContact CG-CD1 4.32Å; M212-I233 HydrophobicContact CG-CG2 3.89Å; I215-I233 HydrophobicContact CD1-CB 3.51Å; I215-I233 HydrophobicContact CD1-CG2 3.62Å; A218-I233 HydrophobicContact CB-CG2 3.56Å; I233-D237 PolarHBondContact O-N 2.81Å; I233-L240 HydrophobicContact CB-CD1 4.2Å
234	F	96.9	Very high	95.2	Very high	27 Å²	27	59.9 Å²	59.9	12%	0.118	29%	0.293	C	S	.	.	H	α-helix	trans	-79.9	-26.7	-178.5	-50.4	-63.2	0	0	0	113.4	E196 A199 I208 T232 D237 P238 L240 Q241 V245	E196-F234 HydrophobicContact CG-CE2 4.16Å; A199-F234 HydrophobicContact CB-CE2 3.77Å; A199-F234 HydrophobicContact CB-CZ 3.43Å; A199-F234 VanDerWaalsContact CB-CZ 3.43Å; I208-F234 HydrophobicContact CD1-CZ 4.38Å; T232-F234 PolarHBondContact O-N 3.03Å; T232-F234 PolarHBondContact OG1-N 3.49Å; F234-D237 CarbonylContact O-C 3.55Å; F234-P238 VanDerWaalsContact O-CA 3.26Å; F234-P238 WeakPolarHBondContact O-CA 3.28Å; F234-L240 HydrophobicContact CD1-CB 4.11Å; F234-L240 HydrophobicContact CE1-CB 4.39Å; F234-Q241 HydrophobicContact CD1-CB 4.13Å; F234-V245 HydrophobicContact CE1-CG2 3.86Å; F234-V245 HydrophobicContact CZ-CG2 4.29Å
235	E	96.7	Very high	94.9	Very high	90 Å²	90	59.8 Å²	59.8	42%	0.421	29%	0.292	S	S	.	.	H	α-helix	trans	-76	-36.4	172.2	-71.8	164.1	170.5	0	0	110.8	R162 E231 T232	R162-E235 IonicContact CZ-OE1 3.23Å; R162-E235 IonicContact CZ-OE2 3.43Å; R162-E235 VanDerWaalsContact NH1-CD 3.32Å; R162-E235 IonicContact NH1-OE1 3.38Å; R162-E235 PolarHBondContact NH1-OE1 2.8Å; R162-E235 VanDerWaalsContact NH1-OE1 3.12Å; R162-E235 IonicContact NH1-OE2 3.12Å; R162-E235 PolarHBondContact NH1-OE2 3.06Å; R162-E235 IonicContact NH2-OE1 2.81Å; R162-E235 PolarHBondContact NH2-OE1 3.37Å; R162-E235 IonicContact NH2-OE2 2.84Å; E231-E235 WeakPolarHBondContact CA-OE2 3.49Å; E231-E235 HydrophobicContact CB-CB 4.28Å; T232-E235 PolarHBondContact N-OE2 3.34Å; T232-E235 PolarHBondContact O-N 3.47Å; T232-E235 WeakPolarHBondContact OG1-CG 3.1Å; T232-E235 PolarHBondContact OG1-N 3.37Å; T232-E235 VanDerWaalsContact OG1-N 3.15Å
236	I	96.3	Very high	94.5	Very high	62 Å²	62	62.9 Å²	62.9	32%	0.318	31%	0.309	S	S	.	.	H	α-helix	trans	-67.3	-46.1	176	-65.5	162.4	0	0	0	110.8	I215 V217 E231 T232	I215-I236 HydrophobicContact CG2-CD1 4.05Å; I215-I236 HydrophobicContact CG2-CG2 4.2Å; V217-I236 HydrophobicContact CG2-CD1 3.48Å; V217-I236 VanDerWaalsContact CG2-CD1 3.48Å; E231-I236 HydrophobicContact CB-CD1 4.35Å; E231-I236 HydrophobicContact CB-CG1 3.98Å; T232-I236 WeakPolarHBondContact O-CD1 3.16Å; T232-I236 WeakPolarHBondContact O-CG1 3.42Å; T232-I236 PolarHBondContact O-N 3.47Å; T232-I236 VanDerWaalsContact O-N 3.11Å
237	D	95.4	Very high	94.3	Very high	58 Å²	58	67.4 Å²	67.4	31%	0.31	33%	0.33	S	S	.	.			trans	-135.8	97.7	175.7	-174.6	5.5	0	0	0	111.3	I233 F234 H239 L240	I233-D237 PolarHBondContact O-N 2.81Å; F234-D237 CarbonylContact O-C 3.55Å; D237-H239 PolarHBondContact O-N 3.43Å; D237-H239 VanDerWaalsContact O-N 3.16Å; D237-H239 WeakPolarHBondContact OD1-CB 3.27Å; D237-H239 IonicContact OD1-CG 2.65Å; D237-H239 PolarHBondContact OD1-N 3.14Å; D237-H239 VanDerWaalsContact OD1-N 3.14Å; D237-H239 IonicContact OD1-ND1 3.72Å; D237-H239 PolarHBondContact OD1-ND1 2.93Å; D237-L240 HydrophobicContact CB-CD1 3.92Å; D237-L240 HydrophobicContact CB-CG 3.89Å; D237-L240 WeakPolarHBondContact O-CB 3.43Å; D237-L240 WeakPolarHBondContact O-CG 3.47Å; D237-L240 PolarHBondContact O-N 3.09Å
238	P	93.1	Very high	94	Very high	88 Å²	88	67.5 Å²	67.5	57%	0.571	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-22.5	179.4	-27.5	36.4	0	0	0	114.9	F234 L240	F234-P238 VanDerWaalsContact O-CA 3.26Å; F234-P238 WeakPolarHBondContact O-CA 3.28Å; P238-L240 PolarHBondContact O-N 2.92Å
239	H	92.6	Very high	93.9	Very high	109 Å²	109	61.9 Å²	61.9	51%	0.505	31%	0.311	S	S	.	.	H	α-helix	trans	-67.5	-24.4	179.7	-57	91.3	0	0	0	111.8	D237 Q241 Q242 E243	D237-H239 PolarHBondContact O-N 3.43Å; D237-H239 VanDerWaalsContact O-N 3.16Å; D237-H239 WeakPolarHBondContact OD1-CB 3.27Å; D237-H239 IonicContact OD1-CG 2.65Å; D237-H239 PolarHBondContact OD1-N 3.14Å; D237-H239 VanDerWaalsContact OD1-N 3.14Å; D237-H239 IonicContact OD1-ND1 3.72Å; D237-H239 PolarHBondContact OD1-ND1 2.93Å; H239-Q241 VanDerWaalsContact C-N 3.28Å; H239-Q241 PolarHBondContact O-N 3.36Å; H239-Q242 PolarHBondContact O-N 3.16Å; H239-E243 HydrophobicContact CB-CG 4.25Å; H239-E243 IonicContact CD2-OE1 3.99Å; H239-E243 PolarHBondContact CD2-OE1 3.49Å; H239-E243 VanDerWaalsContact O-CB 3.27Å; H239-E243 WeakPolarHBondContact O-CB 3.46Å; H239-E243 PolarHBondContact O-N 2.92Å
240	L	93.4	Very high	93.7	Very high	19 Å²	19	66.4 Å²	66.4	10%	0.099	33%	0.333	C	S	.	.	I	π-helix	trans	-60.6	-36.4	-178.1	-65.3	180	0	0	0	113.2	L211 I215 I233 F234 D237 P238 R244 V245	L211-L240 HydrophobicContact CD1-CB 4.39Å; L211-L240 HydrophobicContact CD2-CD2 4.18Å; I215-L240 HydrophobicContact CD1-CD1 3.49Å; I215-L240 VanDerWaalsContact CD1-CD1 3.49Å; I233-L240 HydrophobicContact CB-CD1 4.2Å; F234-L240 HydrophobicContact CD1-CB 4.11Å; F234-L240 HydrophobicContact CE1-CB 4.39Å; D237-L240 HydrophobicContact CB-CD1 3.92Å; D237-L240 HydrophobicContact CB-CG 3.89Å; D237-L240 WeakPolarHBondContact O-CB 3.43Å; D237-L240 WeakPolarHBondContact O-CG 3.47Å; D237-L240 PolarHBondContact O-N 3.09Å; P238-L240 PolarHBondContact O-N 2.92Å; L240-R244 HydrophobicContact CD2-CG 4.11Å; L240-R244 WeakPolarHBondContact O-CB 3.4Å; L240-R244 PolarHBondContact O-N 3.33Å; L240-V245 PolarHBondContact O-N 3.48Å
241	Q	89.1	Confident	93.5	Very high	63 Å²	63	68.4 Å²	68.4	29%	0.294	34%	0.335	S	S	.	.	I	π-helix	trans	-63.5	-55.6	178.2	-178.8	63.1	55.1	0	0	110.4	F234 H239 V245 D246	F234-Q241 HydrophobicContact CD1-CB 4.13Å; H239-Q241 VanDerWaalsContact C-N 3.28Å; H239-Q241 PolarHBondContact O-N 3.36Å; Q241-V245 WeakPolarHBondContact O-CB 3.22Å; Q241-V245 PolarHBondContact O-N 2.97Å; Q241-D246 PolarHBondContact NE2-OD1 3.4Å; Q241-D246 PolarHBondContact O-N 3Å
242	Q	82.6	Confident	93.3	Very high	151 Å²	151	67.7 Å²	67.7	71%	0.706	33%	0.332	S	S	*	.	I	π-helix	trans	-81.5	-39	-170.3	-163.6	170.3	22.5	0	0	113.1	H239	H239-Q242 PolarHBondContact O-N 3.16Å
243	E	88.3	Confident	93.1	Very high	112 Å²	112	67.6 Å²	67.6	52%	0.523	33%	0.331	S	S	.	.	I	π-helix	trans	-87.8	-24.1	-174.3	-60.2	-175.6	-179.6	0	0	113	H239 Q247	H239-E243 HydrophobicContact CB-CG 4.25Å; H239-E243 IonicContact CD2-OE1 3.99Å; H239-E243 PolarHBondContact CD2-OE1 3.49Å; H239-E243 VanDerWaalsContact O-CB 3.27Å; H239-E243 WeakPolarHBondContact O-CB 3.46Å; H239-E243 PolarHBondContact O-N 2.92Å; E243-Q247 WeakPolarHBondContact O-CB 3.48Å; E243-Q247 PolarHBondContact O-OE1 2.97Å; E243-Q247 VanDerWaalsContact O-OE1 3.13Å
244	R	93.3	Very high	92.9	Very high	142 Å²	142	67.6 Å²	67.6	54%	0.536	33%	0.331	S	S	.	.	I	π-helix	trans	-114.9	-54.3	-176.1	-57.9	-61.6	-163	131.9	5.6	112.9	L211 L240 G248	L211-R244 HydrophobicContact CD1-CB 4.19Å; L211-R244 HydrophobicContact CD2-CB 3.83Å; L211-R244 HydrophobicContact CD2-CG 3.97Å; L240-R244 HydrophobicContact CD2-CG 4.11Å; L240-R244 WeakPolarHBondContact O-CB 3.4Å; L240-R244 PolarHBondContact O-N 3.33Å; R244-G248 WeakPolarHBondContact O-CA 3.42Å; R244-G248 PolarHBondContact O-N 3.02Å
245	V	92.9	Very high	92.5	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	34%	0.339	C	S	.	.	I	π-helix	trans	-68	-51.6	-177	178.3	0	0	0	0	110.6	W203 I208 L211 F234 L240 Q241 Q247 G248 I249	W203-V245 HydrophobicContact CB-CG1 4.14Å; W203-V245 HydrophobicContact CE3-CB 4.4Å; W203-V245 HydrophobicContact CE3-CG1 4.38Å; W203-V245 HydrophobicContact CE3-CG2 4.14Å; W203-V245 HydrophobicContact CZ3-CG2 4.44Å; I208-V245 HydrophobicContact CD1-CG2 4.01Å; L211-V245 HydrophobicContact CD1-CG2 3.87Å; F234-V245 HydrophobicContact CE1-CG2 3.86Å; F234-V245 HydrophobicContact CZ-CG2 4.29Å; L240-V245 PolarHBondContact O-N 3.48Å; Q241-V245 WeakPolarHBondContact O-CB 3.22Å; Q241-V245 PolarHBondContact O-N 2.97Å; V245-Q247 VanDerWaalsContact C-N 3.35Å; V245-Q247 PolarHBondContact O-N 3.04Å; V245-G248 PolarHBondContact O-N 2.86Å; V245-I249 HydrophobicContact CG1-CD1 3.85Å; V245-I249 VanDerWaalsContact O-CG1 3.32Å; V245-I249 WeakPolarHBondContact O-CG1 3.43Å; V245-I249 PolarHBondContact O-N 2.81Å
246	D	91	Very high	92.1	Very high	67 Å²	67	66.3 Å²	66.3	36%	0.358	33%	0.328	S	S	.	.	H	α-helix	trans	-64.2	-40.9	-178.8	-62.7	-10.6	0	0	0	111.6	Q241 I249 E250	Q241-D246 PolarHBondContact NE2-OD1 3.4Å; Q241-D246 PolarHBondContact O-N 3Å; D246-I249 PolarHBondContact O-N 3.13Å; D246-E250 PolarHBondContact O-N 3.44Å
247	Q	93.2	Very high	91.8	Very high	110 Å²	110	63.9 Å²	63.9	51%	0.514	32%	0.317	S	S	.	.	H	α-helix	trans	-63.9	-43.7	174.2	-175	176.6	41	0	0	111.7	E243 V245 I249 E250 T251	E243-Q247 WeakPolarHBondContact O-CB 3.48Å; E243-Q247 PolarHBondContact O-OE1 2.97Å; E243-Q247 VanDerWaalsContact O-OE1 3.13Å; V245-Q247 VanDerWaalsContact C-N 3.35Å; V245-Q247 PolarHBondContact O-N 3.04Å; Q247-I249 VanDerWaalsContact C-N 3.34Å; Q247-I249 PolarHBondContact O-N 3.2Å; Q247-E250 WeakPolarHBondContact O-CB 3.46Å; Q247-E250 PolarHBondContact O-N 3.31Å; Q247-E250 VanDerWaalsContact O-N 3.14Å; Q247-T251 HydrophobicContact CG-CG2 4.47Å; Q247-T251 PolarHBondContact O-N 3.03Å; Q247-T251 PolarHBondContact O-OG1 3.36Å; Q247-T251 VanDerWaalsContact O-OG1 3.09Å
248	G	94	Very high	91.5	Very high	5 Å²	5	61.9 Å²	61.9	5%	0.052	31%	0.309	C	S	.	.	H	α-helix	trans	-61.2	-42.5	177.9	0	0	0	0	0	112	W203 R244 V245 E250 T251 E252	W203-G248 PolarHBondContact NE1-O 3.35Å; R244-G248 WeakPolarHBondContact O-CA 3.42Å; R244-G248 PolarHBondContact O-N 3.02Å; V245-G248 PolarHBondContact O-N 2.86Å; G248-E250 VanDerWaalsContact C-N 3.32Å; G248-E250 PolarHBondContact O-N 3.43Å; G248-T251 PolarHBondContact O-N 3.01Å; G248-T251 PolarHBondContact O-OG1 2.93Å; G248-E252 WeakPolarHBondContact O-CA 3.4Å; G248-E252 VanDerWaalsContact O-CB 3.27Å; G248-E252 WeakPolarHBondContact O-CB 3.45Å; G248-E252 PolarHBondContact O-N 3.08Å
249	I	94.4	Very high	91.3	Very high	11 Å²	11	59.6 Å²	59.6	6%	0.056	29%	0.294	C	S	.	.	H	α-helix	trans	-61.8	-41	173.4	-70.2	164	0	0	0	111	W203 V245 D246 Q247 G253 L370	W203-I249 HydrophobicContact CB-CD1 4.03Å; W203-I249 HydrophobicContact CB-CG1 3.59Å; W203-I249 HydrophobicContact CG-CG1 3.86Å; V245-I249 HydrophobicContact CG1-CD1 3.85Å; V245-I249 VanDerWaalsContact O-CG1 3.32Å; V245-I249 WeakPolarHBondContact O-CG1 3.43Å; V245-I249 PolarHBondContact O-N 2.81Å; D246-I249 PolarHBondContact O-N 3.13Å; Q247-I249 VanDerWaalsContact C-N 3.34Å; Q247-I249 PolarHBondContact O-N 3.2Å; I249-G253 WeakPolarHBondContact O-CA 3.41Å; I249-G253 PolarHBondContact O-N 2.8Å; I249-L370 HydrophobicContact CD1-CD1 3.89Å; I249-L370 HydrophobicContact CG1-CD1 4.37Å; I249-L370 HydrophobicContact CG2-CD1 3.69Å
250	E	93.3	Very high	91	Very high	113 Å²	113	58.4 Å²	58.4	53%	0.528	30%	0.298	S	S	.	.	H	α-helix	trans	-63.2	-44	177.5	-174	168.7	-152.4	0	0	111.7	D246 Q247 G248 R373 H378	D246-E250 PolarHBondContact O-N 3.44Å; Q247-E250 WeakPolarHBondContact O-CB 3.46Å; Q247-E250 PolarHBondContact O-N 3.31Å; Q247-E250 VanDerWaalsContact O-N 3.14Å; G248-E250 VanDerWaalsContact C-N 3.32Å; G248-E250 PolarHBondContact O-N 3.43Å; E250-R373 HydrophobicContact CB-CG 4.39Å; E250-R373 HydrophobicContact CG-CG 4.29Å; E250-H378 PolarHBondContact O-CE1 3.48Å; E250-H378 PolarHBondContact O-NE2 3.11Å
251	T	94.1	Very high	90.8	Very high	93 Å²	93	58 Å²	58	57%	0.571	30%	0.297	S	S	*	.	H	α-helix	trans	-86	-34	-174.4	55.5	0	0	0	0	114.7	Q247 G248	Q247-T251 HydrophobicContact CG-CG2 4.47Å; Q247-T251 PolarHBondContact O-N 3.03Å; Q247-T251 PolarHBondContact O-OG1 3.36Å; Q247-T251 VanDerWaalsContact O-OG1 3.09Å; G248-T251 PolarHBondContact O-N 3.01Å; G248-T251 PolarHBondContact O-OG1 2.93Å
252	E	93	Very high	90.9	Very high	99 Å²	99	56.5 Å²	56.5	46%	0.463	29%	0.289	S	S	.	.	H	α-helix	trans	-110.1	-16.4	-173	-56.7	175.1	-178.1	0	0	112.9	W203 N204 G248 R380	W203-E252 PolarHBondContact NE1-OE2 3.16Å; N204-E252 PolarHBondContact ND2-OE2 3.37Å; G248-E252 WeakPolarHBondContact O-CA 3.4Å; G248-E252 VanDerWaalsContact O-CB 3.27Å; G248-E252 WeakPolarHBondContact O-CB 3.45Å; G248-E252 PolarHBondContact O-N 3.08Å; E252-R380 PolarHBondContact O-NH2 3.43Å; E252-R380 VanDerWaalsContact O-NH2 3.07Å
253	G	94	Very high	91.4	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.01	26%	0.256	C	S	.	.			trans	82.5	-177.8	-173.7	0	0	0	0	0	112.8	I249 G374 H378	I249-G253 WeakPolarHBondContact O-CA 3.41Å; I249-G253 PolarHBondContact O-N 2.8Å; G253-G374 CarbonylContact C-O 3.59Å; G253-G374 VanDerWaalsContact CA-O 3.27Å; G253-G374 WeakPolarHBondContact CA-O 3.33Å; G253-H378 PolarHBondContact N-CE1 3.08Å; G253-H378 PolarHBondContact N-NE2 3.38Å
254	S	92.9	Very high	91.7	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.244	C	C	.	.			trans	-109	138.8	-177.4	175.3	0	0	0	0	111.6	Q202 L256 G374 R375 R380	Q202-S254 WeakPolarHBondContact O-CA 3.24Å; Q202-S254 WeakPolarHBondContact O-CB 3.32Å; Q202-S254 PolarHBondContact O-OG 3.32Å; S254-L256 VanDerWaalsContact C-N 3.32Å; S254-L256 WeakPolarHBondContact OG-CB 3.32Å; S254-L256 PolarHBondContact OG-N 3.43Å; S254-G374 PolarHBondContact N-O 2.9Å; S254-R375 VanDerWaalsContact O-CD 3.23Å; S254-R375 WeakPolarHBondContact O-CD 3.36Å; S254-R375 PolarHBondContact O-NH1 2.91Å; S254-R380 PolarHBondContact O-NH1 3.49Å
255	N	88.8	Confident	91.8	Very high	54 Å²	54	40.4 Å²	40.4	29%	0.289	22%	0.222	S	C	.	.	S	Bend	trans	-78.9	-13.1	169.6	-75.4	-3.9	0	0	0	113.2	W203 N204 S257	W203-N255 WeakPolarHBondContact O-CB 3.42Å; W203-N255 PolarHBondContact O-N 3.21Å; N204-N255 WeakPolarHBondContact CB-ND2 3.35Å; N255-S257 PolarHBondContact O-N 3.25Å; N255-S257 VanDerWaalsContact O-N 3.13Å
256	L	88.9	Confident	91.8	Very high	36 Å²	36	43.2 Å²	43.2	19%	0.188	24%	0.237	C	C	.	.			trans	-73.2	106.2	179.7	-167.1	63.9	0	0	0	110.4	Q201 S254 G258 L370 R375 F382	Q201-L256 WeakPolarHBondContact O-CB 3.45Å; Q201-L256 PolarHBondContact O-N 3.44Å; S254-L256 VanDerWaalsContact C-N 3.32Å; S254-L256 WeakPolarHBondContact OG-CB 3.32Å; S254-L256 PolarHBondContact OG-N 3.43Å; L256-G258 WeakPolarHBondContact CD1-O 3.22Å; L256-L370 HydrophobicContact CB-CD2 4.37Å; L256-L370 HydrophobicContact CD2-CD2 3.71Å; L256-R375 VanDerWaalsContact O-CD 3.24Å; L256-R375 WeakPolarHBondContact O-CD 3.23Å; L256-R375 PolarHBondContact O-NE 2.93Å; L256-F382 HydrophobicContact CB-CE2 4.23Å; L256-F382 HydrophobicContact CD2-CE2 3.89Å; L256-F382 HydrophobicContact CD2-CZ 4.12Å; L256-F382 HydrophobicContact CG-CE2 3.82Å; L256-F382 HydrophobicContact CG-CZ 4.39Å; L256-F382 VanDerWaalsContact O-CD2 3.25Å; L256-F382 WeakPolarHBondContact O-CD2 3.29Å; L256-F382 WeakPolarHBondContact O-CE2 3.33Å
257	S	88.9	Confident	91.8	Very high	11 Å²	11	41.8 Å²	41.8	8%	0.077	23%	0.23	C	C	.	.			trans	-82.2	-17.4	179.3	62.3	0	0	0	0	113.9	N255 L302 F382 T383	N255-S257 PolarHBondContact O-N 3.25Å; N255-S257 VanDerWaalsContact O-N 3.13Å; S257-L302 PolarHBondContact OG-O 2.77Å; S257-F382 WeakPolarHBondContact O-CA 3.45Å; S257-T383 PolarHBondContact O-N 2.83Å
258	G	89.4	Confident	91.3	Very high	15 Å²	15	40.7 Å²	40.7	16%	0.155	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.8	176	177.5	0	0	0	0	0	113.3	L256 T383	L256-G258 WeakPolarHBondContact CD1-O 3.22Å; G258-T383 CarbonylContact C-O 3.45Å; G258-T383 WeakPolarHBondContact CA-O 3.47Å
259	V	88.9	Confident	90.2	Very high	41 Å²	41	42.9 Å²	42.9	25%	0.248	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	146.4	-177	67.4	0	0	0	0	110.7	A261 L367 F382 T383 Y384 K385	V259-A261 HydrophobicContact CG1-CB 4.08Å; V259-L367 HydrophobicContact CB-CD1 4.21Å; V259-L367 HydrophobicContact CG1-CD1 3.9Å; V259-L367 HydrophobicContact CG2-CD1 4.07Å; V259-F382 HydrophobicContact CB-CZ 4.38Å; V259-F382 HydrophobicContact CG1-CE1 4.06Å; V259-F382 HydrophobicContact CG1-CZ 4.05Å; V259-T383 PolarHBondContact N-O 3.37Å; V259-Y384 HydrophobicContact CG1-CD1 3.42Å; V259-Y384 VanDerWaalsContact CG1-CD1 3.42Å; V259-Y384 HydrophobicContact CG1-CE1 3.66Å; V259-Y384 HydrophobicContact CG1-CG 4.25Å; V259-Y384 WeakPolarHBondContact O-CA 3.35Å; V259-K385 PolarHBondContact O-N 2.81Å
