A0A3Q0KNY3_SCHMA Loading...

Poly [ADP-ribose] polymerase

AlphaFold DB , UniProt , Accession A0A3Q0KNY3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 536 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40	Very low	33.1	Very low	242 Å²	242	149 Å²	149	100%	1.192	82%	0.823	S	S	*	*				0	124.3	0	-79.2	173.2	175.2	0	0	108.4	R3	M1-R3 PolarHBondContact O-N 2.88Å
2	K	34.6	Very low	32.7	Very low	215 Å²	215	142.5 Å²	142.5	94%	0.935	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-60.2	128.2	179.8	-79.7	178.2	173.3	177.6	0	109.5
3	R	33.5	Very low	32.1	Very low	237 Å²	237	140.3 Å²	140.3	89%	0.894	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-63.1	143.3	174.2	-70.8	-177	-175.1	-173.8	1.2	109.6	M1 A5	M1-R3 PolarHBondContact O-N 2.88Å; R3-A5 PolarHBondContact O-N 3.17Å
4	P	36.1	Very low	32.2	Very low	116 Å²	116	136.7 Å²	136.7	75%	0.753	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-67.2	136.4	-179.3	-5.2	21.3	0	0	0	109.1	D6	P4-D6 PolarHBondContact O-N 2.93Å
5	A	35.3	Very low	32.4	Very low	95 Å²	95	142.1 Å²	142.1	79%	0.785	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-67.3	120.9	167.2	0	0	0	0	0	107.9	R3 S7	R3-A5 PolarHBondContact O-N 3.17Å; A5-S7 VanDerWaalsContact C-N 3.33Å; A5-S7 PolarHBondContact O-N 2.85Å
6	D	33.9	Very low	32.8	Very low	152 Å²	152	146.3 Å²	146.3	81%	0.813	77%	0.765	S	S	*	*			trans	-61.3	96.2	170.2	-67.7	-41.8	0	0	0	108.5	P4 V8	P4-D6 PolarHBondContact O-N 2.93Å; D6-V8 VanDerWaalsContact C-N 3.26Å; D6-V8 PolarHBondContact O-N 3.05Å
7	S	31.9	Very low	33.6	Very low	115 Å²	115	139.6 Å²	139.6	80%	0.804	74%	0.736	S	S	*	*			trans	-70.6	92.9	161.7	58.5	0	0	0	0	106.5	A5 G9	A5-S7 VanDerWaalsContact C-N 3.33Å; A5-S7 PolarHBondContact O-N 2.85Å; S7-G9 PolarHBondContact O-N 2.87Å
8	V	30.3	Very low	34.5	Very low	133 Å²	133	136.3 Å²	136.3	81%	0.806	72%	0.718	S	S	*	*			trans	-61.7	91.8	165.2	-178.3	0	0	0	0	106.4	D6 D10	D6-V8 VanDerWaalsContact C-N 3.26Å; D6-V8 PolarHBondContact O-N 3.05Å; V8-D10 PolarHBondContact O-N 3.04Å
9	G	29.7	Very low	35.5	Very low	58 Å²	58	130.1 Å²	130.1	60%	0.598	69%	0.686	S	S	*	*			trans	-64	114.2	168.3	0	0	0	0	0	107.4	S7 D11	S7-G9 PolarHBondContact O-N 2.87Å; G9-D11 PolarHBondContact O-N 3.03Å
10	D	30.3	Very low	36.9	Very low	141 Å²	141	125.8 Å²	125.8	75%	0.754	66%	0.662	S	S	*	*			trans	-71.4	58.9	173.2	-148.8	6.3	0	0	0	108.5	V8 C12	V8-D10 PolarHBondContact O-N 3.04Å; D10-C12 VanDerWaalsContact C-N 3.31Å; D10-C12 PolarHBondContact O-N 3.24Å
11	D	28.7	Very low	38.4	Very low	135 Å²	135	120 Å²	120	72%	0.722	63%	0.633	S	S	*	*			trans	-94.9	58.8	179.8	-98.3	-11.6	0	0	0	109.9	G9 T13	G9-D11 PolarHBondContact O-N 3.03Å; D11-T13 PolarHBondContact O-N 2.85Å
12	C	28.1	Very low	40.3	Very low	71 Å²	71	111.1 Å²	111.1	48%	0.48	59%	0.587	S	S	.	*			trans	-74.6	73.3	155.6	-160.5	0	0	0	0	107.4	D10 F14	D10-C12 VanDerWaalsContact C-N 3.31Å; D10-C12 PolarHBondContact O-N 3.24Å; C12-F14 PolarHBondContact O-N 3.18Å
13	T	24.9	Very low	42.7	Very low	114 Å²	114	100.9 Å²	100.9	70%	0.699	54%	0.543	S	S	*	.			trans	-76.4	81.5	173.9	41.1	0	0	0	0	108.6	D11 R15	D11-T13 PolarHBondContact O-N 2.85Å; T13-R15 PolarHBondContact O-N 3.2Å
14	F	33.8	Very low	45.2	Very low	90 Å²	90	90.2 Å²	90.2	40%	0.395	50%	0.504	S	S	.	.			trans	-46.2	132.1	159.5	-78.4	-94.6	0	0	0	109.1	C12 R16 F173	C12-F14 PolarHBondContact O-N 3.18Å; F14-R16 HydrophobicContact CB-CB 4.17Å; F14-R16 PolarHBondContact O-N 3.16Å; F14-F173 HydrophobicContact CE1-CB 3.27Å; F14-F173 HydrophobicContact CE1-CD1 4.33Å; F14-F173 AromaticContact CE1-CD2 3.91Å; F14-F173 HydrophobicContact CE1-CD2 3.91Å; F14-F173 AromaticContact CE1-CG 3.6Å; F14-F173 HydrophobicContact CE1-CG 3.6Å; F14-F173 HydrophobicContact CZ-CB 3.44Å; F14-F173 VanDerWaalsContact CZ-CB 3.44Å; F14-F173 AromaticContact CZ-CD2 3.54Å; F14-F173 HydrophobicContact CZ-CD2 3.54Å; F14-F173 HydrophobicContact CZ-CE2 4.49Å; F14-F173 AromaticContact CZ-CG 3.69Å; F14-F173 HydrophobicContact CZ-CG 3.69Å
15	R	34.7	Very low	47.8	Very low	218 Å²	218	84.9 Å²	84.9	82%	0.823	47%	0.47	S	S	*	.			trans	-68.3	67.6	153.2	-71.7	-173.9	-178.6	-173.2	-1.1	107.8	T13 A17	T13-R15 PolarHBondContact O-N 3.2Å; R15-A17 VanDerWaalsContact C-N 3.34Å; R15-A17 PolarHBondContact O-N 3.24Å
16	R	39.5	Very low	50.3	Low	208 Å²	208	81 Å²	81	79%	0.785	44%	0.436	S	S	*	.			trans	-67.8	101.2	173.6	-156.2	174.2	-169.9	171	1	104.4	F14 I18	F14-R16 HydrophobicContact CB-CB 4.17Å; F14-R16 PolarHBondContact O-N 3.16Å; R16-I18 PolarHBondContact O-N 3.44Å
17	A	46.5	Very low	52.8	Low	33 Å²	33	76.6 Å²	76.6	27%	0.273	41%	0.414	S	S	.	.			trans	-52.7	114.2	168.3	0	0	0	0	0	106.2	R15 C19 P24 V27	R15-A17 VanDerWaalsContact C-N 3.34Å; R15-A17 PolarHBondContact O-N 3.24Å; A17-C19 VanDerWaalsContact C-N 3.32Å; A17-C19 PolarHBondContact O-N 2.93Å; A17-P24 HydrophobicContact CB-CB 3.64Å; A17-P24 HydrophobicContact CB-CG 4.22Å; A17-V27 HydrophobicContact CB-CG1 4.24Å
18	I	48.7	Very low	55.6	Low	80 Å²	80	74.4 Å²	74.4	41%	0.41	39%	0.391	S	S	.	.			trans	-70.1	97.8	-179.6	-56.9	176.5	0	0	0	104.8	R16 K20 T147	R16-I18 PolarHBondContact O-N 3.44Å; I18-K20 HydrophobicContact CG2-CG 3.96Å; I18-K20 PolarHBondContact O-N 2.87Å; I18-K20 VanDerWaalsContact O-N 3.15Å; I18-T147 HydrophobicContact CG2-CG2 4.24Å
19	C	53.5	Low	58.6	Low	18 Å²	18	68.1 Å²	68.1	12%	0.122	35%	0.353	C	S	.	.			trans	-78.4	101.6	173.7	-61	0	0	0	0	107.2	A17 P24 Q142	A17-C19 VanDerWaalsContact C-N 3.32Å; A17-C19 PolarHBondContact O-N 2.93Å; C19-P24 HydrophobicContact CB-CB 4.47Å; C19-P24 WeakPolarHBondContact SG-CB 3.41Å; C19-P24 WeakPolarHBondContact SG-CD 3.42Å; C19-P24 VanDerWaalsContact SG-CG 3.58Å; C19-Q142 PolarHBondContact SG-NE2 3.47Å; C19-Q142 PolarHBondContact SG-OE1 3.4Å
20	K	63.9	Low	61.5	Low	44 Å²	44	70.8 Å²	70.8	19%	0.191	36%	0.358	C	S	.	.			trans	-88.3	118.6	160.2	-55.8	-173	-174.4	-174.4	0	105.1	I18 D34 Y37 E71	I18-K20 HydrophobicContact CG2-CG 3.96Å; I18-K20 PolarHBondContact O-N 2.87Å; I18-K20 VanDerWaalsContact O-N 3.15Å; K20-D34 PolarHBondContact NZ-O 3.14Å; K20-Y37 WeakPolarHBondContact O-CB 3.4Å; K20-E71 WeakPolarHBondContact CD-OE1 3.46Å; K20-E71 WeakPolarHBondContact CE-OE1 3.39Å; K20-E71 VanDerWaalsContact NZ-CD 3.3Å; K20-E71 IonicContact NZ-OE1 3.02Å; K20-E71 PolarHBondContact NZ-OE1 3.48Å; K20-E71 IonicContact NZ-OE2 3.33Å; K20-E71 PolarHBondContact NZ-OE2 3.22Å; K20-E71 VanDerWaalsContact NZ-OE2 3.16Å
21	G	67.8	Low	64.4	Low	5 Å²	5	67.6 Å²	67.6	5%	0.052	35%	0.35	C	S	.	.	S	Bend	trans	82.8	-156	-172.6	0	0	0	0	0	115.1
22	K	80.5	Confident	67.4	Low	56 Å²	56	62.4 Å²	62.4	24%	0.243	32%	0.322	C	S	.	.	S	Bend	trans	-79.8	-18.9	-170.9	-63.2	-168.3	171.9	-171.2	0	115.3	Y40 G42 D43 I45 Y139	K22-Y40 HydrophobicContact CB-CD1 4.38Å; K22-Y40 HydrophobicContact CD-CD2 3.93Å; K22-Y40 HydrophobicContact CD-CE2 4.36Å; K22-Y40 HydrophobicContact CD-CG 4.05Å; K22-Y40 HydrophobicContact CG-CD1 4.13Å; K22-Y40 HydrophobicContact CG-CD2 4.27Å; K22-Y40 HydrophobicContact CG-CE1 4.3Å; K22-Y40 HydrophobicContact CG-CE2 4.45Å; K22-Y40 HydrophobicContact CG-CG 4.12Å; K22-G42 WeakPolarHBondContact CE-O 3.33Å; K22-G42 PolarHBondContact NZ-O 3.37Å; K22-D43 IonicContact NZ-OD1 3.42Å; K22-D43 PolarHBondContact NZ-OD1 3.35Å; K22-I45 HydrophobicContact CB-CD1 3.54Å; K22-I45 HydrophobicContact CB-CG1 3.83Å; K22-I45 HydrophobicContact CD-CD1 4.14Å; K22-I45 HydrophobicContact CD-CG1 4Å; K22-I45 HydrophobicContact CG-CD1 4.46Å; K22-Y139 WeakPolarHBondContact O-CB 3.14Å
23	A	84.8	Confident	70.3	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.306	C	S	.	.	S	Bend	trans	-142.7	148.3	176.7	0	0	0	0	0	110.9	V38 I45 D47 Y139	A23-V38 HydrophobicContact CB-CB 4.03Å; A23-V38 HydrophobicContact CB-CG1 4.09Å; A23-V38 HydrophobicContact CB-CG2 4.09Å; A23-V38 WeakPolarHBondContact O-CG2 3.25Å; A23-I45 HydrophobicContact CB-CG2 3.82Å; A23-D47 HydrophobicContact CB-CB 4.29Å; A23-Y139 HydrophobicContact CB-CD2 3.65Å; A23-Y139 HydrophobicContact CB-CE2 3.84Å; A23-Y139 HydrophobicContact CB-CG 4.09Å
24	P	85.9	Confident	73.4	Confident	13 Å²	13	60 Å²	60	8%	0.084	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-70.9	142.3	177	23.4	-24.7	0	0	0	111.6	A17 C19 V38 Q66 Y139	A17-P24 HydrophobicContact CB-CB 3.64Å; A17-P24 HydrophobicContact CB-CG 4.22Å; C19-P24 HydrophobicContact CB-CB 4.47Å; C19-P24 WeakPolarHBondContact SG-CB 3.41Å; C19-P24 WeakPolarHBondContact SG-CD 3.42Å; C19-P24 VanDerWaalsContact SG-CG 3.58Å; P24-V38 WeakPolarHBondContact O-CG2 3.39Å; P24-Q66 PolarHBondContact O-NE2 3.3Å; P24-Y139 HydrophobicContact CG-CD1 3.93Å; P24-Y139 HydrophobicContact CG-CE1 3.89Å
25	V	90.4	Very high	76.1	Confident	4 Å²	4	57.9 Å²	57.9	2%	0.024	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-64.4	136.3	160.9	-176.1	0	0	0	0	108.4	V27 C29 K32 A36 V38 L68	V25-V27 PolarHBondContact O-N 3.32Å; V25-C29 HydrophobicContact CG1-CB 4.04Å; V25-K32 HydrophobicContact CG1-CB 4.48Å; V25-A36 VanDerWaalsContact CG2-O 3.31Å; V25-A36 WeakPolarHBondContact CG2-O 3.46Å; V25-V38 HydrophobicContact CG2-CG2 4.39Å; V25-L68 HydrophobicContact CB-CD2 4.49Å; V25-L68 HydrophobicContact CG1-CD1 4.01Å; V25-L68 HydrophobicContact CG1-CD2 4.08Å; V25-L68 HydrophobicContact CG2-CD2 3.98Å
26	D	89.6	Confident	78.8	Confident	13 Å²	13	47.5 Å²	47.5	7%	0.07	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-52.4	125	174.6	-172.3	-17	0	0	0	110.4	E28 C29 W79 R81	D26-E28 PolarHBondContact O-N 3.33Å; D26-E28 VanDerWaalsContact O-N 3.1Å; D26-E28 PolarHBondContact OD1-N 3.02Å; D26-E28 VanDerWaalsContact OD1-N 3.13Å; D26-C29 HydrophobicContact CB-CB 4.48Å; D26-C29 WeakPolarHBondContact O-CA 3.37Å; D26-C29 VanDerWaalsContact O-CB 3.24Å; D26-C29 WeakPolarHBondContact O-CB 3.37Å; D26-C29 PolarHBondContact O-N 3.2Å; D26-W79 PolarHBondContact OD2-NE1 2.91Å; D26-R81 IonicContact OD1-CZ 3.07Å; D26-R81 IonicContact OD1-NE 3.2Å; D26-R81 PolarHBondContact OD1-NE 3.05Å; D26-R81 IonicContact OD1-NH2 2.65Å; D26-R81 PolarHBondContact OD1-NH2 3.19Å; D26-R81 IonicContact OD2-CZ 3.8Å; D26-R81 IonicContact OD2-NE 3.19Å; D26-R81 PolarHBondContact OD2-NE 3.02Å; D26-R81 IonicContact OD2-NH2 2.79Å; D26-R81 PolarHBondContact OD2-NH2 2.95Å
27	V	86.2	Confident	81.4	Confident	60 Å²	60	39.8 Å²	39.8	36%	0.364	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-21.3	-176.3	-62.1	0	0	0	0	113.5	A17 V25 C29	A17-V27 HydrophobicContact CB-CG1 4.24Å; V25-V27 PolarHBondContact O-N 3.32Å; V27-C29 VanDerWaalsContact C-N 3.3Å
28	E	89.9	Confident	83.6	Confident	69 Å²	69	38.2 Å²	38.2	32%	0.322	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-10.3	174.2	-61.4	-65.6	162.4	0	0	112.7	D26 V30 W79	D26-E28 PolarHBondContact O-N 3.33Å; D26-E28 VanDerWaalsContact O-N 3.1Å; D26-E28 PolarHBondContact OD1-N 3.02Å; D26-E28 VanDerWaalsContact OD1-N 3.13Å; E28-V30 PolarHBondContact O-N 3.37Å; E28-W79 HydrophobicContact CB-CZ2 4.14Å; E28-W79 WeakPolarHBondContact O-CH2 3.08Å
29	C	92.4	Very high	85.8	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.007	20%	0.2	C	C	.	.			trans	-82.2	61.6	173	-161.7	0	0	0	0	110.5	V25 D26 V27 A31 K32 V33 W79	V25-C29 HydrophobicContact CG1-CB 4.04Å; D26-C29 HydrophobicContact CB-CB 4.48Å; D26-C29 WeakPolarHBondContact O-CA 3.37Å; D26-C29 VanDerWaalsContact O-CB 3.24Å; D26-C29 WeakPolarHBondContact O-CB 3.37Å; D26-C29 PolarHBondContact O-N 3.2Å; V27-C29 VanDerWaalsContact C-N 3.3Å; C29-A31 PolarHBondContact O-N 3.33Å; C29-K32 PolarHBondContact O-N 3.07Å; C29-V33 WeakPolarHBondContact O-CB 3.38Å; C29-V33 PolarHBondContact O-N 3.37Å; C29-W79 HydrophobicContact CB-CD2 3.73Å; C29-W79 HydrophobicContact CB-CE3 4.02Å; C29-W79 HydrophobicContact CB-CG 4.16Å; C29-W79 HydrophobicContact CB-CH2 4.04Å; C29-W79 HydrophobicContact CB-CZ2 3.83Å; C29-W79 HydrophobicContact CB-CZ3 4.16Å; C29-W79 VanDerWaalsContact SG-CD2 3.58Å
30	V	91.5	Very high	87.6	Confident	114 Å²	114	37.6 Å²	37.6	69%	0.691	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-32	-174.4	-177.7	0	0	0	0	112.7	E28 K32	E28-V30 PolarHBondContact O-N 3.37Å; V30-K32 VanDerWaalsContact C-N 3.28Å; V30-K32 PolarHBondContact O-N 3.12Å
31	A	91.8	Very high	88.8	Confident	73 Å²	73	39.2 Å²	39.2	60%	0.603	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-20.4	178.7	0	0	0	0	0	114.7	C29 S35 L93	C29-A31 PolarHBondContact O-N 3.33Å; A31-S35 PolarHBondContact O-OG 2.82Å; A31-L93 HydrophobicContact CB-CD2 4.11Å
32	K	92	Very high	89.7	Confident	27 Å²	27	41.7 Å²	41.7	12%	0.117	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.9	-14.7	-172.3	-65.5	-69.7	176	-179.9	0	114.4	V25 C29 V30 D34 S35 A36 L68 D70 L93	V25-K32 HydrophobicContact CG1-CB 4.48Å; C29-K32 PolarHBondContact O-N 3.07Å; V30-K32 VanDerWaalsContact C-N 3.28Å; V30-K32 PolarHBondContact O-N 3.12Å; K32-D34 PolarHBondContact O-N 3.34Å; K32-D34 VanDerWaalsContact O-N 3.14Å; K32-S35 PolarHBondContact O-N 3.07Å; K32-S35 VanDerWaalsContact O-N 3.13Å; K32-A36 HydrophobicContact CB-CB 4.01Å; K32-A36 HydrophobicContact CD-CB 4.07Å; K32-A36 WeakPolarHBondContact O-CB 3.4Å; K32-A36 PolarHBondContact O-N 3.4Å; K32-L68 HydrophobicContact CB-CD1 3.81Å; K32-L68 HydrophobicContact CG-CD1 4.1Å; K32-D70 WeakPolarHBondContact CD-OD1 3.35Å; K32-D70 IonicContact NZ-OD1 3.66Å; K32-D70 PolarHBondContact NZ-OD1 2.88Å; K32-D70 IonicContact NZ-OD2 2.93Å; K32-D70 PolarHBondContact NZ-OD2 2.95Å; K32-L93 HydrophobicContact CG-CD1 4.39Å; K32-L93 HydrophobicContact CG-CD2 4.02Å
33	V	88.3	Confident	89.8	Confident	25 Å²	25	45.5 Å²	45.5	15%	0.152	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-34	-174.8	68.5	0	0	0	0	113.6	C29	C29-V33 WeakPolarHBondContact O-CB 3.38Å; C29-V33 PolarHBondContact O-N 3.37Å
34	D	88.7	Confident	90	Very high	109 Å²	109	47.4 Å²	47.4	58%	0.583	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	-5.9	-178.3	-67.3	-44.6	0	0	0	114.2	K20 K32	K20-D34 PolarHBondContact NZ-O 3.14Å; K32-D34 PolarHBondContact O-N 3.34Å; K32-D34 VanDerWaalsContact O-N 3.14Å
35	S	91.1	Very high	90.3	Very high	45 Å²	45	49 Å²	49	32%	0.315	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.5	-9.1	-169.9	56.5	0	0	0	0	115	A31 K32 E71	A31-S35 PolarHBondContact O-OG 2.82Å; K32-S35 PolarHBondContact O-N 3.07Å; K32-S35 VanDerWaalsContact O-N 3.13Å; S35-E71 PolarHBondContact O-N 3.41Å
36	A	92.7	Very high	90.5	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	167.2	-178.5	0	0	0	0	0	111.9	V25 K32 L68 K69	V25-A36 VanDerWaalsContact CG2-O 3.31Å; V25-A36 WeakPolarHBondContact CG2-O 3.46Å; K32-A36 HydrophobicContact CB-CB 4.01Å; K32-A36 HydrophobicContact CD-CB 4.07Å; K32-A36 WeakPolarHBondContact O-CB 3.4Å; K32-A36 PolarHBondContact O-N 3.4Å; A36-L68 HydrophobicContact CB-CB 4.36Å; A36-K69 CarbonylContact C-O 3.55Å; A36-K69 VanDerWaalsContact CA-O 3.25Å; A36-K69 WeakPolarHBondContact CA-O 3.45Å; A36-K69 VanDerWaalsContact CB-O 3.32Å; A36-K69 WeakPolarHBondContact CB-O 3.4Å
37	Y	92.3	Very high	90.7	Very high	46 Å²	46	49.5 Å²	49.5	18%	0.18	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	158.5	168.9	57.9	-83.8	0	0	0	110.7	K20 Y39 Y40 L68 K69 E71	K20-Y37 WeakPolarHBondContact O-CB 3.4Å; Y37-Y39 PolarHBondContact O-N 2.93Å; Y37-Y40 HydrophobicContact CD2-CD1 4.46Å; Y37-Y40 HydrophobicContact CD2-CE1 4.23Å; Y37-Y40 HydrophobicContact CE2-CE1 4.22Å; Y37-L68 CarbonylContact O-C 3.56Å; Y37-L68 WeakPolarHBondContact O-CA 3.24Å; Y37-K69 VanDerWaalsContact CD1-O 3.3Å; Y37-K69 WeakPolarHBondContact CD1-O 3.31Å; Y37-K69 HydrophobicContact CE1-CB 4.24Å; Y37-K69 HydrophobicContact CE1-CD 4.31Å; Y37-K69 HydrophobicContact CE1-CG 4.12Å; Y37-K69 HydrophobicContact CE2-CB 4.18Å; Y37-K69 HydrophobicContact CE2-CD 4.27Å; Y37-K69 PolarHBondContact N-O 2.88Å; Y37-K69 PolarHBondContact O-N 2.92Å; Y37-K69 WeakPolarHBondContact OH-CD 3.48Å; Y37-K69 WeakPolarHBondContact OH-CE 3.41Å; Y37-K69 PolarHBondContact OH-NZ 3.14Å; Y37-E71 HydrophobicContact CD1-CG 4.03Å; Y37-E71 HydrophobicContact CE1-CG 4.43Å
38	V	93.5	Very high	91.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	124.2	170.2	176.4	0	0	0	0	108.8	A23 P24 V25 Y40 I45 D47 L67 L68	A23-V38 HydrophobicContact CB-CB 4.03Å; A23-V38 HydrophobicContact CB-CG1 4.09Å; A23-V38 HydrophobicContact CB-CG2 4.09Å; A23-V38 WeakPolarHBondContact O-CG2 3.25Å; P24-V38 WeakPolarHBondContact O-CG2 3.39Å; V25-V38 HydrophobicContact CG2-CG2 4.39Å; V38-Y40 WeakPolarHBondContact O-CD1 3.37Å; V38-I45 HydrophobicContact CG1-CG2 3.8Å; V38-D47 HydrophobicContact CG1-CB 3.87Å; V38-L67 CarbonylContact C-O 3.38Å; V38-L67 WeakPolarHBondContact CA-O 3.41Å; V38-L68 HydrophobicContact CG2-CD2 4.01Å
39	Y	94.4	Very high	91.3	Very high	23 Å²	23	43.9 Å²	43.9	9%	0.09	25%	0.253	C	S	.	.			trans	-66.5	141	-178.8	-176.2	-98.5	0	0	0	111.9	Y37 E41 Y46 L67 K69 Y76 L100	Y37-Y39 PolarHBondContact O-N 2.93Å; Y39-E41 HydrophobicContact CE1-CG 3.66Å; Y39-E41 WeakPolarHBondContact OH-CG 3.44Å; Y39-E41 PolarHBondContact OH-OE1 3.07Å; Y39-Y46 AromaticContact CD1-CD2 3.68Å; Y39-Y46 HydrophobicContact CD1-CD2 3.68Å; Y39-Y46 AromaticContact CD1-CE2 3.98Å; Y39-Y46 HydrophobicContact CD1-CE2 3.98Å; Y39-Y46 HydrophobicContact CD1-CG 4.28Å; Y39-Y46 HydrophobicContact CE1-CD2 4.17Å; Y39-Y46 AromaticContact CE1-CE2 3.98Å; Y39-Y46 HydrophobicContact CE1-CE2 3.98Å; Y39-Y46 PolarHBondContact O-N 2.93Å; Y39-L67 WeakPolarHBondContact CB-O 3.02Å; Y39-L67 HydrophobicContact CD1-CD2 3.54Å; Y39-L67 HydrophobicContact CD1-CG 4.27Å; Y39-L67 HydrophobicContact CE1-CD2 4.32Å; Y39-L67 HydrophobicContact CG-CD2 3.97Å; Y39-L67 HydrophobicContact CG-CG 4.23Å; Y39-L67 PolarHBondContact N-O 3.36Å; Y39-K69 HydrophobicContact CD2-CB 4.11Å; Y39-K69 HydrophobicContact CD2-CD 4.06Å; Y39-K69 HydrophobicContact CE2-CD 4.33Å; Y39-Y76 HydrophobicContact CD2-CD1 4.39Å; Y39-Y76 AromaticContact CD2-CE1 3.82Å; Y39-Y76 HydrophobicContact CD2-CE1 3.82Å; Y39-Y76 AromaticContact CE2-CE1 3.85Å; Y39-Y76 HydrophobicContact CE2-CE1 3.85Å; Y39-L100 HydrophobicContact CD1-CD1 4.22Å; Y39-L100 HydrophobicContact CD2-CD1 4.43Å; Y39-L100 HydrophobicContact CE1-CD1 3.79Å; Y39-L100 HydrophobicContact CE1-CD2 4.46Å; Y39-L100 HydrophobicContact CE2-CD1 4.03Å; Y39-L100 HydrophobicContact CE2-CD2 4.33Å; Y39-L100 VanDerWaalsContact OH-CD2 3.25Å; Y39-L100 WeakPolarHBondContact OH-CD2 3.49Å
40	Y	92	Very high	91.4	Very high	62 Å²	62	43.9 Å²	43.9	24%	0.243	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	152.9	178.6	64.4	-92.7	0	0	0	111.6	K22 Y37 V38 D44 E144	K22-Y40 HydrophobicContact CB-CD1 4.38Å; K22-Y40 HydrophobicContact CD-CD2 3.93Å; K22-Y40 HydrophobicContact CD-CE2 4.36Å; K22-Y40 HydrophobicContact CD-CG 4.05Å; K22-Y40 HydrophobicContact CG-CD1 4.13Å; K22-Y40 HydrophobicContact CG-CD2 4.27Å; K22-Y40 HydrophobicContact CG-CE1 4.3Å; K22-Y40 HydrophobicContact CG-CE2 4.45Å; K22-Y40 HydrophobicContact CG-CG 4.12Å; Y37-Y40 HydrophobicContact CD2-CD1 4.46Å; Y37-Y40 HydrophobicContact CD2-CE1 4.23Å; Y37-Y40 HydrophobicContact CE2-CE1 4.22Å; V38-Y40 WeakPolarHBondContact O-CD1 3.37Å; Y40-D44 CarbonylContact C-O 3.53Å; Y40-D44 WeakPolarHBondContact CA-O 2.88Å; Y40-D44 WeakPolarHBondContact CB-O 3.12Å; Y40-E144 PolarHBondContact OH-OE1 3.22Å
41	E	89.9	Confident	91.5	Very high	78 Å²	78	38.4 Å²	38.4	36%	0.364	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	108.5	174.2	-72	178.7	142.2	0	0	110	Y39 D43 D44 Y46 K104	Y39-E41 HydrophobicContact CE1-CG 3.66Å; Y39-E41 WeakPolarHBondContact OH-CG 3.44Å; Y39-E41 PolarHBondContact OH-OE1 3.07Å; E41-D43 PolarHBondContact O-N 2.87Å; E41-D44 PolarHBondContact N-O 3.07Å; E41-D44 WeakPolarHBondContact O-CB 3.37Å; E41-D44 PolarHBondContact O-N 3.15Å; E41-Y46 HydrophobicContact CG-CE2 4.39Å; E41-Y46 PolarHBondContact OE2-OH 3.39Å; E41-K104 IonicContact OE1-NZ 3.94Å; E41-K104 PolarHBondContact OE1-NZ 3.16Å; E41-K104 IonicContact OE2-NZ 3.88Å; E41-K104 PolarHBondContact OE2-NZ 3.01Å
42	G	85.4	Confident	91.6	Very high	57 Å²	57	36 Å²	36	59%	0.588	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.3	-125.1	-168.3	0	0	0	0	0	109.3	K22	K22-G42 WeakPolarHBondContact CE-O 3.33Å; K22-G42 PolarHBondContact NZ-O 3.37Å
43	D	83.8	Confident	91.7	Very high	137 Å²	137	35 Å²	35	73%	0.733	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.8	2.5	174.8	-65.6	-35.3	0	0	0	114.4	K22 E41 I45	K22-D43 IonicContact NZ-OD1 3.42Å; K22-D43 PolarHBondContact NZ-OD1 3.35Å; E41-D43 PolarHBondContact O-N 2.87Å; D43-I45 PolarHBondContact O-N 2.96Å
44	D	88.6	Confident	91.9	Very high	39 Å²	39	35.5 Å²	35.5	21%	0.209	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	107.1	176	-161.7	-22.1	0	0	0	110.8	Y40 E41 R122	Y40-D44 CarbonylContact C-O 3.53Å; Y40-D44 WeakPolarHBondContact CA-O 2.88Å; Y40-D44 WeakPolarHBondContact CB-O 3.12Å; E41-D44 PolarHBondContact N-O 3.07Å; E41-D44 WeakPolarHBondContact O-CB 3.37Å; E41-D44 PolarHBondContact O-N 3.15Å; D44-R122 IonicContact OD1-CZ 3.4Å; D44-R122 IonicContact OD1-NH1 3.22Å; D44-R122 IonicContact OD1-NH2 2.72Å; D44-R122 PolarHBondContact OD1-NH2 2.78Å; D44-R122 IonicContact OD2-CZ 2.67Å; D44-R122 IonicContact OD2-NH1 2.64Å; D44-R122 PolarHBondContact OD2-NH1 2.87Å; D44-R122 IonicContact OD2-NH2 2.98Å; D44-R122 PolarHBondContact OD2-NH2 2.72Å
45	I	91.9	Very high	92	Very high	46 Å²	46	30.9 Å²	30.9	24%	0.236	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	123	179.8	-51.9	168.1	0	0	0	108.7	K22 A23 V38 D43 D47 W119	K22-I45 HydrophobicContact CB-CD1 3.54Å; K22-I45 HydrophobicContact CB-CG1 3.83Å; K22-I45 HydrophobicContact CD-CD1 4.14Å; K22-I45 HydrophobicContact CD-CG1 4Å; K22-I45 HydrophobicContact CG-CD1 4.46Å; A23-I45 HydrophobicContact CB-CG2 3.82Å; V38-I45 HydrophobicContact CG1-CG2 3.8Å; D43-I45 PolarHBondContact O-N 2.96Å; I45-D47 HydrophobicContact CG2-CB 4.02Å; I45-D47 PolarHBondContact O-N 3.44Å; I45-W119 WeakPolarHBondContact O-CZ2 3.23Å
46	Y	95.2	Very high	92	Very high	11 Å²	11	34.9 Å²	34.9	4%	0.043	18%	0.183	C	C	.	.			trans	-84.3	62.2	178.4	-69.6	-106.9	0	0	0	111	Y39 E41 L67 K104 F107 W119	Y39-Y46 AromaticContact CD1-CD2 3.68Å; Y39-Y46 HydrophobicContact CD1-CD2 3.68Å; Y39-Y46 AromaticContact CD1-CE2 3.98Å; Y39-Y46 HydrophobicContact CD1-CE2 3.98Å; Y39-Y46 HydrophobicContact CD1-CG 4.28Å; Y39-Y46 HydrophobicContact CE1-CD2 4.17Å; Y39-Y46 AromaticContact CE1-CE2 3.98Å; Y39-Y46 HydrophobicContact CE1-CE2 3.98Å; Y39-Y46 PolarHBondContact O-N 2.93Å; E41-Y46 HydrophobicContact CG-CE2 4.39Å; E41-Y46 PolarHBondContact OE2-OH 3.39Å; Y46-L67 HydrophobicContact CD1-CD2 3.99Å; Y46-L67 HydrophobicContact CG-CB 4.36Å; Y46-L67 HydrophobicContact CG-CD2 3.97Å; Y46-L67 PolarHBondContact O-N 3.22Å; Y46-K104 HydrophobicContact CE1-CD 4.11Å; Y46-K104 HydrophobicContact CE1-CG 3.96Å; Y46-K104 VanDerWaalsContact OH-CE 3.27Å; Y46-K104 WeakPolarHBondContact OH-CE 3.45Å; Y46-K104 PolarHBondContact OH-NZ 3.49Å; Y46-F107 HydrophobicContact CD1-CD1 4.07Å; Y46-F107 HydrophobicContact CD1-CE1 4.26Å; Y46-F107 HydrophobicContact CD1-CG 4.39Å; Y46-F107 VanDerWaalsContact O-CE2 3.25Å; Y46-F107 WeakPolarHBondContact O-CE2 3.27Å; Y46-W119 AromaticContact CD1-NE1 3.8Å; Y46-W119 AromaticContact CE1-CD1 3.98Å; Y46-W119 AromaticContact CE1-NE1 3.67Å
47	D	93.5	Very high	91.8	Very high	18 Å²	18	40 Å²	40	10%	0.096	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	136.2	173	172.1	79.2	0	0	0	109	A23 V38 I45 Q66 Y139	A23-D47 HydrophobicContact CB-CB 4.29Å; V38-D47 HydrophobicContact CG1-CB 3.87Å; I45-D47 HydrophobicContact CG2-CB 4.02Å; I45-D47 PolarHBondContact O-N 3.44Å; D47-Q66 VanDerWaalsContact OD1-CG 3.24Å; D47-Q66 WeakPolarHBondContact OD1-CG 3.38Å; D47-Q66 PolarHBondContact OD1-NE2 2.95Å; D47-Y139 WeakPolarHBondContact OD2-CE2 3.4Å; D47-Y139 PolarHBondContact OD2-OH 3.29Å
48	V	94.1	Very high	91.7	Very high	5 Å²	5	40.1 Å²	40.1	3%	0.03	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	131.6	173.9	63.7	0	0	0	0	111.8	L50 I64 I65 F107 F111 W119 M134	V48-L50 HydrophobicContact CG2-CD2 3.55Å; V48-L50 HydrophobicContact CG2-CG 4.03Å; V48-I64 WeakPolarHBondContact O-CA 3.42Å; V48-I65 HydrophobicContact CG1-CB 3.75Å; V48-I65 HydrophobicContact CG1-CD1 4.09Å; V48-I65 HydrophobicContact CG1-CG1 4.04Å; V48-I65 PolarHBondContact N-O 3.44Å; V48-I65 PolarHBondContact O-N 2.99Å; V48-F107 HydrophobicContact CB-CZ 4.49Å; V48-F107 HydrophobicContact CG1-CE2 4.44Å; V48-F107 HydrophobicContact CG1-CZ 3.85Å; V48-F111 HydrophobicContact CG1-CD2 4.16Å; V48-F111 HydrophobicContact CG2-CD2 4.34Å; V48-F111 HydrophobicContact CG2-CE2 4.08Å; V48-W119 HydrophobicContact CB-CH2 4.24Å; V48-W119 HydrophobicContact CB-CZ3 3.96Å; V48-W119 HydrophobicContact CG1-CZ3 4.26Å; V48-W119 HydrophobicContact CG2-CZ3 4.39Å; V48-M134 HydrophobicContact CG2-CG 3.95Å; V48-M134 HydrophobicContact CG2-SD 4.14Å
49	M	93.4	Very high	91.6	Very high	6 Å²	6	41.8 Å²	41.8	3%	0.03	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	123.1	165.2	-176.9	178.4	177.3	0	0	109.3	V135 M137 R189 A190 P265	M49-V135 HydrophobicContact CB-CB 4.37Å; M49-V135 HydrophobicContact CG-CB 4.2Å; M49-V135 PolarHBondContact O-N 3.15Å; M49-V135 HydrophobicContact SD-CB 4.36Å; M49-V135 HydrophobicContact SD-CG1 4.33Å; M49-M137 HydrophobicContact CB-CG 4.16Å; M49-M137 HydrophobicContact SD-SD 4.09Å; M49-R189 HydrophobicContact CE-CB 3.92Å; M49-R189 VanDerWaalsContact SD-O 3.35Å; M49-A190 HydrophobicContact CE-CB 4.05Å; M49-A190 HydrophobicContact SD-CB 3.97Å; M49-P265 HydrophobicContact CE-CB 4.4Å; M49-P265 HydrophobicContact CE-CG 3.95Å
50	L	94.9	Very high	91.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	141.6	177.7	-58.9	-179.4	0	0	0	109.9	V48 Y62 Y63 I65 F111 K114 T115 Y132 D133 M134	V48-L50 HydrophobicContact CG2-CD2 3.55Å; V48-L50 HydrophobicContact CG2-CG 4.03Å; L50-Y62 CarbonylContact O-C 3.53Å; L50-Y62 WeakPolarHBondContact O-CA 3.48Å; L50-Y62 WeakPolarHBondContact O-CB 3.41Å; L50-Y63 WeakPolarHBondContact CA-O 3.34Å; L50-Y63 WeakPolarHBondContact CB-O 3.49Å; L50-Y63 PolarHBondContact N-O 3.29Å; L50-Y63 PolarHBondContact O-N 3.31Å; L50-I65 HydrophobicContact CD1-CD1 4.37Å; L50-F111 HydrophobicContact CD2-CD2 4.46Å; L50-F111 HydrophobicContact CD2-CE2 4.15Å; L50-K114 HydrophobicContact CD1-CB 3.81Å; L50-K114 HydrophobicContact CD1-CG 4.48Å; L50-T115 HydrophobicContact CD1-CG2 3.83Å; L50-T115 HydrophobicContact CD2-CG2 3.78Å; L50-T115 HydrophobicContact CG-CG2 4.48Å; L50-Y132 HydrophobicContact CB-CD1 3.9Å; L50-Y132 HydrophobicContact CB-CG 4.16Å; L50-D133 CarbonylContact C-O 3.46Å; L50-D133 VanDerWaalsContact CA-O 3.23Å; L50-D133 WeakPolarHBondContact CA-O 2.98Å; L50-M134 HydrophobicContact CD2-CB 4.35Å
51	N	94.6	Very high	91.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	151.3	177.3	-169.3	42.6	0	0	0	111.8	K61 V85 D133 V135 Y261 T262	N51-K61 CarbonylContact C-O 3.4Å; N51-K61 WeakPolarHBondContact CA-O 3.35Å; N51-K61 PolarHBondContact OD1-O 3.38Å; N51-V85 WeakPolarHBondContact OD1-CG2 3.34Å; N51-D133 PolarHBondContact N-O 2.91Å; N51-D133 PolarHBondContact O-N 3.2Å; N51-V135 HydrophobicContact CB-CG2 3.53Å; N51-Y261 PolarHBondContact ND2-O 2.86Å; N51-T262 WeakPolarHBondContact CB-O 3.31Å; N51-T262 WeakPolarHBondContact ND2-CA 3.38Å; N51-T262 PolarHBondContact ND2-O 3.41Å
52	Q	94.2	Very high	91.8	Very high	22 Å²	22	37.8 Å²	37.8	10%	0.103	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	121	179.1	-178.4	-176.7	68.7	0	0	110.4	N60 K61 G130 K131 Y132	Q52-N60 WeakPolarHBondContact O-CA 3.46Å; Q52-K61 PolarHBondContact N-O 3.14Å; Q52-K61 PolarHBondContact O-N 3.43Å; Q52-G130 PolarHBondContact NE2-O 3.5Å; Q52-K131 PolarHBondContact NE2-O 3.32Å; Q52-Y132 HydrophobicContact CB-CD1 3.76Å; Q52-Y132 HydrophobicContact CB-CE1 4.03Å; Q52-Y132 HydrophobicContact CB-CG 4.12Å
53	T	93.4	Very high	92.3	Very high	7 Å²	7	35.4 Å²	35.4	4%	0.043	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	130.9	169.4	-51	0	0	0	0	110.6	N59 N60 Y261 T262 P273	T53-N59 CarbonylContact C-O 3.59Å; T53-N59 WeakPolarHBondContact CA-O 3.12Å; T53-N60 PolarHBondContact OG1-OD1 3.02Å; T53-Y261 HydrophobicContact CG2-CD2 4.19Å; T53-Y261 HydrophobicContact CG2-CG 4.4Å; T53-Y261 VanDerWaalsContact OG1-C 3.29Å; T53-Y261 WeakPolarHBondContact OG1-CB 3.41Å; T53-Y261 PolarHBondContact OG1-O 2.87Å; T53-T262 PolarHBondContact N-OG1 2.84Å; T53-T262 PolarHBondContact OG1-N 2.67Å; T53-P273 HydrophobicContact CG2-CB 4.22Å; T53-P273 HydrophobicContact CG2-CG 3.91Å
54	N	92.5	Very high	92.8	Very high	34 Å²	34	29.4 Å²	29.4	18%	0.182	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	101.8	165.6	171.8	-13.2	0	0	0	107.8	Q56 N57 N58 N59 N258	N54-Q56 VanDerWaalsContact C-N 3.3Å; N54-Q56 PolarHBondContact O-N 3.09Å; N54-Q56 WeakPolarHBondContact OD1-CB 3.06Å; N54-Q56 PolarHBondContact OD1-N 3.42Å; N54-N57 PolarHBondContact ND2-ND2 3.11Å; N54-N57 PolarHBondContact O-N 3.13Å; N54-N57 PolarHBondContact OD1-N 3.2Å; N54-N58 PolarHBondContact O-N 2.89Å; N54-N59 CarbonylContact C-O 3.34Å; N54-N59 HydrophobicContact CB-CB 4.04Å; N54-N59 PolarHBondContact N-O 2.78Å; N54-N59 PolarHBondContact O-N 3.31Å; N54-N258 WeakPolarHBondContact CA-OD1 3.43Å
55	V	90.7	Very high	93.2	Very high	12 Å²	12	27.6 Å²	27.6	7%	0.073	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-55.3	-42.4	179.8	171.2	0	0	0	0	111.8	N57 N58 L254 N258 I272 P273 V275	V55-N57 PolarHBondContact O-N 3.3Å; V55-N58 PolarHBondContact O-N 2.64Å; V55-N58 VanDerWaalsContact O-N 3.14Å; V55-L254 HydrophobicContact CB-CD1 3.73Å; V55-L254 HydrophobicContact CG1-CD1 3.67Å; V55-L254 HydrophobicContact CG2-CD1 4.25Å; V55-N258 WeakPolarHBondContact CB-OD1 3.37Å; V55-N258 WeakPolarHBondContact CG2-OD1 3.24Å; V55-N258 PolarHBondContact N-OD1 3.29Å; V55-I272 HydrophobicContact CG1-CG2 3.91Å; V55-I272 WeakPolarHBondContact O-CG2 3.32Å; V55-P273 WeakPolarHBondContact CG1-O 3.4Å; V55-P273 HydrophobicContact CG2-CB 3.95Å; V55-V275 HydrophobicContact CG1-CG2 4.03Å
56	Q	90.5	Very high	93.5	Very high	130 Å²	130	25.7 Å²	25.7	61%	0.607	13%	0.128	S	C	*	.	G	3₁₀ helix	trans	-59.1	-35.5	-175.5	-62	173.9	-58	0	0	112.4	N54 L254	N54-Q56 VanDerWaalsContact C-N 3.3Å; N54-Q56 PolarHBondContact O-N 3.09Å; N54-Q56 WeakPolarHBondContact OD1-CB 3.06Å; N54-Q56 PolarHBondContact OD1-N 3.42Å; Q56-L254 HydrophobicContact CG-CD2 3.44Å; Q56-L254 VanDerWaalsContact CG-CD2 3.44Å; Q56-L254 HydrophobicContact CG-CG 4.34Å
57	N	89.3	Confident	93.6	Very high	106 Å²	106	25.1 Å²	25.1	57%	0.567	13%	0.126	S	C	*	.	G	3₁₀ helix	trans	-105.6	14.7	-176.5	-67.3	-23.8	0	0	0	112.9	N54 V55 N59	N54-N57 PolarHBondContact ND2-ND2 3.11Å; N54-N57 PolarHBondContact O-N 3.13Å; N54-N57 PolarHBondContact OD1-N 3.2Å; V55-N57 PolarHBondContact O-N 3.3Å; N57-N59 WeakPolarHBondContact CB-ND2 3.39Å; N57-N59 PolarHBondContact O-N 2.95Å; N57-N59 VanDerWaalsContact O-N 3.07Å
58	N	91	Very high	93.7	Very high	50 Å²	50	24.3 Å²	24.3	27%	0.267	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	33.1	-171.8	-165.9	5	0	0	0	113.3	N54 V55 R84 M270 R271 I272	N54-N58 PolarHBondContact O-N 2.89Å; V55-N58 PolarHBondContact O-N 2.64Å; V55-N58 VanDerWaalsContact O-N 3.14Å; N58-R84 PolarHBondContact O-NH1 3.07Å; N58-R84 PolarHBondContact OD1-NH1 3.09Å; N58-R84 VanDerWaalsContact OD1-NH1 3.16Å; N58-R84 PolarHBondContact OD1-NH2 3.4Å; N58-M270 PolarHBondContact ND2-O 2.81Å; N58-R271 PolarHBondContact OD1-O 3.39Å; N58-I272 HydrophobicContact CB-CG1 3.74Å; N58-I272 VanDerWaalsContact OD1-CA 3.32Å; N58-I272 WeakPolarHBondContact OD1-CA 3.3Å; N58-I272 PolarHBondContact OD1-N 2.98Å
59	N	90.5	Very high	93.8	Very high	34 Å²	34	26.5 Å²	26.5	18%	0.182	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	120.5	178.4	-73.6	-36.4	0	0	0	108.4	T53 N54 N57 K61	T53-N59 CarbonylContact C-O 3.59Å; T53-N59 WeakPolarHBondContact CA-O 3.12Å; N54-N59 CarbonylContact C-O 3.34Å; N54-N59 HydrophobicContact CB-CB 4.04Å; N54-N59 PolarHBondContact N-O 2.78Å; N54-N59 PolarHBondContact O-N 3.31Å; N57-N59 WeakPolarHBondContact CB-ND2 3.39Å; N57-N59 PolarHBondContact O-N 2.95Å; N57-N59 VanDerWaalsContact O-N 3.07Å; N59-K61 WeakPolarHBondContact OD1-CE 3.32Å; N59-K61 PolarHBondContact OD1-NZ 2.88Å
60	N	93.1	Very high	93.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	84.7	169.1	-169.2	32.5	0	0	0	106.9	Q52 T53 R84 V85 H266 F268 P273	Q52-N60 WeakPolarHBondContact O-CA 3.46Å; T53-N60 PolarHBondContact OG1-OD1 3.02Å; N60-R84 WeakPolarHBondContact O-CA 3.16Å; N60-V85 WeakPolarHBondContact ND2-CB 3.44Å; N60-V85 PolarHBondContact O-N 3.15Å; N60-H266 PolarHBondContact ND2-O 2.8Å; N60-F268 WeakPolarHBondContact ND2-CD2 3.32Å; N60-P273 HydrophobicContact CB-CG 4.05Å
61	K	93.8	Very high	93.6	Very high	79 Å²	79	31.1 Å²	31.1	34%	0.343	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	143.2	-161.6	-64.6	176.7	-179.7	168.6	0	110.6	N51 Q52 N59 G83 Y132	N51-K61 CarbonylContact C-O 3.4Å; N51-K61 WeakPolarHBondContact CA-O 3.35Å; N51-K61 PolarHBondContact OD1-O 3.38Å; Q52-K61 PolarHBondContact N-O 3.14Å; Q52-K61 PolarHBondContact O-N 3.43Å; N59-K61 WeakPolarHBondContact OD1-CE 3.32Å; N59-K61 PolarHBondContact OD1-NZ 2.88Å; K61-G83 WeakPolarHBondContact CA-O 3.21Å; K61-Y132 HydrophobicContact CB-CE1 4.08Å
62	Y	94.1	Very high	93.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	163.6	171.5	77.3	-69.8	0	0	0	110.2	L50 I64 R81 W82 G83 S88 R189	L50-Y62 CarbonylContact O-C 3.53Å; L50-Y62 WeakPolarHBondContact O-CA 3.48Å; L50-Y62 WeakPolarHBondContact O-CB 3.41Å; Y62-I64 HydrophobicContact CD2-CD1 4.09Å; Y62-I64 HydrophobicContact CD2-CG1 4.03Å; Y62-I64 HydrophobicContact CE2-CD1 3.99Å; Y62-I64 HydrophobicContact CE2-CG1 4.25Å; Y62-R81 HydrophobicContact CE2-CG 4.16Å; Y62-R81 WeakPolarHBondContact CE2-O 3.48Å; Y62-R81 WeakPolarHBondContact OH-CG 3.14Å; Y62-W82 VanDerWaalsContact CZ-C 3.45Å; Y62-W82 WeakPolarHBondContact O-CA 3.47Å; Y62-G83 WeakPolarHBondContact CD1-O 3.47Å; Y62-G83 VanDerWaalsContact CE1-CA 3.44Å; Y62-G83 WeakPolarHBondContact CE1-O 3.45Å; Y62-G83 PolarHBondContact N-O 2.94Å; Y62-G83 PolarHBondContact O-N 3.34Å; Y62-S88 PolarHBondContact OH-O 2.96Å; Y62-R189 VanDerWaalsContact CD2-CD 3.5Å; Y62-R189 VanDerWaalsContact CE1-NH1 3.34Å; Y62-R189 VanDerWaalsContact CE2-CD 3.48Å; Y62-R189 PolarHBondContact OH-NE 3Å; Y62-R189 PolarHBondContact OH-NH2 2.96Å
63	Y	95.3	Very high	93	Very high	8 Å²	8	39.3 Å²	39.3	3%	0.031	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	127.2	171.2	-147.6	-73.8	0	0	0	108.5	L50 I65 F80 R81 W82 K110 K114	L50-Y63 WeakPolarHBondContact CA-O 3.34Å; L50-Y63 WeakPolarHBondContact CB-O 3.49Å; L50-Y63 PolarHBondContact N-O 3.29Å; L50-Y63 PolarHBondContact O-N 3.31Å; Y63-I65 HydrophobicContact CD1-CD1 4.19Å; Y63-I65 HydrophobicContact CD1-CG1 3.66Å; Y63-I65 HydrophobicContact CE1-CD1 4.38Å; Y63-I65 HydrophobicContact CE1-CG1 3.89Å; Y63-F80 HydrophobicContact CE1-CB 4.18Å; Y63-F80 HydrophobicContact CE1-CD1 4.01Å; Y63-R81 CarbonylContact C-O 3.55Å; Y63-R81 WeakPolarHBondContact CA-O 3.49Å; Y63-W82 HydrophobicContact CD1-CB 4.5Å; Y63-W82 HydrophobicContact CD2-CB 3.26Å; Y63-W82 AromaticContact CD2-CG 3.98Å; Y63-W82 HydrophobicContact CD2-CG 3.98Å; Y63-W82 HydrophobicContact CE1-CE3 4.42Å; Y63-W82 HydrophobicContact CE2-CB 3.31Å; Y63-W82 AromaticContact CE2-CD2 3.81Å; Y63-W82 HydrophobicContact CE2-CD2 3.81Å; Y63-W82 HydrophobicContact CE2-CE3 4.01Å; Y63-W82 AromaticContact CE2-CG 3.52Å; Y63-W82 HydrophobicContact CE2-CG 3.52Å; Y63-W82 HydrophobicContact CG-CB 3.87Å; Y63-W82 AromaticContact CZ-CD2 3.97Å; Y63-W82 AromaticContact CZ-CE3 3.67Å; Y63-K110 HydrophobicContact CE1-CG 4.22Å; Y63-K110 VanDerWaalsContact CZ-CE 3.41Å; Y63-K110 WeakPolarHBondContact OH-CE 3.49Å; Y63-K110 PolarHBondContact OH-NZ 2.97Å; Y63-K114 HydrophobicContact CD2-CD 4.45Å; Y63-K114 HydrophobicContact CD2-CG 4.44Å; Y63-K114 HydrophobicContact CG-CG 4.48Å
64	I	94.8	Very high	92.8	Very high	11 Å²	11	43.2 Å²	43.2	6%	0.056	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	136.4	173.7	-66.5	164.3	0	0	0	107.3	V48 Y62 Q66 F80 R81	V48-I64 WeakPolarHBondContact O-CA 3.42Å; Y62-I64 HydrophobicContact CD2-CD1 4.09Å; Y62-I64 HydrophobicContact CD2-CG1 4.03Å; Y62-I64 HydrophobicContact CE2-CD1 3.99Å; Y62-I64 HydrophobicContact CE2-CG1 4.25Å; I64-Q66 HydrophobicContact CG2-CG 4Å; I64-F80 WeakPolarHBondContact O-CA 3.41Å; I64-R81 HydrophobicContact CB-CB 4.43Å; I64-R81 PolarHBondContact N-O 2.85Å; I64-R81 PolarHBondContact O-N 2.92Å