260	S	86.7	Confident	88.7	Confident	84 Å²	84	49 Å²	49	59%	0.587	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87	121.3	164.1	-73.3	0	0	0	0	109.4	K385	S260-K385 CarbonylContact C-O 3.49Å; S260-K385 VanDerWaalsContact CA-O 3.28Å; S260-K385 WeakPolarHBondContact CA-O 3.43Å
261	A	89.5	Confident	86.7	Confident	10 Å²	10	47 Å²	47	8%	0.083	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	166.8	-165.8	0	0	0	0	0	112.8	V259 C263 Y384 K385 S386 I387	V259-A261 HydrophobicContact CG1-CB 4.08Å; A261-C263 PolarHBondContact O-N 2.79Å; A261-Y384 HydrophobicContact CB-CD1 4.16Å; A261-K385 PolarHBondContact N-O 2.98Å; A261-S386 CarbonylContact O-C 3.54Å; A261-S386 VanDerWaalsContact O-CA 3.26Å; A261-S386 WeakPolarHBondContact O-CA 3.41Å; A261-I387 PolarHBondContact O-N 2.8Å
262	K	90.2	Very high	84.6	Confident	31 Å²	31	48.3 Å²	48.3	14%	0.135	27%	0.271	C	S	.	.	S	Bend	trans	-80.7	96.2	166	-68.9	-179.3	-178.3	-174.7	0	109.3	N361 S364 I387 D463 F466 D467	K262-N361 HydrophobicContact CB-CB 3.85Å; K262-N361 HydrophobicContact CD-CB 4.44Å; K262-N361 PolarHBondContact O-N 2.69Å; K262-S364 PolarHBondContact O-OG 2.91Å; K262-I387 HydrophobicContact CG-CD1 3.66Å; K262-I387 HydrophobicContact CG-CG1 3.91Å; K262-D463 VanDerWaalsContact NZ-CG 3.33Å; K262-D463 IonicContact NZ-OD2 3.86Å; K262-D463 PolarHBondContact NZ-OD2 3.12Å; K262-F466 HydrophobicContact CB-CB 3.98Å; K262-F466 HydrophobicContact CB-CD1 4.15Å; K262-F466 HydrophobicContact CB-CD2 4.16Å; K262-F466 HydrophobicContact CB-CG 3.83Å; K262-F466 HydrophobicContact CD-CB 4.03Å; K262-F466 HydrophobicContact CG-CB 4.16Å; K262-D467 WeakPolarHBondContact CE-OD1 3.47Å; K262-D467 IonicContact NZ-OD1 3.13Å; K262-D467 PolarHBondContact NZ-OD1 3.25Å; K262-D467 IonicContact NZ-OD2 3.73Å; K262-D467 PolarHBondContact NZ-OD2 3.18Å; K262-D467 VanDerWaalsContact NZ-OD2 3.13Å
263	C	93.1	Very high	82.3	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	152.1	178.3	64.2	0	0	0	0	112.2	A261 K359 F360 S386 I393	A261-C263 PolarHBondContact O-N 2.79Å; C263-K359 CarbonylContact C-O 3.5Å; C263-K359 VanDerWaalsContact CA-O 3.24Å; C263-K359 WeakPolarHBondContact CA-O 3.3Å; C263-F360 HydrophobicContact CB-CD1 3.61Å; C263-F360 HydrophobicContact CB-CE1 3.78Å; C263-S386 WeakPolarHBondContact O-CB 3.42Å; C263-S386 PolarHBondContact O-OG 3.48Å; C263-S386 VanDerWaalsContact O-OG 3.05Å; C263-I393 HydrophobicContact CB-CD1 4.2Å
264	V	94.8	Very high	80	Confident	44 Å²	44	55.5 Å²	55.5	27%	0.267	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	160.7	173.2	67.4	0	0	0	0	109.9	K359 F466	V264-K359 HydrophobicContact CG1-CB 3.71Å; V264-K359 HydrophobicContact CG1-CD 3.9Å; V264-K359 HydrophobicContact CG1-CG 4.37Å; V264-K359 PolarHBondContact N-O 2.98Å; V264-K359 PolarHBondContact O-N 3.2Å; V264-F466 HydrophobicContact CG1-CE1 4.11Å
265	W	95.1	Very high	77.7	Confident	24 Å²	24	64.5 Å²	64.5	9%	0.091	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	149	173.6	66.6	-94.8	0	0	0	110.7	D267 L353 H357 L358 T391 I393 A413 P416 L418	W265-D267 HydrophobicContact CZ3-CB 4.31Å; W265-L353 HydrophobicContact CE3-CD1 4.32Å; W265-L353 HydrophobicContact CH2-CD1 4.11Å; W265-L353 HydrophobicContact CZ3-CD1 3.62Å; W265-H357 CarbonylContact C-O 3.57Å; W265-H357 WeakPolarHBondContact CA-O 3.43Å; W265-L358 HydrophobicContact CB-CD2 3.7Å; W265-T391 HydrophobicContact CG-CG2 4.25Å; W265-I393 HydrophobicContact CB-CD1 4.15Å; W265-I393 HydrophobicContact CB-CG1 4.2Å; W265-I393 HydrophobicContact CG-CG1 4.28Å; W265-A413 HydrophobicContact CH2-CB 3.62Å; W265-A413 HydrophobicContact CZ2-CB 3.8Å; W265-P416 PolarHBondContact NE1-O 3.33Å; W265-L418 HydrophobicContact CB-CD2 3.72Å; W265-L418 HydrophobicContact CD2-CB 3.92Å; W265-L418 HydrophobicContact CD2-CD2 3.78Å; W265-L418 HydrophobicContact CD2-CG 4.3Å; W265-L418 HydrophobicContact CE3-CD1 4.48Å; W265-L418 HydrophobicContact CE3-CD2 4.2Å; W265-L418 HydrophobicContact CG-CB 4.01Å; W265-L418 HydrophobicContact CG-CD2 3.54Å; W265-L418 HydrophobicContact CG-CG 4.38Å; W265-L418 HydrophobicContact CZ2-CB 4.14Å
266	D	93.3	Very high	75.3	Confident	59 Å²	59	70.4 Å²	70.4	32%	0.316	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	146.8	176.1	-58.8	-57.9	0	0	0	111.1	H357 K359	D266-H357 HydrophobicContact CB-CB 4.37Å; D266-H357 PolarHBondContact N-O 3.19Å; D266-H357 PolarHBondContact O-N 2.94Å; D266-K359 WeakPolarHBondContact OD2-CE 3.35Å; D266-K359 IonicContact OD2-NZ 2.79Å; D266-K359 PolarHBondContact OD2-NZ 3.15Å
267	D	90.6	Very high	72.7	Confident	36 Å²	36	74.4 Å²	74.4	19%	0.193	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	112.8	170	-179.9	5.3	0	0	0	109.2	W265 S269 R270 L353	W265-D267 HydrophobicContact CZ3-CB 4.31Å; D267-S269 VanDerWaalsContact C-N 3.34Å; D267-S269 VanDerWaalsContact CG-OG 3.26Å; D267-S269 VanDerWaalsContact OD1-CB 3.25Å; D267-S269 WeakPolarHBondContact OD1-CB 3.2Å; D267-S269 PolarHBondContact OD1-N 3.22Å; D267-S269 PolarHBondContact OD1-OG 2.99Å; D267-S269 PolarHBondContact OD2-OG 3.4Å; D267-R270 IonicContact OD2-NE 3.07Å; D267-L353 HydrophobicContact CB-CD2 4.34Å; D267-L353 WeakPolarHBondContact OD2-CD2 3.48Å
268	L	82.9	Confident	70.3	Confident	87 Å²	87	79.4 Å²	79.4	46%	0.455	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-3.5	179	-68	-179.8	0	0	0	112.9	R270 S355 H357 K457	L268-R270 VanDerWaalsContact C-N 3.26Å; L268-R270 PolarHBondContact O-N 3.49Å; L268-S355 WeakPolarHBondContact CB-OG 3.33Å; L268-S355 PolarHBondContact N-O 3.43Å; L268-H357 HydrophobicContact CD1-CB 3.83Å; L268-H357 HydrophobicContact CD2-CB 4.06Å; L268-H357 HydrophobicContact CG-CB 3.83Å; L268-K457 HydrophobicContact CD1-CB 4.48Å
269	S	72.1	Confident	67.7	Low	51 Å²	51	89.9 Å²	89.9	36%	0.357	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-13.5	-178.1	69.8	0	0	0	0	113.7	D267	D267-S269 VanDerWaalsContact C-N 3.34Å; D267-S269 VanDerWaalsContact CG-OG 3.26Å; D267-S269 VanDerWaalsContact OD1-CB 3.25Å; D267-S269 WeakPolarHBondContact OD1-CB 3.2Å; D267-S269 PolarHBondContact OD1-N 3.22Å; D267-S269 PolarHBondContact OD1-OG 2.99Å; D267-S269 PolarHBondContact OD2-OG 3.4Å
270	R	61.3	Low	65.3	Low	140 Å²	140	91 Å²	91	53%	0.528	48%	0.481	S	S	.	.	S	Bend	trans	-109.5	127.5	179.4	-63.6	-176.9	-177.3	-158.7	-6.6	111	D267 L268	D267-R270 IonicContact OD2-NE 3.07Å; L268-R270 VanDerWaalsContact C-N 3.26Å; L268-R270 PolarHBondContact O-N 3.49Å
271	P	51.7	Low	62.8	Low	72 Å²	72	92.8 Å²	92.8	47%	0.468	48%	0.483	S	S	.	.			trans	-64.9	149.3	166.9	26.9	-29.9	0	0	0	110	D273 D274	P271-D273 PolarHBondContact O-N 2.84Å; P271-D274 PolarHBondContact O-N 2.63Å
272	P	51.1	Low	60.2	Low	120 Å²	120	97 Å²	97	78%	0.779	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-11.9	-178.7	21.5	-31	0	0	0	114.7
273	D	44.3	Very low	57.5	Low	144 Å²	144	100.8 Å²	100.8	77%	0.77	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-4.5	-175.1	-67	-34.1	0	0	0	114.8	P271 E275	P271-D273 PolarHBondContact O-N 2.84Å; D273-E275 VanDerWaalsContact C-N 3.3Å; D273-E275 PolarHBondContact O-N 2.75Å
274	D	44.6	Very low	54.7	Low	107 Å²	107	104.4 Å²	104.4	57%	0.572	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-88.3	20.2	-178.7	-78.8	-26.1	0	0	0	114.1	P271 E276	P271-D274 PolarHBondContact O-N 2.63Å; D274-E276 PolarHBondContact O-N 2.68Å
275	E	45.6	Very low	51.7	Low	189 Å²	189	105.9 Å²	105.9	88%	0.883	58%	0.581	S	S	*	*	G	3₁₀ helix	trans	-71.9	-12.5	173.6	-71.8	-140.4	149.7	0	0	113.7	D273	D273-E275 VanDerWaalsContact C-N 3.3Å; D273-E275 PolarHBondContact O-N 2.75Å
276	E	38	Very low	48.6	Very low	177 Å²	177	113.4 Å²	113.4	83%	0.827	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-92.1	-4.9	-178.9	-88.9	-164.4	161.1	0	0	115.7	D274 S278	D274-E276 PolarHBondContact O-N 2.68Å; E276-S278 PolarHBondContact O-N 3.22Å; E276-S278 PolarHBondContact O-OG 2.95Å
277	D	34.7	Very low	45.9	Very low	121 Å²	121	116.1 Å²	116.1	65%	0.647	64%	0.637	S	S	*	*			trans	-79.3	92	179.5	-148.4	2.1	0	0	0	111.1	R279 S280	D277-R279 PolarHBondContact O-N 3.43Å; D277-S280 PolarHBondContact O-N 3.46Å
278	S	37.7	Very low	44	Very low	115 Å²	115	121.3 Å²	121.3	80%	0.804	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	37.1	-173	-62.8	0	0	0	0	114.9	E276	E276-S278 PolarHBondContact O-N 3.22Å; E276-S278 PolarHBondContact O-OG 2.95Å
279	R	36.6	Very low	42.3	Very low	235 Å²	235	127.4 Å²	127.4	89%	0.887	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124	-5.6	167.6	-70.8	-176.8	179.5	151.4	1.8	113.7	D277	D277-R279 PolarHBondContact O-N 3.43Å
280	S	37.5	Very low	41.5	Very low	65 Å²	65	125.6 Å²	125.6	46%	0.455	66%	0.658	S	S	.	*	S	Bend	trans	-85.8	119.5	162.5	178.5	0	0	0	0	108.3	D277 C282	D277-S280 PolarHBondContact O-N 3.46Å; S280-C282 PolarHBondContact O-N 3.31Å; S280-C282 PolarHBondContact OG-SG 3.29Å
281	I	34.7	Very low	41.3	Very low	122 Å²	122	119.6 Å²	119.6	63%	0.626	64%	0.637	S	S	*	*			trans	-73.9	69.7	173.7	-54.6	176	0	0	0	108.4	I283	I281-I283 HydrophobicContact CG2-CD1 4.35Å; I281-I283 HydrophobicContact CG2-CG1 4.22Å
282	C	35.2	Very low	41.5	Very low	99 Å²	99	122.8 Å²	122.8	67%	0.669	65%	0.65	S	S	*	*			trans	-99.8	70.9	161.9	-63.9	0	0	0	0	106.6	S280 G284	S280-C282 PolarHBondContact O-N 3.31Å; S280-C282 PolarHBondContact OG-SG 3.29Å; C282-G284 PolarHBondContact O-N 2.79Å; C282-G284 VanDerWaalsContact O-N 3.12Å
283	I	32.2	Very low	41.8	Very low	110 Å²	110	125 Å²	125	56%	0.564	65%	0.648	S	S	*	*			trans	-70.3	109	166.2	-62.8	178.3	0	0	0	106.1	I281 S285	I281-I283 HydrophobicContact CG2-CD1 4.35Å; I281-I283 HydrophobicContact CG2-CG1 4.22Å; I283-S285 PolarHBondContact O-N 2.94Å; I283-S285 VanDerWaalsContact O-N 3.11Å; I283-S285 PolarHBondContact O-OG 3.28Å
284	G	34.5	Very low	42.5	Very low	75 Å²	75	119 Å²	119	77%	0.773	62%	0.616	S	S	*	*			trans	-46.1	114	176.3	0	0	0	0	0	111.6	C282	C282-G284 PolarHBondContact O-N 2.79Å; C282-G284 VanDerWaalsContact O-N 3.12Å
285	S	32.6	Very low	43.4	Very low	76 Å²	76	114.9 Å²	114.9	53%	0.531	59%	0.594	S	S	.	*			trans	179.7	96.9	168.1	38	0	0	0	0	109.4	I283	I283-S285 PolarHBondContact O-N 2.94Å; I283-S285 VanDerWaalsContact O-N 3.11Å; I283-S285 PolarHBondContact O-OG 3.28Å
286	Q	29.4	Very low	44.2	Very low	181 Å²	181	110.6 Å²	110.6	85%	0.846	57%	0.574	S	S	*	*	S	Bend	trans	56.8	148.7	165.7	-68.1	-176.7	-17.8	0	0	118.5	R288	Q286-R288 PolarHBondContact O-N 3.25Å
287	P	35.8	Very low	45.4	Very low	116 Å²	116	107 Å²	107	75%	0.753	56%	0.557	S	S	*	*	S	Bend	trans	-55	118.2	169.4	20.8	-29.9	0	0	0	109.3	R289	P287-R289 PolarHBondContact O-N 2.89Å
288	R	51.4	Low	46.7	Very low	146 Å²	146	101.3 Å²	101.3	55%	0.551	53%	0.527	S	S	*	.			trans	-77.4	104.6	-176	-69.5	-175	-178.7	168.3	2.6	110.1	Q286	Q286-R288 PolarHBondContact O-N 3.25Å
289	R	47.9	Very low	47.7	Very low	215 Å²	215	102.5 Å²	102.5	81%	0.811	51%	0.514	S	S	*	.				36.8	89.5	121.3	30.8	-175.3	176.1	-167.4	-3.8	115.7	P287 S291 D390	P287-R289 PolarHBondContact O-N 2.89Å; R289-S291 PolarHBondContact O-N 3.01Å; R289-D390 VanDerWaalsContact CA-OD2 3.24Å; R289-D390 WeakPolarHBondContact CA-OD2 3.24Å; R289-D390 VanDerWaalsContact CB-CG 3.44Å; R289-D390 WeakPolarHBondContact CB-OD2 3.47Å; R289-D390 WeakPolarHBondContact CG-OD2 3.44Å; R289-D390 PolarHBondContact N-OD2 2.9Å
290	L	55.8	Low	48.9	Very low	12 Å²	12	95.9 Å²	95.9	6%	0.063	49%	0.493	C	S	.	.			trans	-56.4	131.6	159	-89	165.7	0	0	0	106.4	D294 I298 D390 P416	L290-D294 HydrophobicContact CD2-CB 3.74Å; L290-I298 HydrophobicContact CD1-CD1 4.05Å; L290-I298 HydrophobicContact CD2-CD1 4.04Å; L290-D390 HydrophobicContact CB-CB 4.08Å; L290-D390 HydrophobicContact CD1-CB 4.26Å; L290-D390 WeakPolarHBondContact CD1-O 3.29Å; L290-D390 HydrophobicContact CG-CB 3.85Å; L290-D390 WeakPolarHBondContact CG-O 3.46Å; L290-D390 VanDerWaalsContact N-CB 3.28Å; L290-D390 PolarHBondContact N-OD1 3.33Å; L290-P416 HydrophobicContact CD2-CG 3.84Å; L290-P416 HydrophobicContact CG-CG 4Å
291	S	56	Low	49.9	Very low	14 Å²	14	94.5 Å²	94.5	10%	0.098	48%	0.482	C	S	.	.			trans	-73.2	163.7	179.3	76.7	0	0	0	0	111.3	R289 K293 D294 T295 H345	R289-S291 PolarHBondContact O-N 3.01Å; S291-K293 PolarHBondContact O-N 2.81Å; S291-K293 PolarHBondContact OG-N 3.45Å; S291-D294 VanDerWaalsContact CB-OD2 3.27Å; S291-D294 WeakPolarHBondContact CB-OD2 3.32Å; S291-D294 PolarHBondContact N-OD2 2.98Å; S291-D294 VanDerWaalsContact N-OD2 3.16Å; S291-D294 PolarHBondContact O-N 2.96Å; S291-D294 PolarHBondContact OG-N 2.92Å; S291-D294 PolarHBondContact OG-OD2 3.34Å; S291-T295 WeakPolarHBondContact O-CB 3.46Å; S291-T295 PolarHBondContact O-N 2.91Å; S291-T295 PolarHBondContact O-OG1 2.79Å; S291-H345 WeakPolarHBondContact CB-CE1 3.45Å; S291-H345 WeakPolarHBondContact CB-NE2 3.31Å; S291-H345 PolarHBondContact OG-CE1 2.95Å; S291-H345 VanDerWaalsContact OG-CE1 3.23Å
292	N	55.6	Low	50.8	Low	140 Å²	140	90.7 Å²	90.7	75%	0.749	46%	0.463	S	S	*	.	H	α-helix	trans	-58.5	-34	171.7	-67.7	-17.7	0	0	0	110.9	T295 E296	N292-T295 PolarHBondContact O-N 3.47Å; N292-E296 WeakPolarHBondContact O-CB 3.41Å; N292-E296 VanDerWaalsContact O-CG 3.28Å; N292-E296 WeakPolarHBondContact O-CG 3.49Å; N292-E296 PolarHBondContact O-N 3.4Å
293	K	58.4	Low	51.4	Low	166 Å²	166	93.1 Å²	93.1	72%	0.722	46%	0.458	S	S	*	.	H	α-helix	trans	-70.1	-42.1	177.3	-72.6	-172.9	175.6	-176	0	112.5	S291 T295 E296 Q297	S291-K293 PolarHBondContact O-N 2.81Å; S291-K293 PolarHBondContact OG-N 3.45Å; K293-T295 VanDerWaalsContact C-N 3.31Å; K293-E296 PolarHBondContact O-N 2.88Å; K293-Q297 WeakPolarHBondContact O-CB 3.36Å; K293-Q297 PolarHBondContact O-N 3.07Å
294	D	58.4	Low	52.4	Low	19 Å²	19	92.8 Å²	92.8	10%	0.102	45%	0.452	C	S	.	.	H	α-helix	trans	-67.6	-38	176.5	-52.2	-45.5	0	0	0	110.3	L290 S291 Q297 I298	L290-D294 HydrophobicContact CD2-CB 3.74Å; S291-D294 VanDerWaalsContact CB-OD2 3.27Å; S291-D294 WeakPolarHBondContact CB-OD2 3.32Å; S291-D294 PolarHBondContact N-OD2 2.98Å; S291-D294 VanDerWaalsContact N-OD2 3.16Å; S291-D294 PolarHBondContact O-N 2.96Å; S291-D294 PolarHBondContact OG-N 2.92Å; S291-D294 PolarHBondContact OG-OD2 3.34Å; D294-Q297 PolarHBondContact O-N 3.04Å; D294-I298 WeakPolarHBondContact O-CB 3.35Å; D294-I298 WeakPolarHBondContact O-CD1 3.2Å; D294-I298 WeakPolarHBondContact O-CG1 3.41Å; D294-I298 PolarHBondContact O-N 2.84Å
295	T	62.9	Low	52.9	Low	20 Å²	20	89.6 Å²	89.6	12%	0.123	42%	0.419	C	S	.	.	H	α-helix	trans	-64.1	-42.9	174.5	-59.7	0	0	0	0	111.3	S291 N292 K293 R299	S291-T295 WeakPolarHBondContact O-CB 3.46Å; S291-T295 PolarHBondContact O-N 2.91Å; S291-T295 PolarHBondContact O-OG1 2.79Å; N292-T295 PolarHBondContact O-N 3.47Å; K293-T295 VanDerWaalsContact C-N 3.31Å; T295-R299 WeakPolarHBondContact O-CB 3.44Å; T295-R299 WeakPolarHBondContact O-CG 3.43Å; T295-R299 PolarHBondContact O-N 2.99Å
296	E	62.8	Low	53.2	Low	99 Å²	99	91.3 Å²	91.3	46%	0.463	42%	0.422	S	S	.	.	H	α-helix	trans	-66.8	-38.1	173.9	-74.3	-46.8	122.7	0	0	112	N292 K293 R299 E300	N292-E296 WeakPolarHBondContact O-CB 3.41Å; N292-E296 VanDerWaalsContact O-CG 3.28Å; N292-E296 WeakPolarHBondContact O-CG 3.49Å; N292-E296 PolarHBondContact O-N 3.4Å; K293-E296 PolarHBondContact O-N 2.88Å; E296-R299 CarbonylContact O-C 3.48Å; E296-R299 WeakPolarHBondContact O-CB 3.33Å; E296-R299 PolarHBondContact O-N 2.77Å; E296-R299 WeakPolarHBondContact OE1-CD 3.19Å; E296-R299 IonicContact OE1-CZ 3.35Å; E296-R299 IonicContact OE1-NE 3.31Å; E296-R299 IonicContact OE1-NH1 2.66Å; E296-R299 PolarHBondContact OE1-NH1 2.87Å; E296-E300 VanDerWaalsContact O-CB 3.26Å; E296-E300 WeakPolarHBondContact O-CB 3.34Å; E296-E300 PolarHBondContact O-N 3.15Å
297	Q	64.1	Low	53.7	Low	101 Å²	101	87.3 Å²	87.3	47%	0.472	40%	0.403	S	S	.	.	H	α-helix	trans	-69.6	-39.6	177	-167.2	174.9	4.8	0	0	111.5	K293 D294 R299 E300 T301 W417	K293-Q297 WeakPolarHBondContact O-CB 3.36Å; K293-Q297 PolarHBondContact O-N 3.07Å; D294-Q297 PolarHBondContact O-N 3.04Å; Q297-R299 VanDerWaalsContact C-N 3.35Å; Q297-E300 PolarHBondContact O-N 3.35Å; Q297-T301 WeakPolarHBondContact O-CB 3.3Å; Q297-T301 PolarHBondContact O-N 3.07Å; Q297-T301 PolarHBondContact O-OG1 3.48Å; Q297-W417 HydrophobicContact CB-CH2 4.5Å; Q297-W417 HydrophobicContact CB-CZ3 4.16Å; Q297-W417 HydrophobicContact CG-CH2 4.15Å; Q297-W417 HydrophobicContact CG-CZ3 4.07Å