65	I	97.1	Very high	93	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	127.9	173.4	-42.9	174.8	0	0	0	107.5	V48 L50 Y63 V78 W79 F80 F107 K110 F111	V48-I65 HydrophobicContact CG1-CB 3.75Å; V48-I65 HydrophobicContact CG1-CD1 4.09Å; V48-I65 HydrophobicContact CG1-CG1 4.04Å; V48-I65 PolarHBondContact N-O 3.44Å; V48-I65 PolarHBondContact O-N 2.99Å; L50-I65 HydrophobicContact CD1-CD1 4.37Å; Y63-I65 HydrophobicContact CD1-CD1 4.19Å; Y63-I65 HydrophobicContact CD1-CG1 3.66Å; Y63-I65 HydrophobicContact CE1-CD1 4.38Å; Y63-I65 HydrophobicContact CE1-CG1 3.89Å; I65-V78 HydrophobicContact CG2-CG1 4.03Å; I65-W79 WeakPolarHBondContact CA-O 3.48Å; I65-F80 HydrophobicContact CB-CD1 4.45Å; I65-F80 HydrophobicContact CG1-CD1 4.26Å; I65-F80 HydrophobicContact CG2-CD1 3.78Å; I65-F80 HydrophobicContact CG2-CE1 3.61Å; I65-F107 HydrophobicContact CB-CD2 4.23Å; I65-F107 HydrophobicContact CB-CE2 3.9Å; I65-F107 HydrophobicContact CB-CZ 4.45Å; I65-F107 HydrophobicContact CG2-CD2 3.37Å; I65-F107 HydrophobicContact CG2-CE2 3.57Å; I65-F107 HydrophobicContact CG2-CG 4.04Å; I65-F107 HydrophobicContact CG2-CZ 4.38Å; I65-F107 WeakPolarHBondContact O-CE2 3.25Å; I65-K110 HydrophobicContact CD1-CB 4.04Å; I65-K110 HydrophobicContact CD1-CG 3.77Å; I65-K110 HydrophobicContact CG1-CG 4.48Å; I65-F111 HydrophobicContact CD1-CB 4.43Å
66	Q	96.6	Very high	93.3	Very high	6 Å²	6	44.5 Å²	44.5	3%	0.028	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	130.7	175.5	-58.4	-170.5	-46.3	0	0	110.2	P24 D47 I64 L68 V78 W79	P24-Q66 PolarHBondContact O-NE2 3.3Å; D47-Q66 VanDerWaalsContact OD1-CG 3.24Å; D47-Q66 WeakPolarHBondContact OD1-CG 3.38Å; D47-Q66 PolarHBondContact OD1-NE2 2.95Å; I64-Q66 HydrophobicContact CG2-CG 4Å; Q66-L68 HydrophobicContact CB-CD2 3.82Å; Q66-L68 HydrophobicContact CB-CG 4.4Å; Q66-V78 CarbonylContact O-C 3.45Å; Q66-V78 WeakPolarHBondContact O-CA 3.39Å; Q66-W79 HydrophobicContact CB-CB 4.32Å; Q66-W79 PolarHBondContact N-O 3.16Å; Q66-W79 PolarHBondContact O-N 3.35Å
67	L	97.8	Very high	93.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	125.5	163.7	176.9	61.5	0	0	0	108	V38 Y39 Y46 V78 L100 A103 K104 F107	V38-L67 CarbonylContact C-O 3.38Å; V38-L67 WeakPolarHBondContact CA-O 3.41Å; Y39-L67 WeakPolarHBondContact CB-O 3.02Å; Y39-L67 HydrophobicContact CD1-CD2 3.54Å; Y39-L67 HydrophobicContact CD1-CG 4.27Å; Y39-L67 HydrophobicContact CE1-CD2 4.32Å; Y39-L67 HydrophobicContact CG-CD2 3.97Å; Y39-L67 HydrophobicContact CG-CG 4.23Å; Y39-L67 PolarHBondContact N-O 3.36Å; Y46-L67 HydrophobicContact CD1-CD2 3.99Å; Y46-L67 HydrophobicContact CG-CB 4.36Å; Y46-L67 HydrophobicContact CG-CD2 3.97Å; Y46-L67 PolarHBondContact O-N 3.22Å; L67-V78 HydrophobicContact CD1-CG2 3.81Å; L67-L100 HydrophobicContact CD2-CD1 4.19Å; L67-A103 HydrophobicContact CD1-CB 3.4Å; L67-K104 HydrophobicContact CD2-CG 3.84Å; L67-F107 HydrophobicContact CB-CD2 4.02Å
68	L	97	Very high	94.1	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	141.8	-174.3	-53.8	-178.1	0	0	0	110.2	V25 K32 A36 Y37 V38 Q66 Y76 S77 W79 L93	V25-L68 HydrophobicContact CB-CD2 4.49Å; V25-L68 HydrophobicContact CG1-CD1 4.01Å; V25-L68 HydrophobicContact CG1-CD2 4.08Å; V25-L68 HydrophobicContact CG2-CD2 3.98Å; K32-L68 HydrophobicContact CB-CD1 3.81Å; K32-L68 HydrophobicContact CG-CD1 4.1Å; A36-L68 HydrophobicContact CB-CB 4.36Å; Y37-L68 CarbonylContact O-C 3.56Å; Y37-L68 WeakPolarHBondContact O-CA 3.24Å; V38-L68 HydrophobicContact CG2-CD2 4.01Å; Q66-L68 HydrophobicContact CB-CD2 3.82Å; Q66-L68 HydrophobicContact CB-CG 4.4Å; L68-Y76 WeakPolarHBondContact O-CA 3.31Å; L68-S77 PolarHBondContact N-O 3.46Å; L68-S77 PolarHBondContact O-N 2.97Å; L68-W79 HydrophobicContact CD1-CB 3.95Å; L68-W79 HydrophobicContact CG-CB 4.42Å; L68-L93 HydrophobicContact CD1-CD1 4.47Å
69	K	95.4	Very high	94.4	Very high	50 Å²	50	31.4 Å²	31.4	22%	0.217	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	126.7	170.8	177.9	174.5	166.6	-163.4	0	109.6	A36 Y37 Y39 N75 Y76	A36-K69 CarbonylContact C-O 3.55Å; A36-K69 VanDerWaalsContact CA-O 3.25Å; A36-K69 WeakPolarHBondContact CA-O 3.45Å; A36-K69 VanDerWaalsContact CB-O 3.32Å; A36-K69 WeakPolarHBondContact CB-O 3.4Å; Y37-K69 VanDerWaalsContact CD1-O 3.3Å; Y37-K69 WeakPolarHBondContact CD1-O 3.31Å; Y37-K69 HydrophobicContact CE1-CB 4.24Å; Y37-K69 HydrophobicContact CE1-CD 4.31Å; Y37-K69 HydrophobicContact CE1-CG 4.12Å; Y37-K69 HydrophobicContact CE2-CB 4.18Å; Y37-K69 HydrophobicContact CE2-CD 4.27Å; Y37-K69 PolarHBondContact N-O 2.88Å; Y37-K69 PolarHBondContact O-N 2.92Å; Y37-K69 WeakPolarHBondContact OH-CD 3.48Å; Y37-K69 WeakPolarHBondContact OH-CE 3.41Å; Y37-K69 PolarHBondContact OH-NZ 3.14Å; Y39-K69 HydrophobicContact CD2-CB 4.11Å; Y39-K69 HydrophobicContact CD2-CD 4.06Å; Y39-K69 HydrophobicContact CE2-CD 4.33Å; K69-N75 WeakPolarHBondContact CA-O 3.45Å; K69-Y76 HydrophobicContact CB-CD1 4.06Å; K69-Y76 HydrophobicContact CB-CE1 3.94Å; K69-Y76 HydrophobicContact CD-CE1 3.61Å; K69-Y76 HydrophobicContact CG-CD1 4.26Å; K69-Y76 HydrophobicContact CG-CE1 3.79Å
70	D	94.4	Very high	94.8	Very high	7 Å²	7	30 Å²	30	4%	0.037	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	146.1	174	-71	-72.7	0	0	0	111.1	K32 I73 N75	K32-D70 WeakPolarHBondContact CD-OD1 3.35Å; K32-D70 IonicContact NZ-OD1 3.66Å; K32-D70 PolarHBondContact NZ-OD1 2.88Å; K32-D70 IonicContact NZ-OD2 2.93Å; K32-D70 PolarHBondContact NZ-OD2 2.95Å; D70-I73 HydrophobicContact CB-CD1 4.43Å; D70-I73 HydrophobicContact CB-CG1 3.61Å; D70-I73 WeakPolarHBondContact CB-O 3.13Å; D70-I73 VanDerWaalsContact O-O 3.12Å; D70-N75 HydrophobicContact CB-CB 4.3Å; D70-N75 PolarHBondContact N-O 3.38Å; D70-N75 WeakPolarHBondContact OD2-CB 3.14Å
71	E	88.6	Confident	94.9	Very high	97 Å²	97	30.5 Å²	30.5	45%	0.453	16%	0.158	S	C	.	.	S	Bend	trans	-74.5	-46.9	-178.3	-78.4	161.2	-129.2	0	0	113.1	K20 S35 Y37	K20-E71 WeakPolarHBondContact CD-OE1 3.46Å; K20-E71 WeakPolarHBondContact CE-OE1 3.39Å; K20-E71 VanDerWaalsContact NZ-CD 3.3Å; K20-E71 IonicContact NZ-OE1 3.02Å; K20-E71 PolarHBondContact NZ-OE1 3.48Å; K20-E71 IonicContact NZ-OE2 3.33Å; K20-E71 PolarHBondContact NZ-OE2 3.22Å; K20-E71 VanDerWaalsContact NZ-OE2 3.16Å; S35-E71 PolarHBondContact O-N 3.41Å; Y37-E71 HydrophobicContact CD1-CG 4.03Å; Y37-E71 HydrophobicContact CE1-CG 4.43Å
72	S	87.8	Confident	94.9	Very high	108 Å²	108	29.9 Å²	29.9	76%	0.755	15%	0.153	S	C	*	.	S	Bend	trans	-87.9	-19.7	-169.8	55.2	0	0	0	0	113.3
73	I	88.9	Confident	94.9	Very high	85 Å²	85	30.9 Å²	30.9	44%	0.436	16%	0.164	S	C	.	.	S	Bend	trans	-136.8	144.5	-173.8	57.1	-178.7	0	0	0	109.1	D70 N75	D70-I73 HydrophobicContact CB-CD1 4.43Å; D70-I73 HydrophobicContact CB-CG1 3.61Å; D70-I73 WeakPolarHBondContact CB-O 3.13Å; D70-I73 VanDerWaalsContact O-O 3.12Å; I73-N75 HydrophobicContact CD1-CB 4.19Å; I73-N75 WeakPolarHBondContact CD1-ND2 3.5Å; I73-N75 HydrophobicContact CG1-CB 4.06Å; I73-N75 PolarHBondContact O-N 2.91Å
74	N	90.3	Very high	94.7	Very high	90 Å²	90	32.5 Å²	32.5	48%	0.481	17%	0.17	S	C	.	.			trans	-76.8	64.4	178.2	-169.7	40.7	0	0	0	110.5	Y76 C98	N74-Y76 VanDerWaalsContact OD1-CE2 3.28Å; N74-Y76 WeakPolarHBondContact OD1-CE2 3.42Å; N74-Y76 PolarHBondContact OD1-OH 3.43Å; N74-C98 WeakPolarHBondContact O-CA 3.35Å; N74-C98 WeakPolarHBondContact O-CB 3.14Å
75	N	95.9	Very high	94.5	Very high	57 Å²	57	32 Å²	32	31%	0.305	17%	0.168	S	C	.	.			trans	-116.4	138.5	177.7	-81.9	-11.3	0	0	0	111	K69 D70 I73 G97	K69-N75 WeakPolarHBondContact CA-O 3.45Å; D70-N75 HydrophobicContact CB-CB 4.3Å; D70-N75 PolarHBondContact N-O 3.38Å; D70-N75 WeakPolarHBondContact OD2-CB 3.14Å; I73-N75 HydrophobicContact CD1-CB 4.19Å; I73-N75 WeakPolarHBondContact CD1-ND2 3.5Å; I73-N75 HydrophobicContact CG1-CB 4.06Å; I73-N75 PolarHBondContact O-N 2.91Å; N75-G97 CarbonylContact C-O 3.56Å; N75-G97 VanDerWaalsContact CA-O 3.3Å; N75-G97 WeakPolarHBondContact CA-O 3.39Å; N75-G97 WeakPolarHBondContact OD1-CA 3.46Å
76	Y	97.7	Very high	94	Very high	15 Å²	15	32.2 Å²	32.2	6%	0.059	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	141.6	179.8	-59.9	-86.8	0	0	0	110.1	Y39 L68 K69 N74 F96 G97 L100	Y39-Y76 HydrophobicContact CD2-CD1 4.39Å; Y39-Y76 AromaticContact CD2-CE1 3.82Å; Y39-Y76 HydrophobicContact CD2-CE1 3.82Å; Y39-Y76 AromaticContact CE2-CE1 3.85Å; Y39-Y76 HydrophobicContact CE2-CE1 3.85Å; L68-Y76 WeakPolarHBondContact O-CA 3.31Å; K69-Y76 HydrophobicContact CB-CD1 4.06Å; K69-Y76 HydrophobicContact CB-CE1 3.94Å; K69-Y76 HydrophobicContact CD-CE1 3.61Å; K69-Y76 HydrophobicContact CG-CD1 4.26Å; K69-Y76 HydrophobicContact CG-CE1 3.79Å; N74-Y76 VanDerWaalsContact OD1-CE2 3.28Å; N74-Y76 WeakPolarHBondContact OD1-CE2 3.42Å; N74-Y76 PolarHBondContact OD1-OH 3.43Å; Y76-F96 PolarHBondContact O-N 2.92Å; Y76-G97 WeakPolarHBondContact CD2-O 3.2Å; Y76-G97 PolarHBondContact N-O 3.46Å; Y76-L100 HydrophobicContact CD1-CB 4.37Å; Y76-L100 HydrophobicContact CD1-CD1 3.66Å; Y76-L100 HydrophobicContact CD2-CB 4.03Å; Y76-L100 HydrophobicContact CE1-CB 4.16Å; Y76-L100 HydrophobicContact CE1-CD1 3.58Å; Y76-L100 HydrophobicContact CE1-CG 4.28Å; Y76-L100 HydrophobicContact CE2-CB 3.86Å; Y76-L100 HydrophobicContact CG-CB 4.31Å; Y76-L100 HydrophobicContact CG-CD1 4.3Å
77	S	97.8	Very high	93.5	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.014	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	148.9	175.8	-54.5	0	0	0	0	110.1	L68 E94	L68-S77 PolarHBondContact N-O 3.46Å; L68-S77 PolarHBondContact O-N 2.97Å; S77-E94 CarbonylContact C-O 3.6Å; S77-E94 WeakPolarHBondContact CA-O 3.42Å; S77-E94 WeakPolarHBondContact CB-O 3.15Å
78	V	98.3	Very high	92.9	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	122.5	171.7	-172.3	0	0	0	0	109	I65 Q66 L67 F80 E94 F96 A103 C106 F107	I65-V78 HydrophobicContact CG2-CG1 4.03Å; Q66-V78 CarbonylContact O-C 3.45Å; Q66-V78 WeakPolarHBondContact O-CA 3.39Å; L67-V78 HydrophobicContact CD1-CG2 3.81Å; V78-F80 HydrophobicContact CB-CE2 4.06Å; V78-F80 HydrophobicContact CB-CZ 3.95Å; V78-F80 HydrophobicContact CG1-CD1 4.32Å; V78-F80 HydrophobicContact CG1-CD2 4.47Å; V78-F80 HydrophobicContact CG1-CE1 3.58Å; V78-F80 HydrophobicContact CG1-CE2 3.76Å; V78-F80 HydrophobicContact CG1-CZ 3.27Å; V78-E94 PolarHBondContact N-O 3.41Å; V78-E94 PolarHBondContact O-N 3.44Å; V78-F96 HydrophobicContact CB-CE2 4.07Å; V78-F96 HydrophobicContact CG2-CD2 4.16Å; V78-F96 HydrophobicContact CG2-CE2 3.64Å; V78-F96 HydrophobicContact CG2-CZ 4.48Å; V78-A103 HydrophobicContact CG2-CB 4.13Å; V78-A103 VanDerWaalsContact CG2-O 3.24Å; V78-A103 WeakPolarHBondContact CG2-O 3.43Å; V78-C106 HydrophobicContact CG2-CB 4.23Å; V78-F107 HydrophobicContact CG1-CB 4.32Å; V78-F107 HydrophobicContact CG1-CD2 4.44Å; V78-F107 HydrophobicContact CG2-CB 4.5Å
79	W	97.8	Very high	92.6	Very high	9 Å²	9	41 Å²	41	3%	0.034	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	133.6	176.2	174.7	-111.3	0	0	0	110.7	D26 E28 C29 I65 Q66 L68 R81 N91 L93	D26-W79 PolarHBondContact OD2-NE1 2.91Å; E28-W79 HydrophobicContact CB-CZ2 4.14Å; E28-W79 WeakPolarHBondContact O-CH2 3.08Å; C29-W79 HydrophobicContact CB-CD2 3.73Å; C29-W79 HydrophobicContact CB-CE3 4.02Å; C29-W79 HydrophobicContact CB-CG 4.16Å; C29-W79 HydrophobicContact CB-CH2 4.04Å; C29-W79 HydrophobicContact CB-CZ2 3.83Å; C29-W79 HydrophobicContact CB-CZ3 4.16Å; C29-W79 VanDerWaalsContact SG-CD2 3.58Å; I65-W79 WeakPolarHBondContact CA-O 3.48Å; Q66-W79 HydrophobicContact CB-CB 4.32Å; Q66-W79 PolarHBondContact N-O 3.16Å; Q66-W79 PolarHBondContact O-N 3.35Å; L68-W79 HydrophobicContact CD1-CB 3.95Å; L68-W79 HydrophobicContact CG-CB 4.42Å; W79-R81 HydrophobicContact CZ2-CB 4.35Å; W79-N91 HydrophobicContact CH2-CB 3.33Å; W79-N91 HydrophobicContact CZ2-CB 3.53Å; W79-N91 HydrophobicContact CZ3-CB 3.94Å; W79-L93 HydrophobicContact CB-CD1 4.23Å; W79-L93 HydrophobicContact CE3-CB 3.83Å; W79-L93 HydrophobicContact CE3-CD1 4.03Å; W79-L93 HydrophobicContact CE3-CG 4.49Å; W79-L93 HydrophobicContact CZ3-CB 4.03Å
80	F	97.4	Very high	92.6	Very high	5 Å²	5	44.5 Å²	44.5	2%	0.022	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	134.9	174.5	-52.9	-77.1	0	0	0	109.4	Y63 I64 I65 V78 W82 N91 K92 E94 K110	Y63-F80 HydrophobicContact CE1-CB 4.18Å; Y63-F80 HydrophobicContact CE1-CD1 4.01Å; I64-F80 WeakPolarHBondContact O-CA 3.41Å; I65-F80 HydrophobicContact CB-CD1 4.45Å; I65-F80 HydrophobicContact CG1-CD1 4.26Å; I65-F80 HydrophobicContact CG2-CD1 3.78Å; I65-F80 HydrophobicContact CG2-CE1 3.61Å; V78-F80 HydrophobicContact CB-CE2 4.06Å; V78-F80 HydrophobicContact CB-CZ 3.95Å; V78-F80 HydrophobicContact CG1-CD1 4.32Å; V78-F80 HydrophobicContact CG1-CD2 4.47Å; V78-F80 HydrophobicContact CG1-CE1 3.58Å; V78-F80 HydrophobicContact CG1-CE2 3.76Å; V78-F80 HydrophobicContact CG1-CZ 3.27Å; F80-W82 HydrophobicContact CB-CE3 4.02Å; F80-W82 HydrophobicContact CB-CZ3 3.78Å; F80-N91 CarbonylContact O-C 3.52Å; F80-N91 WeakPolarHBondContact O-CA 3.22Å; F80-N91 WeakPolarHBondContact O-CB 3.44Å; F80-K92 HydrophobicContact CB-CB 4.37Å; F80-K92 HydrophobicContact CD2-CB 4.25Å; F80-K92 PolarHBondContact N-O 3.34Å; F80-K92 PolarHBondContact O-N 3.24Å; F80-E94 HydrophobicContact CE2-CB 4.4Å; F80-E94 HydrophobicContact CE2-CG 4Å; F80-K110 HydrophobicContact CD1-CG 3.89Å; F80-K110 HydrophobicContact CE1-CB 3.67Å; F80-K110 HydrophobicContact CE1-CD 4.34Å; F80-K110 HydrophobicContact CE1-CG 3.53Å; F80-K110 HydrophobicContact CZ-CB 4.38Å; F80-K110 HydrophobicContact CZ-CG 4.46Å
81	R	95.2	Very high	92.7	Very high	11 Å²	11	48.3 Å²	48.3	4%	0.042	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	130.8	169.2	-173.6	171.1	60.4	134.8	-8.7	110.7	D26 Y62 Y63 I64 W79 Q90 N91	D26-R81 IonicContact OD1-CZ 3.07Å; D26-R81 IonicContact OD1-NE 3.2Å; D26-R81 PolarHBondContact OD1-NE 3.05Å; D26-R81 IonicContact OD1-NH2 2.65Å; D26-R81 PolarHBondContact OD1-NH2 3.19Å; D26-R81 IonicContact OD2-CZ 3.8Å; D26-R81 IonicContact OD2-NE 3.19Å; D26-R81 PolarHBondContact OD2-NE 3.02Å; D26-R81 IonicContact OD2-NH2 2.79Å; D26-R81 PolarHBondContact OD2-NH2 2.95Å; Y62-R81 HydrophobicContact CE2-CG 4.16Å; Y62-R81 WeakPolarHBondContact CE2-O 3.48Å; Y62-R81 WeakPolarHBondContact OH-CG 3.14Å; Y63-R81 CarbonylContact C-O 3.55Å; Y63-R81 WeakPolarHBondContact CA-O 3.49Å; I64-R81 HydrophobicContact CB-CB 4.43Å; I64-R81 PolarHBondContact N-O 2.85Å; I64-R81 PolarHBondContact O-N 2.92Å; W79-R81 HydrophobicContact CZ2-CB 4.35Å; R81-Q90 CarbonylContact C-O 3.53Å; R81-Q90 WeakPolarHBondContact CA-O 3.34Å; R81-Q90 WeakPolarHBondContact CG-O 3.35Å; R81-N91 HydrophobicContact CB-CB 4.27Å; R81-N91 HydrophobicContact CG-CB 4.21Å
82	W	95.3	Very high	93.1	Very high	65 Å²	65	48.6 Å²	48.6	25%	0.246	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	158.9	-174.2	67.9	89.5	0	0	0	112.7	Y62 Y63 F80 G89 Q90 K92	Y62-W82 VanDerWaalsContact CZ-C 3.45Å; Y62-W82 WeakPolarHBondContact O-CA 3.47Å; Y63-W82 HydrophobicContact CD1-CB 4.5Å; Y63-W82 HydrophobicContact CD2-CB 3.26Å; Y63-W82 AromaticContact CD2-CG 3.98Å; Y63-W82 HydrophobicContact CD2-CG 3.98Å; Y63-W82 HydrophobicContact CE1-CE3 4.42Å; Y63-W82 HydrophobicContact CE2-CB 3.31Å; Y63-W82 AromaticContact CE2-CD2 3.81Å; Y63-W82 HydrophobicContact CE2-CD2 3.81Å; Y63-W82 HydrophobicContact CE2-CE3 4.01Å; Y63-W82 AromaticContact CE2-CG 3.52Å; Y63-W82 HydrophobicContact CE2-CG 3.52Å; Y63-W82 HydrophobicContact CG-CB 3.87Å; Y63-W82 AromaticContact CZ-CD2 3.97Å; Y63-W82 AromaticContact CZ-CE3 3.67Å; F80-W82 HydrophobicContact CB-CE3 4.02Å; F80-W82 HydrophobicContact CB-CZ3 3.78Å; W82-G89 CarbonylContact O-C 3.47Å; W82-G89 WeakPolarHBondContact O-CA 3.49Å; W82-Q90 HydrophobicContact CD2-CB 4.34Å; W82-Q90 HydrophobicContact CH2-CB 4.35Å; W82-Q90 HydrophobicContact CZ2-CB 3.74Å; W82-Q90 PolarHBondContact N-O 2.88Å; W82-Q90 PolarHBondContact O-N 2.98Å; W82-K92 HydrophobicContact CH2-CB 3.95Å; W82-K92 HydrophobicContact CZ3-CB 3.88Å
83	G	93.7	Very high	93.6	Very high	22 Å²	22	46 Å²	46	23%	0.227	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	153.9	-148.7	177.6	0	0	0	0	0	112	K61 Y62	K61-G83 WeakPolarHBondContact CA-O 3.21Å; Y62-G83 WeakPolarHBondContact CD1-O 3.47Å; Y62-G83 VanDerWaalsContact CE1-CA 3.44Å; Y62-G83 WeakPolarHBondContact CE1-O 3.45Å; Y62-G83 PolarHBondContact N-O 2.94Å; Y62-G83 PolarHBondContact O-N 3.34Å
84	R	91.5	Very high	94	Very high	41 Å²	41	44.5 Å²	44.5	16%	0.155	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	137	179.3	-164	167.1	178.2	95.2	4.2	112	N58 N60 G86 K87 R189 G269 M270 R271	N58-R84 PolarHBondContact O-NH1 3.07Å; N58-R84 PolarHBondContact OD1-NH1 3.09Å; N58-R84 VanDerWaalsContact OD1-NH1 3.16Å; N58-R84 PolarHBondContact OD1-NH2 3.4Å; N60-R84 WeakPolarHBondContact O-CA 3.16Å; R84-G86 PolarHBondContact O-N 3.25Å; R84-K87 HydrophobicContact CB-CB 4.41Å; R84-K87 HydrophobicContact CB-CG 4.18Å; R84-K87 PolarHBondContact O-N 3.03Å; R84-K87 VanDerWaalsContact O-N 3.12Å; R84-R189 PolarHBondContact O-NH1 3.09Å; R84-R189 PolarHBondContact O-NH2 2.78Å; R84-G269 VanDerWaalsContact CZ-O 3.26Å; R84-G269 PolarHBondContact NE-O 3.12Å; R84-G269 PolarHBondContact NH2-O 2.98Å; R84-M270 WeakPolarHBondContact CD-SD 3.43Å; R84-M270 PolarHBondContact NH2-O 3.31Å; R84-R271 PolarHBondContact NH2-O 3.46Å
85	V	89.9	Confident	94.3	Very high	1 Å²	1	45 Å²	45	1%	0.006	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	136.1	172.8	-178.7	0	0	0	0	109.2	N51 N60 K87 D186 P265 H266	N51-V85 WeakPolarHBondContact OD1-CG2 3.34Å; N60-V85 WeakPolarHBondContact ND2-CB 3.44Å; N60-V85 PolarHBondContact O-N 3.15Å; V85-K87 PolarHBondContact O-N 3.46Å; V85-D186 HydrophobicContact CG1-CB 3.72Å; V85-D186 WeakPolarHBondContact CG1-OD2 3.25Å; V85-P265 HydrophobicContact CG1-CB 4.36Å; V85-H266 WeakPolarHBondContact CG1-O 3.39Å
86	G	85.8	Confident	94.3	Very high	4 Å²	4	44.7 Å²	44.7	4%	0.041	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.2	-3.9	-173.8	0	0	0	0	0	118	R84 D186 D267	R84-G86 PolarHBondContact O-N 3.25Å; G86-D186 PolarHBondContact N-OD2 3.31Å; G86-D267 VanDerWaalsContact CA-CG 3.45Å; G86-D267 WeakPolarHBondContact CA-OD2 3.4Å
87	K	87.6	Confident	94.2	Very high	88 Å²	88	45.5 Å²	45.5	38%	0.383	25%	0.248	S	C	.	.	S	Bend	trans	-103.4	-167.5	176.5	-60	-56.8	176.3	-166	0	112.1	R84 V85 R189 M270	R84-K87 HydrophobicContact CB-CB 4.41Å; R84-K87 HydrophobicContact CB-CG 4.18Å; R84-K87 PolarHBondContact O-N 3.03Å; R84-K87 VanDerWaalsContact O-N 3.12Å; V85-K87 PolarHBondContact O-N 3.46Å; K87-R189 PolarHBondContact O-NH2 3.21Å; K87-M270 HydrophobicContact CG-CE 4.42Å
88	S	84.9	Confident	94.1	Very high	62 Å²	62	49.8 Å²	49.8	43%	0.434	28%	0.277	S	S	.	.			trans	-98.4	-25.8	170.2	-60.8	0	0	0	0	112	Y62	Y62-S88 PolarHBondContact OH-O 2.96Å
89	G	89.8	Confident	94	Very high	41 Å²	41	53.8 Å²	53.8	42%	0.423	30%	0.299	S	S	.	.			trans	73.1	-158.6	178.5	0	0	0	0	0	113.1	W82	W82-G89 CarbonylContact O-C 3.47Å; W82-G89 WeakPolarHBondContact O-CA 3.49Å
90	Q	95.3	Very high	93.9	Very high	125 Å²	125	55.1 Å²	55.1	58%	0.584	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.9	157.8	170	-67.5	175.1	-8.1	0	0	108.8	R81 W82	R81-Q90 CarbonylContact C-O 3.53Å; R81-Q90 WeakPolarHBondContact CA-O 3.34Å; R81-Q90 WeakPolarHBondContact CG-O 3.35Å; W82-Q90 HydrophobicContact CD2-CB 4.34Å; W82-Q90 HydrophobicContact CH2-CB 4.35Å; W82-Q90 HydrophobicContact CZ2-CB 3.74Å; W82-Q90 PolarHBondContact N-O 2.88Å; W82-Q90 PolarHBondContact O-N 2.98Å
91	N	96.2	Very high	93.9	Very high	86 Å²	86	59.9 Å²	59.9	46%	0.46	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	164.1	175.8	64.1	51.4	0	0	0	111.7	W79 F80 R81	W79-N91 HydrophobicContact CH2-CB 3.33Å; W79-N91 HydrophobicContact CZ2-CB 3.53Å; W79-N91 HydrophobicContact CZ3-CB 3.94Å; F80-N91 CarbonylContact O-C 3.52Å; F80-N91 WeakPolarHBondContact O-CA 3.22Å; F80-N91 WeakPolarHBondContact O-CB 3.44Å; R81-N91 HydrophobicContact CB-CB 4.27Å; R81-N91 HydrophobicContact CG-CB 4.21Å
92	K	97.5	Very high	94	Very high	104 Å²	104	60.8 Å²	60.8	45%	0.452	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	131.9	173.7	-171.1	-177.5	-174.2	-167.8	0	108.9	F80 W82 E94	F80-K92 HydrophobicContact CB-CB 4.37Å; F80-K92 HydrophobicContact CD2-CB 4.25Å; F80-K92 PolarHBondContact N-O 3.34Å; F80-K92 PolarHBondContact O-N 3.24Å; W82-K92 HydrophobicContact CH2-CB 3.95Å; W82-K92 HydrophobicContact CZ3-CB 3.88Å; K92-E94 HydrophobicContact CD-CG 4.12Å; K92-E94 WeakPolarHBondContact CD-OE1 3.4Å; K92-E94 WeakPolarHBondContact CE-OE1 3.14Å; K92-E94 HydrophobicContact CG-CG 4.26Å; K92-E94 IonicContact NZ-OE1 2.7Å; K92-E94 PolarHBondContact NZ-OE1 3.18Å
93	L	97.8	Very high	94.1	Very high	54 Å²	54	57.7 Å²	57.7	28%	0.283	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	122.1	169.5	-175.2	64.6	0	0	0	108.5	A31 K32 L68 W79	A31-L93 HydrophobicContact CB-CD2 4.11Å; K32-L93 HydrophobicContact CG-CD1 4.39Å; K32-L93 HydrophobicContact CG-CD2 4.02Å; L68-L93 HydrophobicContact CD1-CD1 4.47Å; W79-L93 HydrophobicContact CB-CD1 4.23Å; W79-L93 HydrophobicContact CE3-CB 3.83Å; W79-L93 HydrophobicContact CE3-CD1 4.03Å; W79-L93 HydrophobicContact CE3-CG 4.49Å; W79-L93 HydrophobicContact CZ3-CB 4.03Å
94	E	97.8	Very high	94.3	Very high	52 Å²	52	57.6 Å²	57.6	24%	0.243	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	128.5	173.3	-66.7	-175.4	-167.2	0	0	109.4	S77 V78 F80 K92 F96 C106	S77-E94 CarbonylContact C-O 3.6Å; S77-E94 WeakPolarHBondContact CA-O 3.42Å; S77-E94 WeakPolarHBondContact CB-O 3.15Å; V78-E94 PolarHBondContact N-O 3.41Å; V78-E94 PolarHBondContact O-N 3.44Å; F80-E94 HydrophobicContact CE2-CB 4.4Å; F80-E94 HydrophobicContact CE2-CG 4Å; K92-E94 HydrophobicContact CD-CG 4.12Å; K92-E94 WeakPolarHBondContact CD-OE1 3.4Å; K92-E94 WeakPolarHBondContact CE-OE1 3.14Å; K92-E94 HydrophobicContact CG-CG 4.26Å; K92-E94 IonicContact NZ-OE1 2.7Å; K92-E94 PolarHBondContact NZ-OE1 3.18Å; E94-F96 HydrophobicContact CB-CE2 3.69Å; E94-F96 HydrophobicContact CB-CZ 3.96Å; E94-F96 WeakPolarHBondContact O-CE2 3.41Å; E94-C106 PolarHBondContact OE2-SG 2.94Å
95	T	96.9	Very high	94.6	Very high	102 Å²	102	59.4 Å²	59.4	63%	0.626	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.7	142.1	-177.6	57.8	0	0	0	0	110.6
96	F	97.1	Very high	95	Very high	50 Å²	50	60.5 Å²	60.5	22%	0.219	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	7.2	-174.2	-64.8	-87.6	0	0	0	113.6	Y76 V78 E94 C98 N99 A102 A103 C106	Y76-F96 PolarHBondContact O-N 2.92Å; V78-F96 HydrophobicContact CB-CE2 4.07Å; V78-F96 HydrophobicContact CG2-CD2 4.16Å; V78-F96 HydrophobicContact CG2-CE2 3.64Å; V78-F96 HydrophobicContact CG2-CZ 4.48Å; E94-F96 HydrophobicContact CB-CE2 3.69Å; E94-F96 HydrophobicContact CB-CZ 3.96Å; E94-F96 WeakPolarHBondContact O-CE2 3.41Å; F96-C98 PolarHBondContact O-N 3.24Å; F96-N99 WeakPolarHBondContact O-CB 3.47Å; F96-N99 PolarHBondContact O-N 3.41Å; F96-N99 VanDerWaalsContact O-N 3.15Å; F96-A102 HydrophobicContact CD1-CB 3.78Å; F96-A102 HydrophobicContact CE1-CB 4.39Å; F96-A103 HydrophobicContact CB-CB 3.96Å; F96-A103 HydrophobicContact CD2-CB 3.67Å; F96-A103 HydrophobicContact CE2-CB 4.36Å; F96-A103 HydrophobicContact CG-CB 3.79Å; F96-C106 HydrophobicContact CE1-CB 4.08Å; F96-C106 HydrophobicContact CE2-CB 4.14Å; F96-C106 HydrophobicContact CZ-CB 3.47Å; F96-C106 VanDerWaalsContact CZ-CB 3.47Å
97	G	94.7	Very high	95.6	Very high	31 Å²	31	60.3 Å²	60.3	32%	0.32	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	55.1	-138.1	-174.2	0	0	0	0	0	110.9	N75 Y76 N99	N75-G97 CarbonylContact C-O 3.56Å; N75-G97 VanDerWaalsContact CA-O 3.3Å; N75-G97 WeakPolarHBondContact CA-O 3.39Å; N75-G97 WeakPolarHBondContact OD1-CA 3.46Å; Y76-G97 WeakPolarHBondContact CD2-O 3.2Å; Y76-G97 PolarHBondContact N-O 3.46Å; G97-N99 PolarHBondContact O-N 3.36Å
98	C	94.8	Very high	96.1	Very high	92 Å²	92	57.7 Å²	57.7	62%	0.622	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	1.5	178.4	61.2	0	0	0	0	115.5	N74 F96 L100	N74-C98 WeakPolarHBondContact O-CA 3.35Å; N74-C98 WeakPolarHBondContact O-CB 3.14Å; F96-C98 PolarHBondContact O-N 3.24Å; C98-L100 PolarHBondContact O-N 2.78Å; C98-L100 VanDerWaalsContact O-N 3.13Å
99	N	96.7	Very high	96.7	Very high	84 Å²	84	62.4 Å²	62.4	45%	0.449	34%	0.34	S	S	.	.			trans	-86.1	84.7	-176.4	-168	-20.6	0	0	0	112	F96 G97 Q101 A102 A103	F96-N99 WeakPolarHBondContact O-CB 3.47Å; F96-N99 PolarHBondContact O-N 3.41Å; F96-N99 VanDerWaalsContact O-N 3.15Å; G97-N99 PolarHBondContact O-N 3.36Å; N99-Q101 VanDerWaalsContact C-N 3.33Å; N99-Q101 PolarHBondContact O-N 2.88Å; N99-Q101 PolarHBondContact OD1-N 3.43Å; N99-A102 HydrophobicContact CB-CB 4.14Å; N99-A102 VanDerWaalsContact CG-CB 3.47Å; N99-A102 PolarHBondContact O-N 3.15Å; N99-A102 WeakPolarHBondContact OD1-CB 3.17Å; N99-A102 PolarHBondContact OD1-N 3.24Å; N99-A103 PolarHBondContact O-N 3.12Å
100	L	96.2	Very high	97.1	Very high	38 Å²	38	63.2 Å²	63.2	20%	0.199	33%	0.332	C	S	.	.	H	α-helix	trans	-56.8	-43.1	176.1	171.1	60.4	0	0	0	112.6	Y39 L67 Y76 C98 A102 A103 K104	Y39-L100 HydrophobicContact CD1-CD1 4.22Å; Y39-L100 HydrophobicContact CD2-CD1 4.43Å; Y39-L100 HydrophobicContact CE1-CD1 3.79Å; Y39-L100 HydrophobicContact CE1-CD2 4.46Å; Y39-L100 HydrophobicContact CE2-CD1 4.03Å; Y39-L100 HydrophobicContact CE2-CD2 4.33Å; Y39-L100 VanDerWaalsContact OH-CD2 3.25Å; Y39-L100 WeakPolarHBondContact OH-CD2 3.49Å; L67-L100 HydrophobicContact CD2-CD1 4.19Å; Y76-L100 HydrophobicContact CD1-CB 4.37Å; Y76-L100 HydrophobicContact CD1-CD1 3.66Å; Y76-L100 HydrophobicContact CD2-CB 4.03Å; Y76-L100 HydrophobicContact CE1-CB 4.16Å; Y76-L100 HydrophobicContact CE1-CD1 3.58Å; Y76-L100 HydrophobicContact CE1-CG 4.28Å; Y76-L100 HydrophobicContact CE2-CB 3.86Å; Y76-L100 HydrophobicContact CG-CB 4.31Å; Y76-L100 HydrophobicContact CG-CD1 4.3Å; C98-L100 PolarHBondContact O-N 2.78Å; C98-L100 VanDerWaalsContact O-N 3.13Å; L100-A102 PolarHBondContact O-N 3.15Å; L100-A103 WeakPolarHBondContact O-CB 3.44Å; L100-A103 PolarHBondContact O-N 2.78Å; L100-A103 VanDerWaalsContact O-N 3.15Å; L100-K104 HydrophobicContact CD1-CD 4.44Å; L100-K104 HydrophobicContact CD1-CG 4.04Å; L100-K104 HydrophobicContact CG-CD 4.5Å; L100-K104 HydrophobicContact CG-CG 4.46Å; L100-K104 PolarHBondContact O-N 2.91Å
101	Q	97.5	Very high	97.3	Very high	105 Å²	105	57.2 Å²	57.2	49%	0.491	30%	0.304	S	S	.	.	H	α-helix	trans	-65.6	-40.3	-175.4	-169.4	61.5	46.5	0	0	111.8	N99 A103 K104 N105	N99-Q101 VanDerWaalsContact C-N 3.33Å; N99-Q101 PolarHBondContact O-N 2.88Å; N99-Q101 PolarHBondContact OD1-N 3.43Å; Q101-A103 VanDerWaalsContact C-N 3.28Å; Q101-A103 PolarHBondContact O-N 3.11Å; Q101-K104 PolarHBondContact O-N 3.17Å; Q101-N105 PolarHBondContact NE2-OD1 3.07Å; Q101-N105 WeakPolarHBondContact O-CB 3.34Å; Q101-N105 PolarHBondContact O-N 2.66Å; Q101-N105 PolarHBondContact O-OD1 3.44Å
102	A	97.6	Very high	97.3	Very high	30 Å²	30	56.8 Å²	56.8	25%	0.248	30%	0.301	C	S	.	.	H	α-helix	trans	-62.6	-37.9	174.8	0	0	0	0	0	111.9	F96 N99 L100 C106	F96-A102 HydrophobicContact CD1-CB 3.78Å; F96-A102 HydrophobicContact CE1-CB 4.39Å; N99-A102 HydrophobicContact CB-CB 4.14Å; N99-A102 VanDerWaalsContact CG-CB 3.47Å; N99-A102 PolarHBondContact O-N 3.15Å; N99-A102 WeakPolarHBondContact OD1-CB 3.17Å; N99-A102 PolarHBondContact OD1-N 3.24Å; L100-A102 PolarHBondContact O-N 3.15Å; A102-C106 PolarHBondContact O-N 3.01Å
103	A	97.6	Very high	97.3	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-67.7	-44	177.1	0	0	0	0	0	111.9	L67 V78 F96 N99 L100 Q101 C106 F107	L67-A103 HydrophobicContact CD1-CB 3.4Å; V78-A103 HydrophobicContact CG2-CB 4.13Å; V78-A103 VanDerWaalsContact CG2-O 3.24Å; V78-A103 WeakPolarHBondContact CG2-O 3.43Å; F96-A103 HydrophobicContact CB-CB 3.96Å; F96-A103 HydrophobicContact CD2-CB 3.67Å; F96-A103 HydrophobicContact CE2-CB 4.36Å; F96-A103 HydrophobicContact CG-CB 3.79Å; N99-A103 PolarHBondContact O-N 3.12Å; L100-A103 WeakPolarHBondContact O-CB 3.44Å; L100-A103 PolarHBondContact O-N 2.78Å; L100-A103 VanDerWaalsContact O-N 3.15Å; Q101-A103 VanDerWaalsContact C-N 3.28Å; Q101-A103 PolarHBondContact O-N 3.11Å; A103-C106 PolarHBondContact O-N 2.91Å; A103-F107 PolarHBondContact O-N 3.43Å
104	K	97.9	Very high	97.3	Very high	19 Å²	19	55 Å²	55	8%	0.083	30%	0.295	C	S	.	.	H	α-helix	trans	-58.5	-50.3	172.2	-73.1	-171.6	-179	-174.2	0	112	E41 Y46 L67 L100 Q101 C106 F107 E108	E41-K104 IonicContact OE1-NZ 3.94Å; E41-K104 PolarHBondContact OE1-NZ 3.16Å; E41-K104 IonicContact OE2-NZ 3.88Å; E41-K104 PolarHBondContact OE2-NZ 3.01Å; Y46-K104 HydrophobicContact CE1-CD 4.11Å; Y46-K104 HydrophobicContact CE1-CG 3.96Å; Y46-K104 VanDerWaalsContact OH-CE 3.27Å; Y46-K104 WeakPolarHBondContact OH-CE 3.45Å; Y46-K104 PolarHBondContact OH-NZ 3.49Å; L67-K104 HydrophobicContact CD2-CG 3.84Å; L100-K104 HydrophobicContact CD1-CD 4.44Å; L100-K104 HydrophobicContact CD1-CG 4.04Å; L100-K104 HydrophobicContact CG-CD 4.5Å; L100-K104 HydrophobicContact CG-CG 4.46Å; L100-K104 PolarHBondContact O-N 2.91Å; Q101-K104 PolarHBondContact O-N 3.17Å; K104-C106 PolarHBondContact O-N 3.21Å; K104-F107 WeakPolarHBondContact O-CB 3.12Å; K104-F107 PolarHBondContact O-N 3.33Å; K104-E108 WeakPolarHBondContact O-CB 3.46Å; K104-E108 WeakPolarHBondContact O-CG 3.35Å; K104-E108 PolarHBondContact O-N 3.01Å
105	N	98	Very high	97.3	Very high	79 Å²	79	52.5 Å²	52.5	42%	0.422	28%	0.283	S	S	.	.	H	α-helix	trans	-56.9	-37.6	177.9	-67.4	-4.6	0	0	0	111.7	Q101 K109	Q101-N105 PolarHBondContact NE2-OD1 3.07Å; Q101-N105 WeakPolarHBondContact O-CB 3.34Å; Q101-N105 PolarHBondContact O-N 2.66Å; Q101-N105 PolarHBondContact O-OD1 3.44Å; N105-K109 WeakPolarHBondContact O-CB 3.45Å; N105-K109 PolarHBondContact O-N 3.21Å
106	C	98	Very high	97.2	Very high	24 Å²	24	51.9 Å²	51.9	16%	0.162	28%	0.275	C	S	.	.	H	α-helix	trans	-66.9	-45.8	176.1	-173.5	0	0	0	0	112	V78 E94 F96 A102 A103 K104 K110	V78-C106 HydrophobicContact CG2-CB 4.23Å; E94-C106 PolarHBondContact OE2-SG 2.94Å; F96-C106 HydrophobicContact CE1-CB 4.08Å; F96-C106 HydrophobicContact CE2-CB 4.14Å; F96-C106 HydrophobicContact CZ-CB 3.47Å; F96-C106 VanDerWaalsContact CZ-CB 3.47Å; A102-C106 PolarHBondContact O-N 3.01Å; A103-C106 PolarHBondContact O-N 2.91Å; K104-C106 PolarHBondContact O-N 3.21Å; C106-K110 WeakPolarHBondContact O-CB 3.2Å; C106-K110 PolarHBondContact O-N 3.43Å; C106-K110 VanDerWaalsContact O-N 3.07Å
107	F	98.4	Very high	97.2	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-57.4	-54.9	175	-179.9	-77.9	0	0	0	111.5	Y46 V48 I65 L67 V78 A103 K104 K110 F111 W119	Y46-F107 HydrophobicContact CD1-CD1 4.07Å; Y46-F107 HydrophobicContact CD1-CE1 4.26Å; Y46-F107 HydrophobicContact CD1-CG 4.39Å; Y46-F107 VanDerWaalsContact O-CE2 3.25Å; Y46-F107 WeakPolarHBondContact O-CE2 3.27Å; V48-F107 HydrophobicContact CB-CZ 4.49Å; V48-F107 HydrophobicContact CG1-CE2 4.44Å; V48-F107 HydrophobicContact CG1-CZ 3.85Å; I65-F107 HydrophobicContact CB-CD2 4.23Å; I65-F107 HydrophobicContact CB-CE2 3.9Å; I65-F107 HydrophobicContact CB-CZ 4.45Å; I65-F107 HydrophobicContact CG2-CD2 3.37Å; I65-F107 HydrophobicContact CG2-CE2 3.57Å; I65-F107 HydrophobicContact CG2-CG 4.04Å; I65-F107 HydrophobicContact CG2-CZ 4.38Å; I65-F107 WeakPolarHBondContact O-CE2 3.25Å; L67-F107 HydrophobicContact CB-CD2 4.02Å; V78-F107 HydrophobicContact CG1-CB 4.32Å; V78-F107 HydrophobicContact CG1-CD2 4.44Å; V78-F107 HydrophobicContact CG2-CB 4.5Å; A103-F107 PolarHBondContact O-N 3.43Å; K104-F107 WeakPolarHBondContact O-CB 3.12Å; K104-F107 PolarHBondContact O-N 3.33Å; F107-K110 WeakPolarHBondContact O-CB 3.28Å; F107-K110 PolarHBondContact O-N 3.42Å; F107-K110 VanDerWaalsContact O-N 3.15Å; F107-F111 PolarHBondContact O-N 2.84Å; F107-W119 HydrophobicContact CD1-CD2 4.39Å; F107-W119 AromaticContact CE1-CD2 3.63Å; F107-W119 HydrophobicContact CE1-CD2 3.63Å; F107-W119 AromaticContact CE1-CE2 3.75Å; F107-W119 AromaticContact CE1-CE3 3.58Å; F107-W119 HydrophobicContact CE1-CE3 3.58Å; F107-W119 HydrophobicContact CE1-CG 4.34Å; F107-W119 AromaticContact CE1-CH2 3.79Å; F107-W119 HydrophobicContact CE1-CH2 3.79Å; F107-W119 AromaticContact CE1-CZ2 3.85Å; F107-W119 HydrophobicContact CE1-CZ2 3.85Å; F107-W119 AromaticContact CE1-CZ3 3.66Å; F107-W119 HydrophobicContact CE1-CZ3 3.66Å; F107-W119 HydrophobicContact CZ-CE3 4.29Å; F107-W119 AromaticContact CZ-CH2 3.76Å; F107-W119 HydrophobicContact CZ-CH2 3.76Å; F107-W119 HydrophobicContact CZ-CZ2 4.06Å; F107-W119 AromaticContact CZ-CZ3 3.89Å; F107-W119 HydrophobicContact CZ-CZ3 3.89Å
108	E	98.1	Very high	97.3	Very high	34 Å²	34	51.1 Å²	51.1	16%	0.159	27%	0.268	C	S	.	.	H	α-helix	trans	-65.3	-43.1	-175.5	-66.8	165.5	-172.2	0	0	111.7	K104 K110 F111 L112 W119	K104-E108 WeakPolarHBondContact O-CB 3.46Å; K104-E108 WeakPolarHBondContact O-CG 3.35Å; K104-E108 PolarHBondContact O-N 3.01Å; E108-K110 VanDerWaalsContact C-N 3.26Å; E108-K110 PolarHBondContact O-N 2.91Å; E108-F111 WeakPolarHBondContact O-CB 3.3Å; E108-F111 PolarHBondContact O-N 2.86Å; E108-L112 WeakPolarHBondContact O-CB 3.28Å; E108-L112 PolarHBondContact O-N 2.68Å; E108-W119 HydrophobicContact CB-CB 4.32Å; E108-W119 HydrophobicContact CG-CB 3.75Å; E108-W119 HydrophobicContact CG-CG 4.12Å
109	K	98	Very high	97.4	Very high	161 Å²	161	47.1 Å²	47.1	70%	0.7	24%	0.24	S	C	*	.	H	α-helix	trans	-58.6	-40.9	174	179.8	178.3	-179.2	176.7	0	111.3	N105 D113	N105-K109 WeakPolarHBondContact O-CB 3.45Å; N105-K109 PolarHBondContact O-N 3.21Å; K109-D113 PolarHBondContact O-N 3.05Å
110	K	98.1	Very high	97.2	Very high	57 Å²	57	48.8 Å²	48.8	25%	0.248	25%	0.245	C	C	.	.	H	α-helix	trans	-69.1	-42.4	178.4	-168	64.7	157.4	-166.3	0	111.7	Y63 I65 F80 C106 F107 E108 D113 K114	Y63-K110 HydrophobicContact CE1-CG 4.22Å; Y63-K110 VanDerWaalsContact CZ-CE 3.41Å; Y63-K110 WeakPolarHBondContact OH-CE 3.49Å; Y63-K110 PolarHBondContact OH-NZ 2.97Å; I65-K110 HydrophobicContact CD1-CB 4.04Å; I65-K110 HydrophobicContact CD1-CG 3.77Å; I65-K110 HydrophobicContact CG1-CG 4.48Å; F80-K110 HydrophobicContact CD1-CG 3.89Å; F80-K110 HydrophobicContact CE1-CB 3.67Å; F80-K110 HydrophobicContact CE1-CD 4.34Å; F80-K110 HydrophobicContact CE1-CG 3.53Å; F80-K110 HydrophobicContact CZ-CB 4.38Å; F80-K110 HydrophobicContact CZ-CG 4.46Å; C106-K110 WeakPolarHBondContact O-CB 3.2Å; C106-K110 PolarHBondContact O-N 3.43Å; C106-K110 VanDerWaalsContact O-N 3.07Å; F107-K110 WeakPolarHBondContact O-CB 3.28Å; F107-K110 PolarHBondContact O-N 3.42Å; F107-K110 VanDerWaalsContact O-N 3.15Å; E108-K110 VanDerWaalsContact C-N 3.26Å; E108-K110 PolarHBondContact O-N 2.91Å; K110-D113 PolarHBondContact O-N 3.33Å; K110-K114 WeakPolarHBondContact O-CG 3.25Å; K110-K114 PolarHBondContact O-N 3.48Å; K110-K114 VanDerWaalsContact O-N 3.16Å
111	F	97.9	Very high	97	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-56.4	-51.9	174.1	179.4	-100.9	0	0	0	110.5	V48 L50 I65 F107 E108 D113 K114 T115 N117 T118 W119 R122 F125	V48-F111 HydrophobicContact CG1-CD2 4.16Å; V48-F111 HydrophobicContact CG2-CD2 4.34Å; V48-F111 HydrophobicContact CG2-CE2 4.08Å; L50-F111 HydrophobicContact CD2-CD2 4.46Å; L50-F111 HydrophobicContact CD2-CE2 4.15Å; I65-F111 HydrophobicContact CD1-CB 4.43Å; F107-F111 PolarHBondContact O-N 2.84Å; E108-F111 WeakPolarHBondContact O-CB 3.3Å; E108-F111 PolarHBondContact O-N 2.86Å; F111-D113 PolarHBondContact O-N 2.94Å; F111-K114 PolarHBondContact O-N 3.26Å; F111-K114 VanDerWaalsContact O-N 3.07Å; F111-T115 HydrophobicContact CD2-CG2 4.07Å; F111-T115 HydrophobicContact CE2-CG2 3.86Å; F111-T115 HydrophobicContact CZ-CG2 4.22Å; F111-T115 PolarHBondContact O-N 2.83Å; F111-T115 PolarHBondContact O-OG1 3.02Å; F111-N117 WeakPolarHBondContact CD1-O 3.35Å; F111-N117 HydrophobicContact CE1-CB 3.92Å; F111-N117 VanDerWaalsContact CE1-O 3.32Å; F111-N117 WeakPolarHBondContact CE1-O 3.41Å; F111-N117 HydrophobicContact CZ-CB 4.39Å; F111-T118 WeakPolarHBondContact CE1-O 3.33Å; F111-W119 HydrophobicContact CD1-CB 4.3Å; F111-W119 HydrophobicContact CD1-CE3 4.06Å; F111-W119 AromaticContact CD2-CE3 3.97Å; F111-W119 HydrophobicContact CD2-CE3 3.97Å; F111-W119 HydrophobicContact CD2-CZ3 4.14Å; F111-W119 HydrophobicContact CE1-CE3 4.17Å; F111-W119 HydrophobicContact CE2-CE3 4.08Å; F111-W119 HydrophobicContact CE2-CZ3 4.12Å; F111-W119 AromaticContact CG-CE3 3.95Å; F111-W119 HydrophobicContact CG-CE3 3.95Å; F111-W119 HydrophobicContact CZ-CE3 4.17Å; F111-R122 HydrophobicContact CE1-CB 4.41Å; F111-R122 HydrophobicContact CZ-CB 4.12Å; F111-F125 HydrophobicContact CE2-CE2 4.37Å; F111-F125 HydrophobicContact CZ-CD2 4.03Å; F111-F125 AromaticContact CZ-CE2 3.88Å; F111-F125 HydrophobicContact CZ-CE2 3.88Å