298	I	61.8	Low	53.7	Low	1 Å²	1	90.2 Å²	90.2	1%	0.005	40%	0.404	C	S	.	.	H	α-helix	trans	-61.7	-45	170.6	-69.9	163.4	0	0	0	109.6	L290 D294 E300 T301 L302 A392 W417	L290-I298 HydrophobicContact CD1-CD1 4.05Å; L290-I298 HydrophobicContact CD2-CD1 4.04Å; D294-I298 WeakPolarHBondContact O-CB 3.35Å; D294-I298 WeakPolarHBondContact O-CD1 3.2Å; D294-I298 WeakPolarHBondContact O-CG1 3.41Å; D294-I298 PolarHBondContact O-N 2.84Å; I298-E300 VanDerWaalsContact C-N 3.32Å; I298-E300 PolarHBondContact O-N 3.04Å; I298-T301 PolarHBondContact O-N 2.82Å; I298-L302 HydrophobicContact CG2-CD1 3.85Å; I298-L302 HydrophobicContact CG2-CG 4.32Å; I298-L302 VanDerWaalsContact O-CB 3.31Å; I298-L302 WeakPolarHBondContact O-CB 3.21Å; I298-L302 WeakPolarHBondContact O-CG 3.48Å; I298-L302 PolarHBondContact O-N 2.93Å; I298-A392 HydrophobicContact CD1-CB 4.01Å; I298-W417 HydrophobicContact CB-CH2 4.48Å; I298-W417 HydrophobicContact CD1-CD2 4.08Å; I298-W417 HydrophobicContact CD1-CE3 4.08Å; I298-W417 HydrophobicContact CD1-CG 4.47Å; I298-W417 HydrophobicContact CD1-CZ3 4.43Å; I298-W417 HydrophobicContact CG1-CD2 3.84Å; I298-W417 HydrophobicContact CG1-CE3 3.72Å; I298-W417 HydrophobicContact CG1-CH2 3.61Å; I298-W417 HydrophobicContact CG1-CZ2 3.73Å; I298-W417 HydrophobicContact CG1-CZ3 3.61Å
299	R	57.3	Low	52.7	Low	141 Å²	141	89.3 Å²	89.3	53%	0.532	41%	0.41	S	S	.	.	H	α-helix	trans	-60.7	-41.4	174.7	-78.7	170.9	176.1	171.2	-1.4	111.6	T295 E296 Q297 L302 R303	T295-R299 WeakPolarHBondContact O-CB 3.44Å; T295-R299 WeakPolarHBondContact O-CG 3.43Å; T295-R299 PolarHBondContact O-N 2.99Å; E296-R299 CarbonylContact O-C 3.48Å; E296-R299 WeakPolarHBondContact O-CB 3.33Å; E296-R299 PolarHBondContact O-N 2.77Å; E296-R299 WeakPolarHBondContact OE1-CD 3.19Å; E296-R299 IonicContact OE1-CZ 3.35Å; E296-R299 IonicContact OE1-NE 3.31Å; E296-R299 IonicContact OE1-NH1 2.66Å; E296-R299 PolarHBondContact OE1-NH1 2.87Å; Q297-R299 VanDerWaalsContact C-N 3.35Å; R299-L302 PolarHBondContact O-N 3.34Å; R299-R303 WeakPolarHBondContact O-CB 3.4Å; R299-R303 PolarHBondContact O-N 3.48Å
300	E	61.9	Low	51.9	Low	96 Å²	96	83.4 Å²	83.4	45%	0.449	40%	0.402	S	S	.	.	H	α-helix	trans	-69.8	-40	178.8	-168.9	179.5	166.7	0	0	111.2	E296 Q297 I298 R303 K304	E296-E300 VanDerWaalsContact O-CB 3.26Å; E296-E300 WeakPolarHBondContact O-CB 3.34Å; E296-E300 PolarHBondContact O-N 3.15Å; Q297-E300 PolarHBondContact O-N 3.35Å; I298-E300 VanDerWaalsContact C-N 3.32Å; I298-E300 PolarHBondContact O-N 3.04Å; E300-R303 PolarHBondContact O-N 2.76Å; E300-K304 HydrophobicContact CG-CD 4.27Å; E300-K304 HydrophobicContact CG-CG 4.48Å; E300-K304 VanDerWaalsContact O-CB 3.32Å; E300-K304 WeakPolarHBondContact O-CB 3.4Å; E300-K304 VanDerWaalsContact O-CG 3.32Å; E300-K304 WeakPolarHBondContact O-CG 3.42Å; E300-K304 PolarHBondContact O-N 2.86Å; E300-K304 WeakPolarHBondContact OE1-CE 3.3Å; E300-K304 IonicContact OE1-NZ 2.66Å; E300-K304 PolarHBondContact OE1-NZ 3.32Å
301	T	58.7	Low	50.7	Low	36 Å²	36	93 Å²	93	22%	0.221	44%	0.443	C	S	.	.	H	α-helix	trans	-61.8	-47	171.5	-62.7	0	0	0	0	110.8	Q297 I298 R303 G305 H381	Q297-T301 WeakPolarHBondContact O-CB 3.3Å; Q297-T301 PolarHBondContact O-N 3.07Å; Q297-T301 PolarHBondContact O-OG1 3.48Å; I298-T301 PolarHBondContact O-N 2.82Å; T301-R303 VanDerWaalsContact C-N 3.31Å; T301-R303 PolarHBondContact O-N 3.15Å; T301-G305 PolarHBondContact O-N 2.91Å; T301-H381 PolarHBondContact O-CE1 2.82Å; T301-H381 VanDerWaalsContact O-CE1 3.22Å; T301-H381 PolarHBondContact O-NE2 2.87Å
302	L	54	Low	49.3	Very low	42 Å²	42	97 Å²	97	22%	0.22	48%	0.477	C	S	.	.	H	α-helix	trans	-60.5	-39.7	175	-72.8	170.1	0	0	0	112	S257 I298 R299 G305	S257-L302 PolarHBondContact OG-O 2.77Å; I298-L302 HydrophobicContact CG2-CD1 3.85Å; I298-L302 HydrophobicContact CG2-CG 4.32Å; I298-L302 VanDerWaalsContact O-CB 3.31Å; I298-L302 WeakPolarHBondContact O-CB 3.21Å; I298-L302 WeakPolarHBondContact O-CG 3.48Å; I298-L302 PolarHBondContact O-N 2.93Å; R299-L302 PolarHBondContact O-N 3.34Å; L302-G305 PolarHBondContact O-N 2.96Å
303	R	48.6	Very low	47.8	Very low	150 Å²	150	95.4 Å²	95.4	57%	0.566	48%	0.483	S	S	*	.	H	α-helix	trans	-71.8	-46.8	179.1	-172	178.4	179.1	161.3	6.8	112.1	R299 E300 T301 G305 L306 E307	R299-R303 WeakPolarHBondContact O-CB 3.4Å; R299-R303 PolarHBondContact O-N 3.48Å; E300-R303 PolarHBondContact O-N 2.76Å; T301-R303 VanDerWaalsContact C-N 3.31Å; T301-R303 PolarHBondContact O-N 3.15Å; R303-G305 PolarHBondContact O-N 3.43Å; R303-L306 WeakPolarHBondContact O-CB 3.4Å; R303-L306 PolarHBondContact O-N 3.41Å; R303-E307 IonicContact NE-OE1 3.67Å; R303-E307 PolarHBondContact O-N 2.86Å
304	K	53.2	Low	46.4	Very low	102 Å²	102	95.5 Å²	95.5	44%	0.443	49%	0.491	S	S	.	.	H	α-helix	trans	-59.4	-32.3	173	-76.3	177.8	-178.5	166.5	0	111.8	E300 L306 E307 F308	E300-K304 HydrophobicContact CG-CD 4.27Å; E300-K304 HydrophobicContact CG-CG 4.48Å; E300-K304 VanDerWaalsContact O-CB 3.32Å; E300-K304 WeakPolarHBondContact O-CB 3.4Å; E300-K304 VanDerWaalsContact O-CG 3.32Å; E300-K304 WeakPolarHBondContact O-CG 3.42Å; E300-K304 PolarHBondContact O-N 2.86Å; E300-K304 WeakPolarHBondContact OE1-CE 3.3Å; E300-K304 IonicContact OE1-NZ 2.66Å; E300-K304 PolarHBondContact OE1-NZ 3.32Å; K304-L306 PolarHBondContact O-N 3.06Å; K304-E307 PolarHBondContact O-N 3.14Å; K304-F308 WeakPolarHBondContact O-CD2 3.37Å
305	G	43.9	Very low	44.9	Very low	8 Å²	8	99.5 Å²	99.5	8%	0.082	52%	0.518	C	S	.	.	H	α-helix	trans	-62.6	-18.8	172.5	0	0	0	0	0	115.1	T301 L302 R303	T301-G305 PolarHBondContact O-N 2.91Å; L302-G305 PolarHBondContact O-N 2.96Å; R303-G305 PolarHBondContact O-N 3.43Å
306	L	38.7	Very low	43.3	Very low	113 Å²	113	104.8 Å²	104.8	59%	0.592	55%	0.552	S	S	*	*	H	α-helix	trans	-92.9	-23.9	174.8	-63.6	164.4	0	0	0	112.6	R303 K304 F308	R303-L306 WeakPolarHBondContact O-CB 3.4Å; R303-L306 PolarHBondContact O-N 3.41Å; K304-L306 PolarHBondContact O-N 3.06Å; L306-F308 VanDerWaalsContact C-N 3.34Å; L306-F308 PolarHBondContact O-N 2.92Å
307	E	39.6	Very low	41.6	Very low	96 Å²	96	107.7 Å²	107.7	45%	0.449	57%	0.57	S	S	.	*	H	α-helix	trans	-81.6	-6.3	-173.3	-69.4	173.8	178.5	0	0	114.1	R303 K304 N309 S310	R303-E307 IonicContact NE-OE1 3.67Å; R303-E307 PolarHBondContact O-N 2.86Å; K304-E307 PolarHBondContact O-N 3.14Å; E307-N309 PolarHBondContact O-N 3.2Å; E307-N309 VanDerWaalsContact O-N 3.15Å; E307-S310 PolarHBondContact O-N 2.97Å; E307-S310 PolarHBondContact O-OG 3.43Å
308	F	36	Very low	39.7	Very low	178 Å²	178	108.1 Å²	108.1	78%	0.781	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	-5.6	-176.6	-91.9	-81.5	0	0	0	115.5	K304 L306	K304-F308 WeakPolarHBondContact O-CD2 3.37Å; L306-F308 VanDerWaalsContact C-N 3.34Å; L306-F308 PolarHBondContact O-N 2.92Å
309	N	31.6	Very low	38.1	Very low	127 Å²	127	113.7 Å²	113.7	68%	0.679	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.8	-1.2	174.8	-96.5	-14.8	0	0	0	115.1	E307 K311	E307-N309 PolarHBondContact O-N 3.2Å; E307-N309 VanDerWaalsContact O-N 3.15Å; N309-K311 PolarHBondContact O-N 3.34Å
310	S	31.1	Very low	36.7	Very low	91 Å²	91	116 Å²	116	64%	0.636	64%	0.639	S	S	*	*			trans	-89.3	92.1	172.7	40.9	0	0	0	0	111.1	E307 A312	E307-S310 PolarHBondContact O-N 2.97Å; E307-S310 PolarHBondContact O-OG 3.43Å; S310-A312 PolarHBondContact O-N 3.4Å
311	K	29.1	Very low	35.2	Very low	214 Å²	214	121.3 Å²	121.3	93%	0.93	66%	0.661	S	S	*	*			trans	-65.8	106.8	160.3	-93.5	-176.1	178.2	173.8	0	109.3	N309	N309-K311 PolarHBondContact O-N 3.34Å
312	A	26.6	Very low	33.8	Very low	98 Å²	98	128.2 Å²	128.2	81%	0.81	69%	0.691	S	S	*	*			trans	76.7	109.3	156.2	0	0	0	0	0	119.6	S310	S310-A312 PolarHBondContact O-N 3.4Å
313	A	25.9	Very low	32.4	Very low	105 Å²	105	134.1 Å²	134.1	87%	0.868	72%	0.722	S	S	*	*				-145.6	140.3	128.8	0	0	0	0	0	109.2
314	L	27.3	Very low	31.5	Very low	168 Å²	168	135.1 Å²	135.1	88%	0.88	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-62.8	161.7	-165.7	-71.2	158.5	0	0	0	115.1
315	P	27.6	Very low	30.3	Very low	104 Å²	104	138.3 Å²	138.3	68%	0.675	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-73.6	149.5	179.4	31	-34.5	0	0	0	112.1	I317	P315-I317 PolarHBondContact O-N 3.49Å
316	P	28.3	Very low	29.6	Very low	130 Å²	130	148.2 Å²	148.2	84%	0.844	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-70.2	128.4	173.4	26.3	-29.9	0	0	0	110.9
317	I	27.3	Very low	29	Very low	161 Å²	161	147.7 Å²	147.7	83%	0.826	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-66.7	130.4	175.3	-68.8	169.7	0	0	0	109.6	P315	P315-I317 PolarHBondContact O-N 3.49Å
318	S	25.8	Very low	28.6	Very low	109 Å²	109	151.2 Å²	151.2	76%	0.762	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-62.7	134.8	172.2	55.1	0	0	0	0	111.8
319	S	26.9	Very low	28.2	Very low	119 Å²	119	148.6 Å²	148.6	83%	0.832	82%	0.822	S	S	*	*			trans	-127.8	95.9	159	47	0	0	0	0	109.4	K321	S319-K321 PolarHBondContact O-N 2.93Å
320	Q	28.8	Very low	28.2	Very low	189 Å²	189	153.5 Å²	153.5	88%	0.883	83%	0.831	S	S	*	*			trans	-60.6	127.9	156.6	-80.2	178.2	-25.7	0	0	108.8
321	K	29.4	Very low	28.1	Very low	207 Å²	207	157.7 Å²	157.7	90%	0.9	84%	0.838	S	S	*	*			trans	-153.4	118.4	136.3	-109.3	170.9	-172.9	-179.3	0	110.3	S319	S319-K321 PolarHBondContact O-N 2.93Å
322	Q	29.8	Very low	27.9	Very low	182 Å²	182	153.7 Å²	153.7	85%	0.85	83%	0.827	S	S	*	*			trans	-59.8	147	172	-68.8	168.9	-30	0	0	111.4
323	N	25.5	Very low	27.9	Very low	165 Å²	165	154 Å²	154	88%	0.882	82%	0.823	S	S	*	*				-155.3	134.6	124.3	-110.9	-9.2	0	0	0	111.7
324	H	29.1	Very low	28	Very low	171 Å²	171	156.7 Å²	156.7	79%	0.792	82%	0.822	S	S	*	*			trans	-61.5	139.8	170.1	-89.5	-82.7	0	0	0	110.9
325	D	27.2	Very low	28	Very low	170 Å²	170	157.8 Å²	157.8	91%	0.909	82%	0.823	S	S	*	*				-159.4	144.7	123.6	-103.5	-31	0	0	0	113.2
326	R	28.8	Very low	28.2	Very low	216 Å²	216	158.6 Å²	158.6	82%	0.815	83%	0.831	S	S	*	*			trans	-101.6	131.4	-164.5	-169.7	-174.3	-168.1	-175.2	4.4	108.8
327	A	26.5	Very low	28.1	Very low	101 Å²	101	161.4 Å²	161.4	84%	0.835	83%	0.833	S	S	*	*			trans	-143.2	112.8	161.1	0	0	0	0	0	111
328	Q	32.4	Very low	28.3	Very low	171 Å²	171	159.3 Å²	159.3	80%	0.799	83%	0.832	S	S	*	*			trans	-73	136	167	-75.5	167.4	-36.4	0	0	109.4
329	S	27.9	Very low	28.6	Very low	123 Å²	123	160.5 Å²	160.5	86%	0.86	84%	0.841	S	S	*	*			trans	-142.3	131.6	151.6	-168.9	0	0	0	0	110.2
330	R	30	Very low	28.9	Very low	230 Å²	230	158.3 Å²	158.3	87%	0.868	83%	0.83	S	S	*	*			trans	-89.7	162.6	-179.6	-70.1	173.3	169.4	175.7	-4.3	110
331	K	28.9	Very low	29	Very low	178 Å²	178	153.3 Å²	153.3	77%	0.774	82%	0.821	S	S	*	*			trans	105.2	138.9	163.8	-71.4	-170	128.9	-135	0	114.5
332	D	24.9	Very low	29.4	Very low	131 Å²	131	151 Å²	151	70%	0.701	82%	0.816	S	S	*	*			cis	-147.5	158.7	7.5	-100.4	-33.1	0	0	0	109.3
333	S	26.6	Very low	29.8	Very low	105 Å²	105	145.4 Å²	145.4	73%	0.734	80%	0.795	S	S	*	*			trans	-94.4	171.2	-178.2	-165.2	0	0	0	0	111.6
334	L	28.8	Very low	30.3	Very low	161 Å²	161	141.3 Å²	141.3	84%	0.843	78%	0.777	S	S	*	*			trans	95.9	126	171.8	-52.7	161.2	0	0	0	112.7
335	E	28.2	Very low	30.9	Very low	190 Å²	190	138.7 Å²	138.7	89%	0.888	77%	0.765	S	S	*	*			cis	-145.6	149.6	39.8	-70.3	176.2	154.5	0	0	113.4
336	S	30.6	Very low	31.7	Very low	121 Å²	121	139.5 Å²	139.5	85%	0.846	76%	0.763	S	S	*	*			trans	-74.1	142.7	175	-68.2	0	0	0	0	112.6
337	E	27.6	Very low	32.6	Very low	189 Å²	189	134.2 Å²	134.2	88%	0.883	75%	0.75	S	S	*	*			trans	-158.8	132.4	138.1	-113	176	-158.7	0	0	113
338	S	30	Very low	34	Very low	117 Å²	117	132.2 Å²	132.2	82%	0.818	73%	0.728	S	S	*	*			trans	70.7	104.8	169.1	75.1	0	0	0	0	119.1	A340	S338-A340 PolarHBondContact O-N 3.11Å; S338-A340 VanDerWaalsContact O-N 3.07Å
339	S	32.5	Very low	36.1	Very low	135 Å²	135	133.9 Å²	133.9	94%	0.944	73%	0.727	S	S	*	*			trans	-71.2	90.3	170.6	-49.8	0	0	0	0	111.4
340	A	33.1	Very low	38.9	Very low	73 Å²	73	131 Å²	131	60%	0.603	71%	0.705	S	S	*	*			trans	-104.8	122.1	147.8	0	0	0	0	0	106.6	S338 I342	S338-A340 PolarHBondContact O-N 3.11Å; S338-A340 VanDerWaalsContact O-N 3.07Å; A340-I342 PolarHBondContact O-N 3.3Å
341	A	32.3	Very low	41.8	Very low	83 Å²	83	125 Å²	125	69%	0.686	68%	0.682	S	S	*	*			trans	-57.7	101.7	-179.1	0	0	0	0	0	110.2	V343	A341-V343 VanDerWaalsContact C-N 3.32Å; A341-V343 PolarHBondContact O-N 2.9Å
342	I	36.8	Very low	44.8	Very low	159 Å²	159	122.3 Å²	122.3	82%	0.815	67%	0.672	S	S	*	*			trans	-69.3	97.2	166.7	-61.8	172.7	0	0	0	105.5	A340 P344	A340-I342 PolarHBondContact O-N 3.3Å; I342-P344 WeakPolarHBondContact O-CD 3.48Å
343	V	37.7	Very low	48.1	Very low	65 Å²	65	116.7 Å²	116.7	39%	0.394	64%	0.642	S	S	.	*			trans	-67.2	123.9	168.1	-177.6	0	0	0	0	106.7	A341 L347	A341-V343 VanDerWaalsContact C-N 3.32Å; A341-V343 PolarHBondContact O-N 2.9Å; V343-L347 HydrophobicContact CG1-CB 3.81Å; V343-L347 HydrophobicContact CG1-CD1 3.39Å; V343-L347 HydrophobicContact CG1-CG 4.22Å
344	P	36.7	Very low	51.2	Low	79 Å²	79	117.4 Å²	117.4	51%	0.513	63%	0.634	S	S	.	*			trans	-54.5	141.3	179.4	-26	33.1	0	0	0	112.1	I342 E346 L347	I342-P344 WeakPolarHBondContact O-CD 3.48Å; P344-E346 PolarHBondContact O-N 2.77Å; P344-L347 PolarHBondContact O-N 3.36Å; P344-L347 VanDerWaalsContact O-N 3.11Å
345	H	40.7	Very low	54.3	Low	116 Å²	116	110.7 Å²	110.7	54%	0.537	60%	0.6	S	S	.	*	G	3₁₀ helix	trans	-50.9	-21.6	-179.5	-121.5	-73.6	0	0	0	115.2	S291 L347	S291-H345 WeakPolarHBondContact CB-CE1 3.45Å; S291-H345 WeakPolarHBondContact CB-NE2 3.31Å; S291-H345 PolarHBondContact OG-CE1 2.95Å; S291-H345 VanDerWaalsContact OG-CE1 3.23Å; H345-L347 PolarHBondContact O-N 3.5Å
346	E	44.3	Very low	57.6	Low	187 Å²	187	101.7 Å²	101.7	87%	0.874	56%	0.558	S	S	*	*	G	3₁₀ helix	trans	-71.4	-1.5	179.3	-61.9	-177.7	170.5	0	0	114	P344	P344-E346 PolarHBondContact O-N 2.77Å
347	L	47.2	Very low	60.8	Low	104 Å²	104	96.7 Å²	96.7	55%	0.545	52%	0.521	S	S	.	.	G	3₁₀ helix	trans	-107.6	-0.6	-177	-75.6	153	0	0	0	114.5	V343 P344 H345 R349	V343-L347 HydrophobicContact CG1-CB 3.81Å; V343-L347 HydrophobicContact CG1-CD1 3.39Å; V343-L347 HydrophobicContact CG1-CG 4.22Å; P344-L347 PolarHBondContact O-N 3.36Å; P344-L347 VanDerWaalsContact O-N 3.11Å; H345-L347 PolarHBondContact O-N 3.5Å; L347-R349 PolarHBondContact O-N 3.07Å
348	V	57.2	Low	64.1	Low	60 Å²	60	87.7 Å²	87.7	36%	0.364	48%	0.479	S	S	.	.			trans	-73.1	98.6	172.4	-175.3	0	0	0	0	108	H414	V348-H414 PolarHBondContact O-CE1 3.13Å
349	R	76.8	Confident	67.2	Low	205 Å²	205	84.5 Å²	84.5	77%	0.774	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-80.9	136.7	174.8	-71.9	-174.7	176.4	-177.6	-1.1	109.6	L347 R351	L347-R349 PolarHBondContact O-N 3.07Å; R349-R351 PolarHBondContact O-N 2.69Å
350	T	86.1	Confident	70.2	Confident	64 Å²	64	78.1 Å²	78.1	39%	0.393	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-61	125.8	165.3	-55.6	0	0	0	0	108.8	F404 A412 A413 H414	T350-F404 HydrophobicContact CG2-CB 4.21Å; T350-F404 HydrophobicContact CG2-CD2 3.69Å; T350-F404 HydrophobicContact CG2-CE2 4.34Å; T350-F404 HydrophobicContact CG2-CG 4.1Å; T350-A412 HydrophobicContact CG2-CB 4.19Å; T350-A413 CarbonylContact C-O 3.58Å; T350-A413 WeakPolarHBondContact CA-O 3.26Å; T350-H414 PolarHBondContact OG1-ND1 3.17Å; T350-H414 VanDerWaalsContact OG1-ND1 3.14Å
351	R	90.7	Very high	73	Confident	102 Å²	102	74.8 Å²	74.8	39%	0.385	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	133.5	177.6	-62.5	-177.7	-66.5	166.7	0.5	108.7	R349 L353 A412 A413	R349-R351 PolarHBondContact O-N 2.69Å; R351-L353 HydrophobicContact CB-CD2 4.45Å; R351-A412 CarbonylContact O-C 3.58Å; R351-A412 VanDerWaalsContact O-CA 3.25Å; R351-A412 WeakPolarHBondContact O-CA 3.42Å; R351-A413 PolarHBondContact N-O 3.2Å; R351-A413 PolarHBondContact O-N 3.08Å
352	Q	92.9	Very high	75.7	Confident	122 Å²	122	73.5 Å²	73.5	57%	0.57	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.4	136.3	167.8	-66.3	170.7	-22.2	0	0	108.1	H409	Q352-H409 HydrophobicContact CB-CB 4.48Å; Q352-H409 HydrophobicContact CG-CB 3.97Å; Q352-H409 PolarHBondContact NE2-CD2 2.94Å; Q352-H409 PolarHBondContact NE2-ND1 3.31Å; Q352-H409 PolarHBondContact OE1-CD2 2.82Å; Q352-H409 PolarHBondContact OE1-NE2 2.95Å