112	L	97.8	Very high	96.8	Very high	77 Å²	77	49.7 Å²	49.7	40%	0.403	25%	0.247	S	C	.	.	H	α-helix	trans	-57.3	-44	177.9	-178.1	64.7	0	0	0	112.9	E108 K114 L116 N117 T118	E108-L112 WeakPolarHBondContact O-CB 3.28Å; E108-L112 PolarHBondContact O-N 2.68Å; L112-K114 VanDerWaalsContact C-N 3.3Å; L112-K114 PolarHBondContact O-N 3.03Å; L112-L116 VanDerWaalsContact O-CA 3.25Å; L112-L116 WeakPolarHBondContact O-CA 3.15Å; L112-L116 PolarHBondContact O-N 2.78Å; L112-N117 WeakPolarHBondContact CA-O 3.24Å; L112-N117 WeakPolarHBondContact CD1-O 3.35Å; L112-T118 HydrophobicContact CD1-CG2 4.36Å
113	D	97.5	Very high	96.3	Very high	75 Å²	75	58.5 Å²	58.5	40%	0.401	27%	0.274	S	S	.	.	H	α-helix	trans	-57.5	-42.6	175.6	171	47.5	0	0	0	112.2	K109 K110 F111 K131	K109-D113 PolarHBondContact O-N 3.05Å; K110-D113 PolarHBondContact O-N 3.33Å; F111-D113 PolarHBondContact O-N 2.94Å; D113-K131 PolarHBondContact O-NZ 2.82Å
114	K	97	Very high	96	Very high	44 Å²	44	64.6 Å²	64.6	19%	0.191	31%	0.306	C	S	.	.	H	α-helix	trans	-81.6	-29	-174.7	-63.1	-44.9	178.5	-150.3	0	114.2	L50 Y63 K110 F111 L112 K131 Y132	L50-K114 HydrophobicContact CD1-CB 3.81Å; L50-K114 HydrophobicContact CD1-CG 4.48Å; Y63-K114 HydrophobicContact CD2-CD 4.45Å; Y63-K114 HydrophobicContact CD2-CG 4.44Å; Y63-K114 HydrophobicContact CG-CG 4.48Å; K110-K114 WeakPolarHBondContact O-CG 3.25Å; K110-K114 PolarHBondContact O-N 3.48Å; K110-K114 VanDerWaalsContact O-N 3.16Å; F111-K114 PolarHBondContact O-N 3.26Å; F111-K114 VanDerWaalsContact O-N 3.07Å; L112-K114 VanDerWaalsContact C-N 3.3Å; L112-K114 PolarHBondContact O-N 3.03Å; K114-K131 WeakPolarHBondContact O-CB 3.47Å; K114-Y132 HydrophobicContact CB-CD2 4.02Å; K114-Y132 HydrophobicContact CD-CD2 4.34Å; K114-Y132 HydrophobicContact CD-CE2 4.18Å; K114-Y132 PolarHBondContact O-N 3.22Å
115	T	96.8	Very high	95.8	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-117.4	-20.8	-171.2	67.5	0	0	0	0	113.9	L50 F111 N117 F125 H128	L50-T115 HydrophobicContact CD1-CG2 3.83Å; L50-T115 HydrophobicContact CD2-CG2 3.78Å; L50-T115 HydrophobicContact CG-CG2 4.48Å; F111-T115 HydrophobicContact CD2-CG2 4.07Å; F111-T115 HydrophobicContact CE2-CG2 3.86Å; F111-T115 HydrophobicContact CZ-CG2 4.22Å; F111-T115 PolarHBondContact O-N 2.83Å; F111-T115 PolarHBondContact O-OG1 3.02Å; T115-N117 PolarHBondContact O-N 3.02Å; T115-N117 PolarHBondContact O-ND2 2.74Å; T115-N117 PolarHBondContact OG1-N 2.86Å; T115-N117 VanDerWaalsContact OG1-N 3.07Å; T115-N117 PolarHBondContact OG1-O 3.29Å; T115-F125 HydrophobicContact CG2-CE2 3.79Å; T115-F125 HydrophobicContact CG2-CZ 3.99Å; T115-H128 PolarHBondContact O-CD2 2.94Å
116	L	96.5	Very high	95.5	Very high	89 Å²	89	66.9 Å²	66.9	47%	0.466	32%	0.317	S	S	.	.	S	Bend	trans	60.8	18.4	-165.2	-56.1	176.8	0	0	0	114.4	L112 H128 K131	L112-L116 VanDerWaalsContact O-CA 3.25Å; L112-L116 WeakPolarHBondContact O-CA 3.15Å; L112-L116 PolarHBondContact O-N 2.78Å; L116-H128 HydrophobicContact CD1-CB 4.2Å; L116-K131 HydrophobicContact CD1-CD 4.32Å; L116-K131 HydrophobicContact CD1-CG 3.91Å; L116-K131 HydrophobicContact CG-CD 4.05Å; L116-K131 HydrophobicContact CG-CG 3.95Å
117	N	97.2	Very high	95.2	Very high	15 Å²	15	68.8 Å²	68.8	8%	0.08	32%	0.322	C	S	.	.	S	Bend	trans	-111.3	145.7	173.8	-68.1	-105.3	0	0	0	109.1	F111 L112 T115 F125 I126	F111-N117 WeakPolarHBondContact CD1-O 3.35Å; F111-N117 HydrophobicContact CE1-CB 3.92Å; F111-N117 VanDerWaalsContact CE1-O 3.32Å; F111-N117 WeakPolarHBondContact CE1-O 3.41Å; F111-N117 HydrophobicContact CZ-CB 4.39Å; L112-N117 WeakPolarHBondContact CA-O 3.24Å; L112-N117 WeakPolarHBondContact CD1-O 3.35Å; T115-N117 PolarHBondContact O-N 3.02Å; T115-N117 PolarHBondContact O-ND2 2.74Å; T115-N117 PolarHBondContact OG1-N 2.86Å; T115-N117 VanDerWaalsContact OG1-N 3.07Å; T115-N117 PolarHBondContact OG1-O 3.29Å; N117-F125 HydrophobicContact CB-CD2 4.05Å; N117-F125 HydrophobicContact CB-CE2 4.12Å; N117-I126 PolarHBondContact ND2-O 3.21Å; N117-I126 PolarHBondContact OD1-N 3.49Å
118	T	96.6	Very high	94.9	Very high	51 Å²	51	72 Å²	72	31%	0.313	34%	0.337	S	S	.	.			trans	-76	152.4	169.1	56.6	0	0	0	0	109.7	F111 L112 E120 E121 R122	F111-T118 WeakPolarHBondContact CE1-O 3.33Å; L112-T118 HydrophobicContact CD1-CG2 4.36Å; T118-E120 VanDerWaalsContact C-N 3.31Å; T118-E120 PolarHBondContact O-N 2.85Å; T118-E121 PolarHBondContact O-N 3.39Å; T118-E121 WeakPolarHBondContact OG1-CB 3.47Å; T118-E121 WeakPolarHBondContact OG1-CG 3.37Å; T118-R122 PolarHBondContact O-N 3.03Å
119	W	95.7	Very high	94.4	Very high	7 Å²	7	80.3 Å²	80.3	3%	0.027	37%	0.373	C	S	.	.	S	Bend	trans	-68.3	-35.5	-177.3	178.9	-113.4	0	0	0	111.5	I45 Y46 V48 F107 E108 F111 E121 R122	I45-W119 WeakPolarHBondContact O-CZ2 3.23Å; Y46-W119 AromaticContact CD1-NE1 3.8Å; Y46-W119 AromaticContact CE1-CD1 3.98Å; Y46-W119 AromaticContact CE1-NE1 3.67Å; V48-W119 HydrophobicContact CB-CH2 4.24Å; V48-W119 HydrophobicContact CB-CZ3 3.96Å; V48-W119 HydrophobicContact CG1-CZ3 4.26Å; V48-W119 HydrophobicContact CG2-CZ3 4.39Å; F107-W119 HydrophobicContact CD1-CD2 4.39Å; F107-W119 AromaticContact CE1-CD2 3.63Å; F107-W119 HydrophobicContact CE1-CD2 3.63Å; F107-W119 AromaticContact CE1-CE2 3.75Å; F107-W119 AromaticContact CE1-CE3 3.58Å; F107-W119 HydrophobicContact CE1-CE3 3.58Å; F107-W119 HydrophobicContact CE1-CG 4.34Å; F107-W119 AromaticContact CE1-CH2 3.79Å; F107-W119 HydrophobicContact CE1-CH2 3.79Å; F107-W119 AromaticContact CE1-CZ2 3.85Å; F107-W119 HydrophobicContact CE1-CZ2 3.85Å; F107-W119 AromaticContact CE1-CZ3 3.66Å; F107-W119 HydrophobicContact CE1-CZ3 3.66Å; F107-W119 HydrophobicContact CZ-CE3 4.29Å; F107-W119 AromaticContact CZ-CH2 3.76Å; F107-W119 HydrophobicContact CZ-CH2 3.76Å; F107-W119 HydrophobicContact CZ-CZ2 4.06Å; F107-W119 AromaticContact CZ-CZ3 3.89Å; F107-W119 HydrophobicContact CZ-CZ3 3.89Å; E108-W119 HydrophobicContact CB-CB 4.32Å; E108-W119 HydrophobicContact CG-CB 3.75Å; E108-W119 HydrophobicContact CG-CG 4.12Å; F111-W119 HydrophobicContact CD1-CB 4.3Å; F111-W119 HydrophobicContact CD1-CE3 4.06Å; F111-W119 AromaticContact CD2-CE3 3.97Å; F111-W119 HydrophobicContact CD2-CE3 3.97Å; F111-W119 HydrophobicContact CD2-CZ3 4.14Å; F111-W119 HydrophobicContact CE1-CE3 4.17Å; F111-W119 HydrophobicContact CE2-CE3 4.08Å; F111-W119 HydrophobicContact CE2-CZ3 4.12Å; F111-W119 AromaticContact CG-CE3 3.95Å; F111-W119 HydrophobicContact CG-CE3 3.95Å; F111-W119 HydrophobicContact CZ-CE3 4.17Å; W119-E121 VanDerWaalsContact C-N 3.32Å; W119-E121 PolarHBondContact O-N 2.99Å; W119-R122 VanDerWaalsContact O-CB 3.28Å; W119-R122 WeakPolarHBondContact O-CB 3.41Å; W119-R122 WeakPolarHBondContact O-CD 3.32Å; W119-R122 WeakPolarHBondContact O-CG 3.38Å; W119-R122 PolarHBondContact O-N 2.95Å; W119-R122 PolarHBondContact O-NH1 2.83Å
120	E	93	Very high	94	Very high	120 Å²	120	75.5 Å²	75.5	56%	0.561	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-37.5	179.7	-60.4	78.1	-173.3	0	0	111.6	T118 R122	T118-E120 VanDerWaalsContact C-N 3.31Å; T118-E120 PolarHBondContact O-N 2.85Å; E120-R122 VanDerWaalsContact C-N 3.35Å
121	E	91.9	Very high	93.8	Very high	127 Å²	127	75.5 Å²	75.5	59%	0.593	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	8.6	-179.3	-60.8	-177.8	173	0	0	113.2	T118 W119 R123 N124	T118-E121 PolarHBondContact O-N 3.39Å; T118-E121 WeakPolarHBondContact OG1-CB 3.47Å; T118-E121 WeakPolarHBondContact OG1-CG 3.37Å; W119-E121 VanDerWaalsContact C-N 3.32Å; W119-E121 PolarHBondContact O-N 2.99Å; E121-R123 PolarHBondContact O-N 2.8Å; E121-N124 CarbonylContact O-C 3.53Å; E121-N124 WeakPolarHBondContact O-CA 3.42Å; E121-N124 PolarHBondContact O-N 3.02Å
122	R	92.6	Very high	93.6	Very high	35 Å²	35	76.9 Å²	76.9	13%	0.132	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-57.1	-19.5	-176.7	73.2	-170.4	177.4	-78.5	-2.9	114.6	D44 F111 T118 W119 E120 N124 F125	D44-R122 IonicContact OD1-CZ 3.4Å; D44-R122 IonicContact OD1-NH1 3.22Å; D44-R122 IonicContact OD1-NH2 2.72Å; D44-R122 PolarHBondContact OD1-NH2 2.78Å; D44-R122 IonicContact OD2-CZ 2.67Å; D44-R122 IonicContact OD2-NH1 2.64Å; D44-R122 PolarHBondContact OD2-NH1 2.87Å; D44-R122 IonicContact OD2-NH2 2.98Å; D44-R122 PolarHBondContact OD2-NH2 2.72Å; F111-R122 HydrophobicContact CE1-CB 4.41Å; F111-R122 HydrophobicContact CZ-CB 4.12Å; T118-R122 PolarHBondContact O-N 3.03Å; W119-R122 VanDerWaalsContact O-CB 3.28Å; W119-R122 WeakPolarHBondContact O-CB 3.41Å; W119-R122 WeakPolarHBondContact O-CD 3.32Å; W119-R122 WeakPolarHBondContact O-CG 3.38Å; W119-R122 PolarHBondContact O-N 2.95Å; W119-R122 PolarHBondContact O-NH1 2.83Å; E120-R122 VanDerWaalsContact C-N 3.35Å; R122-N124 VanDerWaalsContact C-N 3.26Å; R122-N124 PolarHBondContact O-N 2.65Å; R122-F125 WeakPolarHBondContact O-CB 3.16Å; R122-F125 PolarHBondContact O-N 3.12Å
123	R	88.2	Confident	93.5	Very high	214 Å²	214	73.7 Å²	73.7	81%	0.808	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-67.9	-27.7	172.4	-66.3	-175.1	179.2	-176.9	-0.1	112.5	E121	E121-R123 PolarHBondContact O-N 2.8Å
124	N	91.1	Very high	93.3	Very high	128 Å²	128	72.1 Å²	72.1	68%	0.684	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-102.4	34.5	174.1	-62.7	-31.9	0	0	0	111	E121 R122 I126	E121-N124 CarbonylContact O-C 3.53Å; E121-N124 WeakPolarHBondContact O-CA 3.42Å; E121-N124 PolarHBondContact O-N 3.02Å; R122-N124 VanDerWaalsContact C-N 3.26Å; R122-N124 PolarHBondContact O-N 2.65Å; N124-I126 WeakPolarHBondContact O-CG1 3.22Å; N124-I126 PolarHBondContact O-N 3.35Å
125	F	92.7	Very high	93	Very high	39 Å²	39	70.1 Å²	70.1	17%	0.171	34%	0.34	C	S	.	.			trans	-54	127.9	-173.8	-172.2	-87.8	0	0	0	112.6	F111 T115 N117 R122 K127 D133 M134	F111-F125 HydrophobicContact CE2-CE2 4.37Å; F111-F125 HydrophobicContact CZ-CD2 4.03Å; F111-F125 AromaticContact CZ-CE2 3.88Å; F111-F125 HydrophobicContact CZ-CE2 3.88Å; T115-F125 HydrophobicContact CG2-CE2 3.79Å; T115-F125 HydrophobicContact CG2-CZ 3.99Å; N117-F125 HydrophobicContact CB-CD2 4.05Å; N117-F125 HydrophobicContact CB-CE2 4.12Å; R122-F125 WeakPolarHBondContact O-CB 3.16Å; R122-F125 PolarHBondContact O-N 3.12Å; F125-K127 HydrophobicContact CE1-CB 4.36Å; F125-D133 WeakPolarHBondContact CE1-OD1 3.46Å; F125-M134 HydrophobicContact CB-CE 4.45Å; F125-M134 HydrophobicContact CD2-CB 4.28Å; F125-M134 HydrophobicContact CE2-CB 4.17Å; F125-M134 HydrophobicContact CG-CB 4.48Å; F125-M134 HydrophobicContact CZ-CB 4.3Å
126	I	92.6	Very high	92.5	Very high	108 Å²	108	74.6 Å²	74.6	55%	0.554	36%	0.361	S	S	*	.			trans	-108.6	119.2	174.8	-56.6	179.4	0	0	0	109.2	N117 N124 H128	N117-I126 PolarHBondContact ND2-O 3.21Å; N117-I126 PolarHBondContact OD1-N 3.49Å; N124-I126 WeakPolarHBondContact O-CG1 3.22Å; N124-I126 PolarHBondContact O-N 3.35Å; I126-H128 PolarHBondContact O-CD2 3.45Å; I126-H128 PolarHBondContact O-N 3.49Å; I126-H128 VanDerWaalsContact O-N 3.14Å
127	K	91.3	Very high	92	Very high	63 Å²	63	71.7 Å²	71.7	27%	0.274	35%	0.345	S	S	.	.			trans	-70.4	108.1	174.5	175.3	53.8	168.4	-173.7	0	110.8	F125 K131 Y132 D133	F125-K127 HydrophobicContact CE1-CB 4.36Å; K127-K131 PolarHBondContact NZ-O 3.28Å; K127-Y132 PolarHBondContact NZ-O 3.29Å; K127-D133 HydrophobicContact CD-CB 3.75Å
128	H	91.6	Very high	91.1	Very high	68 Å²	68	74 Å²	74	32%	0.315	36%	0.357	S	S	.	.			trans	-86.5	141.8	173.6	-66.8	-86	0	0	0	112.9	T115 L116 I126 G130 K131	T115-H128 PolarHBondContact O-CD2 2.94Å; L116-H128 HydrophobicContact CD1-CB 4.2Å; I126-H128 PolarHBondContact O-CD2 3.45Å; I126-H128 PolarHBondContact O-N 3.49Å; I126-H128 VanDerWaalsContact O-N 3.14Å; H128-G130 PolarHBondContact O-N 2.79Å; H128-K131 HydrophobicContact CB-CB 4.07Å; H128-K131 HydrophobicContact CB-CG 4.03Å; H128-K131 PolarHBondContact O-N 3.5Å; H128-K131 VanDerWaalsContact O-N 3.14Å
129	K	88.3	Confident	89.8	Confident	208 Å²	208	72.7 Å²	72.7	90%	0.904	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	130.7	177	-175.8	178.8	179.6	179.6	0	110.9	K131	K129-K131 PolarHBondContact O-N 3.48Å
130	G	88.8	Confident	88.2	Confident	60 Å²	60	73.4 Å²	73.4	62%	0.619	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.9	3.8	178.6	0	0	0	0	0	115	Q52 H128	Q52-G130 PolarHBondContact NE2-O 3.5Å; H128-G130 PolarHBondContact O-N 2.79Å
131	K	93.8	Very high	86.2	Confident	57 Å²	57	74.4 Å²	74.4	25%	0.248	37%	0.37	C	S	.	.	S	Bend	trans	-103.5	172	172.7	-66.7	-68	-176	166.1	0	111.3	Q52 D113 K114 L116 K127 H128 K129	Q52-K131 PolarHBondContact NE2-O 3.32Å; D113-K131 PolarHBondContact O-NZ 2.82Å; K114-K131 WeakPolarHBondContact O-CB 3.47Å; L116-K131 HydrophobicContact CD1-CD 4.32Å; L116-K131 HydrophobicContact CD1-CG 3.91Å; L116-K131 HydrophobicContact CG-CD 4.05Å; L116-K131 HydrophobicContact CG-CG 3.95Å; K127-K131 PolarHBondContact NZ-O 3.28Å; H128-K131 HydrophobicContact CB-CB 4.07Å; H128-K131 HydrophobicContact CB-CG 4.03Å; H128-K131 PolarHBondContact O-N 3.5Å; H128-K131 VanDerWaalsContact O-N 3.14Å; K129-K131 PolarHBondContact O-N 3.48Å
132	Y	95.3	Very high	84.2	Confident	30 Å²	30	70.8 Å²	70.8	12%	0.118	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-73.8	154.8	175.6	-71.4	-103.2	0	0	0	111	L50 Q52 K61 K114 K127	L50-Y132 HydrophobicContact CB-CD1 3.9Å; L50-Y132 HydrophobicContact CB-CG 4.16Å; Q52-Y132 HydrophobicContact CB-CD1 3.76Å; Q52-Y132 HydrophobicContact CB-CE1 4.03Å; Q52-Y132 HydrophobicContact CB-CG 4.12Å; K61-Y132 HydrophobicContact CB-CE1 4.08Å; K114-Y132 HydrophobicContact CB-CD2 4.02Å; K114-Y132 HydrophobicContact CD-CD2 4.34Å; K114-Y132 HydrophobicContact CD-CE2 4.18Å; K114-Y132 PolarHBondContact O-N 3.22Å; K127-Y132 PolarHBondContact NZ-O 3.29Å
133	D	95	Very high	81.8	Confident	10 Å²	10	73.3 Å²	73.3	5%	0.053	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	158.5	166.7	-151.9	-5.2	0	0	0	109	L50 N51 F125 K127 T262	L50-D133 CarbonylContact C-O 3.46Å; L50-D133 VanDerWaalsContact CA-O 3.23Å; L50-D133 WeakPolarHBondContact CA-O 2.98Å; N51-D133 PolarHBondContact N-O 2.91Å; N51-D133 PolarHBondContact O-N 3.2Å; F125-D133 WeakPolarHBondContact CE1-OD1 3.46Å; K127-D133 HydrophobicContact CD-CB 3.75Å; D133-T262 HydrophobicContact CB-CG2 3.31Å
134	M	92.9	Very high	79.5	Confident	42 Å²	42	68.5 Å²	68.5	21%	0.207	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	133.6	174	-167.1	166.2	68.3	0	0	109.9	V48 L50 F125	V48-M134 HydrophobicContact CG2-CG 3.95Å; V48-M134 HydrophobicContact CG2-SD 4.14Å; L50-M134 HydrophobicContact CD2-CB 4.35Å; F125-M134 HydrophobicContact CB-CE 4.45Å; F125-M134 HydrophobicContact CD2-CB 4.28Å; F125-M134 HydrophobicContact CE2-CB 4.17Å; F125-M134 HydrophobicContact CG-CB 4.48Å; F125-M134 HydrophobicContact CZ-CB 4.3Å
135	V	90.9	Very high	76.9	Confident	2 Å²	2	69.3 Å²	69.3	1%	0.012	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	106.2	169	-177.6	0	0	0	0	106.4	M49 N51 M137 L195 Q199 P265	M49-V135 HydrophobicContact CB-CB 4.37Å; M49-V135 HydrophobicContact CG-CB 4.2Å; M49-V135 PolarHBondContact O-N 3.15Å; M49-V135 HydrophobicContact SD-CB 4.36Å; M49-V135 HydrophobicContact SD-CG1 4.33Å; N51-V135 HydrophobicContact CB-CG2 3.53Å; V135-M137 HydrophobicContact CG1-SD 3.96Å; V135-M137 PolarHBondContact O-N 3.42Å; V135-L195 HydrophobicContact CG1-CD1 3.65Å; V135-Q199 HydrophobicContact CG1-CG 4.12Å; V135-P265 HydrophobicContact CG1-CG 4.39Å; V135-P265 HydrophobicContact CG2-CG 4.15Å
136	E	86.9	Confident	74.5	Confident	94 Å²	94	71.2 Å²	71.2	44%	0.439	38%	0.383	S	S	.	.			trans	-71.8	114.8	-177.3	-175.9	-179	-172.1	0	0	110.4	S196 S198 Q199	E136-S196 WeakPolarHBondContact CB-OG 3.38Å; E136-S196 WeakPolarHBondContact CG-OG 3.46Å; E136-S196 WeakPolarHBondContact O-CB 3.43Å; E136-S196 PolarHBondContact O-N 2.67Å; E136-S196 PolarHBondContact O-OG 2.94Å; E136-S198 VanDerWaalsContact CD-OG 3.27Å; E136-S198 WeakPolarHBondContact OE2-CB 3.47Å; E136-S198 PolarHBondContact OE2-OG 3.13Å; E136-Q199 HydrophobicContact CB-CB 4.48Å
137	M	85.1	Confident	71.7	Confident	27 Å²	27	70.6 Å²	70.6	13%	0.133	39%	0.385	C	S	.	.	B	Isolated β-bridge	trans	-100.3	131.5	-179.8	-59.1	-60.4	-73.5	0	0	110.5	M49 V135 Y139 A190 K194 L195	M49-M137 HydrophobicContact CB-CG 4.16Å; M49-M137 HydrophobicContact SD-SD 4.09Å; V135-M137 HydrophobicContact CG1-SD 3.96Å; V135-M137 PolarHBondContact O-N 3.42Å; M137-Y139 HydrophobicContact CB-CD2 4.41Å; M137-Y139 HydrophobicContact CB-CE1 4.32Å; M137-Y139 HydrophobicContact CB-CE2 3.74Å; M137-A190 HydrophobicContact CE-CB 4.06Å; M137-A190 HydrophobicContact SD-CB 4.26Å; M137-K194 CarbonylContact C-O 3.45Å; M137-K194 WeakPolarHBondContact CA-O 3.44Å; M137-K194 HydrophobicContact CE-CB 3.5Å; M137-L195 HydrophobicContact SD-CD1 4.44Å
138	D	78	Confident	69.1	Low	63 Å²	63	70.8 Å²	70.8	34%	0.337	40%	0.398	S	S	.	.			trans	-105.3	98.6	170.2	-176.5	2.2	0	0	0	110	G140 K194	D138-G140 PolarHBondContact O-N 3.24Å; D138-G140 WeakPolarHBondContact OD1-CA 3.31Å; D138-G140 PolarHBondContact OD1-N 2.74Å; D138-K194 PolarHBondContact N-O 2.97Å; D138-K194 WeakPolarHBondContact O-CA 3.39Å; D138-K194 WeakPolarHBondContact O-CD 3.49Å
139	Y	71	Confident	66.4	Low	24 Å²	24	77.7 Å²	77.7	9%	0.094	43%	0.427	C	S	.	.			trans	-73.3	-12.8	176.2	-59.3	-74.2	0	0	0	113.5	K22 A23 P24 D47 M137 Q142 K194	K22-Y139 WeakPolarHBondContact O-CB 3.14Å; A23-Y139 HydrophobicContact CB-CD2 3.65Å; A23-Y139 HydrophobicContact CB-CE2 3.84Å; A23-Y139 HydrophobicContact CB-CG 4.09Å; P24-Y139 HydrophobicContact CG-CD1 3.93Å; P24-Y139 HydrophobicContact CG-CE1 3.89Å; D47-Y139 WeakPolarHBondContact OD2-CE2 3.4Å; D47-Y139 PolarHBondContact OD2-OH 3.29Å; M137-Y139 HydrophobicContact CB-CD2 4.41Å; M137-Y139 HydrophobicContact CB-CE1 4.32Å; M137-Y139 HydrophobicContact CB-CE2 3.74Å; Y139-Q142 PolarHBondContact O-NE2 2.81Å; Y139-K194 HydrophobicContact CD1-CD 3.86Å; Y139-K194 HydrophobicContact CD1-CG 4.43Å; Y139-K194 PolarHBondContact O-NZ 3.31Å
140	G	61.3	Low	64	Low	22 Å²	22	75.9 Å²	75.9	23%	0.227	42%	0.419	C	S	.	.			trans	67.7	159.5	-167.7	0	0	0	0	0	112.3	D138 Q142	D138-G140 PolarHBondContact O-N 3.24Å; D138-G140 WeakPolarHBondContact OD1-CA 3.31Å; D138-G140 PolarHBondContact OD1-N 2.74Å; G140-Q142 PolarHBondContact O-N 3.08Å
141	V	51.5	Low	61.7	Low	141 Å²	141	83.1 Å²	83.1	86%	0.855	43%	0.434	S	S	*	.			trans	-67.8	103.6	167.7	-174.3	0	0	0	0	107.5
142	Q	49.2	Very low	59.7	Low	52 Å²	52	84.5 Å²	84.5	24%	0.243	45%	0.447	C	S	.	.			trans	-94.9	109.6	167.4	-74	177.6	71.4	0	0	106.7	C19 Y139 G140 E144 K194	C19-Q142 PolarHBondContact SG-NE2 3.47Å; C19-Q142 PolarHBondContact SG-OE1 3.4Å; Y139-Q142 PolarHBondContact O-NE2 2.81Å; G140-Q142 PolarHBondContact O-N 3.08Å; Q142-E144 PolarHBondContact O-N 3.2Å; Q142-K194 VanDerWaalsContact NE2-NZ 3.13Å
143	D	41.4	Very low	57.8	Low	87 Å²	87	92 Å²	92	47%	0.465	48%	0.48	S	S	.	.			trans	-56.6	130.6	168.6	-82.5	-38	0	0	0	108.7	N145 A146 Q306	D143-N145 PolarHBondContact O-N 2.91Å; D143-A146 PolarHBondContact O-N 3.4Å; D143-Q306 PolarHBondContact OD2-NE2 3.42Å
144	E	41.9	Very low	56.3	Low	113 Å²	113	101 Å²	101	53%	0.528	52%	0.519	S	S	.	.	G	3₁₀ helix	trans	-55.6	-13	-176.6	-61.5	-174.6	147.3	0	0	113.5	Y40 Q142 A146	Y40-E144 PolarHBondContact OH-OE1 3.22Å; Q142-E144 PolarHBondContact O-N 3.2Å; E144-A146 PolarHBondContact O-N 3.36Å
145	N	35.8	Very low	55.7	Low	145 Å²	145	102.1 Å²	102.1	78%	0.775	53%	0.525	S	S	*	.	G	3₁₀ helix	trans	-85.8	7.5	-179.1	-70.7	-32.4	0	0	0	115.5	D143 T147	D143-N145 PolarHBondContact O-N 2.91Å; N145-T147 PolarHBondContact O-N 3.49Å
146	A	41.1	Very low	55.5	Low	79 Å²	79	110.9 Å²	110.9	65%	0.653	56%	0.563	S	S	*	*	G	3₁₀ helix	trans	-71	-3	178.6	0	0	0	0	0	115.1	D143 E144 A148	D143-A146 PolarHBondContact O-N 3.4Å; E144-A146 PolarHBondContact O-N 3.36Å; A146-A148 PolarHBondContact O-N 3.22Å
147	T	34.3	Very low	55.6	Low	95 Å²	95	106.9 Å²	106.9	58%	0.583	55%	0.545	S	S	*	.	G	3₁₀ helix	trans	-81	-6.3	-177.1	24	0	0	0	0	115.4	I18 N145 K149	I18-T147 HydrophobicContact CG2-CG2 4.24Å; N145-T147 PolarHBondContact O-N 3.49Å; T147-K149 PolarHBondContact O-N 3.34Å
148	A	37.7	Very low	55.9	Low	67 Å²	67	116.7 Å²	116.7	55%	0.554	58%	0.581	S	S	*	*			trans	-85.9	101.9	176.1	0	0	0	0	0	110.9	A146 K150	A146-A148 PolarHBondContact O-N 3.22Å; A148-K150 HydrophobicContact CB-CG 4.19Å; A148-K150 PolarHBondContact O-N 2.97Å
149	K	35.2	Very low	56.7	Low	214 Å²	214	115 Å²	115	93%	0.93	57%	0.572	S	S	*	*			trans	-60.2	68.6	151.4	-75.1	-175.6	-179.9	177.5	0	108.5	T147 K151	T147-K149 PolarHBondContact O-N 3.34Å; K149-K151 PolarHBondContact O-N 3.23Å
150	K	37.3	Very low	57.9	Low	169 Å²	169	117 Å²	117	74%	0.735	59%	0.588	S	S	*	*			trans	-64.1	125	162.3	-79.2	-175.5	179.6	176.7	0	105	A148 V152	A148-K150 HydrophobicContact CB-CG 4.19Å; A148-K150 PolarHBondContact O-N 2.97Å; K150-V152 WeakPolarHBondContact O-CG2 3.14Å; K150-V152 PolarHBondContact O-N 2.87Å
151	K	41.1	Very low	59.5	Low	212 Å²	212	121.2 Å²	121.2	92%	0.922	61%	0.609	S	S	*	*			trans	-58.6	85	165.9	-77.3	-178.9	176.3	177.1	0	106.9	K149 K153	K149-K151 PolarHBondContact O-N 3.23Å; K151-K153 PolarHBondContact O-N 2.75Å; K151-K153 VanDerWaalsContact O-N 3.15Å
152	V	51.8	Low	61.7	Low	86 Å²	86	115.6 Å²	115.6	52%	0.521	58%	0.577	S	S	.	*			trans	-62.8	117.8	172.3	-176.5	0	0	0	0	104.7	K150 K154	K150-V152 WeakPolarHBondContact O-CG2 3.14Å; K150-V152 PolarHBondContact O-N 2.87Å; V152-K154 PolarHBondContact O-N 2.89Å
153	K	54.9	Low	64	Low	187 Å²	187	113.1 Å²	113.1	81%	0.813	57%	0.566	S	S	*	*			trans	-50.7	127.6	169.1	-76	-178	176.1	179	0	106.4	K151 I155	K151-K153 PolarHBondContact O-N 2.75Å; K151-K153 VanDerWaalsContact O-N 3.15Å; K153-I155 VanDerWaalsContact C-N 3.33Å; K153-I155 WeakPolarHBondContact O-CG1 3.36Å; K153-I155 PolarHBondContact O-N 2.97Å
154	K	62.9	Low	66.6	Low	200 Å²	200	110.9 Å²	110.9	87%	0.87	55%	0.552	S	S	*	*			trans	-61.3	95.8	177.5	-81.6	-173.6	175.7	-176.5	0	108.6	V152	V152-K154 PolarHBondContact O-N 2.89Å
155	I	80.3	Confident	69.2	Low	66 Å²	66	108.5 Å²	108.5	34%	0.338	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-72.2	127.2	173.2	-61.3	176.6	0	0	0	106.5	K153 T309 N311	K153-I155 VanDerWaalsContact C-N 3.33Å; K153-I155 WeakPolarHBondContact O-CG1 3.36Å; K153-I155 PolarHBondContact O-N 2.97Å; I155-T309 WeakPolarHBondContact CD1-O 3.37Å; I155-N311 HydrophobicContact CG2-CB 4.44Å; I155-N311 PolarHBondContact O-ND2 2.86Å
156	K	86.2	Confident	72.1	Confident	185 Å²	185	101.6 Å²	101.6	80%	0.804	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-70.6	134	177.5	-170.3	178.6	178	-178	0	109.3
157	S	89.6	Confident	74.7	Confident	10 Å²	10	97.9 Å²	97.9	7%	0.07	48%	0.478	C	S	.	.	P	Polyproline II helix	trans	-63.6	145	175.2	167.2	0	0	0	0	110.9	L159 Q164 N311 D314	S157-L159 PolarHBondContact OG-N 3.04Å; S157-L159 VanDerWaalsContact OG-N 3.15Å; S157-Q164 WeakPolarHBondContact OG-CG 3.49Å; S157-N311 PolarHBondContact N-ND2 3.34Å; S157-D314 WeakPolarHBondContact CA-OD2 3.33Å; S157-D314 VanDerWaalsContact CB-OD1 3.32Å; S157-D314 WeakPolarHBondContact CB-OD1 3.15Å; S157-D314 PolarHBondContact OG-OD1 3.27Å
158	R	90.7	Very high	77.4	Confident	234 Å²	234	99.6 Å²	99.6	88%	0.883	48%	0.477	S	S	*	.			trans	-91.3	-9	175.2	-60.7	179.8	-174.6	177.4	2	113.2	D314	R158-D314 PolarHBondContact N-OD1 3.09Å; R158-D314 PolarHBondContact N-OD2 3.03Å
159	L	94.7	Very high	80.1	Confident	27 Å²	27	98.3 Å²	98.3	14%	0.141	46%	0.46	C	S	.	.	S	Bend	trans	-75.3	153.8	-177.6	-66.9	168.5	0	0	0	111.7	S157 V163 Q164 I313 D314 Y317	S157-L159 PolarHBondContact OG-N 3.04Å; S157-L159 VanDerWaalsContact OG-N 3.15Å; L159-V163 HydrophobicContact CB-CB 4.4Å; L159-V163 HydrophobicContact CB-CG1 4.39Å; L159-V163 HydrophobicContact CD1-CG1 4.21Å; L159-V163 HydrophobicContact CD2-CG1 4.46Å; L159-Q164 HydrophobicContact CB-CG 4.04Å; L159-Q164 PolarHBondContact O-NE2 2.97Å; L159-I313 HydrophobicContact CD1-CG2 4.14Å; L159-D314 WeakPolarHBondContact CD1-OD1 3.28Å; L159-D314 VanDerWaalsContact CG-OD1 3.31Å; L159-D314 WeakPolarHBondContact CG-OD1 3.48Å; L159-Y317 HydrophobicContact CD1-CD1 4.22Å; L159-Y317 HydrophobicContact CD1-CD2 3.94Å; L159-Y317 HydrophobicContact CD1-CG 3.64Å; L159-Y317 HydrophobicContact CD2-CD1 3.83Å; L159-Y317 HydrophobicContact CD2-CD2 4.05Å; L159-Y317 HydrophobicContact CD2-CE1 3.91Å; L159-Y317 HydrophobicContact CD2-CE2 4.09Å; L159-Y317 HydrophobicContact CD2-CG 3.92Å; L159-Y317 HydrophobicContact CG-CG 4.44Å
160	P	96.2	Very high	82.9	Confident	67 Å²	67	88.2 Å²	88.2	44%	0.435	42%	0.417	S	S	.	.			trans	-54.4	145.8	169.6	-23.6	33.3	0	0	0	111.8	A162 V163 Q164 P326	P160-A162 VanDerWaalsContact C-N 3.28Å; P160-A162 PolarHBondContact O-N 2.8Å; P160-V163 HydrophobicContact CB-CG2 4.08Å; P160-V163 HydrophobicContact CG-CG2 4.13Å; P160-V163 WeakPolarHBondContact O-CB 3.33Å; P160-V163 PolarHBondContact O-N 2.75Å; P160-Q164 PolarHBondContact O-N 3.11Å; P160-P326 HydrophobicContact CB-CG 3.79Å; P160-P326 HydrophobicContact CG-CG 4.18Å
161	V	96	Very high	85.3	Confident	110 Å²	110	81 Å²	81	67%	0.667	39%	0.387	S	S	*	.	H	α-helix	trans	-56.9	-41.7	-176.2	177.8	0	0	0	0	111.9	V163 Q164 V165	V161-V163 VanDerWaalsContact C-N 3.32Å; V161-V163 PolarHBondContact O-N 2.94Å; V161-Q164 WeakPolarHBondContact O-CB 3.08Å; V161-Q164 PolarHBondContact O-N 3.05Å; V161-Q164 VanDerWaalsContact O-N 3.14Å; V161-V165 WeakPolarHBondContact O-CG2 3.39Å; V161-V165 PolarHBondContact O-N 2.88Å
162	A	96.6	Very high	87.5	Confident	23 Å²	23	74 Å²	74	19%	0.19	36%	0.36	C	S	.	.	H	α-helix	trans	-60.4	-39.6	177.2	0	0	0	0	0	112.4	P160 V165 L166 P326 F360	P160-A162 VanDerWaalsContact C-N 3.28Å; P160-A162 PolarHBondContact O-N 2.8Å; A162-V165 PolarHBondContact O-N 2.93Å; A162-L166 PolarHBondContact O-N 2.72Å; A162-P326 HydrophobicContact CB-CB 4.3Å; A162-P326 HydrophobicContact CB-CG 4.07Å; A162-F360 HydrophobicContact CB-CE1 3.73Å; A162-F360 HydrophobicContact CB-CZ 4.02Å
163	V	97.6	Very high	88.9	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-67.5	-40.9	174.9	-178.2	0	0	0	0	110.3	L159 P160 V161 V165 L166 I167 Y317 I324 P326 F360	L159-V163 HydrophobicContact CB-CB 4.4Å; L159-V163 HydrophobicContact CB-CG1 4.39Å; L159-V163 HydrophobicContact CD1-CG1 4.21Å; L159-V163 HydrophobicContact CD2-CG1 4.46Å; P160-V163 HydrophobicContact CB-CG2 4.08Å; P160-V163 HydrophobicContact CG-CG2 4.13Å; P160-V163 WeakPolarHBondContact O-CB 3.33Å; P160-V163 PolarHBondContact O-N 2.75Å; V161-V163 VanDerWaalsContact C-N 3.32Å; V161-V163 PolarHBondContact O-N 2.94Å; V163-V165 VanDerWaalsContact C-N 3.29Å; V163-V165 PolarHBondContact O-N 2.98Å; V163-L166 WeakPolarHBondContact O-CB 3.34Å; V163-L166 PolarHBondContact O-N 2.8Å; V163-I167 HydrophobicContact CG1-CG1 4.09Å; V163-I167 VanDerWaalsContact O-CG1 3.29Å; V163-I167 WeakPolarHBondContact O-CG1 3.37Å; V163-I167 PolarHBondContact O-N 2.92Å; V163-Y317 HydrophobicContact CG1-CD2 3.72Å; V163-Y317 HydrophobicContact CG1-CE2 3.83Å; V163-I324 WeakPolarHBondContact CG2-O 3.38Å; V163-P326 HydrophobicContact CG2-CG 3.69Å; V163-F360 HydrophobicContact CG2-CD1 4.3Å; V163-F360 HydrophobicContact CG2-CE1 4.18Å
164	Q	96.2	Very high	90.2	Very high	40 Å²	40	66.3 Å²	66.3	19%	0.187	33%	0.327	C	S	.	.	H	α-helix	trans	-60	-41.1	176	-63.4	179.1	44.8	0	0	112	S157 L159 P160 V161 K168 I313	S157-Q164 WeakPolarHBondContact OG-CG 3.49Å; L159-Q164 HydrophobicContact CB-CG 4.04Å; L159-Q164 PolarHBondContact O-NE2 2.97Å; P160-Q164 PolarHBondContact O-N 3.11Å; V161-Q164 WeakPolarHBondContact O-CB 3.08Å; V161-Q164 PolarHBondContact O-N 3.05Å; V161-Q164 VanDerWaalsContact O-N 3.14Å; Q164-K168 WeakPolarHBondContact O-CB 3.38Å; Q164-K168 VanDerWaalsContact O-CG 3.28Å; Q164-K168 WeakPolarHBondContact O-CG 3.45Å; Q164-K168 PolarHBondContact O-N 2.94Å; Q164-K168 VanDerWaalsContact O-N 3.09Å; Q164-I313 HydrophobicContact CB-CD1 4.3Å; Q164-I313 HydrophobicContact CB-CG2 4.33Å; Q164-I313 HydrophobicContact CG-CG2 4.27Å
165	V	96	Very high	91.2	Very high	63 Å²	63	57.8 Å²	57.8	38%	0.382	29%	0.29	S	S	.	.	H	α-helix	trans	-64.1	-44.8	175.4	172.6	0	0	0	0	110.7	V161 A162 V163 K168 L169	V161-V165 WeakPolarHBondContact O-CG2 3.39Å; V161-V165 PolarHBondContact O-N 2.88Å; A162-V165 PolarHBondContact O-N 2.93Å; V163-V165 VanDerWaalsContact C-N 3.29Å; V163-V165 PolarHBondContact O-N 2.98Å; V165-K168 PolarHBondContact O-N 3.41Å; V165-L169 WeakPolarHBondContact O-CB 3.37Å; V165-L169 PolarHBondContact O-N 3.18Å
166	L	97.1	Very high	91.4	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-59.6	-49.3	176.6	174.9	67.4	0	0	0	112.2	A162 V163 K168 L169 I170 I324 F360 L438 L527	A162-L166 PolarHBondContact O-N 2.72Å; V163-L166 WeakPolarHBondContact O-CB 3.34Å; V163-L166 PolarHBondContact O-N 2.8Å; L166-K168 VanDerWaalsContact C-N 3.33Å; L166-K168 PolarHBondContact O-N 2.95Å; L166-L169 WeakPolarHBondContact O-CB 3.41Å; L166-L169 PolarHBondContact O-N 2.91Å; L166-L169 VanDerWaalsContact O-N 3.1Å; L166-I170 HydrophobicContact CD1-CG2 4.18Å; L166-I170 PolarHBondContact O-N 3.07Å; L166-I324 HydrophobicContact CD2-CD1 4.06Å; L166-I324 HydrophobicContact CD2-CG2 3.78Å; L166-F360 HydrophobicContact CB-CE2 4.37Å; L166-F360 HydrophobicContact CB-CZ 4.03Å; L166-F360 HydrophobicContact CD1-CE2 4.45Å; L166-F360 HydrophobicContact CD2-CD1 4.45Å; L166-F360 HydrophobicContact CD2-CD2 4.12Å; L166-F360 HydrophobicContact CD2-CE1 4.4Å; L166-F360 HydrophobicContact CD2-CE2 4.08Å; L166-F360 HydrophobicContact CD2-CG 4.31Å; L166-F360 HydrophobicContact CD2-CZ 4.23Å; L166-L438 HydrophobicContact CD1-CD1 3.68Å; L166-L438 HydrophobicContact CD1-CD2 3.71Å; L166-L438 HydrophobicContact CD1-CG 4.37Å; L166-L527 HydrophobicContact CD1-CD2 3.86Å; L166-L527 HydrophobicContact CD2-CD2 3.68Å; L166-L527 HydrophobicContact CG-CD2 4.39Å
167	I	95.1	Very high	91.1	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-62.7	-41.9	-178.7	-64.7	-61.4	0	0	0	110.9	V163 L169 I170 C171 I313 N316 Y317 L320 I324	V163-I167 HydrophobicContact CG1-CG1 4.09Å; V163-I167 VanDerWaalsContact O-CG1 3.29Å; V163-I167 WeakPolarHBondContact O-CG1 3.37Å; V163-I167 PolarHBondContact O-N 2.92Å; I167-L169 VanDerWaalsContact C-N 3.31Å; I167-L169 PolarHBondContact O-N 2.76Å; I167-I170 HydrophobicContact CD1-CD1 4.16Å; I167-C171 WeakPolarHBondContact O-CB 3.36Å; I167-C171 PolarHBondContact O-N 2.89Å; I167-C171 PolarHBondContact O-SG 2.89Å; I167-I313 HydrophobicContact CB-CG2 3.79Å; I167-I313 HydrophobicContact CG1-CG2 4.29Å; I167-I313 HydrophobicContact CG2-CG2 3.69Å; I167-N316 HydrophobicContact CG2-CB 4.09Å; I167-Y317 HydrophobicContact CD1-CD2 4.15Å; I167-Y317 HydrophobicContact CG1-CD2 4.37Å; I167-L320 HydrophobicContact CD1-CD1 3.48Å; I167-L320 VanDerWaalsContact CD1-CD1 3.48Å; I167-I324 HydrophobicContact CD1-CD1 4.41Å
168	K	93	Very high	90.8	Very high	131 Å²	131	53.2 Å²	53.2	57%	0.57	27%	0.269	S	S	*	.	H	α-helix	trans	-60.2	-42.4	172.9	-73.9	176.9	-177.5	-174.7	0	112	Q164 V165 L166 D172 I313	Q164-K168 WeakPolarHBondContact O-CB 3.38Å; Q164-K168 VanDerWaalsContact O-CG 3.28Å; Q164-K168 WeakPolarHBondContact O-CG 3.45Å; Q164-K168 PolarHBondContact O-N 2.94Å; Q164-K168 VanDerWaalsContact O-N 3.09Å; V165-K168 PolarHBondContact O-N 3.41Å; L166-K168 VanDerWaalsContact C-N 3.33Å; L166-K168 PolarHBondContact O-N 2.95Å; K168-D172 PolarHBondContact O-N 2.93Å; K168-I313 HydrophobicContact CD-CD1 4.37Å; K168-I313 HydrophobicContact CG-CD1 4.18Å
169	L	94	Very high	90.3	Very high	39 Å²	39	42.6 Å²	42.6	20%	0.204	23%	0.23	C	C	.	.	H	α-helix	trans	-63	-46.6	-179.3	-177.9	66.6	0	0	0	112	V165 L166 I167 L386 V436 L438 K529	V165-L169 WeakPolarHBondContact O-CB 3.37Å; V165-L169 PolarHBondContact O-N 3.18Å; L166-L169 WeakPolarHBondContact O-CB 3.41Å; L166-L169 PolarHBondContact O-N 2.91Å; L166-L169 VanDerWaalsContact O-N 3.1Å; I167-L169 VanDerWaalsContact C-N 3.31Å; I167-L169 PolarHBondContact O-N 2.76Å; L169-L386 HydrophobicContact CD1-CD2 3.68Å; L169-L386 HydrophobicContact CD2-CD1 4.24Å; L169-L386 HydrophobicContact CG-CD1 3.91Å; L169-L386 HydrophobicContact CG-CD2 3.87Å; L169-V436 HydrophobicContact CD2-CG1 4.37Å; L169-L438 HydrophobicContact CD2-CD2 4.33Å; L169-K529 HydrophobicContact CD2-CD 4.33Å
170	I	93.2	Very high	89.6	Confident	2 Å²	2	41.3 Å²	41.3	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-79.3	-21.8	-178.1	67.4	178.5	0	0	0	113.4	L166 I167 M176 L320 L386 W389 V390 L393 L438	L166-I170 HydrophobicContact CD1-CG2 4.18Å; L166-I170 PolarHBondContact O-N 3.07Å; I167-I170 HydrophobicContact CD1-CD1 4.16Å; I170-M176 WeakPolarHBondContact O-CE 3.37Å; I170-L320 HydrophobicContact CD1-CD1 4.06Å; I170-L386 HydrophobicContact CG2-CD1 3.98Å; I170-W389 HydrophobicContact CB-CB 4.27Å; I170-W389 HydrophobicContact CG2-CB 3.76Å; I170-V390 HydrophobicContact CB-CG2 4.11Å; I170-V390 HydrophobicContact CD1-CG2 4.16Å; I170-V390 HydrophobicContact CG1-CG2 3.97Å; I170-V390 WeakPolarHBondContact O-CG2 3.35Å; I170-L393 HydrophobicContact CD1-CD1 3.82Å; I170-L438 HydrophobicContact CG2-CD1 3.38Å
171	C	88.6	Confident	89	Confident	18 Å²	18	42 Å²	42	12%	0.122	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	18.2	177.9	-58.6	0	0	0	0	112.7	I167 F173 L302	I167-C171 WeakPolarHBondContact O-CB 3.36Å; I167-C171 PolarHBondContact O-N 2.89Å; I167-C171 PolarHBondContact O-SG 2.89Å; C171-F173 WeakPolarHBondContact O-CD2 3.18Å; C171-F173 PolarHBondContact O-N 2.59Å; C171-L302 HydrophobicContact CB-CD1 4.05Å; C171-L302 HydrophobicContact CB-CD2 4.48Å
172	D	86.4	Confident	88.4	Confident	64 Å²	64	41.1 Å²	41.1	34%	0.342	22%	0.215	S	C	.	.			trans	-79.6	102.4	175.9	-173.1	-8.5	0	0	0	110.7	K168 S174 N175 M176	K168-D172 PolarHBondContact O-N 2.93Å; D172-S174 VanDerWaalsContact C-N 3.29Å; D172-S174 PolarHBondContact O-N 2.84Å; D172-S174 WeakPolarHBondContact OD1-CA 3.08Å; D172-S174 VanDerWaalsContact OD1-CB 3.25Å; D172-S174 WeakPolarHBondContact OD1-CB 3.48Å; D172-S174 PolarHBondContact OD1-N 2.67Å; D172-S174 PolarHBondContact OD1-OG 3.47Å; D172-N175 HydrophobicContact CB-CB 4.13Å; D172-N175 PolarHBondContact O-N 3.4Å; D172-N175 PolarHBondContact OD1-N 2.98Å; D172-M176 WeakPolarHBondContact O-CG 3.31Å; D172-M176 PolarHBondContact O-N 2.8Å
173	F	81.5	Confident	87.7	Confident	59 Å²	59	40.8 Å²	40.8	26%	0.259	21%	0.21	S	C	.	.	H	α-helix	trans	-68.7	-25.8	176.9	-64.4	-97.1	0	0	0	113.3	F14 C171 N175 M176 E177 V299 L302	F14-F173 HydrophobicContact CE1-CB 3.27Å; F14-F173 HydrophobicContact CE1-CD1 4.33Å; F14-F173 AromaticContact CE1-CD2 3.91Å; F14-F173 HydrophobicContact CE1-CD2 3.91Å; F14-F173 AromaticContact CE1-CG 3.6Å; F14-F173 HydrophobicContact CE1-CG 3.6Å; F14-F173 HydrophobicContact CZ-CB 3.44Å; F14-F173 VanDerWaalsContact CZ-CB 3.44Å; F14-F173 AromaticContact CZ-CD2 3.54Å; F14-F173 HydrophobicContact CZ-CD2 3.54Å; F14-F173 HydrophobicContact CZ-CE2 4.49Å; F14-F173 AromaticContact CZ-CG 3.69Å; F14-F173 HydrophobicContact CZ-CG 3.69Å; C171-F173 WeakPolarHBondContact O-CD2 3.18Å; C171-F173 PolarHBondContact O-N 2.59Å; F173-N175 VanDerWaalsContact C-N 3.27Å; F173-N175 PolarHBondContact O-N 3.02Å; F173-M176 HydrophobicContact CD1-SD 4.18Å; F173-M176 WeakPolarHBondContact O-CA 3.42Å; F173-M176 WeakPolarHBondContact O-CB 3.13Å; F173-M176 PolarHBondContact O-N 3.43Å; F173-M176 VanDerWaalsContact O-N 3.12Å; F173-E177 WeakPolarHBondContact O-CG 3.48Å; F173-E177 PolarHBondContact O-N 2.91Å; F173-V299 HydrophobicContact CD1-CG2 4.37Å; F173-V299 HydrophobicContact CE1-CG2 3.84Å; F173-L302 HydrophobicContact CE1-CD1 4.47Å; F173-L302 HydrophobicContact CE2-CD1 4.01Å; F173-L302 HydrophobicContact CZ-CB 4.1Å; F173-L302 HydrophobicContact CZ-CD1 3.7Å
174	S	81.9	Confident	87.2	Confident	54 Å²	54	46 Å²	46	38%	0.378	23%	0.233	S	C	.	.	H	α-helix	trans	-63.8	-41.3	176.9	-46.6	0	0	0	0	109.5	D172 E177 Q178	D172-S174 VanDerWaalsContact C-N 3.29Å; D172-S174 PolarHBondContact O-N 2.84Å; D172-S174 WeakPolarHBondContact OD1-CA 3.08Å; D172-S174 VanDerWaalsContact OD1-CB 3.25Å; D172-S174 WeakPolarHBondContact OD1-CB 3.48Å; D172-S174 PolarHBondContact OD1-N 2.67Å; D172-S174 PolarHBondContact OD1-OG 3.47Å; S174-E177 PolarHBondContact O-N 2.72Å; S174-Q178 PolarHBondContact O-N 3.18Å
175	N	83.4	Confident	86.6	Confident	20 Å²	20	44.4 Å²	44.4	11%	0.107	23%	0.225	C	C	.	.	H	α-helix	trans	-64.9	-38.5	171.7	178.7	69	0	0	0	112.1	D172 F173 E177 Q178 V179	D172-N175 HydrophobicContact CB-CB 4.13Å; D172-N175 PolarHBondContact O-N 3.4Å; D172-N175 PolarHBondContact OD1-N 2.98Å; F173-N175 VanDerWaalsContact C-N 3.27Å; F173-N175 PolarHBondContact O-N 3.02Å; N175-E177 VanDerWaalsContact C-N 3.34Å; N175-E177 PolarHBondContact O-N 3.07Å; N175-Q178 PolarHBondContact O-N 2.8Å; N175-V179 WeakPolarHBondContact O-CG2 3.07Å; N175-V179 PolarHBondContact O-N 3.4Å