353	L	93.3	Very high	78.1	Confident	13 Å²	13	72.9 Å²	72.9	7%	0.068	35%	0.351	C	S	.	.			trans	-113.3	141.2	-177.9	-51.4	176.3	0	0	0	108.8	W265 D267 R351 V356 Y411 A413 L418	W265-L353 HydrophobicContact CE3-CD1 4.32Å; W265-L353 HydrophobicContact CH2-CD1 4.11Å; W265-L353 HydrophobicContact CZ3-CD1 3.62Å; D267-L353 HydrophobicContact CB-CD2 4.34Å; D267-L353 WeakPolarHBondContact OD2-CD2 3.48Å; R351-L353 HydrophobicContact CB-CD2 4.45Å; L353-V356 HydrophobicContact CB-CG2 4.09Å; L353-V356 HydrophobicContact CD1-CG2 3.87Å; L353-Y411 PolarHBondContact N-O 3.3Å; L353-A413 HydrophobicContact CD1-CB 4.11Å; L353-L418 HydrophobicContact CD1-CD1 3.68Å
354	E	91.5	Very high	80.6	Confident	121 Å²	121	69.9 Å²	69.9	57%	0.565	33%	0.333	S	S	*	.	S	Bend	trans	-90.1	-30.3	178.5	-169.1	176.5	174.7	0	0	112	K455	E354-K455 HydrophobicContact CG-CD 3.83Å; E354-K455 VanDerWaalsContact O-CB 3.27Å; E354-K455 WeakPolarHBondContact O-CB 3.18Å; E354-K455 WeakPolarHBondContact O-CD 3.43Å; E354-K455 IonicContact OE1-NZ 2.61Å; E354-K455 PolarHBondContact OE1-NZ 2.91Å
355	S	94.6	Very high	83.2	Confident	20 Å²	20	66.1 Å²	66.1	14%	0.14	31%	0.309	C	S	.	.			trans	-146.6	140	-179.8	-172.6	0	0	0	0	111.5	L268 K455	L268-S355 WeakPolarHBondContact CB-OG 3.33Å; L268-S355 PolarHBondContact N-O 3.43Å; S355-K455 VanDerWaalsContact CA-O 3.26Å; S355-K455 WeakPolarHBondContact CA-O 3.39Å; S355-K455 WeakPolarHBondContact CB-O 3.3Å; S355-K455 PolarHBondContact OG-O 3.16Å
356	V	96.4	Very high	85.5	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	138.5	-175.2	177	0	0	0	0	111.1	L353 L358 Y411 L418 I420 K455 L456 K457	L353-V356 HydrophobicContact CB-CG2 4.09Å; L353-V356 HydrophobicContact CD1-CG2 3.87Å; V356-L358 HydrophobicContact CG1-CD2 3.54Å; V356-L358 HydrophobicContact CG1-CG 4.21Å; V356-Y411 HydrophobicContact CG2-CD1 4.43Å; V356-Y411 HydrophobicContact CG2-CD2 4.12Å; V356-Y411 HydrophobicContact CG2-CG 3.81Å; V356-L418 HydrophobicContact CG1-CD2 3.76Å; V356-L418 HydrophobicContact CG2-CD1 4.38Å; V356-I420 HydrophobicContact CG1-CD1 4.35Å; V356-K455 PolarHBondContact N-O 3.02Å; V356-K455 VanDerWaalsContact N-O 3.09Å; V356-L456 HydrophobicContact CB-CD1 4.32Å; V356-K457 PolarHBondContact O-N 2.91Å
357	H	97.4	Very high	87.8	Confident	17 Å²	17	55.6 Å²	55.6	8%	0.079	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	117.7	167.3	-169.8	-179.5	0	0	0	110	W265 D266 L268 K359 K457 S459	W265-H357 CarbonylContact C-O 3.57Å; W265-H357 WeakPolarHBondContact CA-O 3.43Å; D266-H357 HydrophobicContact CB-CB 4.37Å; D266-H357 PolarHBondContact N-O 3.19Å; D266-H357 PolarHBondContact O-N 2.94Å; L268-H357 HydrophobicContact CD1-CB 3.83Å; L268-H357 HydrophobicContact CD2-CB 4.06Å; L268-H357 HydrophobicContact CG-CB 3.83Å; H357-K359 VanDerWaalsContact CE1-CE 3.45Å; H357-K359 WeakPolarHBondContact CE1-CE 3.32Å; H357-K359 WeakPolarHBondContact ND1-CE 3.15Å; H357-K457 CarbonylContact C-O 3.41Å; H357-K457 WeakPolarHBondContact CA-O 3.4Å; H357-K457 HydrophobicContact CB-CB 4.44Å; H357-K457 PolarHBondContact CD2-O 3.33Å; H357-S459 PolarHBondContact CE1-OG 3.26Å; H357-S459 WeakPolarHBondContact NE2-CB 3.41Å; H357-S459 PolarHBondContact NE2-OG 2.99Å
358	L	97.6	Very high	90.1	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	137.9	171.5	-48.7	-179.5	0	0	0	110.6	W265 V356 F360 I393 F395 L418 I420 L456 K457 I458 S459	W265-L358 HydrophobicContact CB-CD2 3.7Å; V356-L358 HydrophobicContact CG1-CD2 3.54Å; V356-L358 HydrophobicContact CG1-CG 4.21Å; L358-F360 HydrophobicContact CB-CD2 4.32Å; L358-F360 HydrophobicContact CB-CE2 3.55Å; L358-F360 HydrophobicContact CB-CZ 4.16Å; L358-F360 HydrophobicContact CD1-CE2 4.11Å; L358-F360 HydrophobicContact CD1-CZ 4.31Å; L358-F360 HydrophobicContact CG-CE2 4.48Å; L358-I393 HydrophobicContact CD1-CG2 4.38Å; L358-I393 HydrophobicContact CD2-CD1 4.14Å; L358-I393 HydrophobicContact CD2-CG1 4.46Å; L358-I393 HydrophobicContact CD2-CG2 4.12Å; L358-F395 HydrophobicContact CD1-CE1 4.02Å; L358-F395 HydrophobicContact CD1-CE2 4.46Å; L358-F395 HydrophobicContact CD1-CZ 3.53Å; L358-L418 HydrophobicContact CD2-CD2 3.65Å; L358-I420 HydrophobicContact CD1-CD1 3.57Å; L358-I420 HydrophobicContact CD2-CD1 3.7Å; L358-I420 HydrophobicContact CG-CD1 4.03Å; L358-L456 HydrophobicContact CD1-CD1 4.32Å; L358-L456 HydrophobicContact CG-CD1 4.26Å; L358-K457 PolarHBondContact N-O 3.18Å; L358-I458 HydrophobicContact CB-CG1 4.17Å; L358-I458 HydrophobicContact CD1-CD1 4.31Å; L358-I458 HydrophobicContact CD1-CG1 4.14Å; L358-I458 HydrophobicContact CG-CG1 4.42Å; L358-I458 CarbonylContact O-C 3.54Å; L358-I458 WeakPolarHBondContact O-CA 3.35Å; L358-S459 PolarHBondContact O-N 3.34Å
359	K	96.4	Very high	91.8	Very high	50 Å²	50	48.7 Å²	48.7	22%	0.217	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	126.2	179.8	-65.5	171.4	178.4	168.7	0	109.2	C263 V264 D266 H357 S459 L461 F466	C263-K359 CarbonylContact C-O 3.5Å; C263-K359 VanDerWaalsContact CA-O 3.24Å; C263-K359 WeakPolarHBondContact CA-O 3.3Å; V264-K359 HydrophobicContact CG1-CB 3.71Å; V264-K359 HydrophobicContact CG1-CD 3.9Å; V264-K359 HydrophobicContact CG1-CG 4.37Å; V264-K359 PolarHBondContact N-O 2.98Å; V264-K359 PolarHBondContact O-N 3.2Å; D266-K359 WeakPolarHBondContact OD2-CE 3.35Å; D266-K359 IonicContact OD2-NZ 2.79Å; D266-K359 PolarHBondContact OD2-NZ 3.15Å; H357-K359 VanDerWaalsContact CE1-CE 3.45Å; H357-K359 WeakPolarHBondContact CE1-CE 3.32Å; H357-K359 WeakPolarHBondContact ND1-CE 3.15Å; K359-S459 WeakPolarHBondContact CA-O 3.48Å; K359-L461 HydrophobicContact CB-CD1 3.98Å; K359-L461 HydrophobicContact CD-CD1 3.93Å; K359-L461 HydrophobicContact CG-CD1 3.89Å; K359-F466 HydrophobicContact CB-CE1 4.35Å; K359-F466 HydrophobicContact CB-CZ 4.32Å
360	F	94.8	Very high	92.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	149.6	-179.3	-63.7	-80.7	0	0	0	109.7	C263 L358 S364 L368 Y384 I393 F395 I458 S459 I460 L461	C263-F360 HydrophobicContact CB-CD1 3.61Å; C263-F360 HydrophobicContact CB-CE1 3.78Å; L358-F360 HydrophobicContact CB-CD2 4.32Å; L358-F360 HydrophobicContact CB-CE2 3.55Å; L358-F360 HydrophobicContact CB-CZ 4.16Å; L358-F360 HydrophobicContact CD1-CE2 4.11Å; L358-F360 HydrophobicContact CD1-CZ 4.31Å; L358-F360 HydrophobicContact CG-CE2 4.48Å; F360-S364 WeakPolarHBondContact CB-OG 3.26Å; F360-L368 HydrophobicContact CD2-CD1 4.24Å; F360-L368 HydrophobicContact CE2-CD1 4.4Å; F360-L368 HydrophobicContact CE2-CD2 4.12Å; F360-L368 HydrophobicContact CZ-CD2 4.26Å; F360-Y384 HydrophobicContact CD1-CD1 4.21Å; F360-Y384 HydrophobicContact CD1-CE1 4.35Å; F360-Y384 AromaticContact CE1-CD1 3.84Å; F360-Y384 HydrophobicContact CE1-CD1 3.84Å; F360-Y384 AromaticContact CE1-CD2 3.87Å; F360-Y384 HydrophobicContact CE1-CD2 3.87Å; F360-Y384 HydrophobicContact CE1-CE1 4.12Å; F360-Y384 HydrophobicContact CE1-CE2 4.15Å; F360-Y384 AromaticContact CE1-CG 3.72Å; F360-Y384 HydrophobicContact CE1-CG 3.72Å; F360-Y384 HydrophobicContact CZ-CD2 4.32Å; F360-Y384 HydrophobicContact CZ-CE2 4.45Å; F360-I393 HydrophobicContact CE1-CD1 4.19Å; F360-I393 HydrophobicContact CZ-CD1 4.07Å; F360-F395 HydrophobicContact CZ-CE2 4.24Å; F360-F395 HydrophobicContact CZ-CZ 4.38Å; F360-I458 HydrophobicContact CD2-CG2 4.02Å; F360-I458 HydrophobicContact CE2-CG2 4.23Å; F360-S459 PolarHBondContact N-O 3.37Å; F360-I460 HydrophobicContact CB-CD1 3.95Å; F360-I460 HydrophobicContact CD2-CD1 4.45Å; F360-I460 CarbonylContact O-C 3.53Å; F360-I460 WeakPolarHBondContact O-CA 3.43Å; F360-L461 PolarHBondContact O-N 2.75Å
361	N	92	Very high	93	Very high	3 Å²	3	36.8 Å²	36.8	2%	0.016	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	174.1	163.2	82.9	-30.9	0	0	0	111	K262 E363 S364 G365 L461 D463 F466	K262-N361 HydrophobicContact CB-CB 3.85Å; K262-N361 HydrophobicContact CD-CB 4.44Å; K262-N361 PolarHBondContact O-N 2.69Å; N361-E363 PolarHBondContact O-N 2.91Å; N361-S364 PolarHBondContact N-OG 3.49Å; N361-S364 PolarHBondContact O-N 2.9Å; N361-S364 PolarHBondContact O-OG 2.68Å; N361-S364 VanDerWaalsContact OD1-CB 3.31Å; N361-S364 WeakPolarHBondContact OD1-CB 3.35Å; N361-S364 PolarHBondContact OD1-N 2.96Å; N361-S364 PolarHBondContact OD1-OG 3.42Å; N361-G365 PolarHBondContact O-N 2.83Å; N361-L461 WeakPolarHBondContact CA-O 3.39Å; N361-D463 VanDerWaalsContact CB-OD1 3.24Å; N361-D463 WeakPolarHBondContact CB-OD1 3.4Å; N361-D463 PolarHBondContact ND2-OD1 3.41Å; N361-F466 HydrophobicContact CB-CD2 3.96Å; N361-F466 HydrophobicContact CB-CE2 3.71Å; N361-F466 HydrophobicContact CB-CZ 4.46Å
362	Q	89.3	Confident	93.3	Very high	56 Å²	56	31.9 Å²	31.9	26%	0.262	16%	0.158	S	C	.	.	H	α-helix	trans	-54.9	-51.6	179.9	-177	64	28.9	0	0	111.9	S364 G365 T366 L445	Q362-S364 PolarHBondContact O-N 2.85Å; Q362-G365 PolarHBondContact O-N 2.89Å; Q362-T366 WeakPolarHBondContact O-CG2 3.37Å; Q362-T366 PolarHBondContact O-N 3.11Å; Q362-T366 VanDerWaalsContact O-N 3.08Å; Q362-L445 HydrophobicContact CB-CD1 4.3Å
363	E	87.2	Confident	93.4	Very high	146 Å²	146	30 Å²	30	68%	0.682	15%	0.146	S	C	*	.	H	α-helix	trans	-57.3	-52.1	-176.9	-174.9	-177.9	-176.3	0	0	111.9	N361 G365 T366	N361-E363 PolarHBondContact O-N 2.91Å; E363-G365 VanDerWaalsContact C-N 3.35Å; E363-G365 PolarHBondContact O-N 3.33Å; E363-T366 PolarHBondContact O-N 2.84Å; E363-T366 PolarHBondContact O-OG1 3.49Å
364	S	90.1	Very high	93.5	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.014	14%	0.143	C	C	.	.	H	α-helix	trans	-68.7	-32.6	178.6	59.6	0	0	0	0	113.4	K262 F360 N361 Q362 T366 L367 Y384	K262-S364 PolarHBondContact O-OG 2.91Å; F360-S364 WeakPolarHBondContact CB-OG 3.26Å; N361-S364 PolarHBondContact N-OG 3.49Å; N361-S364 PolarHBondContact O-N 2.9Å; N361-S364 PolarHBondContact O-OG 2.68Å; N361-S364 VanDerWaalsContact OD1-CB 3.31Å; N361-S364 WeakPolarHBondContact OD1-CB 3.35Å; N361-S364 PolarHBondContact OD1-N 2.96Å; N361-S364 PolarHBondContact OD1-OG 3.42Å; Q362-S364 PolarHBondContact O-N 2.85Å; S364-T366 VanDerWaalsContact C-N 3.3Å; S364-T366 PolarHBondContact O-N 2.86Å; S364-L367 WeakPolarHBondContact O-CB 3.5Å; S364-L367 PolarHBondContact O-N 2.85Å; S364-L367 VanDerWaalsContact O-N 3.15Å; S364-Y384 WeakPolarHBondContact O-CE1 3.12Å; S364-Y384 PolarHBondContact O-OH 2.95Å
365	G	91	Very high	93.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-59.9	-37.3	173.5	0	0	0	0	0	113.3	N361 Q362 E363 L367 L368	N361-G365 PolarHBondContact O-N 2.83Å; Q362-G365 PolarHBondContact O-N 2.89Å; E363-G365 VanDerWaalsContact C-N 3.35Å; E363-G365 PolarHBondContact O-N 3.33Å; G365-L367 PolarHBondContact O-N 3.07Å; G365-L368 WeakPolarHBondContact O-CB 3.47Å; G365-L368 PolarHBondContact O-N 3.47Å; G365-L368 VanDerWaalsContact O-N 3.11Å
366	T	89.4	Confident	93.7	Very high	61 Å²	61	23.3 Å²	23.3	37%	0.374	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-15.8	177.4	64.5	0	0	0	0	113.8	Q362 E363 S364 P369	Q362-T366 WeakPolarHBondContact O-CG2 3.37Å; Q362-T366 PolarHBondContact O-N 3.11Å; Q362-T366 VanDerWaalsContact O-N 3.08Å; E363-T366 PolarHBondContact O-N 2.84Å; E363-T366 PolarHBondContact O-OG1 3.49Å; S364-T366 VanDerWaalsContact C-N 3.3Å; S364-T366 PolarHBondContact O-N 2.86Å; T366-P369 WeakPolarHBondContact O-CD 3.38Å
367	L	91.9	Very high	93.7	Very high	21 Å²	21	26.1 Å²	26.1	11%	0.11	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-6.2	176.3	-62.6	174.6	0	0	0	113.3	V259 S364 G365 L370 C371 Y384	V259-L367 HydrophobicContact CB-CD1 4.21Å; V259-L367 HydrophobicContact CG1-CD1 3.9Å; V259-L367 HydrophobicContact CG2-CD1 4.07Å; S364-L367 WeakPolarHBondContact O-CB 3.5Å; S364-L367 PolarHBondContact O-N 2.85Å; S364-L367 VanDerWaalsContact O-N 3.15Å; G365-L367 PolarHBondContact O-N 3.07Å; L367-L370 HydrophobicContact CD2-CD2 4.09Å; L367-L370 WeakPolarHBondContact O-CB 3.41Å; L367-L370 PolarHBondContact O-N 2.82Å; L367-L370 VanDerWaalsContact O-N 3.15Å; L367-C371 WeakPolarHBondContact O-CB 3.24Å; L367-C371 PolarHBondContact O-N 3.02Å; L367-Y384 HydrophobicContact CB-CE1 4.28Å; L367-Y384 WeakPolarHBondContact CB-OH 3.43Å; L367-Y384 PolarHBondContact O-OH 3.07Å
368	L	94.8	Very high	93.6	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-58.6	-45.3	177.2	-74.3	168.2	0	0	0	112.5	F360 G365 L370 C371 L372 Y384 F395 L434 L437 I458 I460	F360-L368 HydrophobicContact CD2-CD1 4.24Å; F360-L368 HydrophobicContact CE2-CD1 4.4Å; F360-L368 HydrophobicContact CE2-CD2 4.12Å; F360-L368 HydrophobicContact CZ-CD2 4.26Å; G365-L368 WeakPolarHBondContact O-CB 3.47Å; G365-L368 PolarHBondContact O-N 3.47Å; G365-L368 VanDerWaalsContact O-N 3.11Å; L368-L370 VanDerWaalsContact C-N 3.29Å; L368-L370 PolarHBondContact O-N 2.94Å; L368-C371 WeakPolarHBondContact O-CB 3.31Å; L368-C371 PolarHBondContact O-N 2.71Å; L368-L372 WeakPolarHBondContact O-CB 3.43Å; L368-L372 VanDerWaalsContact O-CG 3.3Å; L368-L372 WeakPolarHBondContact O-CG 3.38Å; L368-L372 PolarHBondContact O-N 3.44Å; L368-Y384 HydrophobicContact CD2-CE2 4.39Å; L368-Y384 PolarHBondContact N-OH 2.79Å; L368-F395 HydrophobicContact CD2-CE2 4.24Å; L368-F395 HydrophobicContact CD2-CZ 4.02Å; L368-L434 HydrophobicContact CB-CD1 4.39Å; L368-L437 HydrophobicContact CD1-CD1 4.04Å; L368-I458 HydrophobicContact CD1-CG2 3.96Å; L368-I460 HydrophobicContact CD1-CD1 4.12Å
369	P	93.7	Very high	93.4	Very high	20 Å²	20	29.8 Å²	29.8	13%	0.13	15%	0.154	C	C	.	.	H	α-helix	trans	-57.5	-39.4	173.8	-26.4	36	0	0	0	113.4	T366 L372 R373 L431	T366-P369 WeakPolarHBondContact O-CD 3.38Å; P369-L372 PolarHBondContact O-N 2.89Å; P369-R373 VanDerWaalsContact O-CB 3.22Å; P369-R373 WeakPolarHBondContact O-CB 3.4Å; P369-R373 PolarHBondContact O-N 2.93Å; P369-L431 HydrophobicContact CB-CD2 4.41Å
370	L	93.3	Very high	93.4	Very high	18 Å²	18	30.3 Å²	30.3	9%	0.094	16%	0.155	C	C	.	.	I	π-helix	trans	-65.5	-46.4	176.3	179.8	70.3	0	0	0	111.6	Q202 I249 L256 L367 L368 L372 G374 R375	Q202-L370 HydrophobicContact CB-CD1 4.45Å; Q202-L370 HydrophobicContact CB-CD2 4.06Å; Q202-L370 HydrophobicContact CG-CD2 3.87Å; I249-L370 HydrophobicContact CD1-CD1 3.89Å; I249-L370 HydrophobicContact CG1-CD1 4.37Å; I249-L370 HydrophobicContact CG2-CD1 3.69Å; L256-L370 HydrophobicContact CB-CD2 4.37Å; L256-L370 HydrophobicContact CD2-CD2 3.71Å; L367-L370 HydrophobicContact CD2-CD2 4.09Å; L367-L370 WeakPolarHBondContact O-CB 3.41Å; L367-L370 PolarHBondContact O-N 2.82Å; L367-L370 VanDerWaalsContact O-N 3.15Å; L368-L370 VanDerWaalsContact C-N 3.29Å; L368-L370 PolarHBondContact O-N 2.94Å; L370-L372 VanDerWaalsContact C-N 3.33Å; L370-L372 PolarHBondContact O-N 2.84Å; L370-G374 VanDerWaalsContact O-CA 3.24Å; L370-G374 WeakPolarHBondContact O-CA 3.47Å; L370-G374 PolarHBondContact O-N 2.98Å; L370-R375 PolarHBondContact O-N 3.23Å
371	C	95.7	Very high	93.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.159	C	C	.	.	I	π-helix	trans	-56.2	-47.5	175.4	167.9	0	0	0	0	111.2	L367 L368 R375 L376 F382 Y384 F395	L367-C371 WeakPolarHBondContact O-CB 3.24Å; L367-C371 PolarHBondContact O-N 3.02Å; L368-C371 WeakPolarHBondContact O-CB 3.31Å; L368-C371 PolarHBondContact O-N 2.71Å; C371-R375 VanDerWaalsContact O-CB 3.29Å; C371-R375 WeakPolarHBondContact O-CB 3.33Å; C371-R375 PolarHBondContact O-N 2.94Å; C371-L376 PolarHBondContact O-N 2.87Å; C371-L376 VanDerWaalsContact O-N 3.14Å; C371-F382 HydrophobicContact CB-CB 4.13Å; C371-F382 HydrophobicContact CB-CD1 3.79Å; C371-F382 HydrophobicContact CB-CD2 4.4Å; C371-F382 HydrophobicContact CB-CE1 4.31Å; C371-F382 HydrophobicContact CB-CG 3.84Å; C371-F382 VanDerWaalsContact SG-CB 3.55Å; C371-Y384 HydrophobicContact CB-CE2 4.38Å; C371-F395 VanDerWaalsContact SG-CD2 3.51Å