176	M	84.6	Confident	85.7	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-61	-40.4	173	-61.6	176.9	-175.6	0	0	112.4	I170 D172 F173 T180 L192 I295 A298 T387	I170-M176 WeakPolarHBondContact O-CE 3.37Å; D172-M176 WeakPolarHBondContact O-CG 3.31Å; D172-M176 PolarHBondContact O-N 2.8Å; F173-M176 HydrophobicContact CD1-SD 4.18Å; F173-M176 WeakPolarHBondContact O-CA 3.42Å; F173-M176 WeakPolarHBondContact O-CB 3.13Å; F173-M176 PolarHBondContact O-N 3.43Å; F173-M176 VanDerWaalsContact O-N 3.12Å; M176-T180 WeakPolarHBondContact O-CG2 3.24Å; M176-T180 PolarHBondContact O-N 2.81Å; M176-T180 VanDerWaalsContact O-N 3.16Å; M176-T180 PolarHBondContact O-OG1 2.83Å; M176-L192 HydrophobicContact CB-CD1 3.69Å; M176-I295 HydrophobicContact CB-CD1 4.1Å; M176-I295 HydrophobicContact CB-CG1 4.22Å; M176-I295 HydrophobicContact CG-CG1 4.15Å; M176-I295 HydrophobicContact SD-CG1 4.27Å; M176-I295 HydrophobicContact SD-CG2 4.18Å; M176-A298 HydrophobicContact CE-CB 3.93Å; M176-T387 HydrophobicContact CB-CG2 4.18Å; M176-T387 HydrophobicContact CG-CG2 3.89Å
177	E	80	Confident	84.6	Confident	93 Å²	93	42.9 Å²	42.9	44%	0.435	22%	0.216	S	C	.	.	H	α-helix	trans	-66.4	-40.6	175.4	-73.1	-175.5	-177.7	0	0	112	F173 S174 N175 T180 T181 L192	F173-E177 WeakPolarHBondContact O-CG 3.48Å; F173-E177 PolarHBondContact O-N 2.91Å; S174-E177 PolarHBondContact O-N 2.72Å; N175-E177 VanDerWaalsContact C-N 3.34Å; N175-E177 PolarHBondContact O-N 3.07Å; E177-T180 WeakPolarHBondContact CA-OG1 3.47Å; E177-T180 PolarHBondContact O-OG1 2.97Å; E177-T181 VanDerWaalsContact O-CB 3.31Å; E177-T181 WeakPolarHBondContact O-CB 3.43Å; E177-T181 PolarHBondContact O-N 3.43Å; E177-T181 PolarHBondContact O-OG1 3.33Å; E177-L192 HydrophobicContact CB-CD1 4.19Å; E177-L192 HydrophobicContact CG-CD1 3.49Å; E177-L192 VanDerWaalsContact CG-CD1 3.49Å; E177-L192 HydrophobicContact CG-CG 4.27Å
178	Q	82.9	Confident	83.3	Confident	72 Å²	72	51.3 Å²	51.3	34%	0.336	25%	0.248	S	C	.	.	H	α-helix	trans	-61.5	-52.2	176	-176.1	-179.2	-15.4	0	0	111.3	S174 N175 T180 T181 E182 N434	S174-Q178 PolarHBondContact O-N 3.18Å; N175-Q178 PolarHBondContact O-N 2.8Å; Q178-T180 VanDerWaalsContact C-N 3.35Å; Q178-T180 PolarHBondContact O-N 2.65Å; Q178-T181 WeakPolarHBondContact O-CB 3.43Å; Q178-T181 PolarHBondContact O-N 2.85Å; Q178-T181 VanDerWaalsContact O-N 3.16Å; Q178-E182 HydrophobicContact CG-CG 4.48Å; Q178-E182 WeakPolarHBondContact CG-OE1 3.4Å; Q178-E182 PolarHBondContact NE2-OE1 2.92Å; Q178-E182 WeakPolarHBondContact O-CG 3.43Å; Q178-E182 PolarHBondContact O-N 3.22Å; Q178-N434 VanDerWaalsContact CD-ND2 3.29Å; Q178-N434 PolarHBondContact NE2-ND2 2.78Å; Q178-N434 PolarHBondContact OE1-ND2 2.65Å
179	V	81.8	Confident	82	Confident	10 Å²	10	45.6 Å²	45.6	6%	0.061	22%	0.222	C	C	.	.	H	α-helix	trans	-61.2	-42.3	-177.4	167.9	0	0	0	0	112	N175 T181 E182 L183 T387	N175-V179 WeakPolarHBondContact O-CG2 3.07Å; N175-V179 PolarHBondContact O-N 3.4Å; V179-T181 VanDerWaalsContact C-N 3.34Å; V179-E182 WeakPolarHBondContact O-CB 3.4Å; V179-E182 PolarHBondContact O-N 3.47Å; V179-L183 HydrophobicContact CG1-CD1 3.88Å; V179-L183 WeakPolarHBondContact O-CD1 3.47Å; V179-L183 VanDerWaalsContact O-CG 3.24Å; V179-L183 WeakPolarHBondContact O-CG 3.34Å; V179-L183 PolarHBondContact O-N 2.55Å; V179-T387 HydrophobicContact CB-CG2 3.79Å; V179-T387 HydrophobicContact CG1-CG2 4.02Å; V179-T387 HydrophobicContact CG2-CG2 3.83Å
180	T	80.2	Confident	80.7	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-68.3	-35.3	177.7	46	0	0	0	0	112.6	M176 E177 Q178 L183 K184 Y185 T187 L192 L292 I295	M176-T180 WeakPolarHBondContact O-CG2 3.24Å; M176-T180 PolarHBondContact O-N 2.81Å; M176-T180 VanDerWaalsContact O-N 3.16Å; M176-T180 PolarHBondContact O-OG1 2.83Å; E177-T180 WeakPolarHBondContact CA-OG1 3.47Å; E177-T180 PolarHBondContact O-OG1 2.97Å; Q178-T180 VanDerWaalsContact C-N 3.35Å; Q178-T180 PolarHBondContact O-N 2.65Å; T180-L183 CarbonylContact O-C 3.48Å; T180-L183 PolarHBondContact O-N 2.95Å; T180-K184 PolarHBondContact O-N 2.79Å; T180-Y185 WeakPolarHBondContact O-CB 3.3Å; T180-Y185 PolarHBondContact O-N 2.95Å; T180-T187 WeakPolarHBondContact OG1-CG2 3.32Å; T180-L192 HydrophobicContact CG2-CD2 3.52Å; T180-L192 WeakPolarHBondContact OG1-CD2 3.49Å; T180-L292 HydrophobicContact CG2-CD2 3.99Å; T180-I295 HydrophobicContact CG2-CD1 3.43Å; T180-I295 VanDerWaalsContact CG2-CD1 3.43Å
181	T	82.6	Confident	79.2	Confident	81 Å²	81	45.9 Å²	45.9	50%	0.497	23%	0.227	S	C	.	.	H	α-helix	trans	-64.8	-43.4	171.7	-57.1	0	0	0	0	111.5	E177 Q178 V179 L183 K184	E177-T181 VanDerWaalsContact O-CB 3.31Å; E177-T181 WeakPolarHBondContact O-CB 3.43Å; E177-T181 PolarHBondContact O-N 3.43Å; E177-T181 PolarHBondContact O-OG1 3.33Å; Q178-T181 WeakPolarHBondContact O-CB 3.43Å; Q178-T181 PolarHBondContact O-N 2.85Å; Q178-T181 VanDerWaalsContact O-N 3.16Å; V179-T181 VanDerWaalsContact C-N 3.34Å; T181-L183 PolarHBondContact O-N 2.95Å; T181-K184 WeakPolarHBondContact O-CA 3.4Å; T181-K184 PolarHBondContact O-N 3.35Å
182	E	83.2	Confident	77.6	Confident	92 Å²	92	46 Å²	46	43%	0.43	23%	0.226	S	C	.	.	H	α-helix	trans	-58.5	-37.3	174.3	-73.2	171.6	-172.9	0	0	111.9	Q178 V179 K184	Q178-E182 HydrophobicContact CG-CG 4.48Å; Q178-E182 WeakPolarHBondContact CG-OE1 3.4Å; Q178-E182 PolarHBondContact NE2-OE1 2.92Å; Q178-E182 WeakPolarHBondContact O-CG 3.43Å; Q178-E182 PolarHBondContact O-N 3.22Å; V179-E182 WeakPolarHBondContact O-CB 3.4Å; V179-E182 PolarHBondContact O-N 3.47Å; E182-K184 PolarHBondContact O-N 2.78Å
183	L	83.1	Confident	76.4	Confident	17 Å²	17	43.2 Å²	43.2	9%	0.089	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	6.4	175.6	-63	165.3	0	0	0	113.5	V179 T180 T181 Y185 L288 A291	V179-L183 HydrophobicContact CG1-CD1 3.88Å; V179-L183 WeakPolarHBondContact O-CD1 3.47Å; V179-L183 VanDerWaalsContact O-CG 3.24Å; V179-L183 WeakPolarHBondContact O-CG 3.34Å; V179-L183 PolarHBondContact O-N 2.55Å; T180-L183 CarbonylContact O-C 3.48Å; T180-L183 PolarHBondContact O-N 2.95Å; T181-L183 PolarHBondContact O-N 2.95Å; L183-Y185 VanDerWaalsContact C-N 3.3Å; L183-Y185 PolarHBondContact O-N 3.01Å; L183-L288 HydrophobicContact CB-CB 4.36Å; L183-L288 HydrophobicContact CB-CD1 3.62Å; L183-L288 HydrophobicContact CB-CG 4.42Å; L183-L288 HydrophobicContact CD1-CB 4.4Å; L183-L288 HydrophobicContact CD1-CD1 4.02Å; L183-L288 HydrophobicContact CG-CD1 4.43Å; L183-A291 HydrophobicContact CD1-CB 4.14Å
184	K	85.8	Confident	76	Confident	110 Å²	110	41.5 Å²	41.5	48%	0.478	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	26.7	177.8	-53.7	178.5	-179	171.6	0	114	T180 T181 E182 H266 D267	T180-K184 PolarHBondContact O-N 2.79Å; T181-K184 WeakPolarHBondContact O-CA 3.4Å; T181-K184 PolarHBondContact O-N 3.35Å; E182-K184 PolarHBondContact O-N 2.78Å; K184-H266 CarbonylContact O-C 3.54Å; K184-H266 WeakPolarHBondContact O-CA 3.2Å; K184-D267 PolarHBondContact O-N 3.38Å
185	Y	84.5	Confident	76	Confident	6 Å²	6	39.1 Å²	39.1	2%	0.024	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-82.8	137.6	174.5	-179.5	-103	0	0	0	111.1	T180 L183 T187 A190 L195 I264 P265 L292	T180-Y185 WeakPolarHBondContact O-CB 3.3Å; T180-Y185 PolarHBondContact O-N 2.95Å; L183-Y185 VanDerWaalsContact C-N 3.3Å; L183-Y185 PolarHBondContact O-N 3.01Å; Y185-T187 HydrophobicContact CD1-CG2 3.93Å; Y185-T187 PolarHBondContact O-N 3.47Å; Y185-A190 HydrophobicContact CE1-CB 4.3Å; Y185-A190 VanDerWaalsContact CE1-O 3.25Å; Y185-A190 WeakPolarHBondContact CE1-O 3.13Å; Y185-A190 WeakPolarHBondContact OH-CB 3.43Å; Y185-A190 PolarHBondContact OH-O 2.62Å; Y185-L195 HydrophobicContact CE2-CD2 4.33Å; Y185-I264 HydrophobicContact CD2-CG2 4.06Å; Y185-I264 HydrophobicContact CE2-CG2 4.23Å; Y185-P265 WeakPolarHBondContact CD2-O 3.03Å; Y185-L292 HydrophobicContact CD1-CD2 3.84Å; Y185-L292 HydrophobicContact CD2-CD1 3.85Å; Y185-L292 HydrophobicContact CD2-CD2 4.1Å; Y185-L292 HydrophobicContact CE1-CD2 3.84Å; Y185-L292 HydrophobicContact CE2-CD1 3.85Å; Y185-L292 HydrophobicContact CE2-CD2 4.09Å; Y185-L292 HydrophobicContact CG-CD1 4.45Å; Y185-L292 HydrophobicContact CG-CD2 3.97Å
186	D	77.8	Confident	76.2	Confident	5 Å²	5	38.4 Å²	38.4	3%	0.027	19%	0.185	C	C	.	.			trans	-78.9	79.7	-180	-171.3	-5.1	0	0	0	111.9	V85 G86 R188 R189 A190 P265	V85-D186 HydrophobicContact CG1-CB 3.72Å; V85-D186 WeakPolarHBondContact CG1-OD2 3.25Å; G86-D186 PolarHBondContact N-OD2 3.31Å; D186-R188 PolarHBondContact O-N 2.96Å; D186-R188 PolarHBondContact OD1-N 2.97Å; D186-R189 PolarHBondContact O-N 2.81Å; D186-R189 PolarHBondContact OD1-N 3.35Å; D186-R189 IonicContact OD2-NH1 3.94Å; D186-R189 PolarHBondContact OD2-NH1 3.04Å; D186-R189 VanDerWaalsContact OD2-NH1 3.07Å; D186-A190 PolarHBondContact O-N 3.06Å; D186-P265 HydrophobicContact CB-CB 4.28Å; D186-P265 PolarHBondContact N-O 3.03Å
187	T	72.2	Confident	76.4	Confident	26 Å²	26	43.7 Å²	43.7	16%	0.16	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-22.3	177.5	54.7	0	0	0	0	114	T180 Y185 R189 P191 L192	T180-T187 WeakPolarHBondContact OG1-CG2 3.32Å; Y185-T187 HydrophobicContact CD1-CG2 3.93Å; Y185-T187 PolarHBondContact O-N 3.47Å; T187-R189 VanDerWaalsContact C-N 3.31Å; T187-R189 PolarHBondContact O-N 3.45Å; T187-P191 WeakPolarHBondContact O-CA 3.34Å; T187-L192 HydrophobicContact CG2-CD2 3.88Å; T187-L192 HydrophobicContact CG2-CG 4.32Å
188	R	69.3	Low	76.9	Confident	177 Å²	177	41.7 Å²	41.7	67%	0.668	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-26.2	-176.2	-64.6	-178.1	179.9	-174.8	-0.5	112.7	D186	D186-R188 PolarHBondContact O-N 2.96Å; D186-R188 PolarHBondContact OD1-N 2.97Å
189	R	66.1	Low	77.3	Confident	11 Å²	11	38.8 Å²	38.8	4%	0.042	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.8	-28.8	-173.8	-58.3	-161.9	-172.1	118	-18.7	113.9	M49 Y62 R84 K87 D186 T187 P191	M49-R189 HydrophobicContact CE-CB 3.92Å; M49-R189 VanDerWaalsContact SD-O 3.35Å; Y62-R189 VanDerWaalsContact CD2-CD 3.5Å; Y62-R189 VanDerWaalsContact CE1-NH1 3.34Å; Y62-R189 VanDerWaalsContact CE2-CD 3.48Å; Y62-R189 PolarHBondContact OH-NE 3Å; Y62-R189 PolarHBondContact OH-NH2 2.96Å; R84-R189 PolarHBondContact O-NH1 3.09Å; R84-R189 PolarHBondContact O-NH2 2.78Å; K87-R189 PolarHBondContact O-NH2 3.21Å; D186-R189 PolarHBondContact O-N 2.81Å; D186-R189 PolarHBondContact OD1-N 3.35Å; D186-R189 IonicContact OD2-NH1 3.94Å; D186-R189 PolarHBondContact OD2-NH1 3.04Å; D186-R189 VanDerWaalsContact OD2-NH1 3.07Å; T187-R189 VanDerWaalsContact C-N 3.31Å; T187-R189 PolarHBondContact O-N 3.45Å; R189-P191 VanDerWaalsContact C-CD 3.49Å; R189-P191 WeakPolarHBondContact O-CD 3.16Å
190	A	65.3	Low	77.9	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.189	C	C	.	.	S	Bend	trans	-110	81.3	164.2	0	0	0	0	0	107.9	M49 M137 Y185 D186	M49-A190 HydrophobicContact CE-CB 4.05Å; M49-A190 HydrophobicContact SD-CB 3.97Å; M137-A190 HydrophobicContact CE-CB 4.06Å; M137-A190 HydrophobicContact SD-CB 4.26Å; Y185-A190 HydrophobicContact CE1-CB 4.3Å; Y185-A190 VanDerWaalsContact CE1-O 3.25Å; Y185-A190 WeakPolarHBondContact CE1-O 3.13Å; Y185-A190 WeakPolarHBondContact OH-CB 3.43Å; Y185-A190 PolarHBondContact OH-O 2.62Å; D186-A190 PolarHBondContact O-N 3.06Å
191	P	62	Low	78.5	Confident	48 Å²	48	44.9 Å²	44.9	31%	0.312	21%	0.213	S	C	.	.			trans	-58.1	153.9	-173.8	-18.4	30.5	0	0	0	111.6	T187 R189 G193 K194	T187-P191 WeakPolarHBondContact O-CA 3.34Å; R189-P191 VanDerWaalsContact C-CD 3.49Å; R189-P191 WeakPolarHBondContact O-CD 3.16Å; P191-G193 PolarHBondContact O-N 2.61Å; P191-K194 HydrophobicContact CB-CG 3.9Å; P191-K194 HydrophobicContact CG-CG 4.38Å; P191-K194 VanDerWaalsContact O-CB 3.23Å; P191-K194 WeakPolarHBondContact O-CB 3.49Å; P191-K194 WeakPolarHBondContact O-CG 3.43Å; P191-K194 PolarHBondContact O-N 2.75Å; P191-K194 VanDerWaalsContact O-N 3.07Å
192	L	56.2	Low	79.1	Confident	20 Å²	20	41.8 Å²	41.8	11%	0.105	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	137.5	-177.6	-67	-173.8	0	0	0	113.2	M176 E177 T180 T187 K194 I295	M176-L192 HydrophobicContact CB-CD1 3.69Å; E177-L192 HydrophobicContact CB-CD1 4.19Å; E177-L192 HydrophobicContact CG-CD1 3.49Å; E177-L192 VanDerWaalsContact CG-CD1 3.49Å; E177-L192 HydrophobicContact CG-CG 4.27Å; T180-L192 HydrophobicContact CG2-CD2 3.52Å; T180-L192 WeakPolarHBondContact OG1-CD2 3.49Å; T187-L192 HydrophobicContact CG2-CD2 3.88Å; T187-L192 HydrophobicContact CG2-CG 4.32Å; L192-K194 PolarHBondContact O-N 2.89Å; L192-I295 HydrophobicContact CB-CG2 3.87Å; L192-I295 HydrophobicContact CD1-CG2 4.29Å; L192-I295 HydrophobicContact CD2-CG2 4.19Å; L192-I295 HydrophobicContact CG-CG2 4.37Å
193	G	60.4	Low	79.7	Confident	6 Å²	6	37.4 Å²	37.4	6%	0.062	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	28.3	-176.4	0	0	0	0	0	114.2	P191 K303	P191-G193 PolarHBondContact O-N 2.61Å; G193-K303 PolarHBondContact O-NZ 2.91Å
194	K	73.5	Confident	80.3	Confident	22 Å²	22	37 Å²	37	10%	0.096	17%	0.173	C	C	.	.			trans	-112	-6.9	166.8	-53.4	-69.5	-177.9	161.8	0	112	M137 D138 Y139 Q142 P191 L192	M137-K194 CarbonylContact C-O 3.45Å; M137-K194 WeakPolarHBondContact CA-O 3.44Å; M137-K194 HydrophobicContact CE-CB 3.5Å; D138-K194 PolarHBondContact N-O 2.97Å; D138-K194 WeakPolarHBondContact O-CA 3.39Å; D138-K194 WeakPolarHBondContact O-CD 3.49Å; Y139-K194 HydrophobicContact CD1-CD 3.86Å; Y139-K194 HydrophobicContact CD1-CG 4.43Å; Y139-K194 PolarHBondContact O-NZ 3.31Å; Q142-K194 VanDerWaalsContact NE2-NZ 3.13Å; P191-K194 HydrophobicContact CB-CG 3.9Å; P191-K194 HydrophobicContact CG-CG 4.38Å; P191-K194 VanDerWaalsContact O-CB 3.23Å; P191-K194 WeakPolarHBondContact O-CB 3.49Å; P191-K194 WeakPolarHBondContact O-CG 3.43Å; P191-K194 PolarHBondContact O-N 2.75Å; P191-K194 VanDerWaalsContact O-N 3.07Å; L192-K194 PolarHBondContact O-N 2.89Å
195	L	82.3	Confident	80.9	Confident	4 Å²	4	34.5 Å²	34.5	2%	0.021	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-74.7	126.7	169.3	-162.5	68.4	0	0	0	108.2	V135 M137 Y185 Q199 I200 I264 L292	V135-L195 HydrophobicContact CG1-CD1 3.65Å; M137-L195 HydrophobicContact SD-CD1 4.44Å; Y185-L195 HydrophobicContact CE2-CD2 4.33Å; L195-Q199 HydrophobicContact CD1-CB 3.91Å; L195-Q199 HydrophobicContact CD1-CG 3.44Å; L195-Q199 VanDerWaalsContact CD1-CG 3.44Å; L195-Q199 HydrophobicContact CD2-CG 4.42Å; L195-Q199 HydrophobicContact CG-CB 3.94Å; L195-Q199 HydrophobicContact CG-CG 3.94Å; L195-I200 HydrophobicContact CD2-CD1 4.43Å; L195-I200 HydrophobicContact CD2-CG1 3.61Å; L195-I200 HydrophobicContact CG-CG1 4.13Å; L195-I264 HydrophobicContact CD2-CD1 4.06Å; L195-L292 HydrophobicContact CD2-CD1 4.16Å
196	S	85.8	Confident	81.4	Confident	6 Å²	6	34.4 Å²	34.4	4%	0.042	17%	0.167	C	C	.	.			trans	-66.7	155.2	178.1	62.8	0	0	0	0	112.1	E136 S198 Q199 I200	E136-S196 WeakPolarHBondContact CB-OG 3.38Å; E136-S196 WeakPolarHBondContact CG-OG 3.46Å; E136-S196 WeakPolarHBondContact O-CB 3.43Å; E136-S196 PolarHBondContact O-N 2.67Å; E136-S196 PolarHBondContact O-OG 2.94Å; S196-S198 VanDerWaalsContact C-N 3.26Å; S196-S198 WeakPolarHBondContact CB-OG 3.49Å; S196-S198 PolarHBondContact O-N 3.14Å; S196-S198 PolarHBondContact OG-OG 2.65Å; S196-Q199 PolarHBondContact O-N 3.5Å; S196-Q199 VanDerWaalsContact O-N 3.13Å; S196-Q199 VanDerWaalsContact OG-CB 3.24Å; S196-Q199 WeakPolarHBondContact OG-CB 3.32Å; S196-Q199 PolarHBondContact OG-N 3.29Å; S196-Q199 VanDerWaalsContact OG-N 3.15Å; S196-I200 PolarHBondContact O-N 3.49Å; S196-I200 VanDerWaalsContact O-N 3.12Å
197	K	88.6	Confident	82.3	Confident	112 Å²	112	34.1 Å²	34.1	49%	0.487	17%	0.165	S	C	.	.	H	α-helix	trans	-59.1	-37.9	174.3	-67.9	178.9	-177	173	0	112.2	I200 R201 E296	K197-I200 PolarHBondContact O-N 3.46Å; K197-R201 WeakPolarHBondContact O-CG 3.46Å; K197-R201 PolarHBondContact O-N 2.87Å; K197-E296 VanDerWaalsContact CE-CD 3.49Å; K197-E296 WeakPolarHBondContact CE-OE1 3.24Å; K197-E296 WeakPolarHBondContact CE-OE2 3.48Å; K197-E296 WeakPolarHBondContact CG-OE2 3.45Å
198	S	91	Very high	83.5	Confident	51 Å²	51	34.9 Å²	34.9	36%	0.357	17%	0.168	S	C	.	.	H	α-helix	trans	-60.4	-43.9	174.1	36.9	0	0	0	0	111.4	E136 S196 I200 R201 A202	E136-S198 VanDerWaalsContact CD-OG 3.27Å; E136-S198 WeakPolarHBondContact OE2-CB 3.47Å; E136-S198 PolarHBondContact OE2-OG 3.13Å; S196-S198 VanDerWaalsContact C-N 3.26Å; S196-S198 WeakPolarHBondContact CB-OG 3.49Å; S196-S198 PolarHBondContact O-N 3.14Å; S196-S198 PolarHBondContact OG-OG 2.65Å; S198-I200 PolarHBondContact O-N 2.95Å; S198-R201 PolarHBondContact O-N 3.13Å; S198-A202 WeakPolarHBondContact O-CB 3.43Å; S198-A202 PolarHBondContact O-N 3.39Å
199	Q	92.4	Very high	84.8	Confident	10 Å²	10	31.3 Å²	31.3	5%	0.047	16%	0.158	C	C	.	.	H	α-helix	trans	-64.9	-39	177.5	-166.4	68.6	29.2	0	0	112.4	V135 E136 L195 S196 A202 G203 R263	V135-Q199 HydrophobicContact CG1-CG 4.12Å; E136-Q199 HydrophobicContact CB-CB 4.48Å; L195-Q199 HydrophobicContact CD1-CB 3.91Å; L195-Q199 HydrophobicContact CD1-CG 3.44Å; L195-Q199 VanDerWaalsContact CD1-CG 3.44Å; L195-Q199 HydrophobicContact CD2-CG 4.42Å; L195-Q199 HydrophobicContact CG-CB 3.94Å; L195-Q199 HydrophobicContact CG-CG 3.94Å; S196-Q199 PolarHBondContact O-N 3.5Å; S196-Q199 VanDerWaalsContact O-N 3.13Å; S196-Q199 VanDerWaalsContact OG-CB 3.24Å; S196-Q199 WeakPolarHBondContact OG-CB 3.32Å; S196-Q199 PolarHBondContact OG-N 3.29Å; S196-Q199 VanDerWaalsContact OG-N 3.15Å; Q199-A202 PolarHBondContact O-N 3.08Å; Q199-G203 PolarHBondContact O-N 3.28Å; Q199-R263 PolarHBondContact NE2-O 3.4Å
200	I	92.9	Very high	86.3	Confident	4 Å²	4	30.8 Å²	30.8	2%	0.021	16%	0.156	C	C	.	.	H	α-helix	trans	-62.9	-46	173.7	-64.4	170.9	0	0	0	110.8	L195 S196 K197 S198 A202 G203 Y204 L289 L292 E296	L195-I200 HydrophobicContact CD2-CD1 4.43Å; L195-I200 HydrophobicContact CD2-CG1 3.61Å; L195-I200 HydrophobicContact CG-CG1 4.13Å; S196-I200 PolarHBondContact O-N 3.49Å; S196-I200 VanDerWaalsContact O-N 3.12Å; K197-I200 PolarHBondContact O-N 3.46Å; S198-I200 PolarHBondContact O-N 2.95Å; I200-A202 VanDerWaalsContact C-N 3.31Å; I200-A202 PolarHBondContact O-N 3.07Å; I200-G203 WeakPolarHBondContact O-CA 3.32Å; I200-G203 PolarHBondContact O-N 3.08Å; I200-G203 VanDerWaalsContact O-N 3.09Å; I200-Y204 HydrophobicContact CG2-CD2 4.12Å; I200-Y204 HydrophobicContact CG2-CE2 3.82Å; I200-Y204 WeakPolarHBondContact O-CD2 3.37Å; I200-Y204 PolarHBondContact O-N 3.07Å; I200-L289 HydrophobicContact CG2-CB 4.43Å; I200-L289 HydrophobicContact CG2-CD2 4.27Å; I200-L292 HydrophobicContact CD1-CB 4.2Å; I200-E296 HydrophobicContact CD1-CB 4.42Å
201	R	94.5	Very high	87.7	Confident	134 Å²	134	30.9 Å²	30.9	51%	0.506	16%	0.157	S	C	.	.	H	α-helix	trans	-61.1	-38.4	174.8	-72.2	179.9	-171.9	168.6	0.2	112.6	K197 S198 G203 Y204 T205	K197-R201 WeakPolarHBondContact O-CG 3.46Å; K197-R201 PolarHBondContact O-N 2.87Å; S198-R201 PolarHBondContact O-N 3.13Å; R201-G203 VanDerWaalsContact C-N 3.28Å; R201-G203 PolarHBondContact O-N 2.88Å; R201-Y204 WeakPolarHBondContact O-CB 3.37Å; R201-Y204 PolarHBondContact O-N 3.41Å; R201-T205 PolarHBondContact O-N 3.02Å; R201-T205 PolarHBondContact O-OG1 3.25Å
202	A	94	Very high	89.3	Confident	17 Å²	17	33.1 Å²	33.1	14%	0.14	16%	0.163	C	C	.	.	H	α-helix	trans	-64.9	-36	174.9	0	0	0	0	0	111.3	S198 Q199 I200 T205 A206 R263	S198-A202 WeakPolarHBondContact O-CB 3.43Å; S198-A202 PolarHBondContact O-N 3.39Å; Q199-A202 PolarHBondContact O-N 3.08Å; I200-A202 VanDerWaalsContact C-N 3.31Å; I200-A202 PolarHBondContact O-N 3.07Å; A202-T205 PolarHBondContact O-N 3.28Å; A202-A206 PolarHBondContact O-N 3.18Å; A202-R263 VanDerWaalsContact O-CD 3.24Å; A202-R263 WeakPolarHBondContact O-CD 3.44Å
203	G	95.9	Very high	91.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-58.8	-48.7	168.7	0	0	0	0	0	112.7	Q199 I200 R201 T205 A206 L207 F260	Q199-G203 PolarHBondContact O-N 3.28Å; I200-G203 WeakPolarHBondContact O-CA 3.32Å; I200-G203 PolarHBondContact O-N 3.08Å; I200-G203 VanDerWaalsContact O-N 3.09Å; R201-G203 VanDerWaalsContact C-N 3.28Å; R201-G203 PolarHBondContact O-N 2.88Å; G203-T205 PolarHBondContact O-N 2.91Å; G203-A206 PolarHBondContact O-N 2.98Å; G203-L207 WeakPolarHBondContact O-CB 3.4Å; G203-L207 PolarHBondContact O-N 3.25Å; G203-F260 WeakPolarHBondContact O-CD2 3.43Å
204	Y	96.8	Very high	92.8	Very high	8 Å²	8	34 Å²	34	3%	0.031	17%	0.166	C	C	.	.	H	α-helix	trans	-57.9	-47.3	174.8	-81.5	-63.8	0	0	0	112.3	I200 R201 A206 L207 D208 L289 E290 P401 E403 A404	I200-Y204 HydrophobicContact CG2-CD2 4.12Å; I200-Y204 HydrophobicContact CG2-CE2 3.82Å; I200-Y204 WeakPolarHBondContact O-CD2 3.37Å; I200-Y204 PolarHBondContact O-N 3.07Å; R201-Y204 WeakPolarHBondContact O-CB 3.37Å; R201-Y204 PolarHBondContact O-N 3.41Å; Y204-A206 VanDerWaalsContact C-N 3.31Å; Y204-A206 PolarHBondContact O-N 3.49Å; Y204-L207 CarbonylContact O-C 3.02Å; Y204-L207 WeakPolarHBondContact O-CB 3.24Å; Y204-L207 PolarHBondContact O-N 3.04Å; Y204-D208 PolarHBondContact O-N 3.26Å; Y204-L289 HydrophobicContact CD1-CB 4.28Å; Y204-L289 HydrophobicContact CD1-CD1 3.38Å; Y204-L289 HydrophobicContact CD1-CG 4.48Å; Y204-L289 HydrophobicContact CD2-CB 4.32Å; Y204-L289 HydrophobicContact CD2-CD1 4.04Å; Y204-L289 HydrophobicContact CE1-CB 3.66Å; Y204-L289 HydrophobicContact CE1-CD1 3.61Å; Y204-L289 HydrophobicContact CE1-CG 4.3Å; Y204-L289 HydrophobicContact CE2-CB 3.71Å; Y204-L289 HydrophobicContact CE2-CD1 4.23Å; Y204-L289 HydrophobicContact CG-CD1 3.62Å; Y204-L289 WeakPolarHBondContact OH-CB 3.48Å; Y204-E290 WeakPolarHBondContact OH-CG 3.2Å; Y204-E290 PolarHBondContact OH-N 3.22Å; Y204-P401 HydrophobicContact CD2-CG 3.82Å; Y204-P401 HydrophobicContact CE2-CG 3.79Å; Y204-P401 HydrophobicContact CG-CG 4.32Å; Y204-E403 CarbonylContact C-O 3.57Å; Y204-A404 HydrophobicContact CD1-CB 3.43Å; Y204-A404 VanDerWaalsContact CD1-CB 3.43Å; Y204-A404 HydrophobicContact CE1-CB 3.71Å; Y204-A404 HydrophobicContact CG-CB 4.08Å
205	T	96.6	Very high	93.7	Very high	58 Å²	58	35.7 Å²	35.7	36%	0.356	18%	0.175	S	C	.	.	H	α-helix	trans	-59	-41.9	179.3	-56.1	0	0	0	0	111.9	R201 A202 G203 K209	R201-T205 PolarHBondContact O-N 3.02Å; R201-T205 PolarHBondContact O-OG1 3.25Å; A202-T205 PolarHBondContact O-N 3.28Å; G203-T205 PolarHBondContact O-N 2.91Å; T205-K209 PolarHBondContact O-N 2.78Å
206	A	96.4	Very high	94.2	Very high	3 Å²	3	37.2 Å²	37.2	3%	0.025	19%	0.188	C	C	.	.	H	α-helix	trans	-67.6	-38.5	175.9	0	0	0	0	0	111.8	A202 G203 Y204 K209 V210 D259 F260	A202-A206 PolarHBondContact O-N 3.18Å; G203-A206 PolarHBondContact O-N 2.98Å; Y204-A206 VanDerWaalsContact C-N 3.31Å; Y204-A206 PolarHBondContact O-N 3.49Å; A206-K209 PolarHBondContact O-N 3.13Å; A206-V210 PolarHBondContact O-N 3.1Å; A206-D259 HydrophobicContact CB-CB 4.27Å; A206-F260 HydrophobicContact CB-CB 3.98Å
207	L	97	Very high	94.5	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-69.3	-33.9	177.8	-169.5	63	0	0	0	112.7	G203 Y204 K209 V210 S211 F260 I276 V282 K285 I286 L289 P405	G203-L207 WeakPolarHBondContact O-CB 3.4Å; G203-L207 PolarHBondContact O-N 3.25Å; Y204-L207 CarbonylContact O-C 3.02Å; Y204-L207 WeakPolarHBondContact O-CB 3.24Å; Y204-L207 PolarHBondContact O-N 3.04Å; L207-K209 VanDerWaalsContact C-N 3.34Å; L207-V210 HydrophobicContact CD1-CB 4.46Å; L207-V210 WeakPolarHBondContact O-CB 3.49Å; L207-V210 PolarHBondContact O-N 2.87Å; L207-S211 PolarHBondContact O-N 3.45Å; L207-F260 HydrophobicContact CB-CD2 3.93Å; L207-F260 HydrophobicContact CB-CE2 4.14Å; L207-F260 HydrophobicContact CD1-CD2 4.32Å; L207-F260 HydrophobicContact CD1-CE2 4.34Å; L207-F260 HydrophobicContact CD1-CG 4.48Å; L207-F260 HydrophobicContact CD2-CE2 4.39Å; L207-I276 HydrophobicContact CD1-CD1 3.97Å; L207-V282 HydrophobicContact CD1-CG1 4.4Å; L207-V282 HydrophobicContact CD2-CG1 4.47Å; L207-V282 HydrophobicContact CG-CG1 4.23Å; L207-K285 HydrophobicContact CD1-CB 3.79Å; L207-K285 HydrophobicContact CD1-CG 4.36Å; L207-K285 HydrophobicContact CD2-CB 3.6Å; L207-K285 HydrophobicContact CG-CB 4.38Å; L207-I286 HydrophobicContact CD2-CG1 3.74Å; L207-L289 HydrophobicContact CD2-CD1 4.14Å; L207-P405 HydrophobicContact CB-CG 4.18Å; L207-P405 HydrophobicContact CD2-CG 4.06Å; L207-P405 HydrophobicContact CG-CG 3.82Å
208	D	96.6	Very high	94.6	Very high	41 Å²	41	35.6 Å²	35.6	22%	0.219	19%	0.189	C	C	.	.	H	α-helix	trans	-63	-41.2	174.4	-178	63.9	0	0	0	111.1	Y204 V210 S211 Q212 P405	Y204-D208 PolarHBondContact O-N 3.26Å; D208-V210 VanDerWaalsContact C-N 3.34Å; D208-V210 PolarHBondContact O-N 3.35Å; D208-S211 WeakPolarHBondContact O-CB 3.21Å; D208-S211 PolarHBondContact O-N 3.44Å; D208-Q212 WeakPolarHBondContact O-CG 2.98Å; D208-Q212 PolarHBondContact O-N 3Å; D208-Q212 PolarHBondContact OD2-NE2 2.91Å; D208-P405 HydrophobicContact CB-CB 4.37Å; D208-P405 HydrophobicContact CB-CG 4.36Å; D208-P405 VanDerWaalsContact OD1-CA 3.31Å; D208-P405 WeakPolarHBondContact OD1-CA 3.19Å
209	K	96.6	Very high	94.5	Very high	103 Å²	103	35.2 Å²	35.2	45%	0.448	19%	0.189	S	C	.	.	H	α-helix	trans	-59.7	-42.7	171.4	-66.1	178.1	-177.4	-178.7	0	112.4	T205 A206 L207 S211 Q212 M213 A256	T205-K209 PolarHBondContact O-N 2.78Å; A206-K209 PolarHBondContact O-N 3.13Å; L207-K209 VanDerWaalsContact C-N 3.34Å; K209-S211 VanDerWaalsContact C-N 3.33Å; K209-S211 PolarHBondContact O-N 2.84Å; K209-Q212 PolarHBondContact O-N 3.45Å; K209-M213 VanDerWaalsContact O-CG 3.31Å; K209-M213 WeakPolarHBondContact O-CG 3.43Å; K209-M213 PolarHBondContact O-N 3.28Å; K209-M213 VanDerWaalsContact O-N 3.08Å; K209-A256 HydrophobicContact CB-CB 4.04Å
210	V	97.1	Very high	94.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-58.3	-48.2	175.7	169.6	0	0	0	0	110.4	A206 L207 D208 M213 I214 L253 A256 I276 V282	A206-V210 PolarHBondContact O-N 3.1Å; L207-V210 HydrophobicContact CD1-CB 4.46Å; L207-V210 WeakPolarHBondContact O-CB 3.49Å; L207-V210 PolarHBondContact O-N 2.87Å; D208-V210 VanDerWaalsContact C-N 3.34Å; D208-V210 PolarHBondContact O-N 3.35Å; V210-M213 PolarHBondContact O-N 3.26Å; V210-I214 HydrophobicContact CG1-CD1 3.92Å; V210-I214 WeakPolarHBondContact O-CG1 3.43Å; V210-I214 PolarHBondContact O-N 3.18Å; V210-L253 HydrophobicContact CB-CD1 4.5Å; V210-L253 HydrophobicContact CG1-CD1 3.89Å; V210-A256 HydrophobicContact CB-CB 4.46Å; V210-A256 VanDerWaalsContact CG2-C 3.47Å; V210-A256 HydrophobicContact CG2-CB 3.59Å; V210-I276 HydrophobicContact CG1-CB 3.75Å; V210-I276 HydrophobicContact CG1-CD1 4.36Å; V210-I276 HydrophobicContact CG1-CG2 3.71Å; V210-V282 HydrophobicContact CG1-CG2 4.33Å
211	S	95.6	Very high	93.8	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.014	22%	0.216	C	C	.	.	H	α-helix	trans	-57.6	-49.5	177.5	146.8	0	0	0	0	111.9	L207 D208 K209 M213 I214 D215 T407	L207-S211 PolarHBondContact O-N 3.45Å; D208-S211 WeakPolarHBondContact O-CB 3.21Å; D208-S211 PolarHBondContact O-N 3.44Å; K209-S211 VanDerWaalsContact C-N 3.33Å; K209-S211 PolarHBondContact O-N 2.84Å; S211-M213 VanDerWaalsContact C-N 3.29Å; S211-M213 PolarHBondContact O-N 2.91Å; S211-I214 PolarHBondContact O-N 2.68Å; S211-I214 VanDerWaalsContact O-N 3.11Å; S211-D215 PolarHBondContact O-N 2.77Å; S211-T407 PolarHBondContact OG-OG1 2.89Å
212	Q	95	Very high	92.9	Very high	95 Å²	95	38.6 Å²	38.6	44%	0.444	22%	0.219	S	C	.	.	H	α-helix	trans	-57.7	-39.6	176.6	-68.4	175.7	31.6	0	0	112.8	D208 K209 D215 A216	D208-Q212 WeakPolarHBondContact O-CG 2.98Å; D208-Q212 PolarHBondContact O-N 3Å; D208-Q212 PolarHBondContact OD2-NE2 2.91Å; K209-Q212 PolarHBondContact O-N 3.45Å; Q212-D215 PolarHBondContact O-N 2.94Å; Q212-A216 WeakPolarHBondContact O-CB 3.43Å; Q212-A216 PolarHBondContact O-N 2.94Å
213	M	95.9	Very high	91.9	Very high	29 Å²	29	43.1 Å²	43.1	14%	0.143	24%	0.237	C	C	.	.	H	α-helix	trans	-68.9	-37	177.9	-65.7	-56.7	99.9	0	0	112.4	K209 V210 S211 L217 L249 Q252 L253	K209-M213 VanDerWaalsContact O-CG 3.31Å; K209-M213 WeakPolarHBondContact O-CG 3.43Å; K209-M213 PolarHBondContact O-N 3.28Å; K209-M213 VanDerWaalsContact O-N 3.08Å; V210-M213 PolarHBondContact O-N 3.26Å; S211-M213 VanDerWaalsContact C-N 3.29Å; S211-M213 PolarHBondContact O-N 2.91Å; M213-L217 WeakPolarHBondContact O-CB 3.11Å; M213-L217 WeakPolarHBondContact O-CD1 3.43Å; M213-L217 VanDerWaalsContact O-CG 3.31Å; M213-L217 WeakPolarHBondContact O-CG 3.37Å; M213-L217 PolarHBondContact O-N 3.44Å; M213-L249 HydrophobicContact SD-CD2 4.01Å; M213-Q252 HydrophobicContact CG-CB 4.29Å; M213-Q252 HydrophobicContact SD-CB 3.64Å; M213-L253 HydrophobicContact CB-CB 3.94Å; M213-L253 HydrophobicContact CB-CD1 3.86Å; M213-L253 HydrophobicContact CB-CG 4.49Å; M213-L253 HydrophobicContact CG-CB 4.48Å
214	I	94.8	Very high	90.1	Very high	16 Å²	16	47.8 Å²	47.8	8%	0.082	27%	0.268	C	S	.	.	H	α-helix	trans	-64.5	-44.7	174.8	-66.4	166.2	0	0	0	110.3	V210 S211 L217 S218 L253 I276 M279 V282	V210-I214 HydrophobicContact CG1-CD1 3.92Å; V210-I214 WeakPolarHBondContact O-CG1 3.43Å; V210-I214 PolarHBondContact O-N 3.18Å; S211-I214 PolarHBondContact O-N 2.68Å; S211-I214 VanDerWaalsContact O-N 3.11Å; I214-L217 PolarHBondContact O-N 3.14Å; I214-S218 WeakPolarHBondContact O-CB 3.11Å; I214-S218 PolarHBondContact O-N 3.13Å; I214-L253 HydrophobicContact CD1-CD1 4.46Å; I214-L253 HydrophobicContact CG1-CD1 3.86Å; I214-L253 HydrophobicContact CG1-CD2 4.47Å; I214-I276 HydrophobicContact CD1-CG2 4.2Å; I214-M279 HydrophobicContact CB-CE 3.92Å; I214-M279 HydrophobicContact CG2-CE 3.75Å; I214-M279 HydrophobicContact CG2-SD 4.28Å; I214-V282 HydrophobicContact CD1-CG2 3.7Å
215	D	91.7	Very high	88.2	Confident	56 Å²	56	53.7 Å²	53.7	30%	0.299	30%	0.3	S	S	.	.	H	α-helix	trans	-61.8	-45.5	177.3	-76.6	-44.3	0	0	0	111.8	S211 Q212 L217 S218 A219 M279 T407	S211-D215 PolarHBondContact O-N 2.77Å; Q212-D215 PolarHBondContact O-N 2.94Å; D215-L217 VanDerWaalsContact C-N 3.34Å; D215-L217 PolarHBondContact O-N 2.97Å; D215-S218 WeakPolarHBondContact O-CB 3.5Å; D215-S218 PolarHBondContact O-N 3.15Å; D215-A219 PolarHBondContact O-N 3.29Å; D215-M279 HydrophobicContact CB-CE 4.29Å; D215-M279 WeakPolarHBondContact OD1-CE 3.46Å; D215-M279 WeakPolarHBondContact OD2-CE 3.2Å; D215-T407 WeakPolarHBondContact OD2-CB 3.18Å; D215-T407 WeakPolarHBondContact OD2-CG2 3.4Å; D215-T407 PolarHBondContact OD2-OG1 2.89Å
216	A	92.8	Very high	85.9	Confident	36 Å²	36	55.9 Å²	55.9	30%	0.298	31%	0.314	S	S	.	.	H	α-helix	trans	-61.4	-40.8	176.8	0	0	0	0	0	112.4	Q212 L220 L249	Q212-A216 WeakPolarHBondContact O-CB 3.43Å; Q212-A216 PolarHBondContact O-N 2.94Å; A216-L220 WeakPolarHBondContact O-CB 3.44Å; A216-L220 PolarHBondContact O-N 3.36Å; A216-L249 HydrophobicContact CB-CD1 4.12Å; A216-L249 HydrophobicContact CB-CD2 3.97Å
217	L	92.9	Very high	83.5	Confident	32 Å²	32	63.1 Å²	63.1	17%	0.168	35%	0.347	C	S	.	.	H	α-helix	trans	-65.2	-39.8	175.4	-78.7	166.1	0	0	0	112.2	M213 I214 D215 S221 K246 L249 E250 L253	M213-L217 WeakPolarHBondContact O-CB 3.11Å; M213-L217 WeakPolarHBondContact O-CD1 3.43Å; M213-L217 VanDerWaalsContact O-CG 3.31Å; M213-L217 WeakPolarHBondContact O-CG 3.37Å; M213-L217 PolarHBondContact O-N 3.44Å; I214-L217 PolarHBondContact O-N 3.14Å; D215-L217 VanDerWaalsContact C-N 3.34Å; D215-L217 PolarHBondContact O-N 2.97Å; L217-S221 PolarHBondContact O-N 3.38Å; L217-S221 VanDerWaalsContact O-N 3.12Å; L217-K246 HydrophobicContact CD2-CG 4.1Å; L217-L249 HydrophobicContact CD2-CB 3.57Å; L217-L249 HydrophobicContact CD2-CD1 4.09Å; L217-L249 HydrophobicContact CG-CB 3.85Å; L217-L249 HydrophobicContact CG-CD1 4.31Å; L217-E250 HydrophobicContact CD1-CG 4.46Å; L217-E250 HydrophobicContact CD2-CG 4.12Å; L217-L253 HydrophobicContact CD1-CB 4.49Å; L217-L253 HydrophobicContact CD1-CD2 3.82Å
218	S	90	Very high	80.8	Confident	52 Å²	52	69.2 Å²	69.2	36%	0.364	39%	0.385	S	S	.	.	H	α-helix	trans	-63.3	-48.9	176.1	-173	0	0	0	0	111.1	I214 D215 L220 S221 Q222	I214-S218 WeakPolarHBondContact O-CB 3.11Å; I214-S218 PolarHBondContact O-N 3.13Å; D215-S218 WeakPolarHBondContact O-CB 3.5Å; D215-S218 PolarHBondContact O-N 3.15Å; S218-L220 PolarHBondContact O-N 2.96Å; S218-S221 PolarHBondContact O-N 3Å; S218-S221 VanDerWaalsContact O-N 3.15Å; S218-S221 PolarHBondContact O-OG 3.48Å; S218-Q222 WeakPolarHBondContact O-CG 3.03Å; S218-Q222 PolarHBondContact O-N 3.05Å; S218-Q222 VanDerWaalsContact O-N 3.15Å
219	A	88.5	Confident	78.1	Confident	44 Å²	44	74.9 Å²	74.9	36%	0.364	41%	0.41	S	S	.	.	H	α-helix	trans	-58.5	-46.8	177	0	0	0	0	0	112.2	D215 S221 Q222 E223	D215-A219 PolarHBondContact O-N 3.29Å; A219-S221 PolarHBondContact O-N 2.88Å; A219-Q222 PolarHBondContact O-N 2.96Å; A219-E223 PolarHBondContact O-N 3.12Å
220	L	87.6	Confident	75.3	Confident	28 Å²	28	77 Å²	77	15%	0.147	43%	0.431	C	S	.	.	H	α-helix	trans	-61	-32.9	178.4	-167.9	69.3	0	0	0	112.7	A216 S218 N242 D245 K246 L249	A216-L220 WeakPolarHBondContact O-CB 3.44Å; A216-L220 PolarHBondContact O-N 3.36Å; S218-L220 PolarHBondContact O-N 2.96Å; L220-N242 HydrophobicContact CD1-CB 3.92Å; L220-N242 WeakPolarHBondContact CD1-ND2 3.47Å; L220-N242 HydrophobicContact CD2-CB 4.28Å; L220-N242 HydrophobicContact CG-CB 4.14Å; L220-D245 HydrophobicContact CD2-CB 4.42Å; L220-K246 HydrophobicContact CD2-CB 3.84Å; L220-L249 HydrophobicContact CD2-CD1 4.03Å
221	S	82.8	Confident	72.7	Confident	69 Å²	69	85.6 Å²	85.6	48%	0.483	47%	0.469	S	S	.	.	H	α-helix	trans	-73.6	-29.9	176.9	75.2	0	0	0	0	113.3	L217 S218 A219	L217-S221 PolarHBondContact O-N 3.38Å; L217-S221 VanDerWaalsContact O-N 3.12Å; S218-S221 PolarHBondContact O-N 3Å; S218-S221 VanDerWaalsContact O-N 3.15Å; S218-S221 PolarHBondContact O-OG 3.48Å; A219-S221 PolarHBondContact O-N 2.88Å
222	Q	76.7	Confident	70.5	Confident	122 Å²	122	90.1 Å²	90.1	57%	0.57	51%	0.506	S	S	*	.	H	α-helix	trans	-75.7	-39.1	178.9	-69.7	175	5.3	0	0	111.9	S218 A219 C224 N225	S218-Q222 WeakPolarHBondContact O-CG 3.03Å; S218-Q222 PolarHBondContact O-N 3.05Å; S218-Q222 VanDerWaalsContact O-N 3.15Å; A219-Q222 PolarHBondContact O-N 2.96Å; Q222-C224 VanDerWaalsContact C-N 3.27Å; Q222-C224 PolarHBondContact O-N 3.12Å; Q222-N225 PolarHBondContact O-N 3.47Å; Q222-N225 VanDerWaalsContact O-N 3.11Å
223	E	73.7	Confident	68.1	Low	112 Å²	112	97 Å²	97	52%	0.523	53%	0.528	S	S	.	.	H	α-helix	trans	-57.5	-39.3	177.6	-70.7	174.8	-179.6	0	0	112.2	A219 N225 T226	A219-E223 PolarHBondContact O-N 3.12Å; E223-N225 PolarHBondContact O-N 3.38Å; E223-N225 VanDerWaalsContact O-N 3.11Å; E223-T226 PolarHBondContact O-N 3.06Å; E223-T226 VanDerWaalsContact O-N 3.13Å; E223-T226 PolarHBondContact O-OG1 3.44Å
224	C	57.1	Low	65.8	Low	98 Å²	98	99.9 Å²	99.9	66%	0.662	57%	0.566	S	S	*	*	H	α-helix	trans	-60.9	-22	179.6	-165.3	0	0	0	0	113.8	Q222	Q222-C224 VanDerWaalsContact C-N 3.27Å; Q222-C224 PolarHBondContact O-N 3.12Å
225	N	55.9	Low	63.5	Low	131 Å²	131	110.2 Å²	110.2	70%	0.701	60%	0.604	S	S	*	*	H	α-helix	trans	-89.9	-16.3	-179.2	-66.5	-21.1	0	0	0	113.2	Q222 E223	Q222-N225 PolarHBondContact O-N 3.47Å; Q222-N225 VanDerWaalsContact O-N 3.11Å; E223-N225 PolarHBondContact O-N 3.38Å; E223-N225 VanDerWaalsContact O-N 3.11Å
226	T	49.6	Very low	61.2	Low	104 Å²	104	114.4 Å²	114.4	64%	0.638	63%	0.631	S	S	*	*	H	α-helix	trans	-91.2	-17.9	-172.2	54	0	0	0	0	115.2	E223 T228	E223-T226 PolarHBondContact O-N 3.06Å; E223-T226 VanDerWaalsContact O-N 3.13Å; E223-T226 PolarHBondContact O-OG1 3.44Å; T226-T228 VanDerWaalsContact C-N 3.32Å; T226-T228 PolarHBondContact O-N 2.71Å; T226-T228 VanDerWaalsContact O-N 3.09Å
227	E	46.5	Very low	59	Low	155 Å²	155	121.5 Å²	121.5	72%	0.724	66%	0.655	S	S	*	*			trans	-88.1	51.9	-177.3	-66.1	-167.2	163.2	0	0	114.2
228	T	40.2	Very low	56.6	Low	129 Å²	129	131.2 Å²	131.2	79%	0.791	69%	0.689	S	S	*	*			trans	-104.2	51.1	158.6	31	0	0	0	0	110.9	T226	T226-T228 VanDerWaalsContact C-N 3.32Å; T226-T228 PolarHBondContact O-N 2.71Å; T226-T228 VanDerWaalsContact O-N 3.09Å
229	E	40.2	Very low	54.9	Low	159 Å²	159	133.4 Å²	133.4	74%	0.743	70%	0.7	S	S	*	*			trans	-88.5	107.6	166	-76.6	-168.3	168.6	0	0	110.6	K231	E229-K231 PolarHBondContact O-N 2.96Å
230	T	37.1	Very low	53.4	Low	147 Å²	147	140 Å²	140	90%	0.902	72%	0.721	S	S	*	*			trans	-59.4	88.3	171.6	22.8	0	0	0	0	111.2
231	K	42.6	Very low	52.2	Low	181 Å²	181	144.2 Å²	144.2	79%	0.787	75%	0.748	S	S	*	*			trans	-84.4	114.6	165	-73.4	-172.8	179.7	174.3	0	110.5	E229	E229-K231 PolarHBondContact O-N 2.96Å
232	A	48.2	Very low	51.9	Low	97 Å²	97	143.6 Å²	143.6	80%	0.802	74%	0.739	S	S	*	*	S	Bend	trans	-56.6	138.2	169.4	0	0	0	0	0	110.5
233	R	46.1	Very low	52.3	Low	239 Å²	239	140.8 Å²	140.8	90%	0.902	74%	0.736	S	S	*	*	S	Bend	trans	83.2	79.1	-178.7	-59.5	179.1	168	168.9	-3.6	116	R235	R233-R235 VanDerWaalsContact C-N 3.3Å; R233-R235 PolarHBondContact O-N 2.8Å
234	G	47.9	Very low	53	Low	90 Å²	90	137.4 Å²	137.4	93%	0.928	73%	0.732	S	S	*	*	S	Bend		70.8	3.3	115.4	0	0	0	0	0	119.4
235	R	45.4	Very low	54.5	Low	234 Å²	234	136.7 Å²	136.7	88%	0.883	72%	0.721	S	S	*	*			trans	-123.3	98.1	169	-117	178	178.1	171.5	-0.2	109.2	R233 K237	R233-R235 VanDerWaalsContact C-N 3.3Å; R233-R235 PolarHBondContact O-N 2.8Å; R235-K237 VanDerWaalsContact C-N 3.34Å; R235-K237 PolarHBondContact O-N 2.96Å
236	V	44	Very low	56.2	Low	143 Å²	143	135.6 Å²	135.6	87%	0.867	71%	0.71	S	S	*	*			trans	-62.6	99.5	164.9	-178.8	0	0	0	0	106.4	R238	V236-R238 PolarHBondContact O-N 3.41Å
237	K	45.2	Very low	58.3	Low	186 Å²	186	138.3 Å²	138.3	81%	0.809	71%	0.709	S	S	*	*			trans	-60.5	120.3	163	-97.4	-175.8	177	178.5	0	105.4	R235 V239	R235-K237 VanDerWaalsContact C-N 3.34Å; R235-K237 PolarHBondContact O-N 2.96Å; K237-V239 PolarHBondContact O-N 3.3Å
238	R	44.4	Very low	60.6	Low	236 Å²	236	136.7 Å²	136.7	89%	0.891	70%	0.699	S	S	*	*			trans	-50.7	104.5	170.2	-175.3	176	179	169.2	-0.3	107	V236 K240	V236-R238 PolarHBondContact O-N 3.41Å; R238-K240 PolarHBondContact O-N 2.92Å
239	V	53.1	Low	63.1	Low	97 Å²	97	132 Å²	132	59%	0.588	67%	0.669	S	S	*	*			trans	-55.1	117	174.2	178	0	0	0	0	105.3	K237 T241	K237-V239 PolarHBondContact O-N 3.3Å; V239-T241 PolarHBondContact O-N 3.42Å
240	K	56.4	Low	65.8	Low	184 Å²	184	128.4 Å²	128.4	80%	0.8	65%	0.653	S	S	*	*			trans	-61.7	113.9	171.8	-78.7	-177.4	176.7	178.8	0	105.2	R238 N242	R238-K240 PolarHBondContact O-N 2.92Å; K240-N242 PolarHBondContact O-N 3.23Å
241	T	62.2	Low	68.5	Low	116 Å²	116	125.6 Å²	125.6	71%	0.712	63%	0.629	S	S	*	*			trans	-69.8	115.8	178.7	48.2	0	0	0	0	107.9	V239 A243	V239-T241 PolarHBondContact O-N 3.42Å; T241-A243 PolarHBondContact O-N 2.96Å
242	N	77.8	Confident	71	Confident	56 Å²	56	121.6 Å²	121.6	30%	0.299	61%	0.613	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.7	5.4	175.9	-70.9	-5.7	0	0	0	113.4	L220 K240 G244 D245 K246	L220-N242 HydrophobicContact CD1-CB 3.92Å; L220-N242 WeakPolarHBondContact CD1-ND2 3.47Å; L220-N242 HydrophobicContact CD2-CB 4.28Å; L220-N242 HydrophobicContact CG-CB 4.14Å; K240-N242 PolarHBondContact O-N 3.23Å; N242-G244 VanDerWaalsContact C-N 3.31Å; N242-G244 PolarHBondContact O-N 3.15Å; N242-D245 PolarHBondContact O-N 2.9Å; N242-K246 WeakPolarHBondContact O-CB 3.41Å; N242-K246 PolarHBondContact O-N 3.18Å
243	A	83.7	Confident	73.3	Confident	62 Å²	62	117.1 Å²	117.1	51%	0.512	58%	0.576	S	S	.	*	H	α-helix	trans	-58.7	-37.8	-177.6	0	0	0	0	0	113.2	T241 R247	T241-A243 PolarHBondContact O-N 2.96Å; A243-R247 WeakPolarHBondContact O-CB 3.45Å; A243-R247 PolarHBondContact O-N 3.07Å
244	G	88.8	Confident	75.7	Confident	42 Å²	42	107.1 Å²	107.1	43%	0.433	54%	0.54	S	S	.	.	H	α-helix	trans	-65.7	-42.3	176.9	0	0	0	0	0	112.6	N242 K248	N242-G244 VanDerWaalsContact C-N 3.31Å; N242-G244 PolarHBondContact O-N 3.15Å; G244-K248 WeakPolarHBondContact O-CG 3.3Å; G244-K248 PolarHBondContact O-N 2.65Å; G244-K248 VanDerWaalsContact O-N 3.16Å
245	D	89.4	Confident	77.9	Confident	82 Å²	82	107.3 Å²	107.3	44%	0.439	52%	0.519	S	S	.	.	H	α-helix	trans	-74.3	-38.6	179.6	-62.5	-34.4	0	0	0	111.4	L220 N242 R247 K248 L249	L220-D245 HydrophobicContact CD2-CB 4.42Å; N242-D245 PolarHBondContact O-N 2.9Å; D245-R247 PolarHBondContact O-N 3.41Å; D245-K248 PolarHBondContact O-N 2.73Å; D245-K248 IonicContact OD1-NZ 3.8Å; D245-L249 WeakPolarHBondContact O-CG 3.23Å; D245-L249 PolarHBondContact O-N 3.26Å
246	K	91.8	Very high	80.4	Confident	108 Å²	108	96.5 Å²	96.5	47%	0.47	48%	0.48	S	S	.	.	H	α-helix	trans	-56.2	-48.4	171	-176.9	177	176.2	177.4	0	111.6	L217 L220 N242 K248 L249 E250	L217-K246 HydrophobicContact CD2-CG 4.1Å; L220-K246 HydrophobicContact CD2-CB 3.84Å; N242-K246 WeakPolarHBondContact O-CB 3.41Å; N242-K246 PolarHBondContact O-N 3.18Å; K246-K248 VanDerWaalsContact C-N 3.35Å; K246-K248 PolarHBondContact O-N 2.77Å; K246-L249 PolarHBondContact O-N 3.34Å; K246-E250 WeakPolarHBondContact CE-OE1 3.46Å; K246-E250 WeakPolarHBondContact O-CG 3.31Å; K246-E250 PolarHBondContact O-N 3.32Å
247	R	92.8	Very high	82.9	Confident	162 Å²	162	89.7 Å²	89.7	61%	0.611	44%	0.439	S	S	*	.	H	α-helix	trans	-60.6	-43	178.1	-179.2	178.8	171.8	167.2	3.5	111.9	A243 D245 L249 E250 E251	A243-R247 WeakPolarHBondContact O-CB 3.45Å; A243-R247 PolarHBondContact O-N 3.07Å; D245-R247 PolarHBondContact O-N 3.41Å; R247-L249 VanDerWaalsContact C-N 3.35Å; R247-L249 PolarHBondContact O-N 3.32Å; R247-E250 PolarHBondContact O-N 3.45Å; R247-E251 IonicContact CZ-OE1 3.86Å; R247-E251 IonicContact NE-OE1 3.03Å; R247-E251 PolarHBondContact NE-OE1 3.24Å; R247-E251 IonicContact NH2-OE1 3.79Å; R247-E251 WeakPolarHBondContact O-CG 3.32Å; R247-E251 PolarHBondContact O-N 3.38Å
248	K	94.3	Very high	85.2	Confident	120 Å²	120	81.3 Å²	81.3	52%	0.522	40%	0.403	S	S	.	.	H	α-helix	trans	-62	-41.2	176	-72.3	172.8	-174.1	167.9	0	112.1	G244 D245 K246 E251 Q252	G244-K248 WeakPolarHBondContact O-CG 3.3Å; G244-K248 PolarHBondContact O-N 2.65Å; G244-K248 VanDerWaalsContact O-N 3.16Å; D245-K248 PolarHBondContact O-N 2.73Å; D245-K248 IonicContact OD1-NZ 3.8Å; K246-K248 VanDerWaalsContact C-N 3.35Å; K246-K248 PolarHBondContact O-N 2.77Å; K248-E251 PolarHBondContact O-N 2.99Å; K248-Q252 WeakPolarHBondContact O-CG 2.81Å; K248-Q252 PolarHBondContact O-N 3.16Å
249	L	94.8	Very high	87.7	Confident	30 Å²	30	72.8 Å²	72.8	16%	0.157	38%	0.375	C	S	.	.	H	α-helix	trans	-66.9	-39.8	176.3	-73	173	0	0	0	111.9	M213 A216 L217 L220 D245 K246 R247 E251 Q252 L253	M213-L249 HydrophobicContact SD-CD2 4.01Å; A216-L249 HydrophobicContact CB-CD1 4.12Å; A216-L249 HydrophobicContact CB-CD2 3.97Å; L217-L249 HydrophobicContact CD2-CB 3.57Å; L217-L249 HydrophobicContact CD2-CD1 4.09Å; L217-L249 HydrophobicContact CG-CB 3.85Å; L217-L249 HydrophobicContact CG-CD1 4.31Å; L220-L249 HydrophobicContact CD2-CD1 4.03Å; D245-L249 WeakPolarHBondContact O-CG 3.23Å; D245-L249 PolarHBondContact O-N 3.26Å; K246-L249 PolarHBondContact O-N 3.34Å; R247-L249 VanDerWaalsContact C-N 3.35Å; R247-L249 PolarHBondContact O-N 3.32Å; L249-E251 VanDerWaalsContact C-N 3.35Å; L249-Q252 PolarHBondContact O-N 3.03Å; L249-L253 WeakPolarHBondContact O-CB 3.49Å; L249-L253 PolarHBondContact O-N 3.01Å
250	E	94.9	Very high	89.7	Confident	84 Å²	84	68.1 Å²	68.1	39%	0.393	35%	0.347	S	S	.	.	H	α-helix	trans	-63.3	-39.9	174.3	-73.5	175.9	173.5	0	0	112.1	L217 K246 R247 L254	L217-E250 HydrophobicContact CD1-CG 4.46Å; L217-E250 HydrophobicContact CD2-CG 4.12Å; K246-E250 WeakPolarHBondContact CE-OE1 3.46Å; K246-E250 WeakPolarHBondContact O-CG 3.31Å; K246-E250 PolarHBondContact O-N 3.32Å; R247-E250 PolarHBondContact O-N 3.45Å; E250-L254 WeakPolarHBondContact O-CB 3.37Å; E250-L254 PolarHBondContact O-N 2.86Å
251	E	94.9	Very high	91.6	Very high	89 Å²	89	59.6 Å²	59.6	42%	0.416	31%	0.31	S	S	.	.	H	α-helix	trans	-65	-41.9	173.7	-73.3	173.2	-168.5	0	0	111.4	R247 K248 L249 L254 L255	R247-E251 IonicContact CZ-OE1 3.86Å; R247-E251 IonicContact NE-OE1 3.03Å; R247-E251 PolarHBondContact NE-OE1 3.24Å; R247-E251 IonicContact NH2-OE1 3.79Å; R247-E251 WeakPolarHBondContact O-CG 3.32Å; R247-E251 PolarHBondContact O-N 3.38Å; K248-E251 PolarHBondContact O-N 2.99Å; L249-E251 VanDerWaalsContact C-N 3.35Å; E251-L254 WeakPolarHBondContact O-CB 3.41Å; E251-L254 PolarHBondContact O-N 3.38Å; E251-L255 WeakPolarHBondContact O-CG 3.35Å; E251-L255 PolarHBondContact O-N 2.72Å; E251-L255 VanDerWaalsContact O-N 3.09Å
252	Q	95.7	Very high	93.1	Very high	96 Å²	96	54.2 Å²	54.2	45%	0.449	28%	0.277	S	S	.	.	H	α-helix	trans	-67.5	-40.6	175.9	-74	177.8	54.5	0	0	112.8	M213 K248 L249 L254 L255 A256	M213-Q252 HydrophobicContact CG-CB 4.29Å; M213-Q252 HydrophobicContact SD-CB 3.64Å; K248-Q252 WeakPolarHBondContact O-CG 2.81Å; K248-Q252 PolarHBondContact O-N 3.16Å; L249-Q252 PolarHBondContact O-N 3.03Å; Q252-L254 VanDerWaalsContact C-N 3.28Å; Q252-L254 PolarHBondContact O-N 2.77Å; Q252-L255 PolarHBondContact O-N 3.04Å; Q252-A256 WeakPolarHBondContact O-CB 3.25Å; Q252-A256 PolarHBondContact O-N 2.91Å
253	L	96.7	Very high	93.8	Very high	3 Å²	3	55.1 Å²	55.1	2%	0.016	28%	0.276	C	S	.	.	H	α-helix	trans	-58.1	-44	174.1	177	62.9	0	0	0	110.9	V210 M213 I214 L217 L249 A256 C257 V275	V210-L253 HydrophobicContact CB-CD1 4.5Å; V210-L253 HydrophobicContact CG1-CD1 3.89Å; M213-L253 HydrophobicContact CB-CB 3.94Å; M213-L253 HydrophobicContact CB-CD1 3.86Å; M213-L253 HydrophobicContact CB-CG 4.49Å; M213-L253 HydrophobicContact CG-CB 4.48Å; I214-L253 HydrophobicContact CD1-CD1 4.46Å; I214-L253 HydrophobicContact CG1-CD1 3.86Å; I214-L253 HydrophobicContact CG1-CD2 4.47Å; L217-L253 HydrophobicContact CD1-CB 4.49Å; L217-L253 HydrophobicContact CD1-CD2 3.82Å; L249-L253 WeakPolarHBondContact O-CB 3.49Å; L249-L253 PolarHBondContact O-N 3.01Å; L253-A256 PolarHBondContact O-N 3.15Å; L253-C257 PolarHBondContact O-N 3.03Å; L253-C257 PolarHBondContact O-SG 3.07Å; L253-V275 HydrophobicContact CD2-CG1 4.17Å; L253-V275 HydrophobicContact CG-CG1 4.15Å
254	L	95.9	Very high	94.3	Very high	30 Å²	30	52.1 Å²	52.1	16%	0.157	25%	0.251	C	S	.	.	H	α-helix	trans	-63.2	-42	178	-175.8	62.3	0	0	0	112.2	V55 Q56 E250 E251 Q252 C257 N258 V275	V55-L254 HydrophobicContact CB-CD1 3.73Å; V55-L254 HydrophobicContact CG1-CD1 3.67Å; V55-L254 HydrophobicContact CG2-CD1 4.25Å; Q56-L254 HydrophobicContact CG-CD2 3.44Å; Q56-L254 VanDerWaalsContact CG-CD2 3.44Å; Q56-L254 HydrophobicContact CG-CG 4.34Å; E250-L254 WeakPolarHBondContact O-CB 3.37Å; E250-L254 PolarHBondContact O-N 2.86Å; E251-L254 WeakPolarHBondContact O-CB 3.41Å; E251-L254 PolarHBondContact O-N 3.38Å; Q252-L254 VanDerWaalsContact C-N 3.28Å; Q252-L254 PolarHBondContact O-N 2.77Å; L254-C257 PolarHBondContact O-N 2.66Å; L254-N258 VanDerWaalsContact O-CG 3.31Å; L254-N258 PolarHBondContact O-N 2.7Å; L254-N258 PolarHBondContact O-ND2 2.65Å; L254-V275 HydrophobicContact CD1-CG2 3.59Å
255	L	94.8	Very high	94.4	Very high	93 Å²	93	50.1 Å²	50.1	49%	0.487	23%	0.231	S	C	.	.	H	α-helix	trans	-64.5	-44	174.9	-68.6	174.3	0	0	0	111.6	E251 Q252 C257 N258 D259	E251-L255 WeakPolarHBondContact O-CG 3.35Å; E251-L255 PolarHBondContact O-N 2.72Å; E251-L255 VanDerWaalsContact O-N 3.09Å; Q252-L255 PolarHBondContact O-N 3.04Å; L255-C257 VanDerWaalsContact C-N 3.31Å; L255-C257 PolarHBondContact O-N 2.88Å; L255-N258 WeakPolarHBondContact O-CB 3.47Å; L255-N258 PolarHBondContact O-N 3.04Å; L255-D259 PolarHBondContact O-N 3.13Å
256	A	96	Very high	94.6	Very high	7 Å²	7	46.2 Å²	46.2	6%	0.058	21%	0.21	C	C	.	.	H	α-helix	trans	-62.4	-38	176.2	0	0	0	0	0	112.2	K209 V210 Q252 L253 D259 F260	K209-A256 HydrophobicContact CB-CB 4.04Å; V210-A256 HydrophobicContact CB-CB 4.46Å; V210-A256 VanDerWaalsContact CG2-C 3.47Å; V210-A256 HydrophobicContact CG2-CB 3.59Å; Q252-A256 WeakPolarHBondContact O-CB 3.25Å; Q252-A256 PolarHBondContact O-N 2.91Å; L253-A256 PolarHBondContact O-N 3.15Å; A256-D259 PolarHBondContact O-N 3.25Å; A256-F260 PolarHBondContact O-N 2.82Å
257	C	96.6	Very high	94.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-65.2	-42.7	173.4	-69.8	0	0	0	0	112.1	L253 L254 L255 D259 F260 Y261 I276	L253-C257 PolarHBondContact O-N 3.03Å; L253-C257 PolarHBondContact O-SG 3.07Å; L254-C257 PolarHBondContact O-N 2.66Å; L255-C257 VanDerWaalsContact C-N 3.31Å; L255-C257 PolarHBondContact O-N 2.88Å; C257-D259 VanDerWaalsContact C-N 3.3Å; C257-D259 PolarHBondContact O-N 3.35Å; C257-F260 PolarHBondContact O-N 2.92Å; C257-Y261 HydrophobicContact CB-CE2 4.45Å; C257-Y261 VanDerWaalsContact O-CD2 3.22Å; C257-Y261 WeakPolarHBondContact O-CD2 3.05Å; C257-Y261 PolarHBondContact O-N 2.63Å; C257-I276 PolarHBondContact SG-N 2.71Å; C257-I276 VanDerWaalsContact SG-N 3.43Å
258	N	95.3	Very high	94.4	Very high	11 Å²	11	37 Å²	37	6%	0.059	18%	0.177	C	C	.	.	H	α-helix	trans	-59.2	-43.9	174.3	-73.8	-28.2	0	0	0	111.1	N54 V55 L254 L255 T262	N54-N258 WeakPolarHBondContact CA-OD1 3.43Å; V55-N258 WeakPolarHBondContact CB-OD1 3.37Å; V55-N258 WeakPolarHBondContact CG2-OD1 3.24Å; V55-N258 PolarHBondContact N-OD1 3.29Å; L254-N258 VanDerWaalsContact O-CG 3.31Å; L254-N258 PolarHBondContact O-N 2.7Å; L254-N258 PolarHBondContact O-ND2 2.65Å; L255-N258 WeakPolarHBondContact O-CB 3.47Å; L255-N258 PolarHBondContact O-N 3.04Å; N258-T262 WeakPolarHBondContact O-CB 3.44Å; N258-T262 PolarHBondContact O-N 3.26Å; N258-T262 PolarHBondContact O-OG1 3.27Å
259	D	95.2	Very high	94.1	Very high	56 Å²	56	32.3 Å²	32.3	30%	0.299	16%	0.162	S	C	.	.	H	α-helix	trans	-62.3	-44.4	178.2	-72	-10.2	0	0	0	111.2	A206 L255 A256 C257 T262 R263	A206-D259 HydrophobicContact CB-CB 4.27Å; L255-D259 PolarHBondContact O-N 3.13Å; A256-D259 PolarHBondContact O-N 3.25Å; C257-D259 VanDerWaalsContact C-N 3.3Å; C257-D259 PolarHBondContact O-N 3.35Å; D259-T262 PolarHBondContact O-N 2.74Å; D259-R263 WeakPolarHBondContact O-CG 3.48Å; D259-R263 PolarHBondContact O-N 3.29Å
260	F	96.5	Very high	93.9	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-59.9	-51.6	177.2	174.1	-107.2	0	0	0	112.2	G203 A206 L207 A256 C257 T262 R263 I264 H266 I276 K285 L289	G203-F260 WeakPolarHBondContact O-CD2 3.43Å; A206-F260 HydrophobicContact CB-CB 3.98Å; L207-F260 HydrophobicContact CB-CD2 3.93Å; L207-F260 HydrophobicContact CB-CE2 4.14Å; L207-F260 HydrophobicContact CD1-CD2 4.32Å; L207-F260 HydrophobicContact CD1-CE2 4.34Å; L207-F260 HydrophobicContact CD1-CG 4.48Å; L207-F260 HydrophobicContact CD2-CE2 4.39Å; A256-F260 PolarHBondContact O-N 2.82Å; C257-F260 PolarHBondContact O-N 2.92Å; F260-T262 VanDerWaalsContact C-N 3.29Å; F260-T262 PolarHBondContact O-N 3.12Å; F260-R263 PolarHBondContact O-N 3.18Å; F260-I264 HydrophobicContact CD2-CG1 4.42Å; F260-I264 HydrophobicContact CE2-CB 4.44Å; F260-I264 HydrophobicContact CE2-CG1 4.02Å; F260-I264 PolarHBondContact O-N 3.15Å; F260-H266 AromaticContact CE1-CE1 3.43Å; F260-H266 VanDerWaalsContact CE1-CE1 3.43Å; F260-H266 WeakPolarHBondContact CE1-CE1 3.47Å; F260-H266 AromaticContact CE1-NE2 3.85Å; F260-H266 AromaticContact CZ-CE1 3.74Å; F260-I276 HydrophobicContact CD1-CD1 3.82Å; F260-I276 HydrophobicContact CE1-CD1 4.12Å; F260-K285 HydrophobicContact CE1-CB 4.11Å; F260-K285 HydrophobicContact CE1-CD 3.84Å; F260-K285 HydrophobicContact CE1-CG 3.77Å; F260-K285 HydrophobicContact CZ-CB 3.77Å; F260-K285 HydrophobicContact CZ-CD 4.04Å; F260-K285 HydrophobicContact CZ-CG 3.94Å; F260-L289 HydrophobicContact CE2-CD1 4.17Å
261	Y	95.4	Very high	93.7	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.016	20%	0.203	C	C	.	.	H	α-helix	trans	-70.2	-25.1	179.2	-63	-40.8	0	0	0	113.8	N51 T53 C257 I264 H266 F268 P273 P274 I276	N51-Y261 PolarHBondContact ND2-O 2.86Å; T53-Y261 HydrophobicContact CG2-CD2 4.19Å; T53-Y261 HydrophobicContact CG2-CG 4.4Å; T53-Y261 VanDerWaalsContact OG1-C 3.29Å; T53-Y261 WeakPolarHBondContact OG1-CB 3.41Å; T53-Y261 PolarHBondContact OG1-O 2.87Å; C257-Y261 HydrophobicContact CB-CE2 4.45Å; C257-Y261 VanDerWaalsContact O-CD2 3.22Å; C257-Y261 WeakPolarHBondContact O-CD2 3.05Å; C257-Y261 PolarHBondContact O-N 2.63Å; Y261-I264 CarbonylContact C-O 3.51Å; Y261-I264 CarbonylContact O-C 3.53Å; Y261-H266 HydrophobicContact CD1-CB 4.32Å; Y261-H266 AromaticContact CD1-CE1 3.83Å; Y261-H266 AromaticContact CD1-CG 3.85Å; Y261-H266 AromaticContact CD1-ND1 3.56Å; Y261-F268 HydrophobicContact CD1-CE2 4.11Å; Y261-F268 AromaticContact CD1-CZ 3.74Å; Y261-F268 HydrophobicContact CD1-CZ 3.74Å; Y261-F268 HydrophobicContact CD2-CE2 4.32Å; Y261-F268 HydrophobicContact CD2-CZ 4.34Å; Y261-F268 HydrophobicContact CE1-CE1 4.5Å; Y261-F268 HydrophobicContact CE1-CE2 4.35Å; Y261-F268 AromaticContact CE1-CZ 3.56Å; Y261-F268 HydrophobicContact CE1-CZ 3.56Å; Y261-F268 HydrophobicContact CE2-CZ 4.17Å; Y261-F268 HydrophobicContact CG-CE2 4.1Å; Y261-F268 HydrophobicContact CG-CZ 4.14Å; Y261-F268 AromaticContact CZ-CZ 3.78Å; Y261-P273 HydrophobicContact CD2-CB 4.11Å; Y261-P273 HydrophobicContact CE2-CB 4.21Å; Y261-P274 WeakPolarHBondContact CE2-O 3.26Å; Y261-P274 PolarHBondContact OH-O 2.94Å; Y261-I276 HydrophobicContact CE1-CD1 4.4Å; Y261-I276 VanDerWaalsContact OH-CG1 3.31Å; Y261-I276 WeakPolarHBondContact OH-CG1 3.45Å
262	T	94	Very high	93.5	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.018	21%	0.208	C	C	.	.	H	α-helix	trans	-69.3	-40.9	172.4	-66.1	0	0	0	0	110.5	N51 T53 D133 N258 D259 F260	N51-T262 WeakPolarHBondContact CB-O 3.31Å; N51-T262 WeakPolarHBondContact ND2-CA 3.38Å; N51-T262 PolarHBondContact ND2-O 3.41Å; T53-T262 PolarHBondContact N-OG1 2.84Å; T53-T262 PolarHBondContact OG1-N 2.67Å; D133-T262 HydrophobicContact CB-CG2 3.31Å; N258-T262 WeakPolarHBondContact O-CB 3.44Å; N258-T262 PolarHBondContact O-N 3.26Å; N258-T262 PolarHBondContact O-OG1 3.27Å; D259-T262 PolarHBondContact O-N 2.74Å; F260-T262 VanDerWaalsContact C-N 3.29Å; F260-T262 PolarHBondContact O-N 3.12Å
263	R	93.1	Very high	93.4	Very high	75 Å²	75	38.8 Å²	38.8	28%	0.283	19%	0.187	S	C	.	.	H	α-helix	trans	-77.2	-35.3	178.9	-68.8	177.4	-173.7	-79.2	-0.6	113.1	Q199 A202 D259 F260	Q199-R263 PolarHBondContact NE2-O 3.4Å; A202-R263 VanDerWaalsContact O-CD 3.24Å; A202-R263 WeakPolarHBondContact O-CD 3.44Å; D259-R263 WeakPolarHBondContact O-CG 3.48Å; D259-R263 PolarHBondContact O-N 3.29Å; F260-R263 PolarHBondContact O-N 3.18Å
264	I	93.3	Very high	93.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.205	C	C	.	.	S	Bend	trans	-116.2	101.9	179.9	-53.4	-62.9	0	0	0	107.9	Y185 L195 F260 Y261 H266 L288 L289 L292	Y185-I264 HydrophobicContact CD2-CG2 4.06Å; Y185-I264 HydrophobicContact CE2-CG2 4.23Å; L195-I264 HydrophobicContact CD2-CD1 4.06Å; F260-I264 HydrophobicContact CD2-CG1 4.42Å; F260-I264 HydrophobicContact CE2-CB 4.44Å; F260-I264 HydrophobicContact CE2-CG1 4.02Å; F260-I264 PolarHBondContact O-N 3.15Å; Y261-I264 CarbonylContact C-O 3.51Å; Y261-I264 CarbonylContact O-C 3.53Å; I264-H266 PolarHBondContact O-N 3.49Å; I264-H266 PolarHBondContact O-ND1 2.92Å; I264-L288 HydrophobicContact CG2-CD2 4.28Å; I264-L289 HydrophobicContact CD1-CD2 3.69Å; I264-L289 HydrophobicContact CG1-CD2 3.86Å; I264-L292 HydrophobicContact CG2-CD1 4.21Å
265	P	91.8	Very high	93.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.204	C	C	.	.			trans	-60.8	119.3	-177.4	-25.1	34.9	0	0	0	112.2	M49 V85 V135 Y185 D186	M49-P265 HydrophobicContact CE-CB 4.4Å; M49-P265 HydrophobicContact CE-CG 3.95Å; V85-P265 HydrophobicContact CG1-CB 4.36Å; V135-P265 HydrophobicContact CG1-CG 4.39Å; V135-P265 HydrophobicContact CG2-CG 4.15Å; Y185-P265 WeakPolarHBondContact CD2-O 3.03Å; D186-P265 HydrophobicContact CB-CB 4.28Å; D186-P265 PolarHBondContact N-O 3.03Å
266	H	92.6	Very high	93.4	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-113.5	134.5	177.8	-76.8	71.5	0	0	0	111.8	N60 V85 K184 F260 Y261 I264 F268 K285 L288	N60-H266 PolarHBondContact ND2-O 2.8Å; V85-H266 WeakPolarHBondContact CG1-O 3.39Å; K184-H266 CarbonylContact O-C 3.54Å; K184-H266 WeakPolarHBondContact O-CA 3.2Å; F260-H266 AromaticContact CE1-CE1 3.43Å; F260-H266 VanDerWaalsContact CE1-CE1 3.43Å; F260-H266 WeakPolarHBondContact CE1-CE1 3.47Å; F260-H266 AromaticContact CE1-NE2 3.85Å; F260-H266 AromaticContact CZ-CE1 3.74Å; Y261-H266 HydrophobicContact CD1-CB 4.32Å; Y261-H266 AromaticContact CD1-CE1 3.83Å; Y261-H266 AromaticContact CD1-CG 3.85Å; Y261-H266 AromaticContact CD1-ND1 3.56Å; I264-H266 PolarHBondContact O-N 3.49Å; I264-H266 PolarHBondContact O-ND1 2.92Å; H266-F268 HydrophobicContact CB-CD2 4.08Å; H266-F268 HydrophobicContact CB-CE1 3.94Å; H266-F268 HydrophobicContact CB-CE2 3.32Å; H266-F268 HydrophobicContact CB-CZ 3.24Å; H266-F268 AromaticContact CD2-CZ 3.98Å; H266-F268 AromaticContact CG-CZ 3.77Å; H266-K285 PolarHBondContact CD2-NZ 3.31Å; H266-K285 VanDerWaalsContact CD2-NZ 3.25Å; H266-K285 PolarHBondContact NE2-NZ 3.46Å; H266-L288 VanDerWaalsContact NE2-CD2 3.32Å; H266-L288 WeakPolarHBondContact NE2-CD2 3.45Å
267	D	90.3	Very high	93.4	Very high	55 Å²	55	43.5 Å²	43.5	29%	0.294	21%	0.205	S	C	.	.			trans	-85.3	110.5	170.6	-173.5	3.5	0	0	0	111	G86 K184 G269	G86-D267 VanDerWaalsContact CA-CG 3.45Å; G86-D267 WeakPolarHBondContact CA-OD2 3.4Å; K184-D267 PolarHBondContact O-N 3.38Å; D267-G269 PolarHBondContact OD1-N 2.96Å
268	F	90.5	Very high	93.2	Very high	21 Å²	21	46.7 Å²	46.7	9%	0.092	22%	0.224	C	C	.	.			trans	-106.9	12.7	174.9	-58.2	-64.9	0	0	0	112.9	N60 Y261 H266 M270 R271 P273 P274	N60-F268 WeakPolarHBondContact ND2-CD2 3.32Å; Y261-F268 HydrophobicContact CD1-CE2 4.11Å; Y261-F268 AromaticContact CD1-CZ 3.74Å; Y261-F268 HydrophobicContact CD1-CZ 3.74Å; Y261-F268 HydrophobicContact CD2-CE2 4.32Å; Y261-F268 HydrophobicContact CD2-CZ 4.34Å; Y261-F268 HydrophobicContact CE1-CE1 4.5Å; Y261-F268 HydrophobicContact CE1-CE2 4.35Å; Y261-F268 AromaticContact CE1-CZ 3.56Å; Y261-F268 HydrophobicContact CE1-CZ 3.56Å; Y261-F268 HydrophobicContact CE2-CZ 4.17Å; Y261-F268 HydrophobicContact CG-CE2 4.1Å; Y261-F268 HydrophobicContact CG-CZ 4.14Å; Y261-F268 AromaticContact CZ-CZ 3.78Å; H266-F268 HydrophobicContact CB-CD2 4.08Å; H266-F268 HydrophobicContact CB-CE1 3.94Å; H266-F268 HydrophobicContact CB-CE2 3.32Å; H266-F268 HydrophobicContact CB-CZ 3.24Å; H266-F268 AromaticContact CD2-CZ 3.98Å; H266-F268 AromaticContact CG-CZ 3.77Å; F268-M270 PolarHBondContact O-N 2.94Å; F268-R271 PolarHBondContact O-N 3.35Å; F268-P273 HydrophobicContact CD2-CB 3.6Å; F268-P273 HydrophobicContact CD2-CG 3.67Å; F268-P273 HydrophobicContact CE2-CB 3.55Å; F268-P273 HydrophobicContact CE2-CG 4.01Å; F268-P273 HydrophobicContact CG-CB 4.3Å; F268-P273 HydrophobicContact CG-CG 4.47Å; F268-P273 HydrophobicContact CZ-CB 4.22Å; F268-P274 HydrophobicContact CE1-CG 4.14Å
269	G	88.7	Confident	93	Very high	21 Å²	21	48.5 Å²	48.5	22%	0.216	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	-140.4	-168.3	0	0	0	0	0	110.2	R84 D267 R271	R84-G269 VanDerWaalsContact CZ-O 3.26Å; R84-G269 PolarHBondContact NE-O 3.12Å; R84-G269 PolarHBondContact NH2-O 2.98Å; D267-G269 PolarHBondContact OD1-N 2.96Å; G269-R271 VanDerWaalsContact C-N 3.32Å
270	M	89.3	Confident	92.8	Very high	129 Å²	129	50.3 Å²	50.3	64%	0.635	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-0.7	177.5	-64.9	-59.5	-171.3	0	0	114.7	N58 R84 K87 F268	N58-M270 PolarHBondContact ND2-O 2.81Å; R84-M270 WeakPolarHBondContact CD-SD 3.43Å; R84-M270 PolarHBondContact NH2-O 3.31Å; K87-M270 HydrophobicContact CG-CE 4.42Å; F268-M270 PolarHBondContact O-N 2.94Å
271	R	91.3	Very high	92.7	Very high	205 Å²	205	53.9 Å²	53.9	77%	0.774	27%	0.267	S	S	*	.	S	Bend	trans	-81.1	153.1	-175.4	-61.3	-178.5	-177.4	175.3	1.7	111.9	N58 R84 F268 G269	N58-R271 PolarHBondContact OD1-O 3.39Å; R84-R271 PolarHBondContact NH2-O 3.46Å; F268-R271 PolarHBondContact O-N 3.35Å; G269-R271 VanDerWaalsContact C-N 3.32Å
272	I	91.6	Very high	92.7	Very high	100 Å²	100	53.7 Å²	53.7	51%	0.513	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-57.6	130.7	170.9	-62.9	169.5	0	0	0	108.7	V55 N58	V55-I272 HydrophobicContact CG1-CG2 3.91Å; V55-I272 WeakPolarHBondContact O-CG2 3.32Å; N58-I272 HydrophobicContact CB-CG1 3.74Å; N58-I272 VanDerWaalsContact OD1-CA 3.32Å; N58-I272 WeakPolarHBondContact OD1-CA 3.3Å; N58-I272 PolarHBondContact OD1-N 2.98Å
273	P	93.7	Very high	92.6	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.006	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-54.6	127.5	171.3	-24.5	33.8	0	0	0	110.5	T53 V55 N60 Y261 F268	T53-P273 HydrophobicContact CG2-CB 4.22Å; T53-P273 HydrophobicContact CG2-CG 3.91Å; V55-P273 WeakPolarHBondContact CG1-O 3.4Å; V55-P273 HydrophobicContact CG2-CB 3.95Å; N60-P273 HydrophobicContact CB-CG 4.05Å; Y261-P273 HydrophobicContact CD2-CB 4.11Å; Y261-P273 HydrophobicContact CE2-CB 4.21Å; F268-P273 HydrophobicContact CD2-CB 3.6Å; F268-P273 HydrophobicContact CD2-CG 3.67Å; F268-P273 HydrophobicContact CE2-CB 3.55Å; F268-P273 HydrophobicContact CE2-CG 4.01Å; F268-P273 HydrophobicContact CG-CB 4.3Å; F268-P273 HydrophobicContact CG-CG 4.47Å; F268-P273 HydrophobicContact CZ-CB 4.22Å
274	P	94.8	Very high	92.5	Very high	61 Å²	61	55.9 Å²	55.9	40%	0.396	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-69.3	147.9	-178	29.5	-34.3	0	0	0	110.8	Y261 F268	Y261-P274 WeakPolarHBondContact CE2-O 3.26Å; Y261-P274 PolarHBondContact OH-O 2.94Å; F268-P274 HydrophobicContact CE1-CG 4.14Å
275	V	96.1	Very high	92.6	Very high	21 Å²	21	56.9 Å²	56.9	13%	0.127	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-79.8	132	169.9	-177.8	0	0	0	0	108.2	V55 L253 L254 R277	V55-V275 HydrophobicContact CG1-CG2 4.03Å; L253-V275 HydrophobicContact CD2-CG1 4.17Å; L253-V275 HydrophobicContact CG-CG1 4.15Å; L254-V275 HydrophobicContact CD1-CG2 3.59Å; V275-R277 HydrophobicContact CB-CG 4.23Å; V275-R277 HydrophobicContact CG1-CG 3.99Å; V275-R277 PolarHBondContact O-N 3.17Å
276	I	96.3	Very high	92.7	Very high	3 Å²	3	57.1 Å²	57.1	2%	0.015	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-73.7	117.2	172.5	-55.7	171.8	0	0	0	107.1	L207 V210 I214 C257 F260 Y261 E281 V282 K285	L207-I276 HydrophobicContact CD1-CD1 3.97Å; V210-I276 HydrophobicContact CG1-CB 3.75Å; V210-I276 HydrophobicContact CG1-CD1 4.36Å; V210-I276 HydrophobicContact CG1-CG2 3.71Å; I214-I276 HydrophobicContact CD1-CG2 4.2Å; C257-I276 PolarHBondContact SG-N 2.71Å; C257-I276 VanDerWaalsContact SG-N 3.43Å; F260-I276 HydrophobicContact CD1-CD1 3.82Å; F260-I276 HydrophobicContact CE1-CD1 4.12Å; Y261-I276 HydrophobicContact CE1-CD1 4.4Å; Y261-I276 VanDerWaalsContact OH-CG1 3.31Å; Y261-I276 WeakPolarHBondContact OH-CG1 3.45Å; I276-E281 HydrophobicContact CG2-CB 3.76Å; I276-V282 HydrophobicContact CG2-CG2 3.77Å; I276-K285 HydrophobicContact CD1-CG 3.92Å
277	R	94.9	Very high	92.6	Very high	147 Å²	147	58.2 Å²	58.2	56%	0.555	30%	0.295	S	S	*	.			trans	-122.6	-16.3	-172.1	-67.7	-179.4	-176.7	-76.2	0.5	113.8	V275 E281	V275-R277 HydrophobicContact CB-CG 4.23Å; V275-R277 HydrophobicContact CG1-CG 3.99Å; V275-R277 PolarHBondContact O-N 3.17Å; R277-E281 PolarHBondContact N-OE2 3.42Å
278	T	93.4	Very high	92.7	Very high	67 Å²	67	55.6 Å²	55.6	41%	0.411	28%	0.281	S	S	.	.	S	Bend	trans	-125.6	153.8	-174.9	67.3	0	0	0	0	111.9	S280 E281 V282	T278-S280 PolarHBondContact O-N 3.16Å; T278-E281 PolarHBondContact N-OE2 2.91Å; T278-E281 PolarHBondContact O-N 3.17Å; T278-E281 VanDerWaalsContact O-N 3.07Å; T278-E281 VanDerWaalsContact OG1-CG 3.28Å; T278-E281 WeakPolarHBondContact OG1-CG 3.45Å; T278-E281 PolarHBondContact OG1-N 3.08Å; T278-E281 PolarHBondContact OG1-OE2 2.74Å; T278-E281 VanDerWaalsContact OG1-OE2 3.07Å; T278-V282 PolarHBondContact O-N 2.94Å; T278-V282 VanDerWaalsContact O-N 3.08Å
279	M	90.5	Very high	92.9	Very high	49 Å²	49	54.6 Å²	54.6	24%	0.241	28%	0.276	C	S	.	.	H	α-helix	trans	-64.7	-25.3	174.8	-67	-51.3	-179.8	0	0	113.3	I214 D215 E281 V282 K283 T407	I214-M279 HydrophobicContact CB-CE 3.92Å; I214-M279 HydrophobicContact CG2-CE 3.75Å; I214-M279 HydrophobicContact CG2-SD 4.28Å; D215-M279 HydrophobicContact CB-CE 4.29Å; D215-M279 WeakPolarHBondContact OD1-CE 3.46Å; D215-M279 WeakPolarHBondContact OD2-CE 3.2Å; M279-E281 VanDerWaalsContact C-N 3.34Å; M279-V282 PolarHBondContact O-N 2.96Å; M279-V282 HydrophobicContact SD-CB 4.37Å; M279-V282 HydrophobicContact SD-CG2 4.13Å; M279-K283 WeakPolarHBondContact O-CB 3.35Å; M279-K283 PolarHBondContact O-N 3.41Å; M279-T407 WeakPolarHBondContact CE-OG1 3.4Å; M279-T407 PolarHBondContact SD-OG1 2.85Å
280	S	91.5	Very high	93	Very high	94 Å²	94	56.4 Å²	56.4	66%	0.657	28%	0.279	S	S	*	.	H	α-helix	trans	-64.4	-39.7	171.7	-170.7	0	0	0	0	111.9	T278 K283 S284	T278-S280 PolarHBondContact O-N 3.16Å; S280-K283 PolarHBondContact O-N 3.41Å; S280-S284 PolarHBondContact O-N 2.99Å; S280-S284 VanDerWaalsContact O-N 3.08Å
281	E	94.2	Very high	93	Very high	75 Å²	75	50.3 Å²	50.3	35%	0.35	25%	0.249	S	C	.	.	H	α-helix	trans	-71.2	-38.2	175.9	-68.1	165.2	139.3	0	0	111.3	I276 R277 T278 M279 K283 S284 K285	I276-E281 HydrophobicContact CG2-CB 3.76Å; R277-E281 PolarHBondContact N-OE2 3.42Å; T278-E281 PolarHBondContact N-OE2 2.91Å; T278-E281 PolarHBondContact O-N 3.17Å; T278-E281 VanDerWaalsContact O-N 3.07Å; T278-E281 VanDerWaalsContact OG1-CG 3.28Å; T278-E281 WeakPolarHBondContact OG1-CG 3.45Å; T278-E281 PolarHBondContact OG1-N 3.08Å; T278-E281 PolarHBondContact OG1-OE2 2.74Å; T278-E281 VanDerWaalsContact OG1-OE2 3.07Å; M279-E281 VanDerWaalsContact C-N 3.34Å; E281-K283 VanDerWaalsContact C-N 3.35Å; E281-S284 PolarHBondContact O-N 2.94Å; E281-K285 WeakPolarHBondContact O-CG 3.46Å; E281-K285 PolarHBondContact O-N 2.96Å; E281-K285 VanDerWaalsContact O-N 3.07Å
282	V	94.8	Very high	93	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-57.8	-48.1	171.9	173.8	0	0	0	0	110.4	L207 V210 I214 I276 T278 M279 S284 K285 I286 P405	L207-V282 HydrophobicContact CD1-CG1 4.4Å; L207-V282 HydrophobicContact CD2-CG1 4.47Å; L207-V282 HydrophobicContact CG-CG1 4.23Å; V210-V282 HydrophobicContact CG1-CG2 4.33Å; I214-V282 HydrophobicContact CD1-CG2 3.7Å; I276-V282 HydrophobicContact CG2-CG2 3.77Å; T278-V282 PolarHBondContact O-N 2.94Å; T278-V282 VanDerWaalsContact O-N 3.08Å; M279-V282 PolarHBondContact O-N 2.96Å; M279-V282 HydrophobicContact SD-CB 4.37Å; M279-V282 HydrophobicContact SD-CG2 4.13Å; V282-S284 VanDerWaalsContact C-N 3.34Å; V282-S284 PolarHBondContact O-N 3.28Å; V282-K285 CarbonylContact O-C 3.6Å; V282-K285 WeakPolarHBondContact O-CA 3.37Å; V282-K285 PolarHBondContact O-N 3.31Å; V282-I286 HydrophobicContact CG1-CD1 4.11Å; V282-I286 HydrophobicContact CG1-CG1 4.47Å; V282-I286 WeakPolarHBondContact O-CG1 3.39Å; V282-I286 PolarHBondContact O-N 2.95Å; V282-P405 HydrophobicContact CG1-CB 4.22Å; V282-P405 HydrophobicContact CG1-CG 4Å
283	K	92.3	Very high	92.9	Very high	71 Å²	71	37.4 Å²	37.4	31%	0.309	20%	0.198	S	C	.	.	H	α-helix	trans	-56	-47.3	176.2	-177.7	-178.4	177.1	-177.3	0	111.6	M279 S280 E281 K285 I286 E287 Y427	M279-K283 WeakPolarHBondContact O-CB 3.35Å; M279-K283 PolarHBondContact O-N 3.41Å; S280-K283 PolarHBondContact O-N 3.41Å; E281-K283 VanDerWaalsContact C-N 3.35Å; K283-K285 PolarHBondContact O-N 2.65Å; K283-I286 WeakPolarHBondContact O-CB 3.49Å; K283-I286 PolarHBondContact O-N 3.31Å; K283-I286 VanDerWaalsContact O-N 3.15Å; K283-E287 VanDerWaalsContact CE-OE1 3.27Å; K283-E287 WeakPolarHBondContact CE-OE1 3.39Å; K283-E287 WeakPolarHBondContact O-CG 3.27Å; K283-E287 PolarHBondContact O-N 2.91Å; K283-Y427 PolarHBondContact NZ-OH 2.75Å
284	S	91.8	Very high	92.7	Very high	53 Å²	53	38 Å²	38	37%	0.371	20%	0.202	S	C	.	.	H	α-helix	trans	-59	-32.5	176.3	176.9	0	0	0	0	113	S280 E281 V282 L288	S280-S284 PolarHBondContact O-N 2.99Å; S280-S284 VanDerWaalsContact O-N 3.08Å; E281-S284 PolarHBondContact O-N 2.94Å; V282-S284 VanDerWaalsContact C-N 3.34Å; V282-S284 PolarHBondContact O-N 3.28Å; S284-L288 PolarHBondContact O-N 3.01Å
285	K	94.6	Very high	92.3	Very high	22 Å²	22	35.2 Å²	35.2	10%	0.096	18%	0.183	C	C	.	.	H	α-helix	trans	-79.3	-31.5	176.1	-65	-45.8	-179.2	-178.3	0	114	L207 F260 H266 I276 E281 V282 K283 L288 L289	L207-K285 HydrophobicContact CD1-CB 3.79Å; L207-K285 HydrophobicContact CD1-CG 4.36Å; L207-K285 HydrophobicContact CD2-CB 3.6Å; L207-K285 HydrophobicContact CG-CB 4.38Å; F260-K285 HydrophobicContact CE1-CB 4.11Å; F260-K285 HydrophobicContact CE1-CD 3.84Å; F260-K285 HydrophobicContact CE1-CG 3.77Å; F260-K285 HydrophobicContact CZ-CB 3.77Å; F260-K285 HydrophobicContact CZ-CD 4.04Å; F260-K285 HydrophobicContact CZ-CG 3.94Å; H266-K285 PolarHBondContact CD2-NZ 3.31Å; H266-K285 VanDerWaalsContact CD2-NZ 3.25Å; H266-K285 PolarHBondContact NE2-NZ 3.46Å; I276-K285 HydrophobicContact CD1-CG 3.92Å; E281-K285 WeakPolarHBondContact O-CG 3.46Å; E281-K285 PolarHBondContact O-N 2.96Å; E281-K285 VanDerWaalsContact O-N 3.07Å; V282-K285 CarbonylContact O-C 3.6Å; V282-K285 WeakPolarHBondContact O-CA 3.37Å; V282-K285 PolarHBondContact O-N 3.31Å; K283-K285 PolarHBondContact O-N 2.65Å; K285-L288 HydrophobicContact CD-CD2 4.44Å; K285-L288 PolarHBondContact O-N 3.16Å; K285-L289 WeakPolarHBondContact O-CG 3.02Å; K285-L289 PolarHBondContact O-N 2.97Å
286	I	93.7	Very high	91.8	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.021	18%	0.178	C	C	.	.	H	α-helix	trans	-59.2	-50.2	167.9	-72.4	171.4	0	0	0	109.5	L207 V282 K283 L288 L289 E290 P405 Y409	L207-I286 HydrophobicContact CD2-CG1 3.74Å; V282-I286 HydrophobicContact CG1-CD1 4.11Å; V282-I286 HydrophobicContact CG1-CG1 4.47Å; V282-I286 WeakPolarHBondContact O-CG1 3.39Å; V282-I286 PolarHBondContact O-N 2.95Å; K283-I286 WeakPolarHBondContact O-CB 3.49Å; K283-I286 PolarHBondContact O-N 3.31Å; K283-I286 VanDerWaalsContact O-N 3.15Å; I286-L288 PolarHBondContact O-N 2.86Å; I286-L289 PolarHBondContact O-N 3.3Å; I286-E290 HydrophobicContact CG2-CG 4.29Å; I286-E290 WeakPolarHBondContact CG2-OE1 3.34Å; I286-E290 WeakPolarHBondContact O-CG 3.36Å; I286-E290 PolarHBondContact O-N 3.17Å; I286-P405 HydrophobicContact CD1-CB 4.31Å; I286-P405 HydrophobicContact CD1-CG 3.89Å; I286-P405 HydrophobicContact CG1-CG 4.03Å; I286-Y409 HydrophobicContact CD1-CD2 4.44Å; I286-Y409 HydrophobicContact CD1-CE2 3.9Å; I286-Y409 HydrophobicContact CG2-CE1 4.34Å; I286-Y409 HydrophobicContact CG2-CE2 4.36Å; I286-Y409 WeakPolarHBondContact CG2-OH 3.41Å
287	E	90.9	Very high	91.3	Very high	23 Å²	23	35.9 Å²	35.9	11%	0.107	19%	0.185	C	C	.	.	H	α-helix	trans	-59.6	-34.7	-179.9	-69.1	173.9	-168.6	0	0	112.6	K283 A291 Y429	K283-E287 VanDerWaalsContact CE-OE1 3.27Å; K283-E287 WeakPolarHBondContact CE-OE1 3.39Å; K283-E287 WeakPolarHBondContact O-CG 3.27Å; K283-E287 PolarHBondContact O-N 2.91Å; E287-A291 WeakPolarHBondContact O-CB 3.43Å; E287-A291 PolarHBondContact O-N 2.77Å; E287-Y429 PolarHBondContact OE1-OH 2.9Å; E287-Y429 VanDerWaalsContact OE1-OH 3.08Å; E287-Y429 PolarHBondContact OE2-OH 3.43Å
288	L	92.1	Very high	90.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-62.2	-46.9	171.4	165.2	64.2	0	0	0	111.9	L183 I264 H266 S284 K285 I286 E290 A291 L292	L183-L288 HydrophobicContact CB-CB 4.36Å; L183-L288 HydrophobicContact CB-CD1 3.62Å; L183-L288 HydrophobicContact CB-CG 4.42Å; L183-L288 HydrophobicContact CD1-CB 4.4Å; L183-L288 HydrophobicContact CD1-CD1 4.02Å; L183-L288 HydrophobicContact CG-CD1 4.43Å; I264-L288 HydrophobicContact CG2-CD2 4.28Å; H266-L288 VanDerWaalsContact NE2-CD2 3.32Å; H266-L288 WeakPolarHBondContact NE2-CD2 3.45Å; S284-L288 PolarHBondContact O-N 3.01Å; K285-L288 HydrophobicContact CD-CD2 4.44Å; K285-L288 PolarHBondContact O-N 3.16Å; I286-L288 PolarHBondContact O-N 2.86Å; L288-E290 VanDerWaalsContact C-N 3.35Å; L288-A291 PolarHBondContact O-N 3.29Å; L288-L292 HydrophobicContact CD1-CD1 3.85Å; L288-L292 HydrophobicContact CD1-CD2 4.44Å; L288-L292 HydrophobicContact CD1-CG 3.87Å; L288-L292 HydrophobicContact CG-CD1 4.11Å; L288-L292 HydrophobicContact CG-CG 4.49Å; L288-L292 VanDerWaalsContact O-CG 3.3Å; L288-L292 WeakPolarHBondContact O-CG 3.47Å; L288-L292 PolarHBondContact O-N 2.88Å
289	L	93.5	Very high	90.3	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-67.5	-35.8	-179.3	-68.3	173	0	0	0	112.4	I200 Y204 L207 F260 I264 K285 I286 L292 S293	I200-L289 HydrophobicContact CG2-CB 4.43Å; I200-L289 HydrophobicContact CG2-CD2 4.27Å; Y204-L289 HydrophobicContact CD1-CB 4.28Å; Y204-L289 HydrophobicContact CD1-CD1 3.38Å; Y204-L289 HydrophobicContact CD1-CG 4.48Å; Y204-L289 HydrophobicContact CD2-CB 4.32Å; Y204-L289 HydrophobicContact CD2-CD1 4.04Å; Y204-L289 HydrophobicContact CE1-CB 3.66Å; Y204-L289 HydrophobicContact CE1-CD1 3.61Å; Y204-L289 HydrophobicContact CE1-CG 4.3Å; Y204-L289 HydrophobicContact CE2-CB 3.71Å; Y204-L289 HydrophobicContact CE2-CD1 4.23Å; Y204-L289 HydrophobicContact CG-CD1 3.62Å; Y204-L289 WeakPolarHBondContact OH-CB 3.48Å; L207-L289 HydrophobicContact CD2-CD1 4.14Å; F260-L289 HydrophobicContact CE2-CD1 4.17Å; I264-L289 HydrophobicContact CD1-CD2 3.69Å; I264-L289 HydrophobicContact CG1-CD2 3.86Å; K285-L289 WeakPolarHBondContact O-CG 3.02Å; K285-L289 PolarHBondContact O-N 2.97Å; I286-L289 PolarHBondContact O-N 3.3Å; L289-L292 PolarHBondContact O-N 2.65Å; L289-S293 WeakPolarHBondContact O-CB 3.46Å; L289-S293 PolarHBondContact O-N 3.02Å