372	L	96.4	Very high	93.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.159	C	C	.	.	I	π-helix	trans	-72.6	-59.8	-178.3	-67.2	-178.2	0	0	0	112	L368 P369 L370 L376 L377 L422 V427 M430 L431 L434	L368-L372 WeakPolarHBondContact O-CB 3.43Å; L368-L372 VanDerWaalsContact O-CG 3.3Å; L368-L372 WeakPolarHBondContact O-CG 3.38Å; L368-L372 PolarHBondContact O-N 3.44Å; P369-L372 PolarHBondContact O-N 2.89Å; L370-L372 VanDerWaalsContact C-N 3.33Å; L370-L372 PolarHBondContact O-N 2.84Å; L372-L376 HydrophobicContact CD2-CD1 3.68Å; L372-L376 PolarHBondContact O-N 3.31Å; L372-L377 PolarHBondContact O-N 3.15Å; L372-L377 VanDerWaalsContact O-N 3.14Å; L372-L422 HydrophobicContact CD2-CD1 3.83Å; L372-V427 HydrophobicContact CB-CG1 3.88Å; L372-V427 HydrophobicContact CD2-CG1 4.22Å; L372-V427 HydrophobicContact CD2-CG2 4.39Å; L372-M430 HydrophobicContact CD1-CB 3.82Å; L372-M430 HydrophobicContact CD1-CE 4.29Å; L372-L431 HydrophobicContact CB-CD1 4.37Å; L372-L431 HydrophobicContact CB-CD2 3.74Å; L372-L431 HydrophobicContact CB-CG 3.96Å; L372-L431 HydrophobicContact CD1-CD2 4.17Å; L372-L431 HydrophobicContact CD1-CG 4.21Å; L372-L434 HydrophobicContact CD1-CD1 3.75Å
373	R	95.1	Very high	93.9	Very high	83 Å²	83	28.5 Å²	28.5	31%	0.313	15%	0.146	S	C	.	.	I	π-helix	trans	-74.1	-45.8	-173.7	-174.1	-179.7	-67.1	120.3	1.4	112.7	E250 P369 L377 H378 L431	E250-R373 HydrophobicContact CB-CG 4.39Å; E250-R373 HydrophobicContact CG-CG 4.29Å; P369-R373 VanDerWaalsContact O-CB 3.22Å; P369-R373 WeakPolarHBondContact O-CB 3.4Å; P369-R373 PolarHBondContact O-N 2.93Å; R373-L377 HydrophobicContact CG-CD1 4.42Å; R373-H378 PolarHBondContact O-CD2 2.89Å; R373-H378 VanDerWaalsContact O-CD2 3.29Å; R373-L431 HydrophobicContact CB-CD1 4Å; R373-L431 HydrophobicContact CB-CD2 4.09Å
374	G	93.9	Very high	94.3	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.114	C	C	.	.	I	π-helix	trans	-83.3	-14.9	-174.6	0	0	0	0	0	114.3	G253 S254 L370	G253-G374 CarbonylContact C-O 3.59Å; G253-G374 VanDerWaalsContact CA-O 3.27Å; G253-G374 WeakPolarHBondContact CA-O 3.33Å; S254-G374 PolarHBondContact N-O 2.9Å; L370-G374 VanDerWaalsContact O-CA 3.24Å; L370-G374 WeakPolarHBondContact O-CA 3.47Å; L370-G374 PolarHBondContact O-N 2.98Å
375	R	95.9	Very high	94.3	Very high	4 Å²	4	23.9 Å²	23.9	2%	0.015	12%	0.124	C	C	.	.	I	π-helix	trans	-124.9	-60.2	-176.9	-55.7	-77.8	-63.5	174.7	0.2	112.7	S254 L256 L370 C371 L377 H378 G379 R380 H381 F382	S254-R375 VanDerWaalsContact O-CD 3.23Å; S254-R375 WeakPolarHBondContact O-CD 3.36Å; S254-R375 PolarHBondContact O-NH1 2.91Å; L256-R375 VanDerWaalsContact O-CD 3.24Å; L256-R375 WeakPolarHBondContact O-CD 3.23Å; L256-R375 PolarHBondContact O-NE 2.93Å; L370-R375 PolarHBondContact O-N 3.23Å; C371-R375 VanDerWaalsContact O-CB 3.29Å; C371-R375 WeakPolarHBondContact O-CB 3.33Å; C371-R375 PolarHBondContact O-N 2.94Å; R375-L377 PolarHBondContact O-N 3.21Å; R375-H378 CarbonylContact O-C 3.58Å; R375-H378 WeakPolarHBondContact O-CA 3.38Å; R375-H378 WeakPolarHBondContact O-CB 3.34Å; R375-H378 PolarHBondContact O-N 2.84Å; R375-G379 PolarHBondContact O-N 2.91Å; R375-R380 HydrophobicContact CB-CB 4.21Å; R375-R380 WeakPolarHBondContact O-CB 3.12Å; R375-R380 PolarHBondContact O-N 2.6Å; R375-H381 VanDerWaalsContact CZ-O 3.24Å; R375-H381 PolarHBondContact NE-O 2.8Å; R375-H381 PolarHBondContact NH2-O 3.49Å; R375-F382 HydrophobicContact CB-CB 4.34Å; R375-F382 HydrophobicContact CG-CB 4.32Å; R375-F382 HydrophobicContact CG-CD2 3.96Å
376	L	96.4	Very high	94.2	Very high	8 Å²	8	24.6 Å²	24.6	4%	0.042	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-65.2	-43.5	-173.9	-58.9	-168	0	0	0	112.6	C371 L372 H378 G379 R380 F395 S397 L422 V427	C371-L376 PolarHBondContact O-N 2.87Å; C371-L376 VanDerWaalsContact O-N 3.14Å; L372-L376 HydrophobicContact CD2-CD1 3.68Å; L372-L376 PolarHBondContact O-N 3.31Å; L376-H378 PolarHBondContact O-N 3.06Å; L376-H378 VanDerWaalsContact O-N 3.14Å; L376-G379 PolarHBondContact O-N 3.32Å; L376-R380 WeakPolarHBondContact CD2-O 3.17Å; L376-F395 HydrophobicContact CD1-CB 4.01Å; L376-F395 HydrophobicContact CD2-CB 3.93Å; L376-F395 HydrophobicContact CG-CB 4.38Å; L376-S397 WeakPolarHBondContact O-CB 3.38Å; L376-L422 HydrophobicContact CD1-CB 4.13Å; L376-L422 HydrophobicContact CD1-CD1 3.75Å; L376-L422 HydrophobicContact CD1-CG 4.3Å; L376-V427 HydrophobicContact CB-CG1 4.5Å; L376-V427 HydrophobicContact CB-CG2 4.15Å; L376-V427 HydrophobicContact CD1-CG2 3.87Å
377	L	96.3	Very high	93.9	Very high	59 Å²	59	26.2 Å²	26.2	31%	0.309	13%	0.134	S	C	.	.	G	3₁₀ helix	trans	-64	-15.1	174	-65	-174.7	0	0	0	113.3	L372 R373 R375 E424 V427 L431	L372-L377 PolarHBondContact O-N 3.15Å; L372-L377 VanDerWaalsContact O-N 3.14Å; R373-L377 HydrophobicContact CG-CD1 4.42Å; R375-L377 PolarHBondContact O-N 3.21Å; L377-E424 HydrophobicContact CD2-CG 3.81Å; L377-V427 HydrophobicContact CD2-CB 4.07Å; L377-V427 HydrophobicContact CD2-CG1 3.65Å; L377-V427 HydrophobicContact CG-CG1 3.85Å; L377-L431 HydrophobicContact CD1-CD1 3.96Å
378	H	94.9	Very high	93.3	Very high	56 Å²	56	29 Å²	29	26%	0.259	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	-99	11.7	175.7	-73.7	-93.7	0	0	0	112.9	E250 G253 R373 R375 L376 R380	E250-H378 PolarHBondContact O-CE1 3.48Å; E250-H378 PolarHBondContact O-NE2 3.11Å; G253-H378 PolarHBondContact N-CE1 3.08Å; G253-H378 PolarHBondContact N-NE2 3.38Å; R373-H378 PolarHBondContact O-CD2 2.89Å; R373-H378 VanDerWaalsContact O-CD2 3.29Å; R375-H378 CarbonylContact O-C 3.58Å; R375-H378 WeakPolarHBondContact O-CA 3.38Å; R375-H378 WeakPolarHBondContact O-CB 3.34Å; R375-H378 PolarHBondContact O-N 2.84Å; L376-H378 PolarHBondContact O-N 3.06Å; L376-H378 VanDerWaalsContact O-N 3.14Å; H378-R380 VanDerWaalsContact C-N 3.3Å; H378-R380 HydrophobicContact CB-CG 4.15Å; H378-R380 WeakPolarHBondContact O-CG 3.34Å; H378-R380 PolarHBondContact O-N 2.76Å
379	G	93.9	Very high	92.3	Very high	39 Å²	39	30.5 Å²	30.5	40%	0.402	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	23.4	-179.6	0	0	0	0	0	113.9	R375 L376 S397	R375-G379 PolarHBondContact O-N 2.91Å; L376-G379 PolarHBondContact O-N 3.32Å; G379-S397 VanDerWaalsContact CA-OG 3.22Å; G379-S397 WeakPolarHBondContact CA-OG 3.37Å; G379-S397 PolarHBondContact O-OG 3.04Å
380	R	94.6	Very high	91.6	Very high	61 Å²	61	31.2 Å²	31.2	23%	0.23	17%	0.167	C	C	.	.			trans	-112.4	163.6	-176.1	-47.7	-179.2	-170.2	160.9	6.9	110.7	E252 S254 R375 L376 H378 S397	E252-R380 PolarHBondContact O-NH2 3.43Å; E252-R380 VanDerWaalsContact O-NH2 3.07Å; S254-R380 PolarHBondContact O-NH1 3.49Å; R375-R380 HydrophobicContact CB-CB 4.21Å; R375-R380 WeakPolarHBondContact O-CB 3.12Å; R375-R380 PolarHBondContact O-N 2.6Å; L376-R380 WeakPolarHBondContact CD2-O 3.17Å; H378-R380 VanDerWaalsContact C-N 3.3Å; H378-R380 HydrophobicContact CB-CG 4.15Å; H378-R380 WeakPolarHBondContact O-CG 3.34Å; H378-R380 PolarHBondContact O-N 2.76Å; R380-S397 PolarHBondContact N-OG 2.92Å
381	H	94.8	Very high	91.4	Very high	20 Å²	20	31.6 Å²	31.6	9%	0.093	17%	0.17	C	C	.	.			trans	-95.2	163.6	172.5	69.4	-93.8	0	0	0	111.9	T301 R375 T394 F395 V400	T301-H381 PolarHBondContact O-CE1 2.82Å; T301-H381 VanDerWaalsContact O-CE1 3.22Å; T301-H381 PolarHBondContact O-NE2 2.87Å; R375-H381 VanDerWaalsContact CZ-O 3.24Å; R375-H381 PolarHBondContact NE-O 2.8Å; R375-H381 PolarHBondContact NH2-O 3.49Å; H381-T394 HydrophobicContact CB-CG2 4.25Å; H381-F395 CarbonylContact C-O 3.59Å; H381-F395 VanDerWaalsContact CA-O 3.24Å; H381-F395 WeakPolarHBondContact CA-O 3.3Å; H381-F395 WeakPolarHBondContact CB-O 3.31Å; H381-V400 HydrophobicContact CB-CG2 4.39Å
382	F	96.4	Very high	91.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	134	168.4	-171.8	-87	0	0	0	111.2	L256 S257 V259 C371 R375 Y384 T394 F395	L256-F382 HydrophobicContact CB-CE2 4.23Å; L256-F382 HydrophobicContact CD2-CE2 3.89Å; L256-F382 HydrophobicContact CD2-CZ 4.12Å; L256-F382 HydrophobicContact CG-CE2 3.82Å; L256-F382 HydrophobicContact CG-CZ 4.39Å; L256-F382 VanDerWaalsContact O-CD2 3.25Å; L256-F382 WeakPolarHBondContact O-CD2 3.29Å; L256-F382 WeakPolarHBondContact O-CE2 3.33Å; S257-F382 WeakPolarHBondContact O-CA 3.45Å; V259-F382 HydrophobicContact CB-CZ 4.38Å; V259-F382 HydrophobicContact CG1-CE1 4.06Å; V259-F382 HydrophobicContact CG1-CZ 4.05Å; C371-F382 HydrophobicContact CB-CB 4.13Å; C371-F382 HydrophobicContact CB-CD1 3.79Å; C371-F382 HydrophobicContact CB-CD2 4.4Å; C371-F382 HydrophobicContact CB-CE1 4.31Å; C371-F382 HydrophobicContact CB-CG 3.84Å; C371-F382 VanDerWaalsContact SG-CB 3.55Å; R375-F382 HydrophobicContact CB-CB 4.34Å; R375-F382 HydrophobicContact CG-CB 4.32Å; R375-F382 HydrophobicContact CG-CD2 3.96Å; F382-Y384 AromaticContact CD1-CD2 3.78Å; F382-Y384 HydrophobicContact CD1-CD2 3.78Å; F382-Y384 AromaticContact CD1-CE2 3.44Å; F382-Y384 HydrophobicContact CD1-CE2 3.44Å; F382-Y384 VanDerWaalsContact CD1-CE2 3.44Å; F382-Y384 AromaticContact CD1-CZ 3.98Å; F382-Y384 HydrophobicContact CE1-CD1 4.21Å; F382-Y384 AromaticContact CE1-CD2 3.74Å; F382-Y384 HydrophobicContact CE1-CD2 3.74Å; F382-Y384 AromaticContact CE1-CE1 3.87Å; F382-Y384 HydrophobicContact CE1-CE1 3.87Å; F382-Y384 AromaticContact CE1-CE2 3.35Å; F382-Y384 HydrophobicContact CE1-CE2 3.35Å; F382-Y384 HydrophobicContact CE1-CG 4.15Å; F382-Y384 AromaticContact CE1-CZ 3.41Å; F382-Y384 VanDerWaalsContact CE1-CZ 3.41Å; F382-T394 CarbonylContact O-C 3.52Å; F382-T394 WeakPolarHBondContact O-CA 3.44Å; F382-F395 PolarHBondContact N-O 2.95Å; F382-F395 PolarHBondContact O-N 2.85Å
383	T	96.1	Very high	91.3	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.006	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	125.7	-177	-57.7	0	0	0	0	112.9	S257 G258 V259 I393 T394	S257-T383 PolarHBondContact O-N 2.83Å; G258-T383 CarbonylContact C-O 3.45Å; G258-T383 WeakPolarHBondContact CA-O 3.47Å; V259-T383 PolarHBondContact N-O 3.37Å; T383-I393 CarbonylContact C-O 3.51Å; T383-I393 WeakPolarHBondContact CA-O 3.49Å; T383-T394 WeakPolarHBondContact CG2-OG1 3.18Å; T383-T394 WeakPolarHBondContact OG1-CG2 3.39Å; T383-T394 PolarHBondContact OG1-OG1 3.13Å
384	Y	95.1	Very high	91.4	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	124.8	162.5	-66.1	-95	0	0	0	109.2	V259 A261 F360 S364 L367 L368 C371 F382 A392 I393 F395	V259-Y384 HydrophobicContact CG1-CD1 3.42Å; V259-Y384 VanDerWaalsContact CG1-CD1 3.42Å; V259-Y384 HydrophobicContact CG1-CE1 3.66Å; V259-Y384 HydrophobicContact CG1-CG 4.25Å; V259-Y384 WeakPolarHBondContact O-CA 3.35Å; A261-Y384 HydrophobicContact CB-CD1 4.16Å; F360-Y384 HydrophobicContact CD1-CD1 4.21Å; F360-Y384 HydrophobicContact CD1-CE1 4.35Å; F360-Y384 AromaticContact CE1-CD1 3.84Å; F360-Y384 HydrophobicContact CE1-CD1 3.84Å; F360-Y384 AromaticContact CE1-CD2 3.87Å; F360-Y384 HydrophobicContact CE1-CD2 3.87Å; F360-Y384 HydrophobicContact CE1-CE1 4.12Å; F360-Y384 HydrophobicContact CE1-CE2 4.15Å; F360-Y384 AromaticContact CE1-CG 3.72Å; F360-Y384 HydrophobicContact CE1-CG 3.72Å; F360-Y384 HydrophobicContact CZ-CD2 4.32Å; F360-Y384 HydrophobicContact CZ-CE2 4.45Å; S364-Y384 WeakPolarHBondContact O-CE1 3.12Å; S364-Y384 PolarHBondContact O-OH 2.95Å; L367-Y384 HydrophobicContact CB-CE1 4.28Å; L367-Y384 WeakPolarHBondContact CB-OH 3.43Å; L367-Y384 PolarHBondContact O-OH 3.07Å; L368-Y384 HydrophobicContact CD2-CE2 4.39Å; L368-Y384 PolarHBondContact N-OH 2.79Å; C371-Y384 HydrophobicContact CB-CE2 4.38Å; F382-Y384 AromaticContact CD1-CD2 3.78Å; F382-Y384 HydrophobicContact CD1-CD2 3.78Å; F382-Y384 AromaticContact CD1-CE2 3.44Å; F382-Y384 HydrophobicContact CD1-CE2 3.44Å; F382-Y384 VanDerWaalsContact CD1-CE2 3.44Å; F382-Y384 AromaticContact CD1-CZ 3.98Å; F382-Y384 HydrophobicContact CE1-CD1 4.21Å; F382-Y384 AromaticContact CE1-CD2 3.74Å; F382-Y384 HydrophobicContact CE1-CD2 3.74Å; F382-Y384 AromaticContact CE1-CE1 3.87Å; F382-Y384 HydrophobicContact CE1-CE1 3.87Å; F382-Y384 AromaticContact CE1-CE2 3.35Å; F382-Y384 HydrophobicContact CE1-CE2 3.35Å; F382-Y384 HydrophobicContact CE1-CG 4.15Å; F382-Y384 AromaticContact CE1-CZ 3.41Å; F382-Y384 VanDerWaalsContact CE1-CZ 3.41Å; Y384-A392 CarbonylContact O-C 3.54Å; Y384-A392 WeakPolarHBondContact O-CA 3.43Å; Y384-I393 PolarHBondContact N-O 2.93Å; Y384-I393 PolarHBondContact O-N 2.96Å; Y384-F395 HydrophobicContact CD2-CD2 4.16Å; Y384-F395 AromaticContact CD2-CE2 3.89Å; Y384-F395 HydrophobicContact CD2-CE2 3.89Å; Y384-F395 HydrophobicContact CE2-CD2 4.08Å; Y384-F395 AromaticContact CE2-CE2 3.76Å; Y384-F395 HydrophobicContact CE2-CE2 3.76Å
385	K	90.6	Very high	91.6	Very high	50 Å²	50	27.8 Å²	27.8	22%	0.217	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	125.8	173.6	-175.4	176.4	-179.4	177.1	0	109.7	V259 S260 A261	V259-K385 PolarHBondContact O-N 2.81Å; S260-K385 CarbonylContact C-O 3.49Å; S260-K385 VanDerWaalsContact CA-O 3.28Å; S260-K385 WeakPolarHBondContact CA-O 3.43Å; A261-K385 PolarHBondContact N-O 2.98Å
386	S	89	Confident	91.7	Very high	16 Å²	16	27.7 Å²	27.7	11%	0.112	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	136.9	179.3	-164.5	0	0	0	0	111.3	A261 C263 T391	A261-S386 CarbonylContact O-C 3.54Å; A261-S386 VanDerWaalsContact O-CA 3.26Å; A261-S386 WeakPolarHBondContact O-CA 3.41Å; C263-S386 WeakPolarHBondContact O-CB 3.42Å; C263-S386 PolarHBondContact O-OG 3.48Å; C263-S386 VanDerWaalsContact O-OG 3.05Å; S386-T391 VanDerWaalsContact CB-O 3.31Å; S386-T391 WeakPolarHBondContact CB-O 3.47Å; S386-T391 PolarHBondContact N-O 3.41Å
387	I	83.4	Confident	91.6	Very high	95 Å²	95	27.6 Å²	27.6	49%	0.487	16%	0.156	S	C	.	.	S	Bend	trans	-80.6	-25.8	172.1	56.4	161	0	0	0	112.9	A261 K262	A261-I387 PolarHBondContact O-N 2.8Å; K262-I387 HydrophobicContact CG-CD1 3.66Å; K262-I387 HydrophobicContact CG-CG1 3.91Å
388	N	79	Confident	91.2	Very high	80 Å²	80	28.3 Å²	28.3	43%	0.428	16%	0.163	S	C	.	.	S	Bend	trans	-102.4	1.6	-171.9	-68.9	-4.6	0	0	0	112.9	F466	N388-F466 PolarHBondContact ND2-O 2.87Å
389	G	74.3	Confident	90.5	Very high	31 Å²	31	28.5 Å²	28.5	32%	0.32	18%	0.18	S	C	.	.	S	Bend	trans	-169	-171.7	-177.3	0	0	0	0	0	113.3	T391	G389-T391 VanDerWaalsContact C-N 3.25Å; G389-T391 PolarHBondContact O-N 2.9Å
390	D	79.4	Confident	90.2	Very high	35 Å²	35	28.5 Å²	28.5	19%	0.187	17%	0.172	C	C	.	.	S	Bend	trans	-92	18.6	-174.5	-69.5	-58.5	0	0	0	112.7	R289 L290 P416	R289-D390 VanDerWaalsContact CA-OD2 3.24Å; R289-D390 WeakPolarHBondContact CA-OD2 3.24Å; R289-D390 VanDerWaalsContact CB-CG 3.44Å; R289-D390 WeakPolarHBondContact CB-OD2 3.47Å; R289-D390 WeakPolarHBondContact CG-OD2 3.44Å; R289-D390 PolarHBondContact N-OD2 2.9Å; L290-D390 HydrophobicContact CB-CB 4.08Å; L290-D390 HydrophobicContact CD1-CB 4.26Å; L290-D390 WeakPolarHBondContact CD1-O 3.29Å; L290-D390 HydrophobicContact CG-CB 3.85Å; L290-D390 WeakPolarHBondContact CG-O 3.46Å; L290-D390 VanDerWaalsContact N-CB 3.28Å; L290-D390 PolarHBondContact N-OD1 3.33Å; D390-P416 HydrophobicContact CB-CG 4.28Å; D390-P416 WeakPolarHBondContact O-CB 3.25Å; D390-P416 WeakPolarHBondContact O-CG 3.27Å
391	T	88.5	Confident	89.8	Confident	26 Å²	26	34.4 Å²	34.4	16%	0.16	20%	0.203	C	C	.	.			trans	-87.7	136.7	-177.2	-58.6	0	0	0	0	111.1	W265 S386 G389	W265-T391 HydrophobicContact CG-CG2 4.25Å; S386-T391 VanDerWaalsContact CB-O 3.31Å; S386-T391 WeakPolarHBondContact CB-O 3.47Å; S386-T391 PolarHBondContact N-O 3.41Å; G389-T391 VanDerWaalsContact C-N 3.25Å; G389-T391 PolarHBondContact O-N 2.9Å
392	A	92.6	Very high	89.3	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	140.9	169.9	0	0	0	0	0	110.4	I298 Y384 P416 W417 L418	I298-A392 HydrophobicContact CD1-CB 4.01Å; Y384-A392 CarbonylContact O-C 3.54Å; Y384-A392 WeakPolarHBondContact O-CA 3.43Å; A392-P416 PolarHBondContact N-O 2.89Å; A392-W417 HydrophobicContact CB-CB 4.41Å; A392-W417 HydrophobicContact CB-CG 4.11Å; A392-L418 PolarHBondContact O-N 3.2Å
393	I	97.6	Very high	89	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	112.9	176.9	-57.1	161.4	0	0	0	107.2	C263 W265 L358 F360 T383 Y384 F395 L418 I420	C263-I393 HydrophobicContact CB-CD1 4.2Å; W265-I393 HydrophobicContact CB-CD1 4.15Å; W265-I393 HydrophobicContact CB-CG1 4.2Å; W265-I393 HydrophobicContact CG-CG1 4.28Å; L358-I393 HydrophobicContact CD1-CG2 4.38Å; L358-I393 HydrophobicContact CD2-CD1 4.14Å; L358-I393 HydrophobicContact CD2-CG1 4.46Å; L358-I393 HydrophobicContact CD2-CG2 4.12Å; F360-I393 HydrophobicContact CE1-CD1 4.19Å; F360-I393 HydrophobicContact CZ-CD1 4.07Å; T383-I393 CarbonylContact C-O 3.51Å; T383-I393 WeakPolarHBondContact CA-O 3.49Å; Y384-I393 PolarHBondContact N-O 2.93Å; Y384-I393 PolarHBondContact O-N 2.96Å; I393-F395 HydrophobicContact CG2-CD2 4.37Å; I393-F395 HydrophobicContact CG2-CE2 3.95Å; I393-F395 HydrophobicContact CG2-CZ 4.42Å; I393-L418 HydrophobicContact CG1-CD2 4.45Å; I393-L418 HydrophobicContact CG2-CD2 4.32Å; I393-I420 HydrophobicContact CG2-CD1 4.43Å
394	T	97.7	Very high	88.8	Confident	2 Å²	2	41.3 Å²	41.3	1%	0.012	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	117.3	176.4	-59	0	0	0	0	109.9	H381 F382 T383 V396 W417 L418 Q419 I420	H381-T394 HydrophobicContact CB-CG2 4.25Å; F382-T394 CarbonylContact O-C 3.52Å; F382-T394 WeakPolarHBondContact O-CA 3.44Å; T383-T394 WeakPolarHBondContact CG2-OG1 3.18Å; T383-T394 WeakPolarHBondContact OG1-CG2 3.39Å; T383-T394 PolarHBondContact OG1-OG1 3.13Å; T394-V396 HydrophobicContact CG2-CG2 3.85Å; T394-W417 PolarHBondContact OG1-NE1 2.85Å; T394-L418 PolarHBondContact N-O 3.25Å; T394-Q419 WeakPolarHBondContact O-CA 3.17Å; T394-I420 PolarHBondContact O-N 3.01Å
395	F	98.1	Very high	88.7	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	136	167.3	-67.4	-91.6	0	0	0	109.5	L358 F360 L368 C371 L376 H381 F382 Y384 I393 I420 L422	L358-F395 HydrophobicContact CD1-CE1 4.02Å; L358-F395 HydrophobicContact CD1-CE2 4.46Å; L358-F395 HydrophobicContact CD1-CZ 3.53Å; F360-F395 HydrophobicContact CZ-CE2 4.24Å; F360-F395 HydrophobicContact CZ-CZ 4.38Å; L368-F395 HydrophobicContact CD2-CE2 4.24Å; L368-F395 HydrophobicContact CD2-CZ 4.02Å; C371-F395 VanDerWaalsContact SG-CD2 3.51Å; L376-F395 HydrophobicContact CD1-CB 4.01Å; L376-F395 HydrophobicContact CD2-CB 3.93Å; L376-F395 HydrophobicContact CG-CB 4.38Å; H381-F395 CarbonylContact C-O 3.59Å; H381-F395 VanDerWaalsContact CA-O 3.24Å; H381-F395 WeakPolarHBondContact CA-O 3.3Å; H381-F395 WeakPolarHBondContact CB-O 3.31Å; F382-F395 PolarHBondContact N-O 2.95Å; F382-F395 PolarHBondContact O-N 2.85Å; Y384-F395 HydrophobicContact CD2-CD2 4.16Å; Y384-F395 AromaticContact CD2-CE2 3.89Å; Y384-F395 HydrophobicContact CD2-CE2 3.89Å; Y384-F395 HydrophobicContact CE2-CD2 4.08Å; Y384-F395 AromaticContact CE2-CE2 3.76Å; Y384-F395 HydrophobicContact CE2-CE2 3.76Å; I393-F395 HydrophobicContact CG2-CD2 4.37Å; I393-F395 HydrophobicContact CG2-CE2 3.95Å; I393-F395 HydrophobicContact CG2-CZ 4.42Å; F395-I420 HydrophobicContact CD1-CB 4.46Å; F395-L422 HydrophobicContact CD1-CD1 3.72Å; F395-L422 HydrophobicContact CD1-CG 4.44Å; F395-L422 HydrophobicContact CE1-CD1 4.09Å
396	V	96.3	Very high	88.9	Confident	2 Å²	2	41.6 Å²	41.6	1%	0.012	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	132.9	-172.8	-170.6	0	0	0	0	109	T394 V400 A403 Q419 I420 L421 L422	T394-V396 HydrophobicContact CG2-CG2 3.85Å; V396-V400 HydrophobicContact CG1-CB 3.51Å; V396-V400 HydrophobicContact CG1-CG1 3.83Å; V396-V400 HydrophobicContact CG1-CG2 4Å; V396-A403 HydrophobicContact CG1-CB 3.81Å; V396-Q419 HydrophobicContact CG2-CB 4.39Å; V396-Q419 HydrophobicContact CG2-CG 4.32Å; V396-I420 PolarHBondContact N-O 3.45Å; V396-L421 WeakPolarHBondContact O-CA 3.22Å; V396-L422 PolarHBondContact O-N 3.38Å
397	S	94.5	Very high	89	Confident	6 Å²	6	46.9 Å²	46.9	4%	0.042	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	160.1	169.4	61.6	0	0	0	0	110.8	L376 G379 R380 G399 V400	L376-S397 WeakPolarHBondContact O-CB 3.38Å; G379-S397 VanDerWaalsContact CA-OG 3.22Å; G379-S397 WeakPolarHBondContact CA-OG 3.37Å; G379-S397 PolarHBondContact O-OG 3.04Å; R380-S397 PolarHBondContact N-OG 2.92Å; S397-G399 PolarHBondContact O-N 3.37Å; S397-V400 PolarHBondContact O-N 3.35Å; S397-V400 VanDerWaalsContact O-N 3.11Å; S397-V400 WeakPolarHBondContact OG-CG2 3.39Å
398	T	88.3	Confident	89.5	Confident	75 Å²	75	49.3 Å²	49.3	46%	0.46	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-28.5	178.7	51.5	0	0	0	0	114.8	E407 L421 T423	T398-E407 HydrophobicContact CG2-CG 4.38Å; T398-E407 WeakPolarHBondContact CG2-OE1 3.42Å; T398-L421 HydrophobicContact CG2-CD2 4.12Å; T398-T423 HydrophobicContact CG2-CG2 4.43Å
399	G	81.2	Confident	90.2	Very high	60 Å²	60	49.2 Å²	49.2	62%	0.619	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-1.9	-179.5	0	0	0	0	0	116.9	S397	S397-G399 PolarHBondContact O-N 3.37Å
400	V	87.5	Confident	91.3	Very high	38 Å²	38	49.6 Å²	49.6	23%	0.23	29%	0.293	C	S	.	.			trans	-85.7	120.2	-175.7	173.1	0	0	0	0	111	H381 V396 S397	H381-V400 HydrophobicContact CB-CG2 4.39Å; V396-V400 HydrophobicContact CG1-CB 3.51Å; V396-V400 HydrophobicContact CG1-CG1 3.83Å; V396-V400 HydrophobicContact CG1-CG2 4Å; S397-V400 PolarHBondContact O-N 3.35Å; S397-V400 VanDerWaalsContact O-N 3.11Å; S397-V400 WeakPolarHBondContact OG-CG2 3.39Å
401	E	86	Confident	92.1	Very high	186 Å²	186	48.4 Å²	48.4	87%	0.869	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	150.1	175.8	-62.8	-172.4	170.6	0	0	112.8	A403	E401-A403 VanDerWaalsContact C-N 3.29Å; E401-A403 PolarHBondContact O-N 3.37Å
402	G	84.6	Confident	92.4	Very high	81 Å²	81	47.2 Å²	47.2	84%	0.835	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.4	3.9	174.8	0	0	0	0	0	115.4
403	A	89.8	Confident	92.5	Very high	29 Å²	29	47.2 Å²	47.2	24%	0.24	28%	0.278	C	S	.	.			trans	-69.4	145.7	169.9	0	0	0	0	0	111.5	V396 E401	V396-A403 HydrophobicContact CG1-CB 3.81Å; E401-A403 VanDerWaalsContact C-N 3.29Å; E401-A403 PolarHBondContact O-N 3.37Å
404	F	92.4	Very high	92	Very high	55 Å²	55	49.4 Å²	49.4	24%	0.241	29%	0.289	C	S	.	.	S	Bend	trans	-100.3	-5.3	174.5	53.8	-106.7	0	0	0	113.1	T350 A412 H414 Q419	T350-F404 HydrophobicContact CG2-CB 4.21Å; T350-F404 HydrophobicContact CG2-CD2 3.69Å; T350-F404 HydrophobicContact CG2-CE2 4.34Å; T350-F404 HydrophobicContact CG2-CG 4.1Å; F404-A412 HydrophobicContact CD2-CB 3.7Å; F404-A412 HydrophobicContact CE2-CB 4.16Å; F404-A412 WeakPolarHBondContact CE2-O 3.37Å; F404-H414 HydrophobicContact CE1-CB 4.16Å; F404-H414 HydrophobicContact CE2-CB 4.41Å; F404-H414 HydrophobicContact CZ-CB 3.92Å; F404-Q419 HydrophobicContact CD2-CB 4.16Å; F404-Q419 HydrophobicContact CD2-CG 4.29Å; F404-Q419 VanDerWaalsContact CE1-CD 3.41Å; F404-Q419 HydrophobicContact CE1-CG 3.98Å; F404-Q419 VanDerWaalsContact CE1-NE2 3.29Å; F404-Q419 HydrophobicContact CE2-CB 3.66Å; F404-Q419 HydrophobicContact CE2-CG 3.64Å; F404-Q419 HydrophobicContact CZ-CB 4.04Å; F404-Q419 VanDerWaalsContact CZ-CD 3.44Å; F404-Q419 HydrophobicContact CZ-CG 3.47Å; F404-Q419 VanDerWaalsContact CZ-CG 3.47Å
405	A	92.6	Very high	91.6	Very high	4 Å²	4	50.5 Å²	50.5	3%	0.033	30%	0.3	C	S	.	.			trans	-84.3	134.9	160.7	0	0	0	0	0	109.6	A412 Q419 L421	A405-A412 HydrophobicContact CB-CB 4.3Å; A405-Q419 HydrophobicContact CB-CB 3.86Å; A405-L421 HydrophobicContact CB-CB 4.02Å
406	T	93.4	Very high	91.1	Very high	53 Å²	53	52 Å²	52	33%	0.325	31%	0.31	S	S	.	.			trans	-122.5	170.7	180	77	0	0	0	0	110.6	E408 H409 P410	T406-E408 WeakPolarHBondContact CB-OE2 3.45Å; T406-E408 PolarHBondContact O-N 2.86Å; T406-E408 PolarHBondContact OG1-N 2.92Å; T406-E408 PolarHBondContact OG1-OE2 3.18Å; T406-H409 PolarHBondContact N-O 3.18Å; T406-H409 CarbonylContact O-C 3.53Å; T406-H409 PolarHBondContact O-N 2.64Å; T406-H409 VanDerWaalsContact O-O 3.14Å; T406-H409 PolarHBondContact OG1-N 3.39Å; T406-P410 WeakPolarHBondContact O-CA 3.32Å
407	E	92.6	Very high	91	Very high	127 Å²	127	52.2 Å²	52.2	59%	0.593	31%	0.31	S	S	*	.	S	Bend	trans	-62.1	-33.8	176.3	-69.7	-173.5	-170.3	0	0	112.4	T398 L421	T398-E407 HydrophobicContact CG2-CG 4.38Å; T398-E407 WeakPolarHBondContact CG2-OE1 3.42Å; E407-L421 HydrophobicContact CG-CD2 4.06Å
408	E	93.1	Very high	91.1	Very high	145 Å²	145	51.9 Å²	51.9	68%	0.678	31%	0.308	S	S	*	.	S	Bend	trans	-73.8	-31.5	175.8	-54.7	78.6	-172.1	0	0	112.4	T406	T406-E408 WeakPolarHBondContact CB-OE2 3.45Å; T406-E408 PolarHBondContact O-N 2.86Å; T406-E408 PolarHBondContact OG1-N 2.92Å; T406-E408 PolarHBondContact OG1-OE2 3.18Å
409	H	94.6	Very high	91.5	Very high	79 Å²	79	49 Å²	49	37%	0.366	29%	0.29	S	S	.	.	S	Bend	trans	-131.2	75.8	-179.2	-53.7	90.5	0	0	0	109.4	Q352 T406 Y411	Q352-H409 HydrophobicContact CB-CB 4.48Å; Q352-H409 HydrophobicContact CG-CB 3.97Å; Q352-H409 PolarHBondContact NE2-CD2 2.94Å; Q352-H409 PolarHBondContact NE2-ND1 3.31Å; Q352-H409 PolarHBondContact OE1-CD2 2.82Å; Q352-H409 PolarHBondContact OE1-NE2 2.95Å; T406-H409 PolarHBondContact N-O 3.18Å; T406-H409 CarbonylContact O-C 3.53Å; T406-H409 PolarHBondContact O-N 2.64Å; T406-H409 VanDerWaalsContact O-O 3.14Å; T406-H409 PolarHBondContact OG1-N 3.39Å; H409-Y411 PolarHBondContact O-N 2.88Å
410	P	95.9	Very high	92.3	Very high	38 Å²	38	46.1 Å²	46.1	25%	0.247	26%	0.26	C	S	.	.			trans	-69.6	-17.4	-169.4	26.4	-35.2	0	0	0	113.2	T406 I420 L421	T406-P410 WeakPolarHBondContact O-CA 3.32Å; P410-I420 CarbonylContact O-C 3.32Å; P410-I420 VanDerWaalsContact O-CA 3.32Å; P410-I420 WeakPolarHBondContact O-CA 3.27Å; P410-L421 HydrophobicContact CB-CB 4.45Å; P410-L421 PolarHBondContact O-N 3.41Å
411	Y	97.4	Very high	92.8	Very high	11 Å²	11	45 Å²	45	4%	0.043	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	116.6	178	-43.5	-43.7	0	0	0	109.4	L353 V356 H409 I420 K454	L353-Y411 PolarHBondContact N-O 3.3Å; V356-Y411 HydrophobicContact CG2-CD1 4.43Å; V356-Y411 HydrophobicContact CG2-CD2 4.12Å; V356-Y411 HydrophobicContact CG2-CG 3.81Å; H409-Y411 PolarHBondContact O-N 2.88Å; Y411-I420 HydrophobicContact CD1-CB 4.45Å; Y411-I420 HydrophobicContact CD1-CG1 4.16Å; Y411-I420 HydrophobicContact CD1-CG2 3.91Å; Y411-I420 HydrophobicContact CE1-CG2 3.84Å; Y411-K454 VanDerWaalsContact CE2-O 3.27Å; Y411-K454 WeakPolarHBondContact CE2-O 3.2Å; Y411-K454 VanDerWaalsContact CZ-O 3.29Å; Y411-K454 PolarHBondContact OH-O 3.07Å
412	A	94.6	Very high	93.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	143.8	178.4	0	0	0	0	0	110.3	T350 R351 F404 A405 Q419	T350-A412 HydrophobicContact CG2-CB 4.19Å; R351-A412 CarbonylContact O-C 3.58Å; R351-A412 VanDerWaalsContact O-CA 3.25Å; R351-A412 WeakPolarHBondContact O-CA 3.42Å; F404-A412 HydrophobicContact CD2-CB 3.7Å; F404-A412 HydrophobicContact CE2-CB 4.16Å; F404-A412 WeakPolarHBondContact CE2-O 3.37Å; A405-A412 HydrophobicContact CB-CB 4.3Å; A412-Q419 PolarHBondContact N-O 3.28Å; A412-Q419 VanDerWaalsContact N-O 3.09Å; A412-Q419 PolarHBondContact O-N 3.39Å
413	A	93.6	Very high	93.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	132.4	180	0	0	0	0	0	111.8	W265 T350 R351 L353 W417 L418	W265-A413 HydrophobicContact CH2-CB 3.62Å; W265-A413 HydrophobicContact CZ2-CB 3.8Å; T350-A413 CarbonylContact C-O 3.58Å; T350-A413 WeakPolarHBondContact CA-O 3.26Å; R351-A413 PolarHBondContact N-O 3.2Å; R351-A413 PolarHBondContact O-N 3.08Å; L353-A413 HydrophobicContact CD1-CB 4.11Å; A413-W417 CarbonylContact C-O 3.41Å; A413-W417 VanDerWaalsContact CA-O 3.24Å; A413-W417 WeakPolarHBondContact CA-O 3.3Å; A413-L418 HydrophobicContact CB-CD1 4.29Å
414	H	87.9	Confident	94.2	Very high	47 Å²	47	39.3 Å²	39.3	22%	0.218	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	99.4	169.5	-167.8	87	0	0	0	108.7	V348 T350 F404 W417	V348-H414 PolarHBondContact O-CE1 3.13Å; T350-H414 PolarHBondContact OG1-ND1 3.17Å; T350-H414 VanDerWaalsContact OG1-ND1 3.14Å; F404-H414 HydrophobicContact CE1-CB 4.16Å; F404-H414 HydrophobicContact CE2-CB 4.41Å; F404-H414 HydrophobicContact CZ-CB 3.92Å; H414-W417 PolarHBondContact N-O 3.44Å; H414-W417 PolarHBondContact O-N 2.84Å
415	G	88.8	Confident	94.4	Very high	24 Å²	24	44.3 Å²	44.3	25%	0.247	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	-129.4	-168.8	0	0	0	0	0	111.2	W417	G415-W417 VanDerWaalsContact C-N 3.32Å
416	P	88.1	Confident	94.6	Very high	33 Å²	33	44.5 Å²	44.5	21%	0.214	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-0.4	177.3	37	-37.2	0	0	0	113.9	W265 L290 D390 A392	W265-P416 PolarHBondContact NE1-O 3.33Å; L290-P416 HydrophobicContact CD2-CG 3.84Å; L290-P416 HydrophobicContact CG-CG 4Å; D390-P416 HydrophobicContact CB-CG 4.28Å; D390-P416 WeakPolarHBondContact O-CB 3.25Å; D390-P416 WeakPolarHBondContact O-CG 3.27Å; A392-P416 PolarHBondContact N-O 2.89Å
417	W	93.5	Very high	94.8	Very high	5 Å²	5	42 Å²	42	2%	0.019	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	111.6	176.8	-174.7	6.4	0	0	0	110.9	Q297 I298 A392 T394 A413 H414 G415	Q297-W417 HydrophobicContact CB-CH2 4.5Å; Q297-W417 HydrophobicContact CB-CZ3 4.16Å; Q297-W417 HydrophobicContact CG-CH2 4.15Å; Q297-W417 HydrophobicContact CG-CZ3 4.07Å; I298-W417 HydrophobicContact CB-CH2 4.48Å; I298-W417 HydrophobicContact CD1-CD2 4.08Å; I298-W417 HydrophobicContact CD1-CE3 4.08Å; I298-W417 HydrophobicContact CD1-CG 4.47Å; I298-W417 HydrophobicContact CD1-CZ3 4.43Å; I298-W417 HydrophobicContact CG1-CD2 3.84Å; I298-W417 HydrophobicContact CG1-CE3 3.72Å; I298-W417 HydrophobicContact CG1-CH2 3.61Å; I298-W417 HydrophobicContact CG1-CZ2 3.73Å; I298-W417 HydrophobicContact CG1-CZ3 3.61Å; A392-W417 HydrophobicContact CB-CB 4.41Å; A392-W417 HydrophobicContact CB-CG 4.11Å; T394-W417 PolarHBondContact OG1-NE1 2.85Å; A413-W417 CarbonylContact C-O 3.41Å; A413-W417 VanDerWaalsContact CA-O 3.24Å; A413-W417 WeakPolarHBondContact CA-O 3.3Å; H414-W417 PolarHBondContact N-O 3.44Å; H414-W417 PolarHBondContact O-N 2.84Å; G415-W417 VanDerWaalsContact C-N 3.32Å
418	L	96.5	Very high	94.9	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	135.5	176.5	175.6	71.3	0	0	0	111.1	W265 L353 V356 L358 A392 I393 T394 A413 I420	W265-L418 HydrophobicContact CB-CD2 3.72Å; W265-L418 HydrophobicContact CD2-CB 3.92Å; W265-L418 HydrophobicContact CD2-CD2 3.78Å; W265-L418 HydrophobicContact CD2-CG 4.3Å; W265-L418 HydrophobicContact CE3-CD1 4.48Å; W265-L418 HydrophobicContact CE3-CD2 4.2Å; W265-L418 HydrophobicContact CG-CB 4.01Å; W265-L418 HydrophobicContact CG-CD2 3.54Å; W265-L418 HydrophobicContact CG-CG 4.38Å; W265-L418 HydrophobicContact CZ2-CB 4.14Å; L353-L418 HydrophobicContact CD1-CD1 3.68Å; V356-L418 HydrophobicContact CG1-CD2 3.76Å; V356-L418 HydrophobicContact CG2-CD1 4.38Å; L358-L418 HydrophobicContact CD2-CD2 3.65Å; A392-L418 PolarHBondContact O-N 3.2Å; I393-L418 HydrophobicContact CG1-CD2 4.45Å; I393-L418 HydrophobicContact CG2-CD2 4.32Å; T394-L418 PolarHBondContact N-O 3.25Å; A413-L418 HydrophobicContact CB-CD1 4.29Å; L418-I420 HydrophobicContact CD1-CG1 4.37Å; L418-I420 HydrophobicContact CD2-CD1 3.78Å; L418-I420 HydrophobicContact CD2-CG1 3.96Å; L418-I420 HydrophobicContact CG-CD1 4.35Å; L418-I420 HydrophobicContact CG-CG1 3.97Å
419	Q	97.5	Very high	95.1	Very high	14 Å²	14	39.5 Å²	39.5	7%	0.065	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	135.4	163.5	-75	-176	0.4	0	0	110.4	T394 V396 F404 A405 A412	T394-Q419 WeakPolarHBondContact O-CA 3.17Å; V396-Q419 HydrophobicContact CG2-CB 4.39Å; V396-Q419 HydrophobicContact CG2-CG 4.32Å; F404-Q419 HydrophobicContact CD2-CB 4.16Å; F404-Q419 HydrophobicContact CD2-CG 4.29Å; F404-Q419 VanDerWaalsContact CE1-CD 3.41Å; F404-Q419 HydrophobicContact CE1-CG 3.98Å; F404-Q419 VanDerWaalsContact CE1-NE2 3.29Å; F404-Q419 HydrophobicContact CE2-CB 3.66Å; F404-Q419 HydrophobicContact CE2-CG 3.64Å; F404-Q419 HydrophobicContact CZ-CB 4.04Å; F404-Q419 VanDerWaalsContact CZ-CD 3.44Å; F404-Q419 HydrophobicContact CZ-CG 3.47Å; F404-Q419 VanDerWaalsContact CZ-CG 3.47Å; A405-Q419 HydrophobicContact CB-CB 3.86Å; A412-Q419 PolarHBondContact N-O 3.28Å; A412-Q419 VanDerWaalsContact N-O 3.09Å; A412-Q419 PolarHBondContact O-N 3.39Å
420	I	97.9	Very high	95.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	116	175.6	-62.4	178.8	0	0	0	108.2	V356 L358 I393 T394 F395 V396 P410 Y411 L418 L422 L456	V356-I420 HydrophobicContact CG1-CD1 4.35Å; L358-I420 HydrophobicContact CD1-CD1 3.57Å; L358-I420 HydrophobicContact CD2-CD1 3.7Å; L358-I420 HydrophobicContact CG-CD1 4.03Å; I393-I420 HydrophobicContact CG2-CD1 4.43Å; T394-I420 PolarHBondContact O-N 3.01Å; F395-I420 HydrophobicContact CD1-CB 4.46Å; V396-I420 PolarHBondContact N-O 3.45Å; P410-I420 CarbonylContact O-C 3.32Å; P410-I420 VanDerWaalsContact O-CA 3.32Å; P410-I420 WeakPolarHBondContact O-CA 3.27Å; Y411-I420 HydrophobicContact CD1-CB 4.45Å; Y411-I420 HydrophobicContact CD1-CG1 4.16Å; Y411-I420 HydrophobicContact CD1-CG2 3.91Å; Y411-I420 HydrophobicContact CE1-CG2 3.84Å; L418-I420 HydrophobicContact CD1-CG1 4.37Å; L418-I420 HydrophobicContact CD2-CD1 3.78Å; L418-I420 HydrophobicContact CD2-CG1 3.96Å; L418-I420 HydrophobicContact CG-CD1 4.35Å; L418-I420 HydrophobicContact CG-CG1 3.97Å; I420-L422 HydrophobicContact CG2-CD2 3.59Å; I420-L422 HydrophobicContact CG2-CG 3.94Å; I420-L456 HydrophobicContact CD1-CD1 4.37Å