290	E	91.6	Very high	89.8	Confident	60 Å²	60	25.6 Å²	25.6	28%	0.28	14%	0.139	S	C	.	.	H	α-helix	trans	-61.6	-50.4	172.9	-68.8	174.4	169.3	0	0	110.3	Y204 I286 L288 L292 S293 D294 Y409	Y204-E290 WeakPolarHBondContact OH-CG 3.2Å; Y204-E290 PolarHBondContact OH-N 3.22Å; I286-E290 HydrophobicContact CG2-CG 4.29Å; I286-E290 WeakPolarHBondContact CG2-OE1 3.34Å; I286-E290 WeakPolarHBondContact O-CG 3.36Å; I286-E290 PolarHBondContact O-N 3.17Å; L288-E290 VanDerWaalsContact C-N 3.35Å; E290-L292 PolarHBondContact O-N 3.41Å; E290-S293 WeakPolarHBondContact O-CB 3.41Å; E290-S293 PolarHBondContact O-N 3.04Å; E290-S293 VanDerWaalsContact O-N 3.12Å; E290-D294 PolarHBondContact O-N 2.96Å; E290-Y409 PolarHBondContact OE1-OH 2.74Å
291	A	89.7	Confident	89.1	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-60.2	-42.3	177	0	0	0	0	0	112.7	L183 E287 L288 S293 D294 I295	L183-A291 HydrophobicContact CD1-CB 4.14Å; E287-A291 WeakPolarHBondContact O-CB 3.43Å; E287-A291 PolarHBondContact O-N 2.77Å; L288-A291 PolarHBondContact O-N 3.29Å; A291-S293 VanDerWaalsContact C-N 3.32Å; A291-S293 PolarHBondContact O-N 3.07Å; A291-D294 PolarHBondContact O-N 3.48Å; A291-I295 WeakPolarHBondContact O-CB 3.17Å; A291-I295 WeakPolarHBondContact O-CD1 3.22Å; A291-I295 VanDerWaalsContact O-CG1 3.22Å; A291-I295 WeakPolarHBondContact O-CG1 3.47Å; A291-I295 PolarHBondContact O-N 2.91Å
292	L	90.3	Very high	88.2	Confident	8 Å²	8	19.3 Å²	19.3	4%	0.042	10%	0.1	C	C	.	.	H	α-helix	trans	-62.5	-39.3	175.4	-72.1	175.5	0	0	0	112	T180 Y185 L195 I200 I264 L288 L289 E290 E296	T180-L292 HydrophobicContact CG2-CD2 3.99Å; Y185-L292 HydrophobicContact CD1-CD2 3.84Å; Y185-L292 HydrophobicContact CD2-CD1 3.85Å; Y185-L292 HydrophobicContact CD2-CD2 4.1Å; Y185-L292 HydrophobicContact CE1-CD2 3.84Å; Y185-L292 HydrophobicContact CE2-CD1 3.85Å; Y185-L292 HydrophobicContact CE2-CD2 4.09Å; Y185-L292 HydrophobicContact CG-CD1 4.45Å; Y185-L292 HydrophobicContact CG-CD2 3.97Å; L195-L292 HydrophobicContact CD2-CD1 4.16Å; I200-L292 HydrophobicContact CD1-CB 4.2Å; I264-L292 HydrophobicContact CG2-CD1 4.21Å; L288-L292 HydrophobicContact CD1-CD1 3.85Å; L288-L292 HydrophobicContact CD1-CD2 4.44Å; L288-L292 HydrophobicContact CD1-CG 3.87Å; L288-L292 HydrophobicContact CG-CD1 4.11Å; L288-L292 HydrophobicContact CG-CG 4.49Å; L288-L292 VanDerWaalsContact O-CG 3.3Å; L288-L292 WeakPolarHBondContact O-CG 3.47Å; L288-L292 PolarHBondContact O-N 2.88Å; L289-L292 PolarHBondContact O-N 2.65Å; E290-L292 PolarHBondContact O-N 3.41Å; L292-E296 WeakPolarHBondContact O-CB 3.27Å; L292-E296 PolarHBondContact O-N 2.98Å
293	S	90.4	Very high	87	Confident	26 Å²	26	22.7 Å²	22.7	18%	0.182	12%	0.115	C	C	.	.	H	α-helix	trans	-66	-41.7	176.7	-179.3	0	0	0	0	112.1	L289 E290 A291 F297	L289-S293 WeakPolarHBondContact O-CB 3.46Å; L289-S293 PolarHBondContact O-N 3.02Å; E290-S293 WeakPolarHBondContact O-CB 3.41Å; E290-S293 PolarHBondContact O-N 3.04Å; E290-S293 VanDerWaalsContact O-N 3.12Å; A291-S293 VanDerWaalsContact C-N 3.32Å; A291-S293 PolarHBondContact O-N 3.07Å; S293-F297 WeakPolarHBondContact O-CB 3.41Å; S293-F297 PolarHBondContact O-N 3.49Å; S293-F297 VanDerWaalsContact O-N 3.07Å
294	D	89.8	Confident	85.4	Confident	15 Å²	15	24.9 Å²	24.9	8%	0.08	13%	0.13	C	C	.	.	H	α-helix	trans	-69.7	-38	178.5	-76.4	-36.5	0	0	0	111.9	E290 A291 F297 A298 N388 R395	E290-D294 PolarHBondContact O-N 2.96Å; A291-D294 PolarHBondContact O-N 3.48Å; D294-F297 PolarHBondContact O-N 3.2Å; D294-A298 VanDerWaalsContact O-CB 3.29Å; D294-A298 WeakPolarHBondContact O-CB 3.44Å; D294-A298 PolarHBondContact O-N 2.77Å; D294-N388 HydrophobicContact CB-CB 4.32Å; D294-N388 WeakPolarHBondContact OD2-CB 3.45Å; D294-N388 PolarHBondContact OD2-OD1 3.29Å; D294-R395 IonicContact OD1-CZ 3.41Å; D294-R395 IonicContact OD1-NE 2.78Å; D294-R395 IonicContact OD1-NH2 3.35Å; D294-R395 PolarHBondContact OD1-NH2 3.14Å
295	I	86.7	Confident	83.7	Confident	1 Å²	1	25.4 Å²	25.4	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-66.4	-42.6	175.3	-68.7	166	0	0	0	110.9	M176 T180 L192 A291 F297 A298 V299 T387	M176-I295 HydrophobicContact CB-CD1 4.1Å; M176-I295 HydrophobicContact CB-CG1 4.22Å; M176-I295 HydrophobicContact CG-CG1 4.15Å; M176-I295 HydrophobicContact SD-CG1 4.27Å; M176-I295 HydrophobicContact SD-CG2 4.18Å; T180-I295 HydrophobicContact CG2-CD1 3.43Å; T180-I295 VanDerWaalsContact CG2-CD1 3.43Å; L192-I295 HydrophobicContact CB-CG2 3.87Å; L192-I295 HydrophobicContact CD1-CG2 4.29Å; L192-I295 HydrophobicContact CD2-CG2 4.19Å; L192-I295 HydrophobicContact CG-CG2 4.37Å; A291-I295 WeakPolarHBondContact O-CB 3.17Å; A291-I295 WeakPolarHBondContact O-CD1 3.22Å; A291-I295 VanDerWaalsContact O-CG1 3.22Å; A291-I295 WeakPolarHBondContact O-CG1 3.47Å; A291-I295 PolarHBondContact O-N 2.91Å; I295-F297 VanDerWaalsContact C-N 3.33Å; I295-F297 PolarHBondContact O-N 3.46Å; I295-A298 PolarHBondContact O-N 2.9Å; I295-V299 HydrophobicContact CG2-CG2 3.98Å; I295-V299 VanDerWaalsContact O-CB 3.28Å; I295-V299 WeakPolarHBondContact O-CB 3.45Å; I295-V299 WeakPolarHBondContact O-CG2 3.23Å; I295-V299 PolarHBondContact O-N 3.31Å; I295-T387 HydrophobicContact CD1-CG2 4.22Å; I295-T387 HydrophobicContact CG1-CG2 4.46Å
296	E	85.3	Confident	81.7	Confident	3 Å²	3	30.9 Å²	30.9	1%	0.014	16%	0.155	C	C	.	.	H	α-helix	trans	-57.4	-48	174.4	177.5	-83.8	144.1	0	0	111.5	K197 I200 L292 A298 V299 N300	K197-E296 VanDerWaalsContact CE-CD 3.49Å; K197-E296 WeakPolarHBondContact CE-OE1 3.24Å; K197-E296 WeakPolarHBondContact CE-OE2 3.48Å; K197-E296 WeakPolarHBondContact CG-OE2 3.45Å; I200-E296 HydrophobicContact CD1-CB 4.42Å; L292-E296 WeakPolarHBondContact O-CB 3.27Å; L292-E296 PolarHBondContact O-N 2.98Å; E296-A298 PolarHBondContact O-N 3.37Å; E296-V299 PolarHBondContact O-N 2.9Å; E296-N300 WeakPolarHBondContact O-CB 3.4Å; E296-N300 PolarHBondContact O-N 3.47Å; E296-N300 PolarHBondContact OE1-ND2 3.47Å
297	F	85.4	Confident	79.9	Confident	36 Å²	36	33.2 Å²	33.2	16%	0.158	17%	0.172	C	C	.	.	H	α-helix	trans	-59.1	-47.8	174.5	176.6	-100	0	0	0	112.2	S293 D294 I295 N300 I301 R395	S293-F297 WeakPolarHBondContact O-CB 3.41Å; S293-F297 PolarHBondContact O-N 3.49Å; S293-F297 VanDerWaalsContact O-N 3.07Å; D294-F297 PolarHBondContact O-N 3.2Å; I295-F297 VanDerWaalsContact C-N 3.33Å; I295-F297 PolarHBondContact O-N 3.46Å; F297-N300 PolarHBondContact O-N 2.82Å; F297-I301 HydrophobicContact CD1-CD1 4.11Å; F297-I301 HydrophobicContact CD2-CD1 4.34Å; F297-I301 HydrophobicContact CE1-CD1 3.39Å; F297-I301 HydrophobicContact CE1-CG1 4.37Å; F297-I301 HydrophobicContact CE2-CD1 3.66Å; F297-I301 HydrophobicContact CE2-CG1 4.28Å; F297-I301 HydrophobicContact CZ-CD1 3.15Å; F297-I301 HydrophobicContact CZ-CG1 4.18Å; F297-I301 PolarHBondContact O-N 2.84Å; F297-R395 HydrophobicContact CE1-CG 4.33Å; F297-R395 HydrophobicContact CZ-CB 4.16Å; F297-R395 HydrophobicContact CZ-CG 4.15Å
298	A	85.1	Confident	78.6	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.3	-49.8	180	0	0	0	0	0	111.5	M176 D294 I295 E296 N300 I301 L302 V390	M176-A298 HydrophobicContact CE-CB 3.93Å; D294-A298 VanDerWaalsContact O-CB 3.29Å; D294-A298 WeakPolarHBondContact O-CB 3.44Å; D294-A298 PolarHBondContact O-N 2.77Å; I295-A298 PolarHBondContact O-N 2.9Å; E296-A298 PolarHBondContact O-N 3.37Å; A298-N300 VanDerWaalsContact C-N 3.3Å; A298-N300 PolarHBondContact O-N 3.26Å; A298-I301 PolarHBondContact O-N 2.83Å; A298-L302 VanDerWaalsContact O-CB 3.28Å; A298-L302 WeakPolarHBondContact O-CB 3.48Å; A298-L302 WeakPolarHBondContact O-CG 3.44Å; A298-L302 PolarHBondContact O-N 3.48Å; A298-V390 HydrophobicContact CB-CB 3.73Å; A298-V390 HydrophobicContact CB-CG1 3.61Å; A298-V390 HydrophobicContact CB-CG2 4.19Å
299	V	81.8	Confident	77.8	Confident	6 Å²	6	40.9 Å²	40.9	4%	0.036	22%	0.223	C	C	.	.	H	α-helix	trans	-58.3	-43.9	178.1	168.4	0	0	0	0	110.6	F173 I295 E296 L302 K303	F173-V299 HydrophobicContact CD1-CG2 4.37Å; F173-V299 HydrophobicContact CE1-CG2 3.84Å; I295-V299 HydrophobicContact CG2-CG2 3.98Å; I295-V299 VanDerWaalsContact O-CB 3.28Å; I295-V299 WeakPolarHBondContact O-CB 3.45Å; I295-V299 WeakPolarHBondContact O-CG2 3.23Å; I295-V299 PolarHBondContact O-N 3.31Å; E296-V299 PolarHBondContact O-N 2.9Å; V299-L302 PolarHBondContact O-N 2.9Å; V299-K303 HydrophobicContact CG1-CD 3.85Å; V299-K303 HydrophobicContact CG1-CG 4.23Å; V299-K303 VanDerWaalsContact CG1-NZ 3.33Å; V299-K303 WeakPolarHBondContact O-CB 3.42Å; V299-K303 WeakPolarHBondContact O-CG 3.49Å; V299-K303 PolarHBondContact O-N 2.85Å
300	N	79.8	Confident	77.1	Confident	41 Å²	41	44.4 Å²	44.4	22%	0.219	24%	0.24	C	C	.	.	H	α-helix	trans	-69.4	-37.4	-179.6	-79.4	-11.6	0	0	0	112.8	E296 F297 A298 K303	E296-N300 WeakPolarHBondContact O-CB 3.4Å; E296-N300 PolarHBondContact O-N 3.47Å; E296-N300 PolarHBondContact OE1-ND2 3.47Å; F297-N300 PolarHBondContact O-N 2.82Å; A298-N300 VanDerWaalsContact C-N 3.3Å; A298-N300 PolarHBondContact O-N 3.26Å; N300-K303 PolarHBondContact OD1-NZ 3.49Å
301	I	78	Confident	76.9	Confident	30 Å²	30	42.8 Å²	42.8	15%	0.154	23%	0.233	C	C	.	.	H	α-helix	trans	-65.7	-42.1	171.2	-78.3	-168.4	0	0	0	111.4	F297 A298 R319	F297-I301 HydrophobicContact CD1-CD1 4.11Å; F297-I301 HydrophobicContact CD2-CD1 4.34Å; F297-I301 HydrophobicContact CE1-CD1 3.39Å; F297-I301 HydrophobicContact CE1-CG1 4.37Å; F297-I301 HydrophobicContact CE2-CD1 3.66Å; F297-I301 HydrophobicContact CE2-CG1 4.28Å; F297-I301 HydrophobicContact CZ-CD1 3.15Å; F297-I301 HydrophobicContact CZ-CG1 4.18Å; F297-I301 PolarHBondContact O-N 2.84Å; A298-I301 PolarHBondContact O-N 2.83Å; I301-R319 HydrophobicContact CG2-CB 3.54Å; I301-R319 HydrophobicContact CG2-CG 4.25Å; I301-R319 WeakPolarHBondContact O-CD 3.42Å; I301-R319 VanDerWaalsContact O-CZ 3.3Å; I301-R319 PolarHBondContact O-NE 2.89Å; I301-R319 PolarHBondContact O-NH1 3.33Å
302	L	75.5	Confident	76.6	Confident	7 Å²	7	46.7 Å²	46.7	4%	0.037	25%	0.253	C	S	.	.	H	α-helix	trans	-78.6	-24.1	-174.4	-65.1	173.5	0	0	0	113.1	C171 F173 A298 V299 N304 N305 N316 R319	C171-L302 HydrophobicContact CB-CD1 4.05Å; C171-L302 HydrophobicContact CB-CD2 4.48Å; F173-L302 HydrophobicContact CE1-CD1 4.47Å; F173-L302 HydrophobicContact CE2-CD1 4.01Å; F173-L302 HydrophobicContact CZ-CB 4.1Å; F173-L302 HydrophobicContact CZ-CD1 3.7Å; A298-L302 VanDerWaalsContact O-CB 3.28Å; A298-L302 WeakPolarHBondContact O-CB 3.48Å; A298-L302 WeakPolarHBondContact O-CG 3.44Å; A298-L302 PolarHBondContact O-N 3.48Å; V299-L302 PolarHBondContact O-N 2.9Å; L302-N304 VanDerWaalsContact C-N 3.33Å; L302-N304 PolarHBondContact O-N 3Å; L302-N305 PolarHBondContact O-ND2 2.99Å; L302-N305 PolarHBondContact O-OD1 3.24Å; L302-N316 HydrophobicContact CD2-CB 3.86Å; L302-N316 WeakPolarHBondContact CD2-ND2 3.06Å; L302-N316 VanDerWaalsContact CD2-OD1 3.26Å; L302-N316 WeakPolarHBondContact CD2-OD1 3.27Å; L302-R319 PolarHBondContact O-NH1 3.43Å
303	K	69	Low	76.6	Confident	71 Å²	71	47 Å²	47	31%	0.309	26%	0.255	S	S	.	.	H	α-helix	trans	-65.7	-25.3	-179.8	-84.6	168.2	-178.3	159.2	0	114.6	G193 V299 N300 N305	G193-K303 PolarHBondContact O-NZ 2.91Å; V299-K303 HydrophobicContact CG1-CD 3.85Å; V299-K303 HydrophobicContact CG1-CG 4.23Å; V299-K303 VanDerWaalsContact CG1-NZ 3.33Å; V299-K303 WeakPolarHBondContact O-CB 3.42Å; V299-K303 WeakPolarHBondContact O-CG 3.49Å; V299-K303 PolarHBondContact O-N 2.85Å; N300-K303 PolarHBondContact OD1-NZ 3.49Å; K303-N305 PolarHBondContact O-N 2.7Å
304	N	58	Low	76.6	Confident	116 Å²	116	46.5 Å²	46.5	62%	0.62	25%	0.25	S	C	*	.			trans	-71	23.5	-175.3	-71.8	-10	0	0	0	115	L302 Q306 R319	L302-N304 VanDerWaalsContact C-N 3.33Å; L302-N304 PolarHBondContact O-N 3Å; N304-Q306 VanDerWaalsContact C-N 3.34Å; N304-Q306 PolarHBondContact O-N 2.98Å; N304-R319 PolarHBondContact O-NH2 3.22Å
305	N	57.3	Low	76.5	Confident	64 Å²	64	46.5 Å²	46.5	34%	0.342	25%	0.251	S	S	.	.			trans	-77.5	70	-174.7	-70.1	-16.7	0	0	0	112.8	L302 K303 I312 R319	L302-N305 PolarHBondContact O-ND2 2.99Å; L302-N305 PolarHBondContact O-OD1 3.24Å; K303-N305 PolarHBondContact O-N 2.7Å; N305-I312 HydrophobicContact CB-CD1 3.78Å; N305-I312 WeakPolarHBondContact ND2-CD1 3.5Å; N305-I312 WeakPolarHBondContact OD1-CD1 3.31Å; N305-R319 VanDerWaalsContact OD1-CZ 3.3Å; N305-R319 PolarHBondContact OD1-NH1 2.81Å; N305-R319 PolarHBondContact OD1-NH2 3.29Å
306	Q	51.7	Low	76.7	Confident	138 Å²	138	47.3 Å²	47.3	65%	0.645	26%	0.255	S	S	*	.			trans	-106.8	-5.4	173.2	-64.4	-170.6	12.6	0	0	114.1	D143 N304 S308	D143-Q306 PolarHBondContact OD2-NE2 3.42Å; N304-Q306 VanDerWaalsContact C-N 3.34Å; N304-Q306 PolarHBondContact O-N 2.98Å; Q306-S308 PolarHBondContact O-N 3.2Å; Q306-S308 VanDerWaalsContact O-N 3.16Å
307	S	55.3	Low	77	Confident	53 Å²	53	48.8 Å²	48.8	37%	0.371	26%	0.26	S	S	.	.			trans	-74.4	111.2	176.8	-174.5	0	0	0	0	110.9	T309	S307-T309 VanDerWaalsContact C-N 3.27Å; S307-T309 PolarHBondContact OG-N 3.44Å; S307-T309 PolarHBondContact OG-OG1 3.1Å; S307-T309 VanDerWaalsContact OG-OG1 3.06Å
308	S	63.7	Low	77.4	Confident	82 Å²	82	52.9 Å²	52.9	57%	0.573	28%	0.278	S	S	*	.	S	Bend	trans	-81.2	-6.1	172.8	60.2	0	0	0	0	113.5	Q306	Q306-S308 PolarHBondContact O-N 3.2Å; Q306-S308 VanDerWaalsContact O-N 3.16Å
309	T	75.9	Confident	77.6	Confident	102 Å²	102	55.7 Å²	55.7	63%	0.626	29%	0.289	S	S	*	.	S	Bend	trans	-103	-2.5	-171.3	55.3	0	0	0	0	113.9	I155 S307	I155-T309 WeakPolarHBondContact CD1-O 3.37Å; S307-T309 VanDerWaalsContact C-N 3.27Å; S307-T309 PolarHBondContact OG-N 3.44Å; S307-T309 PolarHBondContact OG-OG1 3.1Å; S307-T309 VanDerWaalsContact OG-OG1 3.06Å
310	E	79.6	Confident	78.1	Confident	73 Å²	73	55.5 Å²	55.5	34%	0.341	29%	0.288	S	S	.	.	S	Bend	trans	-130	156.5	-177.8	-66.6	-170.8	-114.9	0	0	112.6	V315 K318	E310-V315 HydrophobicContact CB-CG2 3.7Å; E310-K318 IonicContact OE1-NZ 3.76Å; E310-K318 IonicContact OE2-NZ 2.65Å; E310-K318 PolarHBondContact OE2-NZ 3.44Å
311	N	85.9	Confident	78.7	Confident	26 Å²	26	57.9 Å²	57.9	14%	0.139	30%	0.3	C	S	.	.			trans	-69.2	135.3	171.3	-178	-65.7	0	0	0	109.7	I155 S157 I313 D314 V315	I155-N311 HydrophobicContact CG2-CB 4.44Å; I155-N311 PolarHBondContact O-ND2 2.86Å; S157-N311 PolarHBondContact N-ND2 3.34Å; N311-I313 PolarHBondContact O-N 2.89Å; N311-I313 WeakPolarHBondContact OD1-CA 3.42Å; N311-I313 WeakPolarHBondContact OD1-CB 3.34Å; N311-I313 WeakPolarHBondContact OD1-CG1 3.29Å; N311-I313 PolarHBondContact OD1-N 3.12Å; N311-D314 HydrophobicContact CB-CB 4.37Å; N311-D314 WeakPolarHBondContact O-CB 3.47Å; N311-D314 PolarHBondContact O-N 3.19Å; N311-V315 PolarHBondContact O-N 3.16Å
312	I	84.5	Confident	79.6	Confident	83 Å²	83	56.6 Å²	56.6	43%	0.426	29%	0.294	S	S	.	.	H	α-helix	trans	-58	-34	-177.5	-161.9	63.5	0	0	0	114.1	N305 V315 N316	N305-I312 HydrophobicContact CB-CD1 3.78Å; N305-I312 WeakPolarHBondContact ND2-CD1 3.5Å; N305-I312 WeakPolarHBondContact OD1-CD1 3.31Å; I312-V315 PolarHBondContact O-N 3.25Å; I312-N316 WeakPolarHBondContact O-CB 3.46Å; I312-N316 PolarHBondContact O-N 3.12Å; I312-N316 PolarHBondContact O-ND2 3.47Å; I312-N316 PolarHBondContact O-OD1 3.39Å
313	I	88.9	Confident	80.7	Confident	15 Å²	15	60.6 Å²	60.6	8%	0.077	32%	0.316	C	S	.	.	H	α-helix	trans	-67.4	-42.8	177.6	-56.2	175.1	0	0	0	109.7	L159 Q164 I167 K168 N311 V315 N316 Y317	L159-I313 HydrophobicContact CD1-CG2 4.14Å; Q164-I313 HydrophobicContact CB-CD1 4.3Å; Q164-I313 HydrophobicContact CB-CG2 4.33Å; Q164-I313 HydrophobicContact CG-CG2 4.27Å; I167-I313 HydrophobicContact CB-CG2 3.79Å; I167-I313 HydrophobicContact CG1-CG2 4.29Å; I167-I313 HydrophobicContact CG2-CG2 3.69Å; K168-I313 HydrophobicContact CD-CD1 4.37Å; K168-I313 HydrophobicContact CG-CD1 4.18Å; N311-I313 PolarHBondContact O-N 2.89Å; N311-I313 WeakPolarHBondContact OD1-CA 3.42Å; N311-I313 WeakPolarHBondContact OD1-CB 3.34Å; N311-I313 WeakPolarHBondContact OD1-CG1 3.29Å; N311-I313 PolarHBondContact OD1-N 3.12Å; I313-V315 VanDerWaalsContact C-N 3.33Å; I313-V315 PolarHBondContact O-N 3.45Å; I313-N316 PolarHBondContact O-N 3.17Å; I313-Y317 VanDerWaalsContact O-CB 3.27Å; I313-Y317 WeakPolarHBondContact O-CB 3.29Å; I313-Y317 PolarHBondContact O-N 3.37Å
314	D	91.1	Very high	82.1	Confident	14 Å²	14	57.4 Å²	57.4	8%	0.075	30%	0.302	C	S	.	.	H	α-helix	trans	-65.5	-39.6	178.6	-60.6	-13.6	0	0	0	110.7	S157 R158 L159 N311 K318	S157-D314 WeakPolarHBondContact CA-OD2 3.33Å; S157-D314 VanDerWaalsContact CB-OD1 3.32Å; S157-D314 WeakPolarHBondContact CB-OD1 3.15Å; S157-D314 PolarHBondContact OG-OD1 3.27Å; R158-D314 PolarHBondContact N-OD1 3.09Å; R158-D314 PolarHBondContact N-OD2 3.03Å; L159-D314 WeakPolarHBondContact CD1-OD1 3.28Å; L159-D314 VanDerWaalsContact CG-OD1 3.31Å; L159-D314 WeakPolarHBondContact CG-OD1 3.48Å; N311-D314 HydrophobicContact CB-CB 4.37Å; N311-D314 WeakPolarHBondContact O-CB 3.47Å; N311-D314 PolarHBondContact O-N 3.19Å; D314-K318 VanDerWaalsContact O-CG 3.31Å; D314-K318 WeakPolarHBondContact O-CG 3.35Å; D314-K318 PolarHBondContact O-N 2.83Å
315	V	88.6	Confident	84	Confident	16 Å²	16	55.3 Å²	55.3	10%	0.097	29%	0.29	C	S	.	.	H	α-helix	trans	-63.4	-49.1	174.8	174.4	0	0	0	0	110.9	E310 N311 I312 I313 Y317 K318 R319	E310-V315 HydrophobicContact CB-CG2 3.7Å; N311-V315 PolarHBondContact O-N 3.16Å; I312-V315 PolarHBondContact O-N 3.25Å; I313-V315 VanDerWaalsContact C-N 3.33Å; I313-V315 PolarHBondContact O-N 3.45Å; V315-Y317 PolarHBondContact O-N 3.01Å; V315-K318 PolarHBondContact O-N 3.33Å; V315-R319 VanDerWaalsContact CG1-CZ 3.5Å; V315-R319 WeakPolarHBondContact O-CG 3.39Å; V315-R319 PolarHBondContact O-N 3.33Å
316	N	89.4	Confident	85.9	Confident	18 Å²	18	54.1 Å²	54.1	10%	0.096	29%	0.286	C	S	.	.	H	α-helix	trans	-62.4	-43	179.1	-67.5	-13.2	0	0	0	111.5	I167 L302 I312 I313 R319 L320	I167-N316 HydrophobicContact CG2-CB 4.09Å; L302-N316 HydrophobicContact CD2-CB 3.86Å; L302-N316 WeakPolarHBondContact CD2-ND2 3.06Å; L302-N316 VanDerWaalsContact CD2-OD1 3.26Å; L302-N316 WeakPolarHBondContact CD2-OD1 3.27Å; I312-N316 WeakPolarHBondContact O-CB 3.46Å; I312-N316 PolarHBondContact O-N 3.12Å; I312-N316 PolarHBondContact O-ND2 3.47Å; I312-N316 PolarHBondContact O-OD1 3.39Å; I313-N316 PolarHBondContact O-N 3.17Å; N316-R319 PolarHBondContact O-N 2.95Å; N316-L320 PolarHBondContact O-N 3.32Å
317	Y	93.2	Very high	88.1	Confident	33 Å²	33	48.6 Å²	48.6	13%	0.129	26%	0.26	C	S	.	.	H	α-helix	trans	-55.8	-50.9	174.8	171.8	-89.1	0	0	0	111.8	L159 V163 I167 I313 V315 R319 L320 D323 I324	L159-Y317 HydrophobicContact CD1-CD1 4.22Å; L159-Y317 HydrophobicContact CD1-CD2 3.94Å; L159-Y317 HydrophobicContact CD1-CG 3.64Å; L159-Y317 HydrophobicContact CD2-CD1 3.83Å; L159-Y317 HydrophobicContact CD2-CD2 4.05Å; L159-Y317 HydrophobicContact CD2-CE1 3.91Å; L159-Y317 HydrophobicContact CD2-CE2 4.09Å; L159-Y317 HydrophobicContact CD2-CG 3.92Å; L159-Y317 HydrophobicContact CG-CG 4.44Å; V163-Y317 HydrophobicContact CG1-CD2 3.72Å; V163-Y317 HydrophobicContact CG1-CE2 3.83Å; I167-Y317 HydrophobicContact CD1-CD2 4.15Å; I167-Y317 HydrophobicContact CG1-CD2 4.37Å; I313-Y317 VanDerWaalsContact O-CB 3.27Å; I313-Y317 WeakPolarHBondContact O-CB 3.29Å; I313-Y317 PolarHBondContact O-N 3.37Å; V315-Y317 PolarHBondContact O-N 3.01Å; Y317-R319 PolarHBondContact O-N 2.83Å; Y317-L320 WeakPolarHBondContact O-CB 3.24Å; Y317-L320 PolarHBondContact O-N 3.14Å; Y317-D323 WeakPolarHBondContact OH-CA 3.45Å; Y317-I324 HydrophobicContact CD2-CD1 4.47Å; Y317-I324 HydrophobicContact CE2-CB 3.96Å; Y317-I324 HydrophobicContact CE2-CD1 4.29Å; Y317-I324 HydrophobicContact CE2-CG1 4.09Å; Y317-I324 PolarHBondContact OH-N 3.33Å; Y317-I324 VanDerWaalsContact OH-N 3.1Å
318	K	92.3	Very high	90	Very high	123 Å²	123	55.4 Å²	55.4	54%	0.535	28%	0.278	S	S	.	.	H	α-helix	trans	-56.6	-36.9	179.4	-75.9	172.2	177.6	-179	0	112.3	E310 D314 V315 L320 N321	E310-K318 IonicContact OE1-NZ 3.76Å; E310-K318 IonicContact OE2-NZ 2.65Å; E310-K318 PolarHBondContact OE2-NZ 3.44Å; D314-K318 VanDerWaalsContact O-CG 3.31Å; D314-K318 WeakPolarHBondContact O-CG 3.35Å; D314-K318 PolarHBondContact O-N 2.83Å; V315-K318 PolarHBondContact O-N 3.33Å; K318-L320 VanDerWaalsContact C-N 3.27Å; K318-L320 PolarHBondContact O-N 3.23Å; K318-N321 PolarHBondContact O-N 3.11Å; K318-N321 VanDerWaalsContact O-N 3.14Å
319	R	89.7	Confident	91.5	Very high	58 Å²	58	55.9 Å²	55.9	22%	0.219	28%	0.281	C	S	.	.	H	α-helix	trans	-71.8	-18.7	-179.8	-65.3	-179.5	-172.5	146.5	9.1	114.1	I301 L302 N304 N305 V315 N316 Y317 N321	I301-R319 HydrophobicContact CG2-CB 3.54Å; I301-R319 HydrophobicContact CG2-CG 4.25Å; I301-R319 WeakPolarHBondContact O-CD 3.42Å; I301-R319 VanDerWaalsContact O-CZ 3.3Å; I301-R319 PolarHBondContact O-NE 2.89Å; I301-R319 PolarHBondContact O-NH1 3.33Å; L302-R319 PolarHBondContact O-NH1 3.43Å; N304-R319 PolarHBondContact O-NH2 3.22Å; N305-R319 VanDerWaalsContact OD1-CZ 3.3Å; N305-R319 PolarHBondContact OD1-NH1 2.81Å; N305-R319 PolarHBondContact OD1-NH2 3.29Å; V315-R319 VanDerWaalsContact CG1-CZ 3.5Å; V315-R319 WeakPolarHBondContact O-CG 3.39Å; V315-R319 PolarHBondContact O-N 3.33Å; N316-R319 PolarHBondContact O-N 2.95Å; Y317-R319 PolarHBondContact O-N 2.83Å; R319-N321 PolarHBondContact O-N 2.94Å
320	L	92.7	Very high	92.4	Very high	3 Å²	3	56.6 Å²	56.6	2%	0.016	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-19.8	171.6	-59.6	178.8	0	0	0	111.4	I167 I170 N316 Y317 K318 C322 I324 K364 V390 L393 G394	I167-L320 HydrophobicContact CD1-CD1 3.48Å; I167-L320 VanDerWaalsContact CD1-CD1 3.48Å; I170-L320 HydrophobicContact CD1-CD1 4.06Å; N316-L320 PolarHBondContact O-N 3.32Å; Y317-L320 WeakPolarHBondContact O-CB 3.24Å; Y317-L320 PolarHBondContact O-N 3.14Å; K318-L320 VanDerWaalsContact C-N 3.27Å; K318-L320 PolarHBondContact O-N 3.23Å; L320-C322 HydrophobicContact CB-CB 4.35Å; L320-C322 PolarHBondContact O-N 2.8Å; L320-C322 VanDerWaalsContact O-N 3.13Å; L320-I324 HydrophobicContact CD1-CD1 4.11Å; L320-K364 PolarHBondContact O-NZ 2.79Å; L320-K364 VanDerWaalsContact O-NZ 3.1Å; L320-V390 HydrophobicContact CD2-CG1 4.01Å; L320-L393 HydrophobicContact CD1-CB 4.31Å; L320-L393 HydrophobicContact CD1-CD1 4.26Å; L320-L393 HydrophobicContact CD2-CB 4.41Å; L320-L393 VanDerWaalsContact O-O 3.05Å; L320-G394 VanDerWaalsContact O-CA 3.29Å; L320-G394 WeakPolarHBondContact O-CA 3.09Å
321	N	93.4	Very high	93.2	Very high	90 Å²	90	56.1 Å²	56.1	48%	0.481	29%	0.286	S	S	.	.			trans	46.5	45.3	-176.3	-168.5	36.7	0	0	0	111.1	K318 R319 K364	K318-N321 PolarHBondContact O-N 3.11Å; K318-N321 VanDerWaalsContact O-N 3.14Å; R319-N321 PolarHBondContact O-N 2.94Å; N321-K364 PolarHBondContact O-NZ 3.04Å
322	C	96.7	Very high	93.7	Very high	4 Å²	4	60 Å²	60	3%	0.027	31%	0.313	C	S	.	.			trans	-146.8	121.1	-177.4	-179.6	0	0	0	0	106.5	L320 R363 L393	L320-C322 HydrophobicContact CB-CB 4.35Å; L320-C322 PolarHBondContact O-N 2.8Å; L320-C322 VanDerWaalsContact O-N 3.13Å; C322-R363 CarbonylContact C-O 3.35Å; C322-R363 WeakPolarHBondContact CA-O 3.44Å; C322-L393 WeakPolarHBondContact CB-O 3Å
323	D	97.6	Very high	94.3	Very high	91 Å²	91	57.2 Å²	57.2	49%	0.487	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	133	172.4	-68.9	-37.1	0	0	0	109.1	Y317 C362 R363	Y317-D323 WeakPolarHBondContact OH-CA 3.45Å; D323-C362 CarbonylContact O-C 3.26Å; D323-C362 VanDerWaalsContact O-CA 3.29Å; D323-C362 WeakPolarHBondContact O-CA 3.41Å; D323-R363 HydrophobicContact CB-CB 4.24Å; D323-R363 PolarHBondContact N-O 2.82Å; D323-R363 PolarHBondContact O-N 2.84Å
324	I	98	Very high	94.7	Very high	4 Å²	4	58.9 Å²	58.9	2%	0.021	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	109.8	-179.9	-49.2	173.4	0	0	0	108.3	V163 L166 I167 Y317 L320 F360 E361 L393	V163-I324 WeakPolarHBondContact CG2-O 3.38Å; L166-I324 HydrophobicContact CD2-CD1 4.06Å; L166-I324 HydrophobicContact CD2-CG2 3.78Å; I167-I324 HydrophobicContact CD1-CD1 4.41Å; Y317-I324 HydrophobicContact CD2-CD1 4.47Å; Y317-I324 HydrophobicContact CE2-CB 3.96Å; Y317-I324 HydrophobicContact CE2-CD1 4.29Å; Y317-I324 HydrophobicContact CE2-CG1 4.09Å; Y317-I324 PolarHBondContact OH-N 3.33Å; Y317-I324 VanDerWaalsContact OH-N 3.1Å; L320-I324 HydrophobicContact CD1-CD1 4.11Å; I324-F360 HydrophobicContact CG2-CB 3.54Å; I324-F360 HydrophobicContact CG2-CD1 3.73Å; I324-F360 HydrophobicContact CG2-CG 3.77Å; I324-E361 WeakPolarHBondContact CA-O 3.36Å; I324-L393 HydrophobicContact CD1-CD1 4.04Å
325	I	97.7	Very high	95	Very high	71 Å²	71	61.4 Å²	61.4	36%	0.364	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	117.5	-171.9	-56.3	169.1	0	0	0	108.4	L327 F360 E361	I325-L327 PolarHBondContact O-N 3.16Å; I325-F360 CarbonylContact O-C 3.5Å; I325-F360 VanDerWaalsContact O-CA 3.3Å; I325-F360 WeakPolarHBondContact O-CA 3.38Å; I325-E361 HydrophobicContact CB-CB 4.48Å; I325-E361 PolarHBondContact N-O 2.71Å; I325-E361 PolarHBondContact O-N 3.46Å
326	P	98.1	Very high	95.4	Very high	40 Å²	40	61.6 Å²	61.6	26%	0.26	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	126.6	175.7	-22	32.8	0	0	0	111.2	P160 A162 V163 F360	P160-P326 HydrophobicContact CB-CG 3.79Å; P160-P326 HydrophobicContact CG-CG 4.18Å; A162-P326 HydrophobicContact CB-CB 4.3Å; A162-P326 HydrophobicContact CB-CG 4.07Å; V163-P326 HydrophobicContact CG2-CG 3.69Å; P326-F360 HydrophobicContact CB-CD1 4.23Å; P326-F360 HydrophobicContact CB-CE1 4.34Å; P326-F360 HydrophobicContact CG-CD1 4.04Å; P326-F360 HydrophobicContact CG-CE1 4.06Å
327	L	97.6	Very high	95.9	Very high	21 Å²	21	60.7 Å²	60.7	11%	0.11	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-80.6	130.9	176.4	-163.9	68.3	0	0	0	109.2	I325 D331 M333 Y334 L337 I359	I325-L327 PolarHBondContact O-N 3.16Å; L327-D331 HydrophobicContact CD1-CB 3.9Å; L327-D331 WeakPolarHBondContact CD1-OD2 3.32Å; L327-D331 HydrophobicContact CG-CB 3.99Å; L327-M333 HydrophobicContact CD2-CB 4.06Å; L327-M333 HydrophobicContact CD2-CG 4.07Å; L327-Y334 HydrophobicContact CB-CD2 4.45Å; L327-Y334 HydrophobicContact CD2-CD2 4.35Å; L327-Y334 HydrophobicContact CG-CD2 4.45Å; L327-L337 HydrophobicContact CD2-CD1 4.27Å; L327-I359 HydrophobicContact CB-CB 4.17Å; L327-I359 HydrophobicContact CB-CG2 4.14Å; L327-I359 WeakPolarHBondContact CB-O 3.41Å; L327-I359 HydrophobicContact CD2-CB 4.43Å; L327-I359 HydrophobicContact CD2-CG2 3.88Å; L327-I359 PolarHBondContact N-O 2.93Å
328	R	96.3	Very high	96.1	Very high	196 Å²	196	60.7 Å²	60.7	74%	0.74	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-77.2	146.7	178.4	-63.3	-179	-177.3	171.1	1.5	109.9	T330 D331 Y334	R328-T330 PolarHBondContact O-N 3.47Å; R328-T330 VanDerWaalsContact O-N 3.13Å; R328-D331 WeakPolarHBondContact O-CB 3.5Å; R328-D331 PolarHBondContact O-N 2.8Å; R328-Y334 WeakPolarHBondContact O-CB 3.2Å
329	S	93.7	Very high	96.3	Very high	92 Å²	92	57.5 Å²	57.5	64%	0.643	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-21.9	176.4	54.7	0	0	0	0	114.1	D331	S329-D331 VanDerWaalsContact C-N 3.29Å
330	T	96.1	Very high	96.7	Very high	117 Å²	117	54.8 Å²	54.8	72%	0.718	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-11	175.3	57.1	0	0	0	0	113.5	R328	R328-T330 PolarHBondContact O-N 3.47Å; R328-T330 VanDerWaalsContact O-N 3.13Å
331	D	96.2	Very high	97	Very high	64 Å²	64	54.6 Å²	54.6	34%	0.342	30%	0.299	S	S	.	.	S	Bend	trans	-72.6	129.1	178	-165.3	-56.9	0	0	0	109.8	L327 R328 S329 M333 Y334	L327-D331 HydrophobicContact CD1-CB 3.9Å; L327-D331 WeakPolarHBondContact CD1-OD2 3.32Å; L327-D331 HydrophobicContact CG-CB 3.99Å; R328-D331 WeakPolarHBondContact O-CB 3.5Å; R328-D331 PolarHBondContact O-N 2.8Å; S329-D331 VanDerWaalsContact C-N 3.29Å; D331-M333 PolarHBondContact O-N 3.15Å; D331-M333 VanDerWaalsContact O-N 3.12Å; D331-M333 WeakPolarHBondContact OD1-CB 3.46Å; D331-M333 PolarHBondContact OD1-N 2.99Å; D331-Y334 WeakPolarHBondContact O-CB 3.37Å; D331-Y334 PolarHBondContact O-N 3.23Å
332	P	95.9	Very high	97.1	Very high	108 Å²	108	55.1 Å²	55.1	70%	0.701	30%	0.298	S	S	*	.	H	α-helix	trans	-54.2	-31.2	176.5	-26.6	35.1	0	0	0	113.7	Y334 S335 L336	P332-Y334 VanDerWaalsContact C-N 3.27Å; P332-Y334 PolarHBondContact O-N 2.69Å; P332-S335 PolarHBondContact O-N 3.44Å; P332-L336 PolarHBondContact O-N 2.94Å
333	M	96.7	Very high	97.1	Very high	23 Å²	23	58.4 Å²	58.4	11%	0.113	31%	0.313	C	S	.	.	H	α-helix	trans	-64.9	-31.5	175.7	-174	56.8	62.5	0	0	112.1	L327 D331 L336 L337 L485 Y526	L327-M333 HydrophobicContact CD2-CB 4.06Å; L327-M333 HydrophobicContact CD2-CG 4.07Å; D331-M333 PolarHBondContact O-N 3.15Å; D331-M333 VanDerWaalsContact O-N 3.12Å; D331-M333 WeakPolarHBondContact OD1-CB 3.46Å; D331-M333 PolarHBondContact OD1-N 2.99Å; M333-L336 HydrophobicContact CE-CD2 4.16Å; M333-L336 PolarHBondContact O-N 3.18Å; M333-L336 HydrophobicContact SD-CB 4.46Å; M333-L336 HydrophobicContact SD-CD2 3.98Å; M333-L336 HydrophobicContact SD-CG 4.47Å; M333-L337 HydrophobicContact CG-CD1 3.8Å; M333-L337 HydrophobicContact CG-CG 4.17Å; M333-L337 WeakPolarHBondContact O-CB 3.12Å; M333-L337 VanDerWaalsContact O-CG 3.26Å; M333-L337 WeakPolarHBondContact O-CG 3.28Å; M333-L337 PolarHBondContact O-N 2.81Å; M333-L337 HydrophobicContact SD-CD1 4.15Å; M333-L337 HydrophobicContact SD-CD2 4.38Å; M333-L337 HydrophobicContact SD-CG 3.94Å; M333-L485 HydrophobicContact CE-CD1 3.89Å; M333-L485 HydrophobicContact CE-CD2 3.76Å; M333-Y526 HydrophobicContact CE-CE2 4.37Å; M333-Y526 HydrophobicContact CG-CD1 4.3Å; M333-Y526 HydrophobicContact CG-CE1 3.71Å; M333-Y526 HydrophobicContact CG-CE2 4.15Å; M333-Y526 HydrophobicContact SD-CE2 3.9Å
334	Y	98	Very high	97.1	Very high	51 Å²	51	54 Å²	54	20%	0.2	29%	0.29	C	S	.	.	H	α-helix	trans	-62.3	-48.4	176.8	-168.5	-75.6	0	0	0	110.7	L327 R328 D331 P332 L337 T338 I359	L327-Y334 HydrophobicContact CB-CD2 4.45Å; L327-Y334 HydrophobicContact CD2-CD2 4.35Å; L327-Y334 HydrophobicContact CG-CD2 4.45Å; R328-Y334 WeakPolarHBondContact O-CB 3.2Å; D331-Y334 WeakPolarHBondContact O-CB 3.37Å; D331-Y334 PolarHBondContact O-N 3.23Å; P332-Y334 VanDerWaalsContact C-N 3.27Å; P332-Y334 PolarHBondContact O-N 2.69Å; Y334-L337 PolarHBondContact O-N 2.97Å; Y334-T338 WeakPolarHBondContact O-CB 3.2Å; Y334-T338 PolarHBondContact O-N 3.47Å; Y334-T338 PolarHBondContact O-OG1 2.81Å; Y334-I359 HydrophobicContact CD1-CD1 4.39Å; Y334-I359 HydrophobicContact CD2-CB 4.23Å; Y334-I359 HydrophobicContact CD2-CD1 3.79Å; Y334-I359 HydrophobicContact CD2-CG1 4.12Å; Y334-I359 HydrophobicContact CE1-CD1 4.4Å; Y334-I359 HydrophobicContact CE2-CB 4.16Å; Y334-I359 HydrophobicContact CE2-CD1 3.83Å; Y334-I359 HydrophobicContact CE2-CG1 3.81Å; Y334-I359 HydrophobicContact CG-CD1 4.07Å
335	S	97.1	Very high	97	Very high	66 Å²	66	56 Å²	56	46%	0.462	30%	0.298	S	S	.	.	H	α-helix	trans	-62.8	-44.6	176.4	-168.1	0	0	0	0	111	P332 L337 T338 D339	P332-S335 PolarHBondContact O-N 3.44Å; S335-L337 PolarHBondContact O-N 2.78Å; S335-T338 WeakPolarHBondContact O-CB 3.29Å; S335-T338 PolarHBondContact O-N 3.1Å; S335-D339 VanDerWaalsContact O-CG 3.28Å; S335-D339 PolarHBondContact O-N 2.86Å
336	L	97.8	Very high	96.9	Very high	20 Å²	20	52.6 Å²	52.6	11%	0.105	28%	0.282	C	S	.	.	H	α-helix	trans	-59.5	-45.5	179.4	176.6	57.5	0	0	0	112.8	P332 M333 T338 D339 Y340 K483 L485 V491	P332-L336 PolarHBondContact O-N 2.94Å; M333-L336 HydrophobicContact CE-CD2 4.16Å; M333-L336 PolarHBondContact O-N 3.18Å; M333-L336 HydrophobicContact SD-CB 4.46Å; M333-L336 HydrophobicContact SD-CD2 3.98Å; M333-L336 HydrophobicContact SD-CG 4.47Å; L336-T338 VanDerWaalsContact C-N 3.32Å; L336-D339 PolarHBondContact O-N 3.03Å; L336-Y340 VanDerWaalsContact O-CB 3.25Å; L336-Y340 WeakPolarHBondContact O-CB 3.49Å; L336-Y340 PolarHBondContact O-N 3.44Å; L336-K483 HydrophobicContact CD1-CD 3.33Å; L336-L485 HydrophobicContact CD2-CD2 3.71Å; L336-V491 HydrophobicContact CD1-CG1 4.42Å; L336-V491 HydrophobicContact CD2-CG2 4.15Å
337	L	98.2	Very high	96.5	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-68.9	-33.5	178.6	-69.3	168.7	0	0	0	112	L327 M333 Y334 S335 M341 I359 V441 Y526	L327-L337 HydrophobicContact CD2-CD1 4.27Å; M333-L337 HydrophobicContact CG-CD1 3.8Å; M333-L337 HydrophobicContact CG-CG 4.17Å; M333-L337 WeakPolarHBondContact O-CB 3.12Å; M333-L337 VanDerWaalsContact O-CG 3.26Å; M333-L337 WeakPolarHBondContact O-CG 3.28Å; M333-L337 PolarHBondContact O-N 2.81Å; M333-L337 HydrophobicContact SD-CD1 4.15Å; M333-L337 HydrophobicContact SD-CD2 4.38Å; M333-L337 HydrophobicContact SD-CG 3.94Å; Y334-L337 PolarHBondContact O-N 2.97Å; S335-L337 PolarHBondContact O-N 2.78Å; L337-M341 WeakPolarHBondContact O-CB 3.43Å; L337-M341 PolarHBondContact O-N 2.66Å; L337-I359 HydrophobicContact CB-CD1 4.05Å; L337-I359 HydrophobicContact CD1-CD1 4.35Å; L337-I359 HydrophobicContact CD1-CG2 3.76Å; L337-V441 HydrophobicContact CD2-CB 4.43Å; L337-V441 HydrophobicContact CD2-CG2 4Å; L337-Y526 HydrophobicContact CD1-CD1 3.86Å; L337-Y526 HydrophobicContact CD1-CD2 4.02Å; L337-Y526 HydrophobicContact CD1-CG 3.57Å; L337-Y526 HydrophobicContact CD2-CD2 4.1Å; L337-Y526 HydrophobicContact CD2-CG 4.35Å
338	T	97.7	Very high	96.1	Very high	32 Å²	32	56.5 Å²	56.5	20%	0.196	31%	0.305	C	S	.	.	H	α-helix	trans	-63.7	-51.9	174.1	-58.2	0	0	0	0	110.6	Y334 S335 L336 Y340 M341 H342 I356	Y334-T338 WeakPolarHBondContact O-CB 3.2Å; Y334-T338 PolarHBondContact O-N 3.47Å; Y334-T338 PolarHBondContact O-OG1 2.81Å; S335-T338 WeakPolarHBondContact O-CB 3.29Å; S335-T338 PolarHBondContact O-N 3.1Å; L336-T338 VanDerWaalsContact C-N 3.32Å; T338-Y340 VanDerWaalsContact C-N 3.34Å; T338-Y340 PolarHBondContact O-N 3.41Å; T338-M341 PolarHBondContact O-N 3.25Å; T338-H342 PolarHBondContact O-CD2 3.24Å; T338-H342 PolarHBondContact O-N 2.91Å; T338-H342 VanDerWaalsContact O-N 3.07Å; T338-I356 HydrophobicContact CG2-CD1 4.21Å
339	D	97.2	Very high	95.9	Very high	57 Å²	57	48.2 Å²	48.2	31%	0.305	28%	0.275	S	S	.	.	H	α-helix	trans	-58.1	-47.5	175.4	-64.1	-20	0	0	0	110.5	S335 L336 M341 H342 E343 K483	S335-D339 VanDerWaalsContact O-CG 3.28Å; S335-D339 PolarHBondContact O-N 2.86Å; L336-D339 PolarHBondContact O-N 3.03Å; D339-M341 VanDerWaalsContact C-N 3.31Å; D339-M341 PolarHBondContact O-N 3.21Å; D339-H342 PolarHBondContact O-N 2.88Å; D339-E343 VanDerWaalsContact O-CB 3.28Å; D339-E343 WeakPolarHBondContact O-CB 3.08Å; D339-E343 VanDerWaalsContact O-CG 3.29Å; D339-E343 WeakPolarHBondContact O-CG 3.34Å; D339-E343 PolarHBondContact O-N 2.85Å; D339-K483 IonicContact OD2-NZ 3.53Å
340	Y	98.2	Very high	95.8	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-59	-42	-179.8	-177.1	-152.9	0	0	0	111.9	L336 T338 T344 L379 W381 V441 V491 P492 C493	L336-Y340 VanDerWaalsContact O-CB 3.25Å; L336-Y340 WeakPolarHBondContact O-CB 3.49Å; L336-Y340 PolarHBondContact O-N 3.44Å; T338-Y340 VanDerWaalsContact C-N 3.34Å; T338-Y340 PolarHBondContact O-N 3.41Å; Y340-T344 HydrophobicContact CD2-CG2 3.63Å; Y340-T344 HydrophobicContact CE2-CG2 3.73Å; Y340-T344 WeakPolarHBondContact O-CB 3.27Å; Y340-T344 WeakPolarHBondContact O-CG2 3.41Å; Y340-T344 PolarHBondContact O-N 3.28Å; Y340-T344 PolarHBondContact O-OG1 2.66Å; Y340-L379 WeakPolarHBondContact CE1-O 3.36Å; Y340-L379 PolarHBondContact OH-O 3.34Å; Y340-W381 AromaticContact CD1-CE2 3.68Å; Y340-W381 HydrophobicContact CD1-CH2 4.35Å; Y340-W381 AromaticContact CD1-CZ2 3.39Å; Y340-W381 HydrophobicContact CD1-CZ2 3.39Å; Y340-W381 AromaticContact CD1-NE1 3.71Å; Y340-W381 HydrophobicContact CD2-CZ2 4.38Å; Y340-W381 AromaticContact CD2-NE1 3.75Å; Y340-W381 HydrophobicContact CE1-CD2 4.43Å; Y340-W381 AromaticContact CE1-CE2 3.57Å; Y340-W381 AromaticContact CE1-CZ2 3.8Å; Y340-W381 HydrophobicContact CE1-CZ2 3.8Å; Y340-W381 AromaticContact CE1-NE1 3.32Å; Y340-W381 VanDerWaalsContact CE1-NE1 3.32Å; Y340-W381 AromaticContact CE2-NE1 3.34Å; Y340-W381 VanDerWaalsContact CE2-NE1 3.34Å; Y340-W381 AromaticContact CG-CZ2 3.73Å; Y340-W381 HydrophobicContact CG-CZ2 3.73Å; Y340-W381 AromaticContact CG-NE1 3.92Å; Y340-W381 AromaticContact CZ-CD1 3.61Å; Y340-W381 AromaticContact CZ-CE2 3.88Å; Y340-W381 AromaticContact CZ-NE1 3.11Å; Y340-V441 HydrophobicContact CE1-CG1 4.29Å; Y340-V491 HydrophobicContact CD1-CG1 3.68Å; Y340-V491 HydrophobicContact CD2-CG1 4.4Å; Y340-V491 HydrophobicContact CE1-CG1 3.97Å; Y340-V491 HydrophobicContact CG-CG1 3.92Å; Y340-P492 HydrophobicContact CE2-CG 3.94Å; Y340-P492 VanDerWaalsContact CE2-O 3.31Å; Y340-P492 WeakPolarHBondContact CE2-O 3.28Å; Y340-P492 WeakPolarHBondContact OH-CD 3.25Å; Y340-P492 WeakPolarHBondContact OH-CG 3.28Å; Y340-C493 WeakPolarHBondContact CA-SG 3.45Å; Y340-C493 HydrophobicContact CD2-CB 4.23Å; Y340-C493 PolarHBondContact N-SG 2.9Å
341	M	97.8	Very high	95.6	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-65.8	-45.8	177.9	-169.7	-167.1	70.4	0	0	111.7	L337 T338 D339 L354 I356 W381 S421 L528 V530	L337-M341 WeakPolarHBondContact O-CB 3.43Å; L337-M341 PolarHBondContact O-N 2.66Å; T338-M341 PolarHBondContact O-N 3.25Å; D339-M341 VanDerWaalsContact C-N 3.31Å; D339-M341 PolarHBondContact O-N 3.21Å; M341-L354 HydrophobicContact CE-CB 3.73Å; M341-L354 HydrophobicContact CG-CD1 4.25Å; M341-L354 HydrophobicContact SD-CB 3.92Å; M341-L354 HydrophobicContact SD-CD1 4.26Å; M341-I356 HydrophobicContact CB-CD1 4.41Å; M341-I356 HydrophobicContact CE-CD1 3.82Å; M341-I356 HydrophobicContact CE-CG1 3.4Å; M341-I356 VanDerWaalsContact CE-CG1 3.4Å; M341-I356 HydrophobicContact SD-CD1 3.93Å; M341-I356 HydrophobicContact SD-CG1 3.53Å; M341-I356 VanDerWaalsContact SD-CG1 3.53Å; M341-W381 HydrophobicContact CB-CH2 3.9Å; M341-W381 HydrophobicContact CB-CZ2 3.95Å; M341-W381 HydrophobicContact CG-CH2 4.29Å; M341-S421 WeakPolarHBondContact O-CB 3.38Å; M341-S421 PolarHBondContact O-OG 3.48Å; M341-L528 HydrophobicContact SD-CD2 4.43Å; M341-V530 HydrophobicContact SD-CG1 3.89Å
342	H	96.7	Very high	95.6	Very high	101 Å²	101	46.5 Å²	46.5	47%	0.468	25%	0.245	S	C	.	.	H	α-helix	trans	-75.5	-42.6	-175	-72.3	-62.4	0	0	0	113.2	T338 D339 T344 H345 L354	T338-H342 PolarHBondContact O-CD2 3.24Å; T338-H342 PolarHBondContact O-N 2.91Å; T338-H342 VanDerWaalsContact O-N 3.07Å; D339-H342 PolarHBondContact O-N 2.88Å; H342-T344 VanDerWaalsContact C-N 3.3Å; H342-T344 PolarHBondContact O-N 3.35Å; H342-H345 WeakPolarHBondContact O-CB 3.46Å; H342-H345 PolarHBondContact O-N 2.78Å; H342-L354 PolarHBondContact CE1-O 3.37Å
343	E	96.5	Very high	95.6	Very high	72 Å²	72	45 Å²	45	34%	0.336	23%	0.234	S	C	.	.	H	α-helix	trans	-70.8	-28.2	-177.6	-67.4	-174.8	153.3	0	0	112.8	D339 C493 G494	D339-E343 VanDerWaalsContact O-CB 3.28Å; D339-E343 WeakPolarHBondContact O-CB 3.08Å; D339-E343 VanDerWaalsContact O-CG 3.29Å; D339-E343 WeakPolarHBondContact O-CG 3.34Å; D339-E343 PolarHBondContact O-N 2.85Å; E343-C493 PolarHBondContact OE2-SG 2.78Å; E343-G494 VanDerWaalsContact OE2-CA 3.23Å; E343-G494 WeakPolarHBondContact OE2-CA 3.23Å; E343-G494 PolarHBondContact OE2-N 3Å
344	T	97.4	Very high	95.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	15.8	179.3	71.3	0	0	0	0	113.4	Y340 H342 G346 D419 C420 S421 P477	Y340-T344 HydrophobicContact CD2-CG2 3.63Å; Y340-T344 HydrophobicContact CE2-CG2 3.73Å; Y340-T344 WeakPolarHBondContact O-CB 3.27Å; Y340-T344 WeakPolarHBondContact O-CG2 3.41Å; Y340-T344 PolarHBondContact O-N 3.28Å; Y340-T344 PolarHBondContact O-OG1 2.66Å; H342-T344 VanDerWaalsContact C-N 3.3Å; H342-T344 PolarHBondContact O-N 3.35Å; T344-G346 PolarHBondContact O-N 2.84Å; T344-D419 VanDerWaalsContact CB-O 3.28Å; T344-D419 WeakPolarHBondContact CB-O 3.46Å; T344-D419 WeakPolarHBondContact CG2-O 3.48Å; T344-D419 PolarHBondContact OG1-O 2.81Å; T344-C420 WeakPolarHBondContact O-CA 3.4Å; T344-C420 PolarHBondContact O-SG 2.97Å; T344-S421 PolarHBondContact O-N 2.95Å; T344-S421 VanDerWaalsContact O-N 3.14Å; T344-S421 PolarHBondContact O-OG 3.42Å; T344-S421 PolarHBondContact OG1-N 2.84Å; T344-S421 VanDerWaalsContact OG1-N 3.16Å; T344-P477 HydrophobicContact CG2-CB 4.23Å; T344-P477 HydrophobicContact CG2-CG 3.86Å
345	H	97	Very high	95.6	Very high	44 Å²	44	45.5 Å²	45.5	20%	0.204	24%	0.238	C	C	.	.			trans	-70.7	113.9	170.8	-167.5	100.9	0	0	0	110	H342 V347 H349 Y352 S421	H342-H345 WeakPolarHBondContact O-CB 3.46Å; H342-H345 PolarHBondContact O-N 2.78Å; H345-V347 PolarHBondContact O-N 2.89Å; H345-H349 PolarHBondContact NE2-O 2.9Å; H345-Y352 AromaticContact CE1-CD2 3.95Å; H345-Y352 AromaticContact CE1-CE2 3.6Å; H345-Y352 PolarHBondContact CE1-O 3.18Å; H345-Y352 PolarHBondContact NE2-O 2.79Å; H345-S421 PolarHBondContact N-OG 2.75Å
346	G	94.2	Very high	95.6	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.01	22%	0.222	C	C	.	.			trans	-50.7	129.7	179.8	0	0	0	0	0	114.5	T344 T348 H349 S422 F511	T344-G346 PolarHBondContact O-N 2.84Å; G346-T348 PolarHBondContact O-N 3.2Å; G346-T348 VanDerWaalsContact O-N 3.16Å; G346-H349 PolarHBondContact O-N 3.42Å; G346-S422 WeakPolarHBondContact CA-OG 3.45Å; G346-S422 PolarHBondContact N-OG 3.46Å; G346-F511 VanDerWaalsContact CA-CZ 3.41Å
347	V	89.2	Confident	95.6	Very high	76 Å²	76	45 Å²	45	46%	0.461	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-27.8	-179.4	-62.2	0	0	0	0	113.7	H345 W475	H345-V347 PolarHBondContact O-N 2.89Å; V347-W475 HydrophobicContact CG1-CZ3 4.38Å; V347-W475 HydrophobicContact CG2-CD2 4Å; V347-W475 HydrophobicContact CG2-CE3 4.31Å; V347-W475 HydrophobicContact CG2-CH2 4.15Å; V347-W475 HydrophobicContact CG2-CZ2 3.82Å; V347-W475 HydrophobicContact CG2-CZ3 4.37Å
348	T	89.6	Confident	95.6	Very high	66 Å²	66	47.1 Å²	47.1	41%	0.405	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-9	177.6	57.3	0	0	0	0	113.5	G346 N350 F511	G346-T348 PolarHBondContact O-N 3.2Å; G346-T348 VanDerWaalsContact O-N 3.16Å; T348-N350 PolarHBondContact O-N 2.94Å; T348-F511 WeakPolarHBondContact OG1-CZ 3.18Å
349	H	92.4	Very high	95.7	Very high	23 Å²	23	45.8 Å²	45.8	11%	0.106	23%	0.233	C	C	.	.			trans	-100.8	48.3	-178.2	-56.5	152.8	0	0	0	111	H345 G346 W351 Y352 S422 N426 F511	H345-H349 PolarHBondContact NE2-O 2.9Å; G346-H349 PolarHBondContact O-N 3.42Å; H349-W351 VanDerWaalsContact C-N 3.32Å; H349-W351 PolarHBondContact O-N 3.38Å; H349-Y352 HydrophobicContact CB-CE1 4.4Å; H349-S422 WeakPolarHBondContact ND1-CB 3.41Å; H349-S422 PolarHBondContact ND1-OG 3.06Å; H349-N426 PolarHBondContact CE1-ND2 3.47Å; H349-N426 VanDerWaalsContact CE1-ND2 3.32Å; H349-N426 PolarHBondContact NE2-ND2 3.37Å; H349-F511 AromaticContact CE1-CD2 3.96Å; H349-F511 AromaticContact CE1-CE2 3.38Å; H349-F511 WeakPolarHBondContact CE1-CE2 3.36Å; H349-F511 AromaticContact NE2-CE2 3.72Å
350	N	91	Very high	95.7	Very high	117 Å²	117	43 Å²	43	63%	0.626	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.6	1.6	-172.8	63.8	-0.9	0	0	0	114.6	T348 Y352 N535	T348-N350 PolarHBondContact O-N 2.94Å; N350-Y352 VanDerWaalsContact C-N 3.33Å; N350-N535 PolarHBondContact O-ND2 2.83Å
351	W	93.6	Very high	95.7	Very high	119 Å²	119	44.7 Å²	44.7	45%	0.451	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-4.6	-178.2	56.1	-81.8	0	0	0	113.8	H349 N426 F534 N535	H349-W351 VanDerWaalsContact C-N 3.32Å; H349-W351 PolarHBondContact O-N 3.38Å; W351-N426 WeakPolarHBondContact CZ2-OD1 3.49Å; W351-F534 AromaticContact CE3-CD1 3.79Å; W351-F534 HydrophobicContact CE3-CD1 3.79Å; W351-F534 AromaticContact CE3-CE1 3.93Å; W351-F534 HydrophobicContact CE3-CE1 3.93Å; W351-F534 HydrophobicContact CH2-CE1 4.16Å; W351-F534 AromaticContact CZ3-CD1 3.69Å; W351-F534 HydrophobicContact CZ3-CD1 3.69Å; W351-F534 AromaticContact CZ3-CE1 3.33Å; W351-F534 HydrophobicContact CZ3-CE1 3.33Å; W351-N535 PolarHBondContact O-N 3.13Å
352	Y	95.8	Very high	95.7	Very high	1 Å²	1	44.8 Å²	44.8	0%	0.004	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	160.5	168.5	66	-90.2	0	0	0	111.1	H345 H349 N350 L354 S422 N426 F532 N533	H345-Y352 AromaticContact CE1-CD2 3.95Å; H345-Y352 AromaticContact CE1-CE2 3.6Å; H345-Y352 PolarHBondContact CE1-O 3.18Å; H345-Y352 PolarHBondContact NE2-O 2.79Å; H349-Y352 HydrophobicContact CB-CE1 4.4Å; N350-Y352 VanDerWaalsContact C-N 3.33Å; Y352-L354 HydrophobicContact CD2-CD2 4.01Å; Y352-L354 HydrophobicContact CD2-CG 4.16Å; Y352-L354 HydrophobicContact CE2-CD1 4.33Å; Y352-L354 HydrophobicContact CE2-CD2 3.72Å; Y352-L354 HydrophobicContact CE2-CG 3.81Å; Y352-S422 WeakPolarHBondContact OH-CB 3.47Å; Y352-S422 PolarHBondContact OH-O 3.38Å; Y352-N426 PolarHBondContact OH-OD1 3.38Å; Y352-N426 VanDerWaalsContact OH-OD1 3.11Å; Y352-F532 HydrophobicContact CD1-CD1 4.47Å; Y352-F532 AromaticContact CD2-CD1 3.43Å; Y352-F532 HydrophobicContact CD2-CD1 3.43Å; Y352-F532 VanDerWaalsContact CD2-CD1 3.43Å; Y352-F532 AromaticContact CD2-CE1 3.9Å; Y352-F532 HydrophobicContact CD2-CE1 3.9Å; Y352-F532 AromaticContact CE2-CD1 3.58Å; Y352-F532 HydrophobicContact CE2-CD1 3.58Å; Y352-F532 AromaticContact CE2-CE1 3.51Å; Y352-F532 HydrophobicContact CE2-CE1 3.51Å; Y352-F532 AromaticContact CG-CD1 3.92Å; Y352-F532 HydrophobicContact CG-CD1 3.92Å; Y352-F532 AromaticContact CZ-CE1 3.91Å; Y352-N533 CarbonylContact C-O 3.56Å; Y352-N533 VanDerWaalsContact CA-O 3.25Å; Y352-N533 WeakPolarHBondContact CA-O 3.19Å
353	T	96.3	Very high	95.8	Very high	77 Å²	77	46.1 Å²	46.1	47%	0.472	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	157.1	163.7	60.1	0	0	0	0	110.6	N533	T353-N533 PolarHBondContact N-O 3.38Å; T353-N533 PolarHBondContact O-N 2.77Å; T353-N533 WeakPolarHBondContact OG1-CB 3.43Å
354	L	97.1	Very high	95.7	Very high	8 Å²	8	43.3 Å²	43.3	4%	0.042	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	132.4	177.4	-66.4	173.9	0	0	0	110.2	M341 H342 Y352 A425 M439 V530 F532	M341-L354 HydrophobicContact CE-CB 3.73Å; M341-L354 HydrophobicContact CG-CD1 4.25Å; M341-L354 HydrophobicContact SD-CB 3.92Å; M341-L354 HydrophobicContact SD-CD1 4.26Å; H342-L354 PolarHBondContact CE1-O 3.37Å; Y352-L354 HydrophobicContact CD2-CD2 4.01Å; Y352-L354 HydrophobicContact CD2-CG 4.16Å; Y352-L354 HydrophobicContact CE2-CD1 4.33Å; Y352-L354 HydrophobicContact CE2-CD2 3.72Å; Y352-L354 HydrophobicContact CE2-CG 3.81Å; L354-A425 HydrophobicContact CD1-CB 3.95Å; L354-A425 HydrophobicContact CD2-CB 4.31Å; L354-M439 HydrophobicContact CD1-SD 4.48Å; L354-V530 HydrophobicContact CD2-CG2 4.43Å; L354-F532 HydrophobicContact CD2-CD1 3.62Å; L354-F532 HydrophobicContact CD2-CD2 4.29Å; L354-F532 HydrophobicContact CD2-CE1 3.41Å; L354-F532 VanDerWaalsContact CD2-CE1 3.41Å; L354-F532 HydrophobicContact CD2-CE2 4.11Å; L354-F532 HydrophobicContact CD2-CG 4.06Å; L354-F532 HydrophobicContact CD2-CZ 3.68Å
355	E	97	Very high	95.6	Very high	75 Å²	75	46.1 Å²	46.1	35%	0.35	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	127.1	174	173.9	-170.2	166.9	0	0	108.8	L357 V530 K531 N533	E355-L357 HydrophobicContact CG-CD2 4.35Å; E355-V530 CarbonylContact O-C 3.44Å; E355-V530 VanDerWaalsContact O-CA 3.23Å; E355-V530 WeakPolarHBondContact O-CA 3.4Å; E355-K531 HydrophobicContact CB-CB 4.28Å; E355-K531 PolarHBondContact N-O 3.13Å; E355-K531 PolarHBondContact O-N 2.9Å; E355-K531 IonicContact OE2-NZ 3.43Å; E355-K531 PolarHBondContact OE2-NZ 3.16Å; E355-N533 WeakPolarHBondContact CB-ND2 3.47Å; E355-N533 PolarHBondContact OE2-ND2 2.84Å; E355-N533 VanDerWaalsContact OE2-ND2 3.1Å
356	I	97.7	Very high	95.4	Very high	23 Å²	23	46.5 Å²	46.5	12%	0.118	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	123.4	174.6	-62.9	176.8	0	0	0	108.7	T338 M341 I359 L528	T338-I356 HydrophobicContact CG2-CD1 4.21Å; M341-I356 HydrophobicContact CB-CD1 4.41Å; M341-I356 HydrophobicContact CE-CD1 3.82Å; M341-I356 HydrophobicContact CE-CG1 3.4Å; M341-I356 VanDerWaalsContact CE-CG1 3.4Å; M341-I356 HydrophobicContact SD-CD1 3.93Å; M341-I356 HydrophobicContact SD-CG1 3.53Å; M341-I356 VanDerWaalsContact SD-CG1 3.53Å; I356-I359 HydrophobicContact CD1-CD1 4.23Å; I356-I359 HydrophobicContact CG2-CD1 4.02Å; I356-I359 HydrophobicContact CG2-CG1 3.57Å; I356-L528 HydrophobicContact CD1-CD2 3.91Å; I356-L528 HydrophobicContact CG1-CD2 4.26Å
357	L	97.7	Very high	95.5	Very high	54 Å²	54	47.7 Å²	47.7	28%	0.283	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	-46.2	173.9	-60.6	-177.6	0	0	0	111.7	E355 V436 K529 K531	E355-L357 HydrophobicContact CG-CD2 4.35Å; L357-V436 HydrophobicContact CD1-CG1 4.01Å; L357-V436 HydrophobicContact CD1-CG2 4.05Å; L357-K529 HydrophobicContact CB-CD 4.4Å; L357-K529 HydrophobicContact CB-CG 4.2Å; L357-K529 WeakPolarHBondContact CB-O 3.49Å; L357-K529 HydrophobicContact CD1-CG 4.27Å; L357-K529 PolarHBondContact N-O 3.25Å; L357-K531 HydrophobicContact CD1-CB 4.03Å; L357-K531 HydrophobicContact CD2-CB 4.17Å; L357-K531 HydrophobicContact CG-CB 4.07Å
358	D	98	Very high	95.8	Very high	44 Å²	44	49.6 Å²	49.6	24%	0.235	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	145.3	-178.9	-61.8	-81.5	0	0	0	109.4	F360 K529	D358-F360 HydrophobicContact CB-CD2 4.48Å; D358-F360 HydrophobicContact CB-CE2 3.58Å; D358-F360 HydrophobicContact CB-CZ 3.66Å; D358-K529 HydrophobicContact CB-CB 4.14Å; D358-K529 HydrophobicContact CB-CD 4.47Å; D358-K529 PolarHBondContact N-O 2.79Å; D358-K529 PolarHBondContact O-N 2.84Å; D358-K529 WeakPolarHBondContact OD2-CD 3.45Å; D358-K529 IonicContact OD2-NZ 3.85Å; D358-K529 PolarHBondContact OD2-NZ 2.7Å
359	I	98.5	Very high	96.1	Very high	3 Å²	3	53.8 Å²	53.8	2%	0.015	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	135.9	170.1	-52.3	-174.6	0	0	0	108.3	L327 Y334 L337 I356 L527 L528	L327-I359 HydrophobicContact CB-CB 4.17Å; L327-I359 HydrophobicContact CB-CG2 4.14Å; L327-I359 WeakPolarHBondContact CB-O 3.41Å; L327-I359 HydrophobicContact CD2-CB 4.43Å; L327-I359 HydrophobicContact CD2-CG2 3.88Å; L327-I359 PolarHBondContact N-O 2.93Å; Y334-I359 HydrophobicContact CD1-CD1 4.39Å; Y334-I359 HydrophobicContact CD2-CB 4.23Å; Y334-I359 HydrophobicContact CD2-CD1 3.79Å; Y334-I359 HydrophobicContact CD2-CG1 4.12Å; Y334-I359 HydrophobicContact CE1-CD1 4.4Å; Y334-I359 HydrophobicContact CE2-CB 4.16Å; Y334-I359 HydrophobicContact CE2-CD1 3.83Å; Y334-I359 HydrophobicContact CE2-CG1 3.81Å; Y334-I359 HydrophobicContact CG-CD1 4.07Å; L337-I359 HydrophobicContact CB-CD1 4.05Å; L337-I359 HydrophobicContact CD1-CD1 4.35Å; L337-I359 HydrophobicContact CD1-CG2 3.76Å; I356-I359 HydrophobicContact CD1-CD1 4.23Å; I356-I359 HydrophobicContact CG2-CD1 4.02Å; I356-I359 HydrophobicContact CG2-CG1 3.57Å; I359-L527 CarbonylContact C-O 3.58Å; I359-L528 HydrophobicContact CD1-CD2 4.49Å; I359-L528 HydrophobicContact CG1-CG 4.17Å; I359-L528 HydrophobicContact CG2-CG 4.38Å
360	F	98.6	Very high	96.3	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	135.6	177	-51.7	-91.4	0	0	0	110.1	A162 V163 L166 I324 I325 P326 D358 Y526 L527 K529	A162-F360 HydrophobicContact CB-CE1 3.73Å; A162-F360 HydrophobicContact CB-CZ 4.02Å; V163-F360 HydrophobicContact CG2-CD1 4.3Å; V163-F360 HydrophobicContact CG2-CE1 4.18Å; L166-F360 HydrophobicContact CB-CE2 4.37Å; L166-F360 HydrophobicContact CB-CZ 4.03Å; L166-F360 HydrophobicContact CD1-CE2 4.45Å; L166-F360 HydrophobicContact CD2-CD1 4.45Å; L166-F360 HydrophobicContact CD2-CD2 4.12Å; L166-F360 HydrophobicContact CD2-CE1 4.4Å; L166-F360 HydrophobicContact CD2-CE2 4.08Å; L166-F360 HydrophobicContact CD2-CG 4.31Å; L166-F360 HydrophobicContact CD2-CZ 4.23Å; I324-F360 HydrophobicContact CG2-CB 3.54Å; I324-F360 HydrophobicContact CG2-CD1 3.73Å; I324-F360 HydrophobicContact CG2-CG 3.77Å; I325-F360 CarbonylContact O-C 3.5Å; I325-F360 VanDerWaalsContact O-CA 3.3Å; I325-F360 WeakPolarHBondContact O-CA 3.38Å; P326-F360 HydrophobicContact CB-CD1 4.23Å; P326-F360 HydrophobicContact CB-CE1 4.34Å; P326-F360 HydrophobicContact CG-CD1 4.04Å; P326-F360 HydrophobicContact CG-CE1 4.06Å; D358-F360 HydrophobicContact CB-CD2 4.48Å; D358-F360 HydrophobicContact CB-CE2 3.58Å; D358-F360 HydrophobicContact CB-CZ 3.66Å; F360-Y526 CarbonylContact O-C 3.59Å; F360-Y526 VanDerWaalsContact O-CA 3.22Å; F360-Y526 WeakPolarHBondContact O-CA 3.47Å; F360-L527 HydrophobicContact CB-CB 4.34Å; F360-L527 HydrophobicContact CD2-CD2 4.41Å; F360-L527 PolarHBondContact N-O 2.88Å; F360-L527 PolarHBondContact O-N 3.5Å; F360-K529 HydrophobicContact CE2-CB 4.41Å
361	E	98.2	Very high	96.6	Very high	35 Å²	35	54.3 Å²	54.3	16%	0.164	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	126.9	162.5	-171	-176.9	175.9	0	0	108.9	I324 I325 R363 R525 Y526	I324-E361 WeakPolarHBondContact CA-O 3.36Å; I325-E361 HydrophobicContact CB-CB 4.48Å; I325-E361 PolarHBondContact N-O 2.71Å; I325-E361 PolarHBondContact O-N 3.46Å; E361-R363 VanDerWaalsContact CD-NH2 3.26Å; E361-R363 HydrophobicContact CG-CG 4.47Å; E361-R363 IonicContact OE1-CZ 3.83Å; E361-R363 IonicContact OE1-NE 2.72Å; E361-R363 PolarHBondContact OE1-NE 2.8Å; E361-R363 IonicContact OE1-NH2 3.08Å; E361-R363 PolarHBondContact OE1-NH2 2.87Å; E361-R363 IonicContact OE2-CZ 2.65Å; E361-R363 IonicContact OE2-NE 3.16Å; E361-R363 IonicContact OE2-NH2 3.72Å; E361-R363 PolarHBondContact OE2-NH2 2.95Å; E361-R363 VanDerWaalsContact OE2-NH2 3.08Å; E361-R525 CarbonylContact C-O 3.18Å; E361-R525 WeakPolarHBondContact CA-O 3.32Å; E361-Y526 HydrophobicContact CB-CD1 4.24Å; E361-Y526 HydrophobicContact CB-CE1 4.19Å; E361-Y526 HydrophobicContact CG-CD1 4.31Å; E361-Y526 HydrophobicContact CG-CE1 3.93Å
362	C	98.2	Very high	96.8	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.014	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	134.9	176.2	-67.2	0	0	0	0	109.7	D323 L524 R525	D323-C362 CarbonylContact O-C 3.26Å; D323-C362 VanDerWaalsContact O-CA 3.29Å; D323-C362 WeakPolarHBondContact O-CA 3.41Å; C362-L524 HydrophobicContact CB-CB 4.13Å; C362-L524 VanDerWaalsContact O-O 3.11Å; C362-R525 PolarHBondContact N-O 2.88Å
363	R	96.9	Very high	96.9	Very high	129 Å²	129	56.7 Å²	56.7	49%	0.487	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	126	173.5	-56.7	179.9	-179.8	172.5	3	110.2	C322 D323 E361	C322-R363 CarbonylContact C-O 3.35Å; C322-R363 WeakPolarHBondContact CA-O 3.44Å; D323-R363 HydrophobicContact CB-CB 4.24Å; D323-R363 PolarHBondContact N-O 2.82Å; D323-R363 PolarHBondContact O-N 2.84Å; E361-R363 VanDerWaalsContact CD-NH2 3.26Å; E361-R363 HydrophobicContact CG-CG 4.47Å; E361-R363 IonicContact OE1-CZ 3.83Å; E361-R363 IonicContact OE1-NE 2.72Å; E361-R363 PolarHBondContact OE1-NE 2.8Å; E361-R363 IonicContact OE1-NH2 3.08Å; E361-R363 PolarHBondContact OE1-NH2 2.87Å; E361-R363 IonicContact OE2-CZ 2.65Å; E361-R363 IonicContact OE2-NE 3.16Å; E361-R363 IonicContact OE2-NH2 3.72Å; E361-R363 PolarHBondContact OE2-NH2 2.95Å; E361-R363 VanDerWaalsContact OE2-NH2 3.08Å
364	K	95.8	Very high	96.9	Very high	12 Å²	12	57.8 Å²	57.8	5%	0.052	28%	0.275	C	S	.	.			trans	-122.7	113.1	178.6	-165.3	173.3	-170	68.3	0	109.6	L320 N321 T366 E367 Q368 L393 G394	L320-K364 PolarHBondContact O-NZ 2.79Å; L320-K364 VanDerWaalsContact O-NZ 3.1Å; N321-K364 PolarHBondContact O-NZ 3.04Å; K364-T366 VanDerWaalsContact C-N 3.33Å; K364-T366 WeakPolarHBondContact CG-OG1 3.45Å; K364-T366 PolarHBondContact O-N 2.82Å; K364-E367 HydrophobicContact CB-CB 4.17Å; K364-E367 HydrophobicContact CB-CG 4.02Å; K364-E367 HydrophobicContact CD-CG 3.87Å; K364-E367 WeakPolarHBondContact CD-OE1 3.43Å; K364-E367 HydrophobicContact CG-CG 4.15Å; K364-E367 PolarHBondContact O-N 3.08Å; K364-E367 VanDerWaalsContact O-N 3.08Å; K364-Q368 PolarHBondContact O-N 3.27Å; K364-Q368 VanDerWaalsContact O-N 3.08Å; K364-L393 PolarHBondContact NZ-O 2.88Å; K364-G394 WeakPolarHBondContact CE-O 3.42Å; K364-G394 PolarHBondContact NZ-O 3Å
365	S	94.6	Very high	96.9	Very high	59 Å²	59	58.9 Å²	58.9	41%	0.413	29%	0.289	S	S	.	.	H	α-helix	trans	-56.2	-45.1	-174.8	48	0	0	0	0	112.7	E367 Q368 E369	S365-E367 VanDerWaalsContact C-N 3.29Å; S365-E367 PolarHBondContact O-N 3.44Å; S365-Q368 WeakPolarHBondContact O-CB 3.41Å; S365-Q368 PolarHBondContact O-N 3.03Å; S365-E369 WeakPolarHBondContact O-CG 3.27Å; S365-E369 PolarHBondContact O-N 3.26Å
366	T	94	Very high	97	Very high	53 Å²	53	58 Å²	58	33%	0.325	29%	0.286	S	S	.	.	H	α-helix	trans	-59	-37.8	177	52.3	0	0	0	0	112.9	K364 Q368 E370	K364-T366 VanDerWaalsContact C-N 3.33Å; K364-T366 WeakPolarHBondContact CG-OG1 3.45Å; K364-T366 PolarHBondContact O-N 2.82Å; T366-Q368 VanDerWaalsContact C-N 3.34Å; T366-E370 WeakPolarHBondContact O-CB 3.47Å; T366-E370 WeakPolarHBondContact O-CG 3.25Å; T366-E370 PolarHBondContact O-N 3.02Å; T366-E370 VanDerWaalsContact O-N 3.1Å
367	E	95.8	Very high	97	Very high	25 Å²	25	59 Å²	59	12%	0.117	29%	0.289	C	S	.	.	H	α-helix	trans	-72.9	-32.7	177.6	-68.9	172	-175.9	0	0	110.8	K364 S365 F371 G396 R523 L524	K364-E367 HydrophobicContact CB-CB 4.17Å; K364-E367 HydrophobicContact CB-CG 4.02Å; K364-E367 HydrophobicContact CD-CG 3.87Å; K364-E367 WeakPolarHBondContact CD-OE1 3.43Å; K364-E367 HydrophobicContact CG-CG 4.15Å; K364-E367 PolarHBondContact O-N 3.08Å; K364-E367 VanDerWaalsContact O-N 3.08Å; S365-E367 VanDerWaalsContact C-N 3.29Å; S365-E367 PolarHBondContact O-N 3.44Å; E367-F371 VanDerWaalsContact O-CB 3.28Å; E367-F371 WeakPolarHBondContact O-CB 3.38Å; E367-F371 PolarHBondContact O-N 3.42Å; E367-G396 WeakPolarHBondContact OE1-CA 3.3Å; E367-R523 HydrophobicContact CB-CG 4.17Å; E367-L524 WeakPolarHBondContact OE2-CG 3.41Å; E367-L524 PolarHBondContact OE2-N 3.23Å
368	Q	94.1	Very high	97	Very high	116 Å²	116	56.5 Å²	56.5	54%	0.542	28%	0.276	S	S	.	.	H	α-helix	trans	-69	-39.4	177.2	-176.3	60	46.9	0	0	112.3	K364 S365 T366	K364-Q368 PolarHBondContact O-N 3.27Å; K364-Q368 VanDerWaalsContact O-N 3.08Å; S365-Q368 WeakPolarHBondContact O-CB 3.41Å; S365-Q368 PolarHBondContact O-N 3.03Å; T366-Q368 VanDerWaalsContact C-N 3.34Å
369	E	95.9	Very high	97.1	Very high	154 Å²	154	54.4 Å²	54.4	72%	0.72	27%	0.265	S	S	*	.	H	α-helix	trans	-75.3	-39.2	-178.9	-71.2	168.8	-163.9	0	0	112.1	S365	S365-E369 WeakPolarHBondContact O-CG 3.27Å; S365-E369 PolarHBondContact O-N 3.26Å
370	E	96.7	Very high	97.1	Very high	113 Å²	113	54.3 Å²	54.3	53%	0.528	26%	0.264	S	S	.	.	H	α-helix	trans	-96.6	4.1	-174.3	-61.1	-173.3	-174.1	0	0	114.1	T366 K372 N520	T366-E370 WeakPolarHBondContact O-CB 3.47Å; T366-E370 WeakPolarHBondContact O-CG 3.25Å; T366-E370 PolarHBondContact O-N 3.02Å; T366-E370 VanDerWaalsContact O-N 3.1Å; E370-K372 PolarHBondContact O-N 3.06Å; E370-N520 VanDerWaalsContact O-CB 3.3Å; E370-N520 WeakPolarHBondContact O-CB 3.47Å; E370-N520 PolarHBondContact O-ND2 3.1Å
371	F	98	Very high	97.1	Very high	39 Å²	39	54.3 Å²	54.3	17%	0.171	26%	0.264	C	S	.	.			trans	-60.3	129	-176.1	-170	-120.1	0	0	0	112.4	E367 D373 E443 N520 Q521 R523	E367-F371 VanDerWaalsContact O-CB 3.28Å; E367-F371 WeakPolarHBondContact O-CB 3.38Å; E367-F371 PolarHBondContact O-N 3.42Å; F371-D373 HydrophobicContact CD1-CB 4.24Å; F371-D373 HydrophobicContact CE1-CB 3.93Å; F371-E443 HydrophobicContact CZ-CG 4.43Å; F371-N520 CarbonylContact C-O 3.59Å; F371-N520 WeakPolarHBondContact CA-O 3.24Å; F371-N520 VanDerWaalsContact CD2-O 3.25Å; F371-N520 WeakPolarHBondContact CD2-O 3.38Å; F371-Q521 WeakPolarHBondContact CE2-O 3.16Å; F371-R523 HydrophobicContact CB-CG 4.43Å; F371-R523 HydrophobicContact CD2-CG 3.47Å; F371-R523 VanDerWaalsContact CD2-CG 3.47Å; F371-R523 HydrophobicContact CE2-CG 3.79Å; F371-R523 HydrophobicContact CG-CG 4.02Å
372	K	97.7	Very high	97.1	Very high	89 Å²	89	54 Å²	54	39%	0.387	26%	0.262	S	S	.	.			trans	-104.4	108.3	174.7	-69.4	-178	-177.1	178	0	109.6	E370 Y374 S445 N520	E370-K372 PolarHBondContact O-N 3.06Å; K372-Y374 HydrophobicContact CB-CE2 3.81Å; K372-S445 WeakPolarHBondContact O-CB 3.44Å; K372-N520 HydrophobicContact CB-CB 4.29Å; K372-N520 HydrophobicContact CD-CB 3.96Å; K372-N520 HydrophobicContact CG-CB 3.88Å; K372-N520 PolarHBondContact N-O 3.06Å
373	D	97.7	Very high	97	Very high	81 Å²	81	54.1 Å²	54.1	43%	0.433	26%	0.264	S	S	.	.			trans	-95.6	115.8	175.6	-166.8	9.1	0	0	0	112	F371 G375 R377 S445	F371-D373 HydrophobicContact CD1-CB 4.24Å; F371-D373 HydrophobicContact CE1-CB 3.93Å; D373-G375 WeakPolarHBondContact OD1-CA 3.48Å; D373-G375 PolarHBondContact OD1-N 3.16Å; D373-R377 VanDerWaalsContact CG-CD 3.4Å; D373-R377 VanDerWaalsContact OD1-CD 3.23Å; D373-R377 WeakPolarHBondContact OD1-CD 3.41Å; D373-R377 VanDerWaalsContact OD1-CG 3.25Å; D373-R377 WeakPolarHBondContact OD1-CG 3.38Å; D373-R377 IonicContact OD1-NE 2.7Å; D373-R377 VanDerWaalsContact OD2-CD 3.28Å; D373-R377 WeakPolarHBondContact OD2-CD 3.49Å; D373-R377 IonicContact OD2-CZ 3.75Å; D373-R377 IonicContact OD2-NE 3.73Å; D373-R377 PolarHBondContact OD2-NE 3.26Å; D373-S445 WeakPolarHBondContact CA-OG 3.44Å; D373-S445 PolarHBondContact OD1-OG 3.5Å
374	Y	97.3	Very high	97	Very high	99 Å²	99	48.7 Å²	48.7	39%	0.388	25%	0.246	S	C	.	.			trans	-104.5	10.4	172	-59.2	-73.5	0	0	0	112.8	K372 S445 G447 H467 Q521	K372-Y374 HydrophobicContact CB-CE2 3.81Å; Y374-S445 PolarHBondContact N-OG 2.85Å; Y374-G447 WeakPolarHBondContact O-CA 3.38Å; Y374-H467 AromaticContact CD1-CD2 3.23Å; Y374-H467 WeakPolarHBondContact CD1-CD2 3.35Å; Y374-H467 AromaticContact CD1-NE2 3.49Å; Y374-H467 WeakPolarHBondContact CD1-NE2 3.28Å; Y374-H467 HydrophobicContact CD2-CB 4.36Å; Y374-H467 AromaticContact CD2-CD2 3.95Å; Y374-H467 AromaticContact CE1-CD2 3.67Å; Y374-H467 HydrophobicContact CG-CB 4.32Å; Y374-H467 AromaticContact CG-CD2 3.38Å; Y374-H467 AromaticContact CG-CG 3.93Å; Y374-H467 AromaticContact CG-NE2 3.99Å; Y374-Q521 HydrophobicContact CD2-CG 3.93Å; Y374-Q521 HydrophobicContact CE2-CG 3.77Å
375	G	97.1	Very high	96.8	Very high	31 Å²	31	49.1 Å²	49.1	32%	0.32	25%	0.247	S	C	.	.	S	Bend	trans	79.3	-176.6	-170.7	0	0	0	0	0	113	D373 R377 S445 G447	D373-G375 WeakPolarHBondContact OD1-CA 3.48Å; D373-G375 PolarHBondContact OD1-N 3.16Å; G375-R377 PolarHBondContact O-N 3.14Å; G375-S445 PolarHBondContact O-OG 2.83Å; G375-G447 WeakPolarHBondContact O-CA 3.47Å; G375-G447 PolarHBondContact O-N 2.91Å
376	N	97.9	Very high	96.7	Very high	57 Å²	57	47.3 Å²	47.3	31%	0.305	23%	0.233	S	C	.	.			trans	49.9	55.6	-176	-172.6	15.9	0	0	0	111.5	L446 G447 Q449	N376-L446 HydrophobicContact CB-CB 4.37Å; N376-L446 WeakPolarHBondContact O-CB 3.45Å; N376-L446 PolarHBondContact O-N 3.34Å; N376-L446 VanDerWaalsContact O-N 3.08Å; N376-G447 PolarHBondContact ND2-O 2.81Å; N376-Q449 PolarHBondContact ND2-OE1 3.1Å
377	R	98.4	Very high	96.5	Very high	44 Å²	44	44.9 Å²	44.9	17%	0.166	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	121.3	-178.7	-65.8	-166.7	-80.8	122.9	9	109.6	D373 G375 E443 V444 D487 V489 I490	D373-R377 VanDerWaalsContact CG-CD 3.4Å; D373-R377 VanDerWaalsContact OD1-CD 3.23Å; D373-R377 WeakPolarHBondContact OD1-CD 3.41Å; D373-R377 VanDerWaalsContact OD1-CG 3.25Å; D373-R377 WeakPolarHBondContact OD1-CG 3.38Å; D373-R377 IonicContact OD1-NE 2.7Å; D373-R377 VanDerWaalsContact OD2-CD 3.28Å; D373-R377 WeakPolarHBondContact OD2-CD 3.49Å; D373-R377 IonicContact OD2-CZ 3.75Å; D373-R377 IonicContact OD2-NE 3.73Å; D373-R377 PolarHBondContact OD2-NE 3.26Å; G375-R377 PolarHBondContact O-N 3.14Å; R377-E443 HydrophobicContact CB-CG 4.49Å; R377-E443 VanDerWaalsContact CD-OE1 3.26Å; R377-E443 WeakPolarHBondContact CD-OE1 3.37Å; R377-E443 IonicContact CZ-OE1 2.91Å; R377-E443 IonicContact NE-OE1 3.96Å; R377-E443 IonicContact NH1-OE1 3.2Å; R377-E443 PolarHBondContact NH1-OE1 3.47Å; R377-V444 WeakPolarHBondContact CA-O 3.49Å; R377-D487 PolarHBondContact NH2-O 3.3Å; R377-V489 HydrophobicContact CB-CG2 4.15Å; R377-V489 VanDerWaalsContact NH1-CG2 3.26Å; R377-I490 PolarHBondContact O-N 3.13Å
378	M	98.6	Very high	96.4	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.01	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	145	-178.5	-65.7	-175.3	74.4	0	0	112	L380 E443 V444 L446 W482 I490 P492 Y514	M378-L380 HydrophobicContact CB-CD1 4.29Å; M378-L380 HydrophobicContact CB-CD2 3.97Å; M378-L380 HydrophobicContact CB-CG 3.86Å; M378-L380 HydrophobicContact CE-CD2 4.12Å; M378-L380 HydrophobicContact SD-CD2 4.49Å; M378-E443 WeakPolarHBondContact O-CA 3.33Å; M378-V444 PolarHBondContact N-O 2.91Å; M378-V444 PolarHBondContact O-N 2.62Å; M378-L446 HydrophobicContact CB-CD1 3.98Å; M378-L446 HydrophobicContact CG-CD1 3.69Å; M378-L446 HydrophobicContact SD-CD1 3.33Å; M378-L446 WeakPolarHBondContact SD-CD1 3.27Å; M378-W482 HydrophobicContact CE-CH2 4.04Å; M378-W482 HydrophobicContact CE-CZ2 4.43Å; M378-W482 HydrophobicContact CE-CZ3 4.21Å; M378-I490 CarbonylContact C-O 3.57Å; M378-I490 VanDerWaalsContact CA-O 3.26Å; M378-I490 WeakPolarHBondContact CA-O 3.33Å; M378-I490 HydrophobicContact CE-CG2 4.4Å; M378-I490 HydrophobicContact CG-CB 4.19Å; M378-P492 HydrophobicContact CE-CB 3.61Å; M378-P492 HydrophobicContact CE-CG 3.61Å; M378-Y514 HydrophobicContact SD-CE1 4.29Å
379	L	98.6	Very high	96.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	109.9	164.4	-78.3	-160.3	0	0	0	109.9	Y340 V441 C442 E443 L485 V489 I490 V491 P492 R525 Y526	Y340-L379 WeakPolarHBondContact CE1-O 3.36Å; Y340-L379 PolarHBondContact OH-O 3.34Å; L379-V441 HydrophobicContact CB-CG1 3.52Å; L379-V441 HydrophobicContact CD1-CG1 4.01Å; L379-V441 HydrophobicContact CD2-CG1 4.08Å; L379-V441 HydrophobicContact CG-CG1 4.05Å; L379-C442 CarbonylContact C-O 3.54Å; L379-C442 VanDerWaalsContact CA-O 3.31Å; L379-C442 WeakPolarHBondContact CA-O 3.36Å; L379-E443 HydrophobicContact CD2-CB 3.95Å; L379-L485 HydrophobicContact CD1-CD1 4.02Å; L379-V489 HydrophobicContact CD2-CG1 3.93Å; L379-V489 HydrophobicContact CG-CG1 3.75Å; L379-I490 PolarHBondContact N-O 3.38Å; L379-V491 HydrophobicContact CB-CG2 4.21Å; L379-V491 HydrophobicContact CD1-CG2 3.83Å; L379-V491 HydrophobicContact CG-CG2 4.17Å; L379-P492 WeakPolarHBondContact O-CD 3.32Å; L379-R525 HydrophobicContact CD2-CB 4.25Å; L379-R525 HydrophobicContact CD2-CG 3.99Å; L379-Y526 HydrophobicContact CD1-CD2 4.22Å; L379-Y526 HydrophobicContact CD1-CE2 4.02Å
380	L	98.8	Very high	96.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	147.5	-174.8	-57.7	173.8	0	0	0	112.5	M378 F417 D419 V441 C442 V444 L446 P492 Y514	M378-L380 HydrophobicContact CB-CD1 4.29Å; M378-L380 HydrophobicContact CB-CD2 3.97Å; M378-L380 HydrophobicContact CB-CG 3.86Å; M378-L380 HydrophobicContact CE-CD2 4.12Å; M378-L380 HydrophobicContact SD-CD2 4.49Å; L380-F417 HydrophobicContact CB-CB 3.64Å; L380-F417 HydrophobicContact CB-CD1 4.24Å; L380-F417 HydrophobicContact CB-CG 4.17Å; L380-F417 HydrophobicContact CD1-CB 3.87Å; L380-F417 HydrophobicContact CD1-CG 4.44Å; L380-F417 HydrophobicContact CG-CB 4.43Å; L380-D419 HydrophobicContact CD2-CB 4.22Å; L380-V441 WeakPolarHBondContact O-CA 3.48Å; L380-C442 PolarHBondContact N-O 3.35Å; L380-C442 PolarHBondContact O-N 3.46Å; L380-V444 HydrophobicContact CB-CG2 4.34Å; L380-V444 HydrophobicContact CD1-CB 4.06Å; L380-V444 HydrophobicContact CD1-CG2 4.13Å; L380-L446 HydrophobicContact CD1-CD1 4.26Å; L380-L446 HydrophobicContact CD1-CD2 4.21Å; L380-P492 HydrophobicContact CD2-CG 4.2Å; L380-Y514 HydrophobicContact CD1-CD1 4.24Å; L380-Y514 HydrophobicContact CD1-CD2 3.95Å; L380-Y514 HydrophobicContact CD1-CG 3.69Å; L380-Y514 HydrophobicContact CD2-CD2 3.98Å; L380-Y514 HydrophobicContact CD2-CE2 4.04Å; L380-Y514 HydrophobicContact CD2-CG 4.43Å
381	W	98.7	Very high	96.1	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	133.9	-178.4	-62.7	104.7	0	0	0	112.1	Y340 M341 F417 A418 S424 M439 I440 V441 L528	Y340-W381 AromaticContact CD1-CE2 3.68Å; Y340-W381 HydrophobicContact CD1-CH2 4.35Å; Y340-W381 AromaticContact CD1-CZ2 3.39Å; Y340-W381 HydrophobicContact CD1-CZ2 3.39Å; Y340-W381 AromaticContact CD1-NE1 3.71Å; Y340-W381 HydrophobicContact CD2-CZ2 4.38Å; Y340-W381 AromaticContact CD2-NE1 3.75Å; Y340-W381 HydrophobicContact CE1-CD2 4.43Å; Y340-W381 AromaticContact CE1-CE2 3.57Å; Y340-W381 AromaticContact CE1-CZ2 3.8Å; Y340-W381 HydrophobicContact CE1-CZ2 3.8Å; Y340-W381 AromaticContact CE1-NE1 3.32Å; Y340-W381 VanDerWaalsContact CE1-NE1 3.32Å; Y340-W381 AromaticContact CE2-NE1 3.34Å; Y340-W381 VanDerWaalsContact CE2-NE1 3.34Å; Y340-W381 AromaticContact CG-CZ2 3.73Å; Y340-W381 HydrophobicContact CG-CZ2 3.73Å; Y340-W381 AromaticContact CG-NE1 3.92Å; Y340-W381 AromaticContact CZ-CD1 3.61Å; Y340-W381 AromaticContact CZ-CE2 3.88Å; Y340-W381 AromaticContact CZ-NE1 3.11Å; M341-W381 HydrophobicContact CB-CH2 3.9Å; M341-W381 HydrophobicContact CB-CZ2 3.95Å; M341-W381 HydrophobicContact CG-CH2 4.29Å; W381-F417 WeakPolarHBondContact O-CA 3.38Å; W381-A418 WeakPolarHBondContact CB-O 3.4Å; W381-A418 PolarHBondContact N-O 2.99Å; W381-A418 PolarHBondContact O-N 3.26Å; W381-S424 PolarHBondContact O-OG 3.36Å; W381-M439 HydrophobicContact CB-CE 4.44Å; W381-M439 HydrophobicContact CD2-CE 4.31Å; W381-M439 HydrophobicContact CE3-CE 3.85Å; W381-I440 CarbonylContact C-O 3.57Å; W381-V441 HydrophobicContact CD2-CG2 3.91Å; W381-V441 HydrophobicContact CE3-CG2 3.38Å; W381-V441 HydrophobicContact CH2-CG2 3.44Å; W381-V441 VanDerWaalsContact CH2-CG2 3.44Å; W381-V441 HydrophobicContact CZ2-CG2 3.96Å; W381-V441 HydrophobicContact CZ3-CG2 3.14Å; W381-L528 HydrophobicContact CH2-CD1 4.29Å; W381-L528 HydrophobicContact CH2-CD2 3.75Å; W381-L528 HydrophobicContact CZ3-CD1 3.88Å; W381-L528 HydrophobicContact CZ3-CD2 3.83Å; W381-L528 HydrophobicContact CZ3-CG 4.4Å
382	H	98.4	Very high	96	Very high	28 Å²	28	24.5 Å²	24.5	13%	0.13	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	137.1	164.2	-179.5	83.2	0	0	0	109.5	L397 Y416 F417 I440	H382-L397 WeakPolarHBondContact NE2-CD2 3.26Å; H382-Y416 PolarHBondContact ND1-O 3.2Å; H382-F417 HydrophobicContact CB-CD1 3.84Å; H382-F417 HydrophobicContact CB-CE1 3.94Å; H382-I440 HydrophobicContact CB-CG2 3.86Å; H382-I440 PolarHBondContact N-O 2.99Å; H382-I440 PolarHBondContact O-N 3.3Å
383	G	97	Very high	96	Very high	5 Å²	5	20.2 Å²	20.2	5%	0.052	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	144.5	176.3	0	0	0	0	0	109.8	S424 Y427	G383-S424 WeakPolarHBondContact CA-O 3.38Å; G383-Y427 VanDerWaalsContact O-CB 3.27Å; G383-Y427 WeakPolarHBondContact O-CB 3.37Å
384	S	95.3	Very high	95.8	Very high	16 Å²	16	17 Å²	17	11%	0.112	9%	0.09	C	C	.	.			trans	-152.3	157.8	-178.4	-157.2	0	0	0	0	110.2	N388 W389 Y427	S384-N388 WeakPolarHBondContact OG-CB 3.14Å; S384-N388 PolarHBondContact OG-ND2 3.05Å; S384-W389 PolarHBondContact O-NE1 2.91Å; S384-W389 VanDerWaalsContact O-NE1 3.08Å; S384-Y427 CarbonylContact C-O 3.32Å; S384-Y427 WeakPolarHBondContact CA-O 3.45Å
385	R	93.1	Very high	95.6	Very high	21 Å²	21	16.2 Å²	16.2	8%	0.079	9%	0.087	C	C	.	.			trans	-55.5	149.2	175.8	-68.2	178	-179.5	-95.8	-2.8	110.5	T387 N388 W389 Y427 Y429	R385-T387 PolarHBondContact O-N 3.24Å; R385-T387 VanDerWaalsContact O-N 3.1Å; R385-N388 WeakPolarHBondContact O-CB 3.25Å; R385-N388 PolarHBondContact O-N 3.43Å; R385-W389 PolarHBondContact O-NE1 2.74Å; R385-Y427 PolarHBondContact N-O 2.93Å; R385-Y429 HydrophobicContact CG-CD2 3.55Å; R385-Y429 HydrophobicContact CG-CE2 4.27Å; R385-Y429 HydrophobicContact CG-CG 4.36Å; R385-Y429 VanDerWaalsContact CZ-CD2 3.43Å
386	L	92.7	Very high	95.5	Very high	21 Å²	21	15 Å²	15	11%	0.11	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	-56.4	-33.8	-178.1	-175.5	57.9	0	0	0	113	L169 I170 N388 W389 L438	L169-L386 HydrophobicContact CD1-CD2 3.68Å; L169-L386 HydrophobicContact CD2-CD1 4.24Å; L169-L386 HydrophobicContact CG-CD1 3.91Å; L169-L386 HydrophobicContact CG-CD2 3.87Å; I170-L386 HydrophobicContact CG2-CD1 3.98Å; L386-N388 PolarHBondContact O-N 2.91Å; L386-W389 PolarHBondContact O-N 3.39Å; L386-L438 HydrophobicContact CD1-CD1 3.89Å; L386-L438 HydrophobicContact CD1-CG 4.1Å
387	T	89.3	Confident	95.4	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.006	6%	0.063	C	C	.	.	G	3₁₀ helix	trans	-62.6	-21.1	178.1	53.2	0	0	0	0	114.7	M176 V179 I295 R385	M176-T387 HydrophobicContact CB-CG2 4.18Å; M176-T387 HydrophobicContact CG-CG2 3.89Å; V179-T387 HydrophobicContact CB-CG2 3.79Å; V179-T387 HydrophobicContact CG1-CG2 4.02Å; V179-T387 HydrophobicContact CG2-CG2 3.83Å; I295-T387 HydrophobicContact CD1-CG2 4.22Å; I295-T387 HydrophobicContact CG1-CG2 4.46Å; R385-T387 PolarHBondContact O-N 3.24Å; R385-T387 VanDerWaalsContact O-N 3.1Å
388	N	93	Very high	95.2	Very high	10 Å²	10	14.9 Å²	14.9	5%	0.053	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	-89.6	-15.1	-171.8	-62.1	-0.3	0	0	0	112.3	D294 S384 R385 L386 V390 G391 I392	D294-N388 HydrophobicContact CB-CB 4.32Å; D294-N388 WeakPolarHBondContact OD2-CB 3.45Å; D294-N388 PolarHBondContact OD2-OD1 3.29Å; S384-N388 WeakPolarHBondContact OG-CB 3.14Å; S384-N388 PolarHBondContact OG-ND2 3.05Å; R385-N388 WeakPolarHBondContact O-CB 3.25Å; R385-N388 PolarHBondContact O-N 3.43Å; L386-N388 PolarHBondContact O-N 2.91Å; N388-V390 PolarHBondContact O-N 2.83Å; N388-G391 CarbonylContact O-C 3.53Å; N388-G391 WeakPolarHBondContact O-CA 3.42Å; N388-G391 PolarHBondContact O-N 3.45Å; N388-I392 HydrophobicContact CB-CD1 4.2Å; N388-I392 WeakPolarHBondContact O-CG1 3.05Å; N388-I392 PolarHBondContact O-N 2.8Å