421	L	97.9	Very high	95.1	Very high	15 Å²	15	34.8 Å²	34.8	8%	0.079	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	126.2	170.5	-172.7	151.9	0	0	0	109.8	V396 T398 A405 E407 P410	V396-L421 WeakPolarHBondContact O-CA 3.22Å; T398-L421 HydrophobicContact CG2-CD2 4.12Å; A405-L421 HydrophobicContact CB-CB 4.02Å; E407-L421 HydrophobicContact CG-CD2 4.06Å; P410-L421 HydrophobicContact CB-CB 4.45Å; P410-L421 PolarHBondContact O-N 3.41Å
422	L	97.5	Very high	94.9	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.021	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	134.1	175.2	-56.2	179.3	0	0	0	109.9	L372 L376 F395 V396 I420 F426 V427 M430 L456	L372-L422 HydrophobicContact CD2-CD1 3.83Å; L376-L422 HydrophobicContact CD1-CB 4.13Å; L376-L422 HydrophobicContact CD1-CD1 3.75Å; L376-L422 HydrophobicContact CD1-CG 4.3Å; F395-L422 HydrophobicContact CD1-CD1 3.72Å; F395-L422 HydrophobicContact CD1-CG 4.44Å; F395-L422 HydrophobicContact CE1-CD1 4.09Å; V396-L422 PolarHBondContact O-N 3.38Å; I420-L422 HydrophobicContact CG2-CD2 3.59Å; I420-L422 HydrophobicContact CG2-CG 3.94Å; L422-F426 HydrophobicContact CD2-CD1 3.65Å; L422-F426 HydrophobicContact CD2-CE1 3.68Å; L422-V427 HydrophobicContact CB-CG2 3.67Å; L422-V427 HydrophobicContact CD1-CG2 4.29Å; L422-M430 HydrophobicContact CD1-CE 4.43Å; L422-M430 HydrophobicContact CD1-SD 3.72Å; L422-M430 HydrophobicContact CD2-SD 4.33Å; L422-L456 HydrophobicContact CD2-CD2 4.47Å
423	T	96.6	Very high	94.8	Very high	42 Å²	42	39.9 Å²	39.9	26%	0.258	21%	0.214	S	C	.	.			trans	-77.4	152.3	172.1	60.8	0	0	0	0	110.3	T398 E425 F426 V427	T398-T423 HydrophobicContact CG2-CG2 4.43Å; T423-E425 VanDerWaalsContact C-N 3.31Å; T423-E425 PolarHBondContact O-N 3.43Å; T423-F426 PolarHBondContact O-N 3.08Å; T423-V427 WeakPolarHBondContact O-CG2 3.49Å; T423-V427 PolarHBondContact O-N 2.87Å
424	E	95.6	Very high	94.7	Very high	129 Å²	129	39.9 Å²	39.9	60%	0.603	21%	0.214	S	C	*	.	H	α-helix	trans	-52.2	-48.1	179.3	-171.8	175.5	171.6	0	0	112.2	L377 F426 V427 E428	L377-E424 HydrophobicContact CD2-CG 3.81Å; E424-F426 VanDerWaalsContact C-N 3.27Å; E424-F426 PolarHBondContact O-N 3.23Å; E424-V427 WeakPolarHBondContact O-CB 3.42Å; E424-V427 PolarHBondContact O-N 2.8Å; E424-V427 VanDerWaalsContact O-N 3.08Å; E424-E428 PolarHBondContact O-N 2.65Å
425	E	96.4	Very high	94.4	Very high	160 Å²	160	43.8 Å²	43.8	75%	0.748	23%	0.232	S	C	*	.	H	α-helix	trans	-55.2	-40	176.4	-61.7	169.5	175.9	0	0	112.9	T423 Q429	T423-E425 VanDerWaalsContact C-N 3.31Å; T423-E425 PolarHBondContact O-N 3.43Å; E425-Q429 PolarHBondContact O-N 2.95Å
426	F	97.4	Very high	94	Very high	8 Å²	8	47.3 Å²	47.3	4%	0.035	24%	0.242	C	C	.	.	H	α-helix	trans	-78.6	-32.3	179.8	-175.1	-137.4	0	0	0	111.8	L422 T423 E424 E428 Q429 M430 W451 K454 L456	L422-F426 HydrophobicContact CD2-CD1 3.65Å; L422-F426 HydrophobicContact CD2-CE1 3.68Å; T423-F426 PolarHBondContact O-N 3.08Å; E424-F426 VanDerWaalsContact C-N 3.27Å; E424-F426 PolarHBondContact O-N 3.23Å; F426-E428 VanDerWaalsContact C-N 3.35Å; F426-Q429 HydrophobicContact CD2-CB 4.34Å; F426-Q429 PolarHBondContact O-N 3.28Å; F426-M430 HydrophobicContact CD1-SD 4.16Å; F426-M430 HydrophobicContact CD2-CG 4.2Å; F426-M430 HydrophobicContact CE1-CG 4.27Å; F426-M430 HydrophobicContact CE1-SD 3.72Å; F426-M430 HydrophobicContact CE2-CG 3.8Å; F426-M430 HydrophobicContact CE2-SD 4.34Å; F426-M430 HydrophobicContact CZ-CG 3.82Å; F426-M430 HydrophobicContact CZ-SD 3.8Å; F426-M430 WeakPolarHBondContact O-CG 3.36Å; F426-M430 PolarHBondContact O-N 3.28Å; F426-W451 HydrophobicContact CE2-CB 4.11Å; F426-W451 AromaticContact CE2-CD1 3.68Å; F426-W451 HydrophobicContact CE2-CD2 4.18Å; F426-W451 AromaticContact CE2-CG 3.71Å; F426-W451 HydrophobicContact CE2-CG 3.71Å; F426-W451 HydrophobicContact CZ-CB 3.96Å; F426-W451 AromaticContact CZ-CD2 3.99Å; F426-W451 HydrophobicContact CZ-CD2 3.99Å; F426-W451 HydrophobicContact CZ-CE3 4.44Å; F426-W451 AromaticContact CZ-CG 3.76Å; F426-W451 HydrophobicContact CZ-CG 3.76Å; F426-K454 HydrophobicContact CD1-CD 4.48Å; F426-K454 HydrophobicContact CD1-CG 4.27Å; F426-K454 HydrophobicContact CD2-CG 4.11Å; F426-K454 HydrophobicContact CE1-CB 4.07Å; F426-K454 HydrophobicContact CE1-CG 3.91Å; F426-K454 HydrophobicContact CE2-CB 4.4Å; F426-K454 HydrophobicContact CE2-CG 3.75Å; F426-K454 HydrophobicContact CG-CG 4.39Å; F426-K454 HydrophobicContact CZ-CB 3.85Å; F426-K454 HydrophobicContact CZ-CG 3.66Å; F426-L456 HydrophobicContact CE1-CD2 4.01Å; F426-L456 HydrophobicContact CZ-CD2 4.19Å
427	V	97.1	Very high	93.5	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.006	23%	0.232	C	C	.	.	H	α-helix	trans	-61	-44.3	172.6	172.9	0	0	0	0	110.8	L372 L376 L377 L422 T423 E424 M430 L431	L372-V427 HydrophobicContact CB-CG1 3.88Å; L372-V427 HydrophobicContact CD2-CG1 4.22Å; L372-V427 HydrophobicContact CD2-CG2 4.39Å; L376-V427 HydrophobicContact CB-CG1 4.5Å; L376-V427 HydrophobicContact CB-CG2 4.15Å; L376-V427 HydrophobicContact CD1-CG2 3.87Å; L377-V427 HydrophobicContact CD2-CB 4.07Å; L377-V427 HydrophobicContact CD2-CG1 3.65Å; L377-V427 HydrophobicContact CG-CG1 3.85Å; L422-V427 HydrophobicContact CB-CG2 3.67Å; L422-V427 HydrophobicContact CD1-CG2 4.29Å; T423-V427 WeakPolarHBondContact O-CG2 3.49Å; T423-V427 PolarHBondContact O-N 2.87Å; E424-V427 WeakPolarHBondContact O-CB 3.42Å; E424-V427 PolarHBondContact O-N 2.8Å; E424-V427 VanDerWaalsContact O-N 3.08Å; V427-M430 PolarHBondContact O-N 2.99Å; V427-L431 HydrophobicContact CG1-CD1 4.14Å; V427-L431 WeakPolarHBondContact O-CG 3.18Å; V427-L431 PolarHBondContact O-N 3.18Å
428	E	95.8	Very high	91.9	Very high	118 Å²	118	48.7 Å²	48.7	55%	0.551	26%	0.263	S	S	*	.	H	α-helix	trans	-61.3	-43.7	175.7	-69.6	-171.1	162.7	0	0	112.2	E424 F426 L431 G432	E424-E428 PolarHBondContact O-N 2.65Å; F426-E428 VanDerWaalsContact C-N 3.35Å; E428-L431 PolarHBondContact O-N 3.26Å; E428-G432 PolarHBondContact O-N 3.36Å; E428-G432 VanDerWaalsContact O-N 3.12Å
429	Q	96.5	Very high	90.2	Very high	101 Å²	101	51.5 Å²	51.5	47%	0.472	28%	0.282	S	S	.	.	H	α-helix	trans	-58.6	-49.1	174.3	-177.4	-177.4	-4.3	0	0	111.3	E425 F426 L431 G432 D433	E425-Q429 PolarHBondContact O-N 2.95Å; F426-Q429 HydrophobicContact CD2-CB 4.34Å; F426-Q429 PolarHBondContact O-N 3.28Å; Q429-L431 VanDerWaalsContact C-N 3.3Å; Q429-L431 PolarHBondContact O-N 3.31Å; Q429-G432 PolarHBondContact O-N 2.87Å; Q429-G432 VanDerWaalsContact O-N 3.16Å; Q429-D433 PolarHBondContact O-N 3Å; Q429-D433 VanDerWaalsContact O-N 3.12Å
430	M	96.2	Very high	88	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-60.1	-39.7	178.4	-73.2	-177.4	70.6	0	0	112	L372 L422 F426 V427 G432 D433 L434 W451 L456 I458	L372-M430 HydrophobicContact CD1-CB 3.82Å; L372-M430 HydrophobicContact CD1-CE 4.29Å; L422-M430 HydrophobicContact CD1-CE 4.43Å; L422-M430 HydrophobicContact CD1-SD 3.72Å; L422-M430 HydrophobicContact CD2-SD 4.33Å; F426-M430 HydrophobicContact CD1-SD 4.16Å; F426-M430 HydrophobicContact CD2-CG 4.2Å; F426-M430 HydrophobicContact CE1-CG 4.27Å; F426-M430 HydrophobicContact CE1-SD 3.72Å; F426-M430 HydrophobicContact CE2-CG 3.8Å; F426-M430 HydrophobicContact CE2-SD 4.34Å; F426-M430 HydrophobicContact CZ-CG 3.82Å; F426-M430 HydrophobicContact CZ-SD 3.8Å; F426-M430 WeakPolarHBondContact O-CG 3.36Å; F426-M430 PolarHBondContact O-N 3.28Å; V427-M430 PolarHBondContact O-N 2.99Å; M430-G432 VanDerWaalsContact C-N 3.31Å; M430-G432 PolarHBondContact O-N 3.45Å; M430-D433 PolarHBondContact O-N 3.46Å; M430-L434 HydrophobicContact CB-CD1 4.34Å; M430-L434 HydrophobicContact CE-CD1 4.32Å; M430-L434 VanDerWaalsContact O-CB 3.26Å; M430-L434 WeakPolarHBondContact O-CB 3.44Å; M430-L434 WeakPolarHBondContact O-CD1 3.46Å; M430-L434 WeakPolarHBondContact O-CG 3.4Å; M430-L434 PolarHBondContact O-N 3.48Å; M430-W451 HydrophobicContact CB-CZ2 4.19Å; M430-W451 HydrophobicContact CE-CH2 3.81Å; M430-W451 HydrophobicContact CE-CZ2 4.37Å; M430-W451 HydrophobicContact CE-CZ3 4Å; M430-W451 HydrophobicContact CG-CD2 4.49Å; M430-W451 HydrophobicContact CG-CH2 4.15Å; M430-W451 HydrophobicContact CG-CZ2 3.74Å; M430-L456 HydrophobicContact CE-CD2 4.22Å; M430-L456 HydrophobicContact SD-CD2 4.33Å; M430-I458 HydrophobicContact CE-CD1 3.54Å
431	L	94.2	Very high	86	Confident	18 Å²	18	69.2 Å²	69.2	9%	0.094	36%	0.358	C	S	.	.	H	α-helix	trans	-62.7	-37.3	176.8	-78	169	0	0	0	112.5	P369 L372 R373 L377 V427 E428 Q429 H435	P369-L431 HydrophobicContact CB-CD2 4.41Å; L372-L431 HydrophobicContact CB-CD1 4.37Å; L372-L431 HydrophobicContact CB-CD2 3.74Å; L372-L431 HydrophobicContact CB-CG 3.96Å; L372-L431 HydrophobicContact CD1-CD2 4.17Å; L372-L431 HydrophobicContact CD1-CG 4.21Å; R373-L431 HydrophobicContact CB-CD1 4Å; R373-L431 HydrophobicContact CB-CD2 4.09Å; L377-L431 HydrophobicContact CD1-CD1 3.96Å; V427-L431 HydrophobicContact CG1-CD1 4.14Å; V427-L431 WeakPolarHBondContact O-CG 3.18Å; V427-L431 PolarHBondContact O-N 3.18Å; E428-L431 PolarHBondContact O-N 3.26Å; Q429-L431 VanDerWaalsContact C-N 3.3Å; Q429-L431 PolarHBondContact O-N 3.31Å; L431-H435 PolarHBondContact O-N 3.2Å
432	G	93	Very high	84	Confident	45 Å²	45	77.7 Å²	77.7	46%	0.464	40%	0.398	S	S	.	.	H	α-helix	trans	-63.6	-44.4	173.4	0	0	0	0	0	112.4	E428 Q429 M430 H435	E428-G432 PolarHBondContact O-N 3.36Å; E428-G432 VanDerWaalsContact O-N 3.12Å; Q429-G432 PolarHBondContact O-N 2.87Å; Q429-G432 VanDerWaalsContact O-N 3.16Å; M430-G432 VanDerWaalsContact C-N 3.31Å; M430-G432 PolarHBondContact O-N 3.45Å; G432-H435 PolarHBondContact O-ND1 2.92Å
433	D	93.1	Very high	82.1	Confident	73 Å²	73	79 Å²	79	39%	0.39	41%	0.407	S	S	.	.	H	α-helix	trans	-71.6	-32.9	-179.3	-65.2	-28.2	0	0	0	112.5	Q429 M430 Y449 W451	Q429-D433 PolarHBondContact O-N 3Å; Q429-D433 VanDerWaalsContact O-N 3.12Å; M430-D433 PolarHBondContact O-N 3.46Å; D433-Y449 WeakPolarHBondContact O-CE1 3.28Å; D433-W451 HydrophobicContact CB-CZ2 4.03Å; D433-W451 PolarHBondContact OD2-NE1 3.47Å
434	L	90.3	Very high	81.2	Confident	1 Å²	1	86.4 Å²	86.4	1%	0.005	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	7.1	-176.8	-63.2	170.2	0	0	0	114	L368 L372 M430 E436 L437 Y449 W451	L368-L434 HydrophobicContact CB-CD1 4.39Å; L372-L434 HydrophobicContact CD1-CD1 3.75Å; M430-L434 HydrophobicContact CB-CD1 4.34Å; M430-L434 HydrophobicContact CE-CD1 4.32Å; M430-L434 VanDerWaalsContact O-CB 3.26Å; M430-L434 WeakPolarHBondContact O-CB 3.44Å; M430-L434 WeakPolarHBondContact O-CD1 3.46Å; M430-L434 WeakPolarHBondContact O-CG 3.4Å; M430-L434 PolarHBondContact O-N 3.48Å; L434-E436 PolarHBondContact O-N 3.2Å; L434-E436 VanDerWaalsContact O-N 3.09Å; L434-L437 HydrophobicContact CB-CD1 4.26Å; L434-L437 HydrophobicContact CD2-CD1 3.63Å; L434-L437 HydrophobicContact CD2-CG 4.42Å; L434-L437 HydrophobicContact CG-CD1 4.44Å; L434-L437 WeakPolarHBondContact O-CB 3.27Å; L434-L437 PolarHBondContact O-N 3.36Å; L434-Y449 HydrophobicContact CD2-CD1 3.7Å; L434-Y449 HydrophobicContact CD2-CD2 3.59Å; L434-Y449 HydrophobicContact CD2-CE1 3.83Å; L434-Y449 HydrophobicContact CD2-CE2 3.72Å; L434-Y449 HydrophobicContact CD2-CG 3.58Å; L434-W451 HydrophobicContact CD2-CH2 4.34Å; L434-W451 HydrophobicContact CG-CH2 4.47Å
435	H	82.3	Confident	80.7	Confident	128 Å²	128	83.1 Å²	83.1	59%	0.593	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-54.6	-32.8	-175.3	72	-80.6	0	0	0	113.6	L431 G432 L437 G438	L431-H435 PolarHBondContact O-N 3.2Å; G432-H435 PolarHBondContact O-ND1 2.92Å; H435-L437 VanDerWaalsContact C-N 3.27Å; H435-L437 PolarHBondContact O-N 3.38Å; H435-G438 PolarHBondContact O-N 3.04Å
436	E	80.1	Confident	80.5	Confident	99 Å²	99	79.3 Å²	79.3	46%	0.463	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-69.1	-19.5	178.9	-60.4	-174.3	173.1	0	0	114	L434 G438 S439	L434-E436 PolarHBondContact O-N 3.2Å; L434-E436 VanDerWaalsContact O-N 3.09Å; E436-G438 VanDerWaalsContact C-N 3.25Å; E436-G438 PolarHBondContact O-N 3.24Å; E436-S439 PolarHBondContact O-N 3.35Å; E436-S439 PolarHBondContact O-OG 2.92Å
437	L	77.6	Confident	80.2	Confident	3 Å²	3	80 Å²	80	2%	0.016	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-71.2	-22	177.9	-66	-176.4	0	0	0	112.9	L368 L434 H435 S439 K447 Y449 I460	L368-L437 HydrophobicContact CD1-CD1 4.04Å; L434-L437 HydrophobicContact CB-CD1 4.26Å; L434-L437 HydrophobicContact CD2-CD1 3.63Å; L434-L437 HydrophobicContact CD2-CG 4.42Å; L434-L437 HydrophobicContact CG-CD1 4.44Å; L434-L437 WeakPolarHBondContact O-CB 3.27Å; L434-L437 PolarHBondContact O-N 3.36Å; H435-L437 VanDerWaalsContact C-N 3.27Å; H435-L437 PolarHBondContact O-N 3.38Å; L437-S439 VanDerWaalsContact C-N 3.35Å; L437-K447 HydrophobicContact CD2-CD 3.81Å; L437-Y449 HydrophobicContact CD1-CE2 4.17Å; L437-Y449 HydrophobicContact CD2-CE2 4.14Å; L437-Y449 WeakPolarHBondContact CD2-OH 3.46Å; L437-Y449 HydrophobicContact CG-CE2 4.26Å; L437-I460 HydrophobicContact CD1-CD1 4.33Å; L437-I460 HydrophobicContact CD1-CG1 4.33Å; L437-I460 HydrophobicContact CD2-CG1 3.86Å
438	G	60.5	Low	80.1	Confident	64 Å²	64	85.2 Å²	85.2	66%	0.66	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-81.6	-13.2	174.5	0	0	0	0	0	113.8	H435 E436	H435-G438 PolarHBondContact O-N 3.04Å; E436-G438 VanDerWaalsContact C-N 3.25Å; E436-G438 PolarHBondContact O-N 3.24Å
439	S	60.2	Low	80.1	Confident	58 Å²	58	80.9 Å²	80.9	41%	0.406	42%	0.417	S	S	.	.	S	Bend	trans	-80	127	177.9	70.4	0	0	0	0	110.3	E436 L437 D441	E436-S439 PolarHBondContact O-N 3.35Å; E436-S439 PolarHBondContact O-OG 2.92Å; L437-S439 VanDerWaalsContact C-N 3.35Å; S439-D441 PolarHBondContact O-N 3.28Å
440	R	52.5	Low	80	Confident	258 Å²	258	79.6 Å²	79.6	97%	0.974	42%	0.419	S	S	*	.			trans	-64.5	6.4	176.5	-95.8	-174.7	175.7	-172.9	-0.2	114.2	E442	R440-E442 PolarHBondContact O-N 2.81Å
441	D	55.9	Low	80.1	Confident	129 Å²	129	80.1 Å²	80.1	69%	0.69	42%	0.421	S	S	*	.	S	Bend	trans	-68.4	127.2	176.3	-122.3	-13.7	0	0	0	108.5	S439 S443	S439-D441 PolarHBondContact O-N 3.28Å; D441-S443 PolarHBondContact O-N 3.01Å
442	E	55.1	Low	80	Confident	193 Å²	193	83.9 Å²	83.9	90%	0.902	45%	0.447	S	S	*	.			trans	-64.8	75.1	173.3	-75.3	-172.9	164.5	0	0	109.3	R440 K444	R440-E442 PolarHBondContact O-N 2.81Å; E442-K444 PolarHBondContact O-N 2.82Å
443	S	58.8	Low	80.1	Confident	31 Å²	31	90.6 Å²	90.6	22%	0.217	47%	0.466	C	S	.	.	P	Polyproline II helix	trans	-67.2	135.3	-179.5	61.7	0	0	0	0	109.6	D441 L445 K447	D441-S443 PolarHBondContact O-N 3.01Å; S443-L445 PolarHBondContact O-N 3.24Å; S443-L445 VanDerWaalsContact O-N 3.14Å; S443-K447 WeakPolarHBondContact OG-CE 3.44Å; S443-K447 PolarHBondContact OG-NZ 3.31Å
444	K	77.6	Confident	80.2	Confident	198 Å²	198	91.5 Å²	91.5	86%	0.861	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-60	116.9	176.8	-67.5	179.7	-179.8	177.2	0	110.1	E442	E442-K444 PolarHBondContact O-N 2.82Å
445	L	85	Confident	80.5	Confident	59 Å²	59	95.8 Å²	95.8	31%	0.309	49%	0.485	S	S	.	.	S	Bend	trans	-75.3	148.6	170	-65.5	171.6	0	0	0	110.3	Q362 S443 I460 P462	Q362-L445 HydrophobicContact CB-CD1 4.3Å; S443-L445 PolarHBondContact O-N 3.24Å; S443-L445 VanDerWaalsContact O-N 3.14Å; L445-I460 HydrophobicContact CD2-CB 4.05Å; L445-I460 HydrophobicContact CD2-CG2 3.66Å; L445-I460 WeakPolarHBondContact CD2-O 3.4Å; L445-P462 HydrophobicContact CD1-CB 4.33Å
446	P	91.3	Very high	81.2	Confident	81 Å²	81	89.8 Å²	89.8	53%	0.526	46%	0.457	S	S	.	.	P	Polyproline II helix	cis	-83.6	149.2	2.9	34	-35.3	0	0	0	113.7	I460 L461	P446-I460 CarbonylContact C-O 3.56Å; P446-I460 VanDerWaalsContact CA-O 3.26Å; P446-I460 WeakPolarHBondContact CA-O 3.23Å; P446-L461 HydrophobicContact CB-CD2 3.63Å
447	K	91.8	Very high	82	Confident	21 Å²	21	87.4 Å²	87.4	9%	0.091	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	134.1	166.6	-71.6	176.7	147.7	169.2	0	109.4	L437 S443 Y449 S459 I460	L437-K447 HydrophobicContact CD2-CD 3.81Å; S443-K447 WeakPolarHBondContact OG-CE 3.44Å; S443-K447 PolarHBondContact OG-NZ 3.31Å; K447-Y449 HydrophobicContact CB-CE2 4Å; K447-S459 CarbonylContact O-C 3.57Å; K447-S459 VanDerWaalsContact O-CA 3.26Å; K447-S459 WeakPolarHBondContact O-CA 3.35Å; K447-I460 HydrophobicContact CB-CB 4.13Å; K447-I460 HydrophobicContact CB-CG1 4.3Å; K447-I460 PolarHBondContact N-O 2.64Å; K447-I460 PolarHBondContact O-N 3.11Å
448	E	93.8	Very high	83	Confident	111 Å²	111	87.2 Å²	87.2	52%	0.519	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	132.2	179	-56.3	-154	133.3	0	0	111.3	K457 S459	E448-K457 VanDerWaalsContact CD-CE 3.42Å; E448-K457 WeakPolarHBondContact OE1-CE 3.15Å; E448-K457 IonicContact OE1-NZ 3.07Å; E448-K457 PolarHBondContact OE1-NZ 3Å; E448-K457 VanDerWaalsContact OE2-CE 3.29Å; E448-K457 WeakPolarHBondContact OE2-CE 3.1Å; E448-K457 IonicContact OE2-NZ 2.9Å; E448-K457 PolarHBondContact OE2-NZ 3Å; E448-S459 PolarHBondContact OE1-OG 2.79Å; E448-S459 VanDerWaalsContact OE1-OG 3.11Å
449	Y	95.5	Very high	84.6	Confident	28 Å²	28	84.2 Å²	84.2	11%	0.11	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	132.1	175.4	-55.5	-87.8	0	0	0	107.9	D433 L434 L437 K447 W451 K457 I458 I460	D433-Y449 WeakPolarHBondContact O-CE1 3.28Å; L434-Y449 HydrophobicContact CD2-CD1 3.7Å; L434-Y449 HydrophobicContact CD2-CD2 3.59Å; L434-Y449 HydrophobicContact CD2-CE1 3.83Å; L434-Y449 HydrophobicContact CD2-CE2 3.72Å; L434-Y449 HydrophobicContact CD2-CG 3.58Å; L437-Y449 HydrophobicContact CD1-CE2 4.17Å; L437-Y449 HydrophobicContact CD2-CE2 4.14Å; L437-Y449 WeakPolarHBondContact CD2-OH 3.46Å; L437-Y449 HydrophobicContact CG-CE2 4.26Å; K447-Y449 HydrophobicContact CB-CE2 4Å; Y449-W451 HydrophobicContact CG-CH2 4.41Å; Y449-K457 CarbonylContact O-C 3.59Å; Y449-K457 WeakPolarHBondContact O-CA 3.2Å; Y449-I458 PolarHBondContact N-O 2.87Å; Y449-I458 PolarHBondContact O-N 3.41Å; Y449-I460 HydrophobicContact CE2-CG1 4.31Å
450	S	95.8	Very high	86.3	Confident	73 Å²	73	81.5 Å²	81.5	51%	0.51	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	130.6	-174.9	-176.9	0	0	0	0	110.3	P452	S450-P452 WeakPolarHBondContact O-CD 3.45Å
451	W	97.1	Very high	88.2	Confident	11 Å²	11	70.2 Å²	70.2	4%	0.042	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	84.1	173.4	-59.8	-85.6	0	0	0	108.6	F426 M430 D433 L434 Y449 E453 K454 K455 L456 I458	F426-W451 HydrophobicContact CE2-CB 4.11Å; F426-W451 AromaticContact CE2-CD1 3.68Å; F426-W451 HydrophobicContact CE2-CD2 4.18Å; F426-W451 AromaticContact CE2-CG 3.71Å; F426-W451 HydrophobicContact CE2-CG 3.71Å; F426-W451 HydrophobicContact CZ-CB 3.96Å; F426-W451 AromaticContact CZ-CD2 3.99Å; F426-W451 HydrophobicContact CZ-CD2 3.99Å; F426-W451 HydrophobicContact CZ-CE3 4.44Å; F426-W451 AromaticContact CZ-CG 3.76Å; F426-W451 HydrophobicContact CZ-CG 3.76Å; M430-W451 HydrophobicContact CB-CZ2 4.19Å; M430-W451 HydrophobicContact CE-CH2 3.81Å; M430-W451 HydrophobicContact CE-CZ2 4.37Å; M430-W451 HydrophobicContact CE-CZ3 4Å; M430-W451 HydrophobicContact CG-CD2 4.49Å; M430-W451 HydrophobicContact CG-CH2 4.15Å; M430-W451 HydrophobicContact CG-CZ2 3.74Å; D433-W451 HydrophobicContact CB-CZ2 4.03Å; D433-W451 PolarHBondContact OD2-NE1 3.47Å; L434-W451 HydrophobicContact CD2-CH2 4.34Å; L434-W451 HydrophobicContact CG-CH2 4.47Å; Y449-W451 HydrophobicContact CG-CH2 4.41Å; W451-E453 VanDerWaalsContact C-N 3.28Å; W451-E453 PolarHBondContact O-N 3.2Å; W451-K454 HydrophobicContact CB-CB 4.09Å; W451-K454 HydrophobicContact CB-CG 4.47Å; W451-K454 CarbonylContact O-C 3.56Å; W451-K454 WeakPolarHBondContact O-CA 3.06Å; W451-K454 PolarHBondContact O-N 2.83Å; W451-K455 PolarHBondContact O-N 3.32Å; W451-L456 HydrophobicContact CE3-CB 4.41Å; W451-L456 HydrophobicContact CE3-CD2 4.2Å; W451-L456 HydrophobicContact CE3-CG 4.21Å; W451-L456 HydrophobicContact CZ3-CD2 4.45Å; W451-L456 PolarHBondContact N-O 3.19Å; W451-L456 PolarHBondContact O-N 3.42Å; W451-I458 HydrophobicContact CH2-CD1 4.14Å; W451-I458 HydrophobicContact CZ3-CB 4.22Å; W451-I458 HydrophobicContact CZ3-CD1 3.84Å; W451-I458 HydrophobicContact CZ3-CG1 3.88Å
452	P	93.8	Very high	89.8	Confident	98 Å²	98	66.4 Å²	66.4	64%	0.636	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-58.4	-38.3	-174.2	-25.4	35.1	0	0	0	113.4	S450 K454 K455	S450-P452 WeakPolarHBondContact O-CD 3.45Å; P452-K454 PolarHBondContact O-N 2.83Å; P452-K455 PolarHBondContact O-N 3Å
453	E	94.1	Very high	91.3	Very high	185 Å²	185	60.4 Å²	60.4	86%	0.864	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-61.3	-28.6	177.1	-56.6	-64.5	174.3	0	0	112.5	W451	W451-E453 VanDerWaalsContact C-N 3.28Å; W451-E453 PolarHBondContact O-N 3.2Å
454	K	95.4	Very high	92.6	Very high	92 Å²	92	62.6 Å²	62.6	40%	0.4	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-99.1	-3.8	175.2	-61.4	-65.4	-172.1	175.6	0	112.1	Y411 F426 W451 P452 L456	Y411-K454 VanDerWaalsContact CE2-O 3.27Å; Y411-K454 WeakPolarHBondContact CE2-O 3.2Å; Y411-K454 VanDerWaalsContact CZ-O 3.29Å; Y411-K454 PolarHBondContact OH-O 3.07Å; F426-K454 HydrophobicContact CD1-CD 4.48Å; F426-K454 HydrophobicContact CD1-CG 4.27Å; F426-K454 HydrophobicContact CD2-CG 4.11Å; F426-K454 HydrophobicContact CE1-CB 4.07Å; F426-K454 HydrophobicContact CE1-CG 3.91Å; F426-K454 HydrophobicContact CE2-CB 4.4Å; F426-K454 HydrophobicContact CE2-CG 3.75Å; F426-K454 HydrophobicContact CG-CG 4.39Å; F426-K454 HydrophobicContact CZ-CB 3.85Å; F426-K454 HydrophobicContact CZ-CG 3.66Å; W451-K454 HydrophobicContact CB-CB 4.09Å; W451-K454 HydrophobicContact CB-CG 4.47Å; W451-K454 CarbonylContact O-C 3.56Å; W451-K454 WeakPolarHBondContact O-CA 3.06Å; W451-K454 PolarHBondContact O-N 2.83Å; P452-K454 PolarHBondContact O-N 2.83Å; K454-L456 PolarHBondContact O-N 3.05Å
455	K	96.1	Very high	93	Very high	91 Å²	91	56.7 Å²	56.7	40%	0.396	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	32.3	-176.8	-56.8	179	-178.5	168	0	113.7	E354 S355 V356 W451 P452	E354-K455 HydrophobicContact CG-CD 3.83Å; E354-K455 VanDerWaalsContact O-CB 3.27Å; E354-K455 WeakPolarHBondContact O-CB 3.18Å; E354-K455 WeakPolarHBondContact O-CD 3.43Å; E354-K455 IonicContact OE1-NZ 2.61Å; E354-K455 PolarHBondContact OE1-NZ 2.91Å; S355-K455 VanDerWaalsContact CA-O 3.26Å; S355-K455 WeakPolarHBondContact CA-O 3.39Å; S355-K455 WeakPolarHBondContact CB-O 3.3Å; S355-K455 PolarHBondContact OG-O 3.16Å; V356-K455 PolarHBondContact N-O 3.02Å; V356-K455 VanDerWaalsContact N-O 3.09Å; W451-K455 PolarHBondContact O-N 3.32Å; P452-K455 PolarHBondContact O-N 3Å
456	L	97.1	Very high	93	Very high	2 Å²	2	54.8 Å²	54.8	1%	0.01	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	133.2	180	-179.1	65.1	0	0	0	110.3	V356 L358 I420 L422 F426 M430 W451 K454	V356-L456 HydrophobicContact CB-CD1 4.32Å; L358-L456 HydrophobicContact CD1-CD1 4.32Å; L358-L456 HydrophobicContact CG-CD1 4.26Å; I420-L456 HydrophobicContact CD1-CD1 4.37Å; L422-L456 HydrophobicContact CD2-CD2 4.47Å; F426-L456 HydrophobicContact CE1-CD2 4.01Å; F426-L456 HydrophobicContact CZ-CD2 4.19Å; M430-L456 HydrophobicContact CE-CD2 4.22Å; M430-L456 HydrophobicContact SD-CD2 4.33Å; W451-L456 HydrophobicContact CE3-CB 4.41Å; W451-L456 HydrophobicContact CE3-CD2 4.2Å; W451-L456 HydrophobicContact CE3-CG 4.21Å; W451-L456 HydrophobicContact CZ3-CD2 4.45Å; W451-L456 PolarHBondContact N-O 3.19Å; W451-L456 PolarHBondContact O-N 3.42Å; K454-L456 PolarHBondContact O-N 3.05Å
457	K	97.6	Very high	92.3	Very high	49 Å²	49	54.9 Å²	54.9	21%	0.213	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	139.4	171	-172.8	177.4	177.8	177.6	0	110.1	L268 V356 H357 L358 E448 Y449	L268-K457 HydrophobicContact CD1-CB 4.48Å; V356-K457 PolarHBondContact O-N 2.91Å; H357-K457 CarbonylContact C-O 3.41Å; H357-K457 WeakPolarHBondContact CA-O 3.4Å; H357-K457 HydrophobicContact CB-CB 4.44Å; H357-K457 PolarHBondContact CD2-O 3.33Å; L358-K457 PolarHBondContact N-O 3.18Å; E448-K457 VanDerWaalsContact CD-CE 3.42Å; E448-K457 WeakPolarHBondContact OE1-CE 3.15Å; E448-K457 IonicContact OE1-NZ 3.07Å; E448-K457 PolarHBondContact OE1-NZ 3Å; E448-K457 VanDerWaalsContact OE2-CE 3.29Å; E448-K457 WeakPolarHBondContact OE2-CE 3.1Å; E448-K457 IonicContact OE2-NZ 2.9Å; E448-K457 PolarHBondContact OE2-NZ 3Å; Y449-K457 CarbonylContact O-C 3.59Å; Y449-K457 WeakPolarHBondContact O-CA 3.2Å
458	I	97.3	Very high	90.9	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	127.5	170.9	-63.3	-179.5	0	0	0	108.3	L358 F360 L368 M430 Y449 W451 I460	L358-I458 HydrophobicContact CB-CG1 4.17Å; L358-I458 HydrophobicContact CD1-CD1 4.31Å; L358-I458 HydrophobicContact CD1-CG1 4.14Å; L358-I458 HydrophobicContact CG-CG1 4.42Å; L358-I458 CarbonylContact O-C 3.54Å; L358-I458 WeakPolarHBondContact O-CA 3.35Å; F360-I458 HydrophobicContact CD2-CG2 4.02Å; F360-I458 HydrophobicContact CE2-CG2 4.23Å; L368-I458 HydrophobicContact CD1-CG2 3.96Å; M430-I458 HydrophobicContact CE-CD1 3.54Å; Y449-I458 PolarHBondContact N-O 2.87Å; Y449-I458 PolarHBondContact O-N 3.41Å; W451-I458 HydrophobicContact CH2-CD1 4.14Å; W451-I458 HydrophobicContact CZ3-CB 4.22Å; W451-I458 HydrophobicContact CZ3-CD1 3.84Å; W451-I458 HydrophobicContact CZ3-CG1 3.88Å; I458-I460 HydrophobicContact CG2-CD1 4.2Å
459	S	96.1	Very high	88.6	Confident	1 Å²	1	58.7 Å²	58.7	1%	0.007	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	131.6	171.8	-61.7	0	0	0	0	111.3	H357 L358 K359 F360 K447 E448	H357-S459 PolarHBondContact CE1-OG 3.26Å; H357-S459 WeakPolarHBondContact NE2-CB 3.41Å; H357-S459 PolarHBondContact NE2-OG 2.99Å; L358-S459 PolarHBondContact O-N 3.34Å; K359-S459 WeakPolarHBondContact CA-O 3.48Å; F360-S459 PolarHBondContact N-O 3.37Å; K447-S459 CarbonylContact O-C 3.57Å; K447-S459 VanDerWaalsContact O-CA 3.26Å; K447-S459 WeakPolarHBondContact O-CA 3.35Å; E448-S459 PolarHBondContact OE1-OG 2.79Å; E448-S459 VanDerWaalsContact OE1-OG 3.11Å
460	I	94.6	Very high	85.7	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	120.1	167	-44.8	-52.3	0	0	0	107.5	F360 L368 L437 L445 P446 K447 Y449 I458	F360-I460 HydrophobicContact CB-CD1 3.95Å; F360-I460 HydrophobicContact CD2-CD1 4.45Å; F360-I460 CarbonylContact O-C 3.53Å; F360-I460 WeakPolarHBondContact O-CA 3.43Å; L368-I460 HydrophobicContact CD1-CD1 4.12Å; L437-I460 HydrophobicContact CD1-CD1 4.33Å; L437-I460 HydrophobicContact CD1-CG1 4.33Å; L437-I460 HydrophobicContact CD2-CG1 3.86Å; L445-I460 HydrophobicContact CD2-CB 4.05Å; L445-I460 HydrophobicContact CD2-CG2 3.66Å; L445-I460 WeakPolarHBondContact CD2-O 3.4Å; P446-I460 CarbonylContact C-O 3.56Å; P446-I460 VanDerWaalsContact CA-O 3.26Å; P446-I460 WeakPolarHBondContact CA-O 3.23Å; K447-I460 HydrophobicContact CB-CB 4.13Å; K447-I460 HydrophobicContact CB-CG1 4.3Å; K447-I460 PolarHBondContact N-O 2.64Å; K447-I460 PolarHBondContact O-N 3.11Å; Y449-I460 HydrophobicContact CE2-CG1 4.31Å; I458-I460 HydrophobicContact CG2-CD1 4.2Å
461	L	93.5	Very high	82.8	Confident	21 Å²	21	73.7 Å²	73.7	11%	0.11	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	157.1	-168.1	-60	-179	0	0	0	111	K359 F360 N361 P446 V465 F466	K359-L461 HydrophobicContact CB-CD1 3.98Å; K359-L461 HydrophobicContact CD-CD1 3.93Å; K359-L461 HydrophobicContact CG-CD1 3.89Å; F360-L461 PolarHBondContact O-N 2.75Å; N361-L461 WeakPolarHBondContact CA-O 3.39Å; P446-L461 HydrophobicContact CB-CD2 3.63Å; L461-V465 HydrophobicContact CB-CB 4.46Å; L461-V465 HydrophobicContact CB-CG2 4.27Å; L461-V465 HydrophobicContact CD1-CG1 4Å; L461-F466 HydrophobicContact CB-CE2 3.92Å; L461-F466 HydrophobicContact CB-CZ 4.2Å
462	P	89.8	Confident	82.1	Confident	49 Å²	49	76.8 Å²	76.8	32%	0.318	41%	0.406	S	S	.	.			trans	-67.7	150.3	173.6	27.8	-32.5	0	0	0	111.6	L445 S464 V465	L445-P462 HydrophobicContact CD1-CB 4.33Å; P462-S464 PolarHBondContact O-N 2.89Å; P462-V465 HydrophobicContact CG-CG2 4.12Å; P462-V465 WeakPolarHBondContact O-CB 3.38Å; P462-V465 PolarHBondContact O-N 3.17Å
463	D	85.9	Confident	81.5	Confident	67 Å²	67	75.7 Å²	75.7	36%	0.358	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-51.5	-33.7	-178.7	-90.5	19.5	0	0	0	114	K262 N361 V465 F466 D467	K262-D463 VanDerWaalsContact NZ-CG 3.33Å; K262-D463 IonicContact NZ-OD2 3.86Å; K262-D463 PolarHBondContact NZ-OD2 3.12Å; N361-D463 VanDerWaalsContact CB-OD1 3.24Å; N361-D463 WeakPolarHBondContact CB-OD1 3.4Å; N361-D463 PolarHBondContact ND2-OD1 3.41Å; D463-V465 PolarHBondContact O-N 3.37Å; D463-F466 PolarHBondContact O-N 3.25Å; D463-D467 PolarHBondContact O-N 3.45Å; D463-D467 VanDerWaalsContact O-N 3.15Å
464	S	86.8	Confident	80.8	Confident	78 Å²	78	69.6 Å²	69.6	55%	0.545	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-57.2	-23.4	179.2	59.5	0	0	0	0	114.3	P462 F466	P462-S464 PolarHBondContact O-N 2.89Å; S464-F466 VanDerWaalsContact C-N 3.34Å
465	V	85.6	Confident	79.9	Confident	73 Å²	73	68.3 Å²	68.3	44%	0.442	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-72	-30.9	175.8	178.9	0	0	0	0	111.4	L461 P462 D463	L461-V465 HydrophobicContact CB-CB 4.46Å; L461-V465 HydrophobicContact CB-CG2 4.27Å; L461-V465 HydrophobicContact CD1-CG1 4Å; P462-V465 HydrophobicContact CG-CG2 4.12Å; P462-V465 WeakPolarHBondContact O-CB 3.38Å; P462-V465 PolarHBondContact O-N 3.17Å; D463-V465 PolarHBondContact O-N 3.37Å
466	F	83.5	Confident	78.9	Confident	19 Å²	19	66.9 Å²	66.9	8%	0.083	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-23.9	-176.5	-56.7	-85.6	0	0	0	112.6	K262 V264 K359 N361 N388 L461 D463 S464 N468	K262-F466 HydrophobicContact CB-CB 3.98Å; K262-F466 HydrophobicContact CB-CD1 4.15Å; K262-F466 HydrophobicContact CB-CD2 4.16Å; K262-F466 HydrophobicContact CB-CG 3.83Å; K262-F466 HydrophobicContact CD-CB 4.03Å; K262-F466 HydrophobicContact CG-CB 4.16Å; V264-F466 HydrophobicContact CG1-CE1 4.11Å; K359-F466 HydrophobicContact CB-CE1 4.35Å; K359-F466 HydrophobicContact CB-CZ 4.32Å; N361-F466 HydrophobicContact CB-CD2 3.96Å; N361-F466 HydrophobicContact CB-CE2 3.71Å; N361-F466 HydrophobicContact CB-CZ 4.46Å; N388-F466 PolarHBondContact ND2-O 2.87Å; L461-F466 HydrophobicContact CB-CE2 3.92Å; L461-F466 HydrophobicContact CB-CZ 4.2Å; D463-F466 PolarHBondContact O-N 3.25Å; S464-F466 VanDerWaalsContact C-N 3.34Å; F466-N468 VanDerWaalsContact C-N 3.29Å; F466-N468 PolarHBondContact O-N 2.84Å
467	D	78.2	Confident	77.7	Confident	83 Å²	83	71.2 Å²	71.2	44%	0.444	39%	0.388	S	S	.	.	S	Bend	trans	-79.8	-9.8	-177.1	-63.8	-26.7	0	0	0	113.3	K262 D463 P469	K262-D467 WeakPolarHBondContact CE-OD1 3.47Å; K262-D467 IonicContact NZ-OD1 3.13Å; K262-D467 PolarHBondContact NZ-OD1 3.25Å; K262-D467 IonicContact NZ-OD2 3.73Å; K262-D467 PolarHBondContact NZ-OD2 3.18Å; K262-D467 VanDerWaalsContact NZ-OD2 3.13Å; D463-D467 PolarHBondContact O-N 3.45Å; D463-D467 VanDerWaalsContact O-N 3.15Å; D467-P469 VanDerWaalsContact O-CD 3.3Å; D467-P469 WeakPolarHBondContact O-CD 3.5Å
468	N	60.6	Low	76.3	Confident	105 Å²	105	72.8 Å²	72.8	56%	0.561	40%	0.4	S	S	*	.			trans	-110.2	95.4	175.5	-94.7	-34.2	0	0	0	111.6	F466 L470	F466-N468 VanDerWaalsContact C-N 3.29Å; F466-N468 PolarHBondContact O-N 2.84Å; N468-L470 PolarHBondContact O-N 3.04Å
469	P	46.3	Very low	74.7	Confident	107 Å²	107	78.4 Å²	78.4	70%	0.695	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	15.1	179.6	29.3	-34.3	0	0	0	114.7	D467	D467-P469 VanDerWaalsContact O-CD 3.3Å; D467-P469 WeakPolarHBondContact O-CD 3.5Å
470	L	35.6	Very low	72.9	Confident	165 Å²	165	84.8 Å²	84.8	86%	0.864	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.6	27.7	-169.9	-75.5	172	0	0	0	114.5	N468	N468-L470 PolarHBondContact O-N 3.04Å
471	Q	34.2	Very low	70.9	Confident	251 Å²	251	92.5 Å²	92.5	100%	1.173	51%	0.509	S	S	*	.			trans	-104	0	164.4	-88.5	-170.3	-13.8	0	0	111.9

Retrieved 471 of 471 residues in 329 ms (Link to these results)

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