389	W	95.4	Very high	95	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-72.1	-26.4	-169.7	-73.2	92.8	0	0	0	115	I170 S384 R385 L386 G391 I392 L393 L438 I440 L527	I170-W389 HydrophobicContact CB-CB 4.27Å; I170-W389 HydrophobicContact CG2-CB 3.76Å; S384-W389 PolarHBondContact O-NE1 2.91Å; S384-W389 VanDerWaalsContact O-NE1 3.08Å; R385-W389 PolarHBondContact O-NE1 2.74Å; L386-W389 PolarHBondContact O-N 3.39Å; W389-G391 VanDerWaalsContact C-N 3.29Å; W389-I392 HydrophobicContact CD2-CD1 4.26Å; W389-I392 HydrophobicContact CE3-CB 4.12Å; W389-I392 HydrophobicContact CE3-CD1 4.18Å; W389-I392 HydrophobicContact CE3-CG2 4.01Å; W389-I392 HydrophobicContact CZ3-CB 4.46Å; W389-I392 HydrophobicContact CZ3-CD1 4.32Å; W389-I392 HydrophobicContact CZ3-CG2 3.89Å; W389-I392 PolarHBondContact O-N 2.92Å; W389-L393 WeakPolarHBondContact O-CB 3.45Å; W389-L393 VanDerWaalsContact O-CG 3.3Å; W389-L393 WeakPolarHBondContact O-CG 3.41Å; W389-L393 PolarHBondContact O-N 3.45Å; W389-L438 HydrophobicContact CB-CD1 4.07Å; W389-L438 HydrophobicContact CD2-CB 3.94Å; W389-L438 HydrophobicContact CD2-CD1 3.98Å; W389-L438 VanDerWaalsContact CE2-CB 3.48Å; W389-L438 HydrophobicContact CG-CB 4.23Å; W389-L438 HydrophobicContact CG-CD1 3.65Å; W389-L438 HydrophobicContact CZ2-CB 3.84Å; W389-L438 WeakPolarHBondContact CZ2-O 3.34Å; W389-I440 HydrophobicContact CH2-CB 3.57Å; W389-I440 HydrophobicContact CH2-CG2 3.56Å; W389-I440 HydrophobicContact CZ3-CB 3.74Å; W389-I440 HydrophobicContact CZ3-CD1 4.1Å; W389-I440 HydrophobicContact CZ3-CG2 3.85Å; W389-L527 HydrophobicContact CD2-CD1 4.29Å; W389-L527 HydrophobicContact CE3-CD1 3.59Å; W389-L527 HydrophobicContact CH2-CD1 3.71Å; W389-L527 HydrophobicContact CZ2-CD1 4.4Å; W389-L527 HydrophobicContact CZ3-CD1 3.27Å
390	V	93.4	Very high	94.6	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-63.7	-41	169.6	178.1	0	0	0	0	110	I170 A298 L320 N388 G394	I170-V390 HydrophobicContact CB-CG2 4.11Å; I170-V390 HydrophobicContact CD1-CG2 4.16Å; I170-V390 HydrophobicContact CG1-CG2 3.97Å; I170-V390 WeakPolarHBondContact O-CG2 3.35Å; A298-V390 HydrophobicContact CB-CB 3.73Å; A298-V390 HydrophobicContact CB-CG1 3.61Å; A298-V390 HydrophobicContact CB-CG2 4.19Å; L320-V390 HydrophobicContact CD2-CG1 4.01Å; N388-V390 PolarHBondContact O-N 2.83Å; V390-G394 WeakPolarHBondContact O-CA 3.37Å; V390-G394 PolarHBondContact O-N 3.08Å
391	G	92.7	Very high	94.3	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-61.1	-55.9	171.2	0	0	0	0	0	111.8	N388 W389 L393 G394 R395	N388-G391 CarbonylContact O-C 3.53Å; N388-G391 WeakPolarHBondContact O-CA 3.42Å; N388-G391 PolarHBondContact O-N 3.45Å; W389-G391 VanDerWaalsContact C-N 3.29Å; G391-L393 PolarHBondContact O-N 2.75Å; G391-G394 PolarHBondContact O-N 3.24Å; G391-R395 WeakPolarHBondContact O-CG 3.39Å; G391-R395 PolarHBondContact O-N 3.21Å
392	I	95.6	Very high	94	Very high	9 Å²	9	25.1 Å²	25.1	5%	0.046	14%	0.138	C	C	.	.	H	α-helix	trans	-59.4	-48.1	-176	-64.4	168.9	0	0	0	111.8	N388 W389 G396 L397 L524	N388-I392 HydrophobicContact CB-CD1 4.2Å; N388-I392 WeakPolarHBondContact O-CG1 3.05Å; N388-I392 PolarHBondContact O-N 2.8Å; W389-I392 HydrophobicContact CD2-CD1 4.26Å; W389-I392 HydrophobicContact CE3-CB 4.12Å; W389-I392 HydrophobicContact CE3-CD1 4.18Å; W389-I392 HydrophobicContact CE3-CG2 4.01Å; W389-I392 HydrophobicContact CZ3-CB 4.46Å; W389-I392 HydrophobicContact CZ3-CD1 4.32Å; W389-I392 HydrophobicContact CZ3-CG2 3.89Å; W389-I392 PolarHBondContact O-N 2.92Å; I392-G396 CarbonylContact O-C 3.56Å; I392-G396 WeakPolarHBondContact O-CA 3.33Å; I392-G396 PolarHBondContact O-N 2.77Å; I392-L397 HydrophobicContact CD1-CD2 4.08Å; I392-L397 HydrophobicContact CG1-CD2 3.97Å; I392-L397 HydrophobicContact CG2-CD2 3.93Å; I392-L397 HydrophobicContact CG2-CG 4.16Å; I392-L524 HydrophobicContact CG2-CD1 4.31Å; I392-L524 HydrophobicContact CG2-CD2 4.48Å
393	L	96.2	Very high	93.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-70.5	-36.3	178.5	-63.1	171.1	0	0	0	111.6	I170 L320 C322 I324 K364 W389 G391 L524 L527	I170-L393 HydrophobicContact CD1-CD1 3.82Å; L320-L393 HydrophobicContact CD1-CB 4.31Å; L320-L393 HydrophobicContact CD1-CD1 4.26Å; L320-L393 HydrophobicContact CD2-CB 4.41Å; L320-L393 VanDerWaalsContact O-O 3.05Å; C322-L393 WeakPolarHBondContact CB-O 3Å; I324-L393 HydrophobicContact CD1-CD1 4.04Å; K364-L393 PolarHBondContact NZ-O 2.88Å; W389-L393 WeakPolarHBondContact O-CB 3.45Å; W389-L393 VanDerWaalsContact O-CG 3.3Å; W389-L393 WeakPolarHBondContact O-CG 3.41Å; W389-L393 PolarHBondContact O-N 3.45Å; G391-L393 PolarHBondContact O-N 2.75Å; L393-L524 HydrophobicContact CD2-CD1 4.21Å; L393-L527 HydrophobicContact CD1-CD2 4.33Å; L393-L527 HydrophobicContact CD2-CD2 4.44Å
394	G	93.6	Very high	93.4	Very high	12 Å²	12	26.5 Å²	26.5	12%	0.124	14%	0.144	C	C	.	.	H	α-helix	trans	-68.4	-49.1	-177.8	0	0	0	0	0	114.6	L320 K364 V390 G391	L320-G394 VanDerWaalsContact O-CA 3.29Å; L320-G394 WeakPolarHBondContact O-CA 3.09Å; K364-G394 WeakPolarHBondContact CE-O 3.42Å; K364-G394 PolarHBondContact NZ-O 3Å; V390-G394 WeakPolarHBondContact O-CA 3.37Å; V390-G394 PolarHBondContact O-N 3.08Å; G391-G394 PolarHBondContact O-N 3.24Å
395	R	92.7	Very high	93.3	Very high	84 Å²	84	25.7 Å²	25.7	32%	0.317	14%	0.138	S	C	.	.	H	α-helix	trans	-119.8	0.1	-173.2	54.6	170.3	-179.7	-175	2.3	114.4	D294 F297 G391 Q398	D294-R395 IonicContact OD1-CZ 3.41Å; D294-R395 IonicContact OD1-NE 2.78Å; D294-R395 IonicContact OD1-NH2 3.35Å; D294-R395 PolarHBondContact OD1-NH2 3.14Å; F297-R395 HydrophobicContact CE1-CG 4.33Å; F297-R395 HydrophobicContact CZ-CB 4.16Å; F297-R395 HydrophobicContact CZ-CG 4.15Å; G391-R395 WeakPolarHBondContact O-CG 3.39Å; G391-R395 PolarHBondContact O-N 3.21Å; R395-Q398 HydrophobicContact CG-CG 4.27Å; R395-Q398 PolarHBondContact O-NE2 3.4Å
396	G	95.2	Very high	93	Very high	4 Å²	4	25.3 Å²	25.3	4%	0.041	14%	0.139	C	C	.	.			trans	77.7	173.1	-170.6	0	0	0	0	0	112	E367 I392 Q398	E367-G396 WeakPolarHBondContact OE1-CA 3.3Å; I392-G396 CarbonylContact O-C 3.56Å; I392-G396 WeakPolarHBondContact O-CA 3.33Å; I392-G396 PolarHBondContact O-N 2.77Å; G396-Q398 PolarHBondContact O-NE2 3.47Å
397	L	96.4	Very high	92.5	Very high	13 Å²	13	25 Å²	25	7%	0.068	14%	0.138	C	C	.	.			trans	-64.5	135.9	174.2	-71.8	166.9	0	0	0	110.7	H382 I392 V415 F417 I519 I522 L524	H382-L397 WeakPolarHBondContact NE2-CD2 3.26Å; I392-L397 HydrophobicContact CD1-CD2 4.08Å; I392-L397 HydrophobicContact CG1-CD2 3.97Å; I392-L397 HydrophobicContact CG2-CD2 3.93Å; I392-L397 HydrophobicContact CG2-CG 4.16Å; L397-V415 HydrophobicContact CB-CG1 3.96Å; L397-V415 HydrophobicContact CB-CG2 4.41Å; L397-V415 HydrophobicContact CD1-CG1 3.93Å; L397-V415 HydrophobicContact CG-CG1 4.36Å; L397-F417 HydrophobicContact CD1-CE1 3.72Å; L397-F417 HydrophobicContact CD1-CZ 3.71Å; L397-I519 WeakPolarHBondContact O-CG2 3.35Å; L397-I522 HydrophobicContact CB-CD1 4.39Å; L397-I522 HydrophobicContact CD1-CG2 4.13Å; L397-L524 HydrophobicContact CD1-CD2 4.28Å; L397-L524 HydrophobicContact CG-CD2 4.39Å
398	Q	94.5	Very high	92.1	Very high	87 Å²	87	25.6 Å²	25.6	41%	0.407	14%	0.143	S	C	.	.			trans	-112.2	146.2	-175.1	-61.1	-60.6	-56.3	0	0	111.3	R395 G396	R395-Q398 HydrophobicContact CG-CG 4.27Å; R395-Q398 PolarHBondContact O-NE2 3.4Å; G396-Q398 PolarHBondContact O-NE2 3.47Å
399	I	94.7	Very high	91.9	Very high	49 Å²	49	26.2 Å²	26.2	25%	0.251	15%	0.145	S	C	.	.	P	Polyproline II helix	trans	-83.6	140.4	166.2	-63.5	170.9	0	0	0	108.1	K413 V415 Y517 I519	I399-K413 HydrophobicContact CG2-CB 4.29Å; I399-K413 WeakPolarHBondContact CG2-O 3.46Å; I399-V415 HydrophobicContact CG1-CG2 3.86Å; I399-Y517 WeakPolarHBondContact CD1-O 3.48Å; I399-I519 HydrophobicContact CD1-CG2 4.11Å; I399-I519 HydrophobicContact CG1-CG2 3.91Å
400	A	90.9	Very high	91.6	Very high	14 Å²	14	29.4 Å²	29.4	12%	0.116	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-53.4	139.8	175.6	0	0	0	0	0	111.8	A404 Y409 K413	A400-A404 HydrophobicContact CB-CB 3.96Å; A400-Y409 HydrophobicContact CB-CE1 4.38Å; A400-Y409 HydrophobicContact CB-CE2 3.96Å; A400-Y409 WeakPolarHBondContact CB-OH 3.44Å; A400-K413 HydrophobicContact CB-CD 4.15Å; A400-K413 HydrophobicContact CB-CG 4.42Å
401	P	92.4	Very high	91.7	Very high	38 Å²	38	29.4 Å²	29.4	25%	0.247	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-65	163	-173.1	29.3	-37.2	0	0	0	112.5	Y204 E403 A404 K413	Y204-P401 HydrophobicContact CD2-CG 3.82Å; Y204-P401 HydrophobicContact CE2-CG 3.79Å; Y204-P401 HydrophobicContact CG-CG 4.32Å; P401-E403 WeakPolarHBondContact CB-OE2 3.28Å; P401-E403 PolarHBondContact O-N 3.08Å; P401-E403 VanDerWaalsContact O-N 3.14Å; P401-A404 HydrophobicContact CG-CB 4.2Å; P401-A404 VanDerWaalsContact O-CB 3.32Å; P401-A404 WeakPolarHBondContact O-CB 3.11Å; P401-A404 PolarHBondContact O-N 3.21Å; P401-K413 PolarHBondContact O-NZ 3.13Å
402	P	90.9	Very high	91.7	Very high	115 Å²	115	29.4 Å²	29.4	75%	0.747	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-33.2	-179.3	-28	36.4	0	0	0	114.2	A404 K413	P402-A404 VanDerWaalsContact C-N 3.29Å; P402-A404 PolarHBondContact O-N 2.93Å; P402-K413 VanDerWaalsContact C-NZ 3.27Å; P402-K413 PolarHBondContact O-NZ 3.4Å
403	E	92.1	Very high	91.5	Very high	62 Å²	62	30 Å²	30	29%	0.29	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-15.6	179.3	-55.1	87.3	162.8	0	0	113.5	Y204 P401	Y204-E403 CarbonylContact C-O 3.57Å; P401-E403 WeakPolarHBondContact CB-OE2 3.28Å; P401-E403 PolarHBondContact O-N 3.08Å; P401-E403 VanDerWaalsContact O-N 3.14Å
404	A	92.3	Very high	91.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	-71.6	142.9	179.4	0	0	0	0	0	111.6	Y204 A400 P401 P402 S406 K413	Y204-A404 HydrophobicContact CD1-CB 3.43Å; Y204-A404 VanDerWaalsContact CD1-CB 3.43Å; Y204-A404 HydrophobicContact CE1-CB 3.71Å; Y204-A404 HydrophobicContact CG-CB 4.08Å; A400-A404 HydrophobicContact CB-CB 3.96Å; P401-A404 HydrophobicContact CG-CB 4.2Å; P401-A404 VanDerWaalsContact O-CB 3.32Å; P401-A404 WeakPolarHBondContact O-CB 3.11Å; P401-A404 PolarHBondContact O-N 3.21Å; P402-A404 VanDerWaalsContact C-N 3.29Å; P402-A404 PolarHBondContact O-N 2.93Å; A404-S406 PolarHBondContact O-N 3.32Å; A404-K413 HydrophobicContact CB-CD 4.22Å; A404-K413 WeakPolarHBondContact O-CD 3.11Å; A404-K413 PolarHBondContact O-NZ 3.03Å
405	P	91.5	Very high	91.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.163	C	C	.	.			trans	-60.8	133.5	178.3	-4.1	9.7	0	0	0	112	L207 D208 V282 I286 Y409	L207-P405 HydrophobicContact CB-CG 4.18Å; L207-P405 HydrophobicContact CD2-CG 4.06Å; L207-P405 HydrophobicContact CG-CG 3.82Å; D208-P405 HydrophobicContact CB-CB 4.37Å; D208-P405 HydrophobicContact CB-CG 4.36Å; D208-P405 VanDerWaalsContact OD1-CA 3.31Å; D208-P405 WeakPolarHBondContact OD1-CA 3.19Å; V282-P405 HydrophobicContact CG1-CB 4.22Å; V282-P405 HydrophobicContact CG1-CG 4Å; I286-P405 HydrophobicContact CD1-CB 4.31Å; I286-P405 HydrophobicContact CD1-CG 3.89Å; I286-P405 HydrophobicContact CG1-CG 4.03Å; P405-Y409 WeakPolarHBondContact O-CD2 3.35Å; P405-Y409 WeakPolarHBondContact O-CE2 3.39Å
406	S	87.7	Confident	91.9	Very high	13 Å²	13	28 Å²	28	9%	0.091	16%	0.155	C	C	.	.	S	Bend	trans	-75.9	-30.8	175.6	-60.8	0	0	0	0	112.6	A404 G408 Y409	A404-S406 PolarHBondContact O-N 3.32Å; S406-G408 VanDerWaalsContact C-N 3.3Å; S406-G408 PolarHBondContact O-N 3.32Å; S406-Y409 PolarHBondContact O-N 2.84Å; S406-Y409 VanDerWaalsContact O-N 3.12Å
407	T	81.6	Confident	92	Very high	15 Å²	15	28 Å²	28	9%	0.092	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-8.9	-172.6	60.6	0	0	0	0	115	S211 D215 M279 Y409 Y458	S211-T407 PolarHBondContact OG-OG1 2.89Å; D215-T407 WeakPolarHBondContact OD2-CB 3.18Å; D215-T407 WeakPolarHBondContact OD2-CG2 3.4Å; D215-T407 PolarHBondContact OD2-OG1 2.89Å; M279-T407 WeakPolarHBondContact CE-OG1 3.4Å; M279-T407 PolarHBondContact SD-OG1 2.85Å; T407-Y409 PolarHBondContact O-N 3.03Å; T407-Y458 HydrophobicContact CG2-CE2 4.42Å
408	G	81.8	Confident	92.1	Very high	12 Å²	12	27.4 Å²	27.4	12%	0.124	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-13.2	164.8	0	0	0	0	0	114.1	S406	S406-G408 VanDerWaalsContact C-N 3.3Å; S406-G408 PolarHBondContact O-N 3.32Å
409	Y	88.7	Confident	92.3	Very high	24 Å²	24	23.3 Å²	23.3	9%	0.094	13%	0.132	C	C	.	.	S	Bend	trans	-109.1	127	-179.6	-58.2	-84.8	0	0	0	110.6	I286 E290 A400 P405 S406 T407 F411 G412 K413 Y416 S457	I286-Y409 HydrophobicContact CD1-CD2 4.44Å; I286-Y409 HydrophobicContact CD1-CE2 3.9Å; I286-Y409 HydrophobicContact CG2-CE1 4.34Å; I286-Y409 HydrophobicContact CG2-CE2 4.36Å; I286-Y409 WeakPolarHBondContact CG2-OH 3.41Å; E290-Y409 PolarHBondContact OE1-OH 2.74Å; A400-Y409 HydrophobicContact CB-CE1 4.38Å; A400-Y409 HydrophobicContact CB-CE2 3.96Å; A400-Y409 WeakPolarHBondContact CB-OH 3.44Å; P405-Y409 WeakPolarHBondContact O-CD2 3.35Å; P405-Y409 WeakPolarHBondContact O-CE2 3.39Å; S406-Y409 PolarHBondContact O-N 2.84Å; S406-Y409 VanDerWaalsContact O-N 3.12Å; T407-Y409 PolarHBondContact O-N 3.03Å; Y409-F411 VanDerWaalsContact C-N 3.32Å; Y409-F411 PolarHBondContact O-N 2.85Å; Y409-G412 VanDerWaalsContact CB-O 3.27Å; Y409-G412 WeakPolarHBondContact CB-O 3.33Å; Y409-G412 PolarHBondContact O-N 3.1Å; Y409-K413 HydrophobicContact CD2-CD 4.5Å; Y409-K413 HydrophobicContact CD2-CG 3.68Å; Y409-K413 HydrophobicContact CE2-CD 4.25Å; Y409-K413 HydrophobicContact CE2-CG 3.83Å; Y409-K413 HydrophobicContact CG-CG 4.45Å; Y409-Y416 WeakPolarHBondContact CB-OH 3.35Å; Y409-Y416 HydrophobicContact CD1-CE2 4.07Å; Y409-S457 WeakPolarHBondContact O-CA 3.46Å; Y409-S457 WeakPolarHBondContact O-CB 3.38Å; Y409-S457 PolarHBondContact O-OG 2.81Å
410	M	89.6	Confident	92.4	Very high	66 Å²	66	21 Å²	21	33%	0.325	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-36.2	-172.1	-171.8	174.3	-68.5	0	0	113.4	Y416 C456 S457 I508 L509	M410-Y416 PolarHBondContact N-OH 3.23Å; M410-C456 CarbonylContact O-C 3.6Å; M410-C456 PolarHBondContact O-N 3.35Å; M410-S457 PolarHBondContact O-N 3.5Å; M410-I508 HydrophobicContact SD-CG2 4.33Å; M410-L509 HydrophobicContact CE-CD2 3.99Å; M410-L509 HydrophobicContact SD-CD2 3.45Å; M410-L509 WeakPolarHBondContact SD-CD2 3.46Å; M410-L509 HydrophobicContact SD-CG 4.09Å
411	F	94	Very high	92.8	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.7	26.2	177.6	-53.9	-73	0	0	0	111.5	Y409 Y416 L452 Q454 C456 A459 V469 L509 E513 I515 Y517	Y409-F411 VanDerWaalsContact C-N 3.32Å; Y409-F411 PolarHBondContact O-N 2.85Å; F411-Y416 VanDerWaalsContact C-OH 3.3Å; F411-Y416 WeakPolarHBondContact CA-OH 3.36Å; F411-Y416 AromaticContact CD2-CE1 3.97Å; F411-Y416 HydrophobicContact CD2-CE1 3.97Å; F411-Y416 PolarHBondContact N-OH 2.87Å; F411-L452 HydrophobicContact CD1-CB 4.24Å; F411-L452 HydrophobicContact CD1-CD1 3.8Å; F411-L452 HydrophobicContact CE1-CB 3.91Å; F411-L452 HydrophobicContact CE1-CD1 4.3Å; F411-Q454 WeakPolarHBondContact CE1-O 3.48Å; F411-C456 CarbonylContact C-O 3.42Å; F411-C456 VanDerWaalsContact CA-O 3.26Å; F411-C456 WeakPolarHBondContact CA-O 3.33Å; F411-A459 HydrophobicContact CB-CB 4.44Å; F411-V469 HydrophobicContact CB-CG1 4.02Å; F411-V469 HydrophobicContact CD1-CG1 4.03Å; F411-V469 HydrophobicContact CG-CG1 4.03Å; F411-L509 HydrophobicContact CE2-CD1 3.79Å; F411-L509 HydrophobicContact CZ-CD1 3.74Å; F411-L509 HydrophobicContact CZ-CG 4.37Å; F411-E513 HydrophobicContact CE2-CB 4.46Å; F411-I515 HydrophobicContact CB-CD1 3.93Å; F411-I515 HydrophobicContact CB-CG1 4.17Å; F411-I515 HydrophobicContact CD2-CD1 3.39Å; F411-I515 HydrophobicContact CD2-CG1 4.21Å; F411-I515 HydrophobicContact CE2-CD1 4.17Å; F411-I515 HydrophobicContact CG-CD1 3.87Å; F411-Y517 WeakPolarHBondContact O-CE1 3.16Å; F411-Y517 PolarHBondContact O-OH 3.02Å
412	G	92.7	Very high	93	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.103	C	C	.	.			trans	78.2	-177.9	-179.1	0	0	0	0	0	115.1	Y409 G414 Y416 S457	Y409-G412 VanDerWaalsContact CB-O 3.27Å; Y409-G412 WeakPolarHBondContact CB-O 3.33Å; Y409-G412 PolarHBondContact O-N 3.1Å; G412-G414 PolarHBondContact O-N 3.41Å; G412-Y416 PolarHBondContact N-OH 3.32Å; G412-Y416 WeakPolarHBondContact O-CE2 3.22Å; G412-Y416 PolarHBondContact O-OH 3.14Å; G412-S457 WeakPolarHBondContact CA-O 3.48Å; G412-S457 PolarHBondContact N-O 2.82Å
413	K	92.6	Very high	93.3	Very high	23 Å²	23	14.9 Å²	14.9	10%	0.1	8%	0.076	C	C	.	.	S	Bend	trans	-76.3	94.9	-169.6	-63.3	-166.1	-71.3	-171.5	0	111.6	I399 A400 P401 P402 A404 Y409 Y517	I399-K413 HydrophobicContact CG2-CB 4.29Å; I399-K413 WeakPolarHBondContact CG2-O 3.46Å; A400-K413 HydrophobicContact CB-CD 4.15Å; A400-K413 HydrophobicContact CB-CG 4.42Å; P401-K413 PolarHBondContact O-NZ 3.13Å; P402-K413 VanDerWaalsContact C-NZ 3.27Å; P402-K413 PolarHBondContact O-NZ 3.4Å; A404-K413 HydrophobicContact CB-CD 4.22Å; A404-K413 WeakPolarHBondContact O-CD 3.11Å; A404-K413 PolarHBondContact O-NZ 3.03Å; Y409-K413 HydrophobicContact CD2-CD 4.5Å; Y409-K413 HydrophobicContact CD2-CG 3.68Å; Y409-K413 HydrophobicContact CE2-CD 4.25Å; Y409-K413 HydrophobicContact CE2-CG 3.83Å; Y409-K413 HydrophobicContact CG-CG 4.45Å; K413-Y517 WeakPolarHBondContact O-CD1 3.41Å
414	G	95	Very high	93.6	Very high	8 Å²	8	12.2 Å²	12.2	8%	0.082	6%	0.064	C	C	.	.	S	Bend	trans	-148.9	-175.9	175	0	0	0	0	0	110.2	G412 Y416 V516	G412-G414 PolarHBondContact O-N 3.41Å; G414-Y416 VanDerWaalsContact O-CD2 3.32Å; G414-Y416 WeakPolarHBondContact O-CD2 3.3Å; G414-Y416 WeakPolarHBondContact O-CE2 3.4Å; G414-V516 CarbonylContact C-O 3.59Å; G414-V516 VanDerWaalsContact CA-O 3.24Å; G414-V516 WeakPolarHBondContact CA-O 3.23Å
415	V	97.2	Very high	93.9	Very high	6 Å²	6	12.2 Å²	12.2	4%	0.036	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	126.2	174.5	-172.1	0	0	0	0	108.9	L397 I399 F417 I515 V516 I522	L397-V415 HydrophobicContact CB-CG1 3.96Å; L397-V415 HydrophobicContact CB-CG2 4.41Å; L397-V415 HydrophobicContact CD1-CG1 3.93Å; L397-V415 HydrophobicContact CG-CG1 4.36Å; I399-V415 HydrophobicContact CG1-CG2 3.86Å; V415-F417 HydrophobicContact CB-CE2 3.86Å; V415-F417 HydrophobicContact CB-CZ 4.28Å; V415-F417 HydrophobicContact CG1-CD2 4.35Å; V415-F417 HydrophobicContact CG1-CE1 4.33Å; V415-F417 HydrophobicContact CG1-CE2 3.5Å; V415-F417 HydrophobicContact CG1-CZ 3.5Å; V415-F417 VanDerWaalsContact CG1-CZ 3.5Å; V415-I515 WeakPolarHBondContact O-CA 3.48Å; V415-V516 HydrophobicContact CB-CG2 4.25Å; V415-V516 PolarHBondContact N-O 3.24Å; V415-V516 PolarHBondContact O-N 2.84Å; V415-I522 HydrophobicContact CB-CD1 3.71Å; V415-I522 HydrophobicContact CG1-CD1 3.9Å; V415-I522 HydrophobicContact CG2-CD1 3.65Å
416	Y	97.6	Very high	94	Very high	39 Å²	39	14.4 Å²	14.4	15%	0.153	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	132.2	-174.1	-72.7	-115.3	0	0	0	110.7	H382 Y409 M410 F411 G412 G414 E513 I515	H382-Y416 PolarHBondContact ND1-O 3.2Å; Y409-Y416 WeakPolarHBondContact CB-OH 3.35Å; Y409-Y416 HydrophobicContact CD1-CE2 4.07Å; M410-Y416 PolarHBondContact N-OH 3.23Å; F411-Y416 VanDerWaalsContact C-OH 3.3Å; F411-Y416 WeakPolarHBondContact CA-OH 3.36Å; F411-Y416 AromaticContact CD2-CE1 3.97Å; F411-Y416 HydrophobicContact CD2-CE1 3.97Å; F411-Y416 PolarHBondContact N-OH 2.87Å; G412-Y416 PolarHBondContact N-OH 3.32Å; G412-Y416 WeakPolarHBondContact O-CE2 3.22Å; G412-Y416 PolarHBondContact O-OH 3.14Å; G414-Y416 VanDerWaalsContact O-CD2 3.32Å; G414-Y416 WeakPolarHBondContact O-CD2 3.3Å; G414-Y416 WeakPolarHBondContact O-CE2 3.4Å; Y416-E513 WeakPolarHBondContact CD1-OE2 3.47Å; Y416-I515 HydrophobicContact CD1-CD1 4.22Å; Y416-I515 HydrophobicContact CD1-CG1 3.56Å; Y416-I515 HydrophobicContact CD2-CG1 4.26Å; Y416-I515 HydrophobicContact CD2-CG2 4.27Å; Y416-I515 HydrophobicContact CE1-CD1 4.14Å; Y416-I515 HydrophobicContact CE1-CG1 3.56Å; Y416-I515 HydrophobicContact CE2-CG1 4.21Å; Y416-I515 HydrophobicContact CE2-CG2 4.01Å; Y416-I515 HydrophobicContact CG-CG1 3.92Å
417	F	98.7	Very high	94.4	Very high	3 Å²	3	16.8 Å²	16.8	1%	0.013	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	162.8	175.8	-58.2	-87.3	0	0	0	110.5	L380 W381 H382 L397 V415 C442 V444 E513 Y514 V516 I522	L380-F417 HydrophobicContact CB-CB 3.64Å; L380-F417 HydrophobicContact CB-CD1 4.24Å; L380-F417 HydrophobicContact CB-CG 4.17Å; L380-F417 HydrophobicContact CD1-CB 3.87Å; L380-F417 HydrophobicContact CD1-CG 4.44Å; L380-F417 HydrophobicContact CG-CB 4.43Å; W381-F417 WeakPolarHBondContact O-CA 3.38Å; H382-F417 HydrophobicContact CB-CD1 3.84Å; H382-F417 HydrophobicContact CB-CE1 3.94Å; L397-F417 HydrophobicContact CD1-CE1 3.72Å; L397-F417 HydrophobicContact CD1-CZ 3.71Å; V415-F417 HydrophobicContact CB-CE2 3.86Å; V415-F417 HydrophobicContact CB-CZ 4.28Å; V415-F417 HydrophobicContact CG1-CD2 4.35Å; V415-F417 HydrophobicContact CG1-CE1 4.33Å; V415-F417 HydrophobicContact CG1-CE2 3.5Å; V415-F417 HydrophobicContact CG1-CZ 3.5Å; V415-F417 VanDerWaalsContact CG1-CZ 3.5Å; F417-C442 HydrophobicContact CD1-CB 4.27Å; F417-C442 HydrophobicContact CE1-CB 3.56Å; F417-C442 HydrophobicContact CZ-CB 4.24Å; F417-V444 HydrophobicContact CD1-CG2 3.94Å; F417-V444 HydrophobicContact CD2-CG1 4.29Å; F417-V444 HydrophobicContact CD2-CG2 3.89Å; F417-V444 HydrophobicContact CE1-CG2 3.84Å; F417-V444 HydrophobicContact CE2-CG1 4.18Å; F417-V444 HydrophobicContact CE2-CG2 3.76Å; F417-V444 HydrophobicContact CG-CG2 3.98Å; F417-V444 HydrophobicContact CZ-CG2 3.73Å; F417-E513 CarbonylContact O-C 3.54Å; F417-E513 WeakPolarHBondContact O-CA 3.47Å; F417-Y514 PolarHBondContact N-O 3.41Å; F417-Y514 PolarHBondContact O-N 2.82Å; F417-V516 HydrophobicContact CE2-CG2 3.9Å; F417-I522 HydrophobicContact CE1-CG2 4.45Å; F417-I522 HydrophobicContact CE2-CD1 3.94Å; F417-I522 HydrophobicContact CE2-CG1 4.07Å; F417-I522 HydrophobicContact CZ-CD1 3.79Å; F417-I522 HydrophobicContact CZ-CG1 3.89Å; F417-I522 HydrophobicContact CZ-CG2 3.81Å
418	A	98.3	Very high	95	Very high	2 Å²	2	16.6 Å²	16.6	2%	0.017	8%	0.081	C	C	.	.	B	Isolated β-bridge	trans	-135.8	154	172.7	0	0	0	0	0	110.8	W381 C420 K423	W381-A418 WeakPolarHBondContact CB-O 3.4Å; W381-A418 PolarHBondContact N-O 2.99Å; W381-A418 PolarHBondContact O-N 3.26Å; A418-C420 VanDerWaalsContact C-N 3.35Å; A418-K423 HydrophobicContact CB-CB 4.06Å; A418-K423 HydrophobicContact CB-CG 3.75Å
419	D	98.1	Very high	95.4	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.091	C	C	.	.	S	Bend	trans	-88.9	-7.8	166.8	57	10.2	0	0	0	112	T344 L380 P477 P492 N512 Y514	T344-D419 VanDerWaalsContact CB-O 3.28Å; T344-D419 WeakPolarHBondContact CB-O 3.46Å; T344-D419 WeakPolarHBondContact CG2-O 3.48Å; T344-D419 PolarHBondContact OG1-O 2.81Å; L380-D419 HydrophobicContact CD2-CB 4.22Å; D419-P477 HydrophobicContact CB-CG 3.92Å; D419-P477 VanDerWaalsContact CG-CD 3.41Å; D419-P477 WeakPolarHBondContact OD2-CD 3.39Å; D419-P492 HydrophobicContact CB-CB 4.17Å; D419-P492 HydrophobicContact CB-CG 3.75Å; D419-N512 PolarHBondContact OD2-ND2 3.12Å; D419-Y514 HydrophobicContact CB-CE2 3.81Å; D419-Y514 WeakPolarHBondContact OD2-CE2 3.43Å; D419-Y514 PolarHBondContact OD2-OH 2.72Å
420	C	97.8	Very high	95.5	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	9%	0.093	C	C	.	.	S	Bend	trans	-96.3	117.8	171.4	174.3	0	0	0	0	110.5	T344 A418 S422 K423 S424 F511	T344-C420 WeakPolarHBondContact O-CA 3.4Å; T344-C420 PolarHBondContact O-SG 2.97Å; A418-C420 VanDerWaalsContact C-N 3.35Å; C420-S422 PolarHBondContact O-N 2.95Å; C420-K423 HydrophobicContact CB-CB 3.87Å; C420-K423 WeakPolarHBondContact O-CB 3.45Å; C420-K423 PolarHBondContact O-N 3.16Å; C420-S424 PolarHBondContact O-N 3.36Å; C420-F511 HydrophobicContact CB-CB 3.89Å; C420-F511 HydrophobicContact CB-CD1 3.92Å; C420-F511 HydrophobicContact CB-CG 3.89Å
421	S	98.1	Very high	95.5	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-56.5	-52.9	-179	63.9	0	0	0	0	111.9	M341 T344 H345 K423 S424 A425 M439	M341-S421 WeakPolarHBondContact O-CB 3.38Å; M341-S421 PolarHBondContact O-OG 3.48Å; T344-S421 PolarHBondContact O-N 2.95Å; T344-S421 VanDerWaalsContact O-N 3.14Å; T344-S421 PolarHBondContact O-OG 3.42Å; T344-S421 PolarHBondContact OG1-N 2.84Å; T344-S421 VanDerWaalsContact OG1-N 3.16Å; H345-S421 PolarHBondContact N-OG 2.75Å; S421-K423 VanDerWaalsContact C-N 3.27Å; S421-K423 PolarHBondContact O-N 2.89Å; S421-S424 PolarHBondContact O-N 2.92Å; S421-A425 PolarHBondContact O-N 3.34Å; S421-M439 WeakPolarHBondContact O-CE 3.25Å
422	S	97.4	Very high	95.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-70.5	-21.8	-174.2	61.8	0	0	0	0	113.7	G346 H349 Y352 C420 A425 N426	G346-S422 WeakPolarHBondContact CA-OG 3.45Å; G346-S422 PolarHBondContact N-OG 3.46Å; H349-S422 WeakPolarHBondContact ND1-CB 3.41Å; H349-S422 PolarHBondContact ND1-OG 3.06Å; Y352-S422 WeakPolarHBondContact OH-CB 3.47Å; Y352-S422 PolarHBondContact OH-O 3.38Å; C420-S422 PolarHBondContact O-N 2.95Å; S422-A425 PolarHBondContact O-N 2.81Å; S422-N426 PolarHBondContact O-N 2.93Å; S422-N426 VanDerWaalsContact O-N 3.14Å; S422-N426 PolarHBondContact O-ND2 2.7Å
423	K	97	Very high	95.1	Very high	40 Å²	40	30.6 Å²	30.6	17%	0.174	16%	0.16	C	C	.	.	H	α-helix	trans	-60.6	-46.1	168.7	171.1	60.4	177.4	-171.7	0	111.1	A418 C420 S421 Y427 F511 E513	A418-K423 HydrophobicContact CB-CB 4.06Å; A418-K423 HydrophobicContact CB-CG 3.75Å; C420-K423 HydrophobicContact CB-CB 3.87Å; C420-K423 WeakPolarHBondContact O-CB 3.45Å; C420-K423 PolarHBondContact O-N 3.16Å; S421-K423 VanDerWaalsContact C-N 3.27Å; S421-K423 PolarHBondContact O-N 2.89Å; K423-Y427 WeakPolarHBondContact O-CD2 3.47Å; K423-F511 HydrophobicContact CB-CB 4.36Å; K423-F511 HydrophobicContact CB-CD2 4.16Å; K423-F511 HydrophobicContact CB-CG 4.45Å; K423-F511 HydrophobicContact CG-CB 4.44Å; K423-E513 WeakPolarHBondContact CE-OE1 3.25Å; K423-E513 IonicContact NZ-OE1 2.83Å; K423-E513 PolarHBondContact NZ-OE1 3.22Å; K423-E513 IonicContact NZ-OE2 3.71Å
424	S	97.8	Very high	94.9	Very high	6 Å²	6	32.6 Å²	32.6	4%	0.042	17%	0.172	C	C	.	.	H	α-helix	trans	-74	-34.8	174.8	-68.4	0	0	0	0	111.9	W381 G383 C420 S421 N426 Y427	W381-S424 PolarHBondContact O-OG 3.36Å; G383-S424 WeakPolarHBondContact CA-O 3.38Å; C420-S424 PolarHBondContact O-N 3.36Å; S421-S424 PolarHBondContact O-N 2.92Å; S424-N426 VanDerWaalsContact C-N 3.26Å; S424-N426 PolarHBondContact O-N 2.76Å; S424-Y427 WeakPolarHBondContact O-CB 3.23Å; S424-Y427 PolarHBondContact O-N 3.43Å
425	A	97.8	Very high	94.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-60.8	-33	179.8	0	0	0	0	0	113.2	L354 S421 S422 Y427 I428 M439 F532	L354-A425 HydrophobicContact CD1-CB 3.95Å; L354-A425 HydrophobicContact CD2-CB 4.31Å; S421-A425 PolarHBondContact O-N 3.34Å; S422-A425 PolarHBondContact O-N 2.81Å; A425-Y427 PolarHBondContact O-N 2.84Å; A425-Y427 VanDerWaalsContact O-N 3.16Å; A425-I428 VanDerWaalsContact O-CB 3.27Å; A425-I428 WeakPolarHBondContact O-CB 3.41Å; A425-I428 WeakPolarHBondContact O-CG1 3.37Å; A425-I428 PolarHBondContact O-N 2.86Å; A425-M439 HydrophobicContact CB-CE 3.89Å; A425-M439 HydrophobicContact CB-SD 3.47Å; A425-M439 WeakPolarHBondContact CB-SD 3.43Å; A425-F532 HydrophobicContact CB-CE1 3.94Å; A425-F532 HydrophobicContact CB-CZ 3.88Å
426	N	95.4	Very high	94.9	Very high	45 Å²	45	36.2 Å²	36.2	24%	0.241	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-60.8	-22.6	175.8	-74.8	-33.7	0	0	0	113.5	H349 W351 Y352 S422 S424 I428	H349-N426 PolarHBondContact CE1-ND2 3.47Å; H349-N426 VanDerWaalsContact CE1-ND2 3.32Å; H349-N426 PolarHBondContact NE2-ND2 3.37Å; W351-N426 WeakPolarHBondContact CZ2-OD1 3.49Å; Y352-N426 PolarHBondContact OH-OD1 3.38Å; Y352-N426 VanDerWaalsContact OH-OD1 3.11Å; S422-N426 PolarHBondContact O-N 2.93Å; S422-N426 VanDerWaalsContact O-N 3.14Å; S422-N426 PolarHBondContact O-ND2 2.7Å; S424-N426 VanDerWaalsContact C-N 3.26Å; S424-N426 PolarHBondContact O-N 2.76Å; N426-I428 VanDerWaalsContact C-N 3.26Å; N426-I428 PolarHBondContact O-N 3.1Å
427	Y	94.3	Very high	94.8	Very high	64 Å²	64	34.4 Å²	34.4	25%	0.251	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-81.4	-1.6	176.1	-71.4	-85.5	0	0	0	113.8	K283 G383 S384 R385 K423 S424 A425 Y429	K283-Y427 PolarHBondContact NZ-OH 2.75Å; G383-Y427 VanDerWaalsContact O-CB 3.27Å; G383-Y427 WeakPolarHBondContact O-CB 3.37Å; S384-Y427 CarbonylContact C-O 3.32Å; S384-Y427 WeakPolarHBondContact CA-O 3.45Å; R385-Y427 PolarHBondContact N-O 2.93Å; K423-Y427 WeakPolarHBondContact O-CD2 3.47Å; S424-Y427 WeakPolarHBondContact O-CB 3.23Å; S424-Y427 PolarHBondContact O-N 3.43Å; A425-Y427 PolarHBondContact O-N 2.84Å; A425-Y427 VanDerWaalsContact O-N 3.16Å; Y427-Y429 VanDerWaalsContact C-N 3.32Å; Y427-Y429 VanDerWaalsContact O-CD2 3.27Å; Y427-Y429 WeakPolarHBondContact O-CD2 3.25Å
428	I	95.1	Very high	94.8	Very high	10 Å²	10	34.2 Å²	34.2	5%	0.051	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-75.4	-25.4	171.9	-62	174	0	0	0	111.3	A425 N426 L438 M439 V530 F532	A425-I428 VanDerWaalsContact O-CB 3.27Å; A425-I428 WeakPolarHBondContact O-CB 3.41Å; A425-I428 WeakPolarHBondContact O-CG1 3.37Å; A425-I428 PolarHBondContact O-N 2.86Å; N426-I428 VanDerWaalsContact C-N 3.26Å; N426-I428 PolarHBondContact O-N 3.1Å; I428-L438 VanDerWaalsContact CD1-O 3.3Å; I428-L438 WeakPolarHBondContact CD1-O 3.37Å; I428-L438 WeakPolarHBondContact CG1-O 3.34Å; I428-M439 HydrophobicContact CD1-CB 4.5Å; I428-M439 HydrophobicContact CD1-CG 3.16Å; I428-M439 HydrophobicContact CD1-SD 3.84Å; I428-M439 HydrophobicContact CG1-CG 4.09Å; I428-V530 HydrophobicContact CD1-CG2 4.11Å; I428-F532 HydrophobicContact CB-CE2 4.31Å; I428-F532 HydrophobicContact CB-CZ 4.15Å; I428-F532 HydrophobicContact CD1-CE2 3.73Å; I428-F532 HydrophobicContact CD1-CZ 3.58Å; I428-F532 HydrophobicContact CG1-CZ 4.38Å; I428-F532 HydrophobicContact CG2-CE2 4.1Å; I428-F532 HydrophobicContact CG2-CZ 4.44Å
429	Y	90.7	Very high	94.8	Very high	86 Å²	86	34.1 Å²	34.1	34%	0.337	18%	0.182	S	C	.	.			trans	55.7	51.2	-172.2	-64.1	-86	0	0	0	114.1	E287 R385 Y427	E287-Y429 PolarHBondContact OE1-OH 2.9Å; E287-Y429 VanDerWaalsContact OE1-OH 3.08Å; E287-Y429 PolarHBondContact OE2-OH 3.43Å; R385-Y429 HydrophobicContact CG-CD2 3.55Å; R385-Y429 HydrophobicContact CG-CE2 4.27Å; R385-Y429 HydrophobicContact CG-CG 4.36Å; R385-Y429 VanDerWaalsContact CZ-CD2 3.43Å; Y427-Y429 VanDerWaalsContact C-N 3.32Å; Y427-Y429 VanDerWaalsContact O-CD2 3.27Å; Y427-Y429 WeakPolarHBondContact O-CD2 3.25Å
430	P	91.3	Very high	94.8	Very high	20 Å²	20	34.1 Å²	34.1	13%	0.13	18%	0.182	C	C	.	.			trans	-69.7	151.3	177.6	36.2	-39.9	0	0	0	110.8	F532 F534	P430-F532 HydrophobicContact CB-CB 4.14Å; P430-F532 HydrophobicContact CB-CD1 4.05Å; P430-F532 HydrophobicContact CB-CD2 3.48Å; P430-F532 VanDerWaalsContact CB-CD2 3.48Å; P430-F532 HydrophobicContact CB-CE1 4.32Å; P430-F532 HydrophobicContact CB-CE2 3.8Å; P430-F532 HydrophobicContact CB-CG 3.61Å; P430-F532 HydrophobicContact CB-CZ 4.2Å; P430-F532 HydrophobicContact CG-CB 4.38Å; P430-F532 HydrophobicContact CG-CD1 3.48Å; P430-F532 VanDerWaalsContact CG-CD1 3.48Å; P430-F532 HydrophobicContact CG-CD2 3.8Å; P430-F532 HydrophobicContact CG-CE1 3.54Å; P430-F532 HydrophobicContact CG-CE2 3.85Å; P430-F532 HydrophobicContact CG-CG 3.62Å; P430-F532 HydrophobicContact CG-CZ 3.71Å; P430-F534 HydrophobicContact CB-CE2 4.46Å; P430-F534 HydrophobicContact CB-CZ 3.8Å; P430-F534 HydrophobicContact CG-CE1 4.35Å; P430-F534 HydrophobicContact CG-CZ 3.79Å
431	T	89.4	Confident	94.8	Very high	52 Å²	52	34.1 Å²	34.1	32%	0.319	18%	0.182	S	C	.	.			trans	-128.1	165.6	173.1	66.1	0	0	0	0	109.8	A433 N434 N435 F534	T431-A433 PolarHBondContact O-N 3.45Å; T431-N434 PolarHBondContact N-O 3.43Å; T431-N434 CarbonylContact O-C 3.56Å; T431-N434 PolarHBondContact O-N 3.09Å; T431-N434 VanDerWaalsContact O-O 3.09Å; T431-N434 PolarHBondContact OG1-N 2.96Å; T431-N435 WeakPolarHBondContact O-CA 3.3Å; T431-N435 WeakPolarHBondContact O-CB 3.48Å; T431-N435 PolarHBondContact O-N 2.84Å; T431-N435 VanDerWaalsContact O-N 3.15Å; T431-F534 VanDerWaalsContact C-CE2 3.42Å; T431-F534 WeakPolarHBondContact O-CE2 3.21Å
432	Q	88.7	Confident	94.9	Very high	154 Å²	154	34.1 Å²	34.1	72%	0.72	18%	0.182	S	C	*	.	S	Bend	trans	-58	-33.1	175.3	-69.9	-179	-7.7	0	0	112.5	F534	Q432-F534 HydrophobicContact CG-CB 4.42Å; Q432-F534 HydrophobicContact CG-CD2 3.95Å; Q432-F534 HydrophobicContact CG-CG 4.29Å
433	A	87.9	Confident	94.9	Very high	84 Å²	84	34.1 Å²	34.1	69%	0.694	18%	0.182	S	C	*	.	S	Bend	trans	-76.2	-39.3	176.6	0	0	0	0	0	112.5	T431	T431-A433 PolarHBondContact O-N 3.45Å
434	N	89.8	Confident	95	Very high	66 Å²	66	32.2 Å²	32.2	35%	0.353	17%	0.174	S	C	.	.	S	Bend	trans	-121.1	80.1	179.2	-67.4	-31.7	0	0	0	109.4	Q178 T431	Q178-N434 VanDerWaalsContact CD-ND2 3.29Å; Q178-N434 PolarHBondContact NE2-ND2 2.78Å; Q178-N434 PolarHBondContact OE1-ND2 2.65Å; T431-N434 PolarHBondContact N-O 3.43Å; T431-N434 CarbonylContact O-C 3.56Å; T431-N434 PolarHBondContact O-N 3.09Å; T431-N434 VanDerWaalsContact O-O 3.09Å; T431-N434 PolarHBondContact OG1-N 2.96Å
435	N	94.9	Very high	95	Very high	43 Å²	43	32 Å²	32	23%	0.23	17%	0.172	C	C	.	.			trans	-100	8	-172.1	74.3	-21.4	0	0	0	114	T431 K531 F532 F534	T431-N435 WeakPolarHBondContact O-CA 3.3Å; T431-N435 WeakPolarHBondContact O-CB 3.48Å; T431-N435 PolarHBondContact O-N 2.84Å; T431-N435 VanDerWaalsContact O-N 3.15Å; N435-K531 CarbonylContact O-C 3.59Å; N435-K531 WeakPolarHBondContact O-CA 3.4Å; N435-F532 HydrophobicContact CB-CB 4.34Å; N435-F532 WeakPolarHBondContact CB-O 3.49Å; N435-F532 PolarHBondContact ND2-O 3.06Å; N435-F532 VanDerWaalsContact ND2-O 3.08Å; N435-F532 WeakPolarHBondContact O-CD2 3.17Å; N435-F532 PolarHBondContact O-N 3.08Å; N435-F534 HydrophobicContact CB-CD2 4.43Å; N435-F534 HydrophobicContact CB-CE2 3.9Å
436	V	96.1	Very high	95.1	Very high	46 Å²	46	32 Å²	32	28%	0.279	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	134.3	173.9	176	0	0	0	0	109.1	L169 L357 K529 V530 K531	L169-V436 HydrophobicContact CD2-CG1 4.37Å; L357-V436 HydrophobicContact CD1-CG1 4.01Å; L357-V436 HydrophobicContact CD1-CG2 4.05Å; V436-K529 HydrophobicContact CG1-CG 4.09Å; V436-V530 WeakPolarHBondContact CA-O 3.38Å; V436-K531 HydrophobicContact CG2-CB 4.26Å; V436-K531 HydrophobicContact CG2-CG 4.22Å
437	G	96.6	Very high	95.2	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.01	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	-172.1	178.1	0	0	0	0	0	112.7	V530	G437-V530 PolarHBondContact N-O 3.5Å; G437-V530 PolarHBondContact O-N 2.75Å
438	L	98.2	Very high	95.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	140.3	-175.2	-61.6	178.2	0	0	0	110.5	L166 L169 I170 L386 W389 I428 L527 L528 K529	L166-L438 HydrophobicContact CD1-CD1 3.68Å; L166-L438 HydrophobicContact CD1-CD2 3.71Å; L166-L438 HydrophobicContact CD1-CG 4.37Å; L169-L438 HydrophobicContact CD2-CD2 4.33Å; I170-L438 HydrophobicContact CG2-CD1 3.38Å; L386-L438 HydrophobicContact CD1-CD1 3.89Å; L386-L438 HydrophobicContact CD1-CG 4.1Å; W389-L438 HydrophobicContact CB-CD1 4.07Å; W389-L438 HydrophobicContact CD2-CB 3.94Å; W389-L438 HydrophobicContact CD2-CD1 3.98Å; W389-L438 VanDerWaalsContact CE2-CB 3.48Å; W389-L438 HydrophobicContact CG-CB 4.23Å; W389-L438 HydrophobicContact CG-CD1 3.65Å; W389-L438 HydrophobicContact CZ2-CB 3.84Å; W389-L438 WeakPolarHBondContact CZ2-O 3.34Å; I428-L438 VanDerWaalsContact CD1-O 3.3Å; I428-L438 WeakPolarHBondContact CD1-O 3.37Å; I428-L438 WeakPolarHBondContact CG1-O 3.34Å; L438-L527 HydrophobicContact CB-CD1 4.22Å; L438-L527 HydrophobicContact CD1-CD2 4.48Å; L438-L528 WeakPolarHBondContact CA-O 3.47Å; L438-K529 HydrophobicContact CD2-CB 3.72Å; L438-K529 HydrophobicContact CD2-CG 4Å
439	M	97.9	Very high	95.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	155.3	168.7	-62.9	177.4	60.1	0	0	108.7	L354 W381 S421 A425 I428 L528 V530	L354-M439 HydrophobicContact CD1-SD 4.48Å; W381-M439 HydrophobicContact CB-CE 4.44Å; W381-M439 HydrophobicContact CD2-CE 4.31Å; W381-M439 HydrophobicContact CE3-CE 3.85Å; S421-M439 WeakPolarHBondContact O-CE 3.25Å; A425-M439 HydrophobicContact CB-CE 3.89Å; A425-M439 HydrophobicContact CB-SD 3.47Å; A425-M439 WeakPolarHBondContact CB-SD 3.43Å; I428-M439 HydrophobicContact CD1-CB 4.5Å; I428-M439 HydrophobicContact CD1-CG 3.16Å; I428-M439 HydrophobicContact CD1-SD 3.84Å; I428-M439 HydrophobicContact CG1-CG 4.09Å; M439-L528 PolarHBondContact N-O 3.37Å; M439-L528 PolarHBondContact O-N 3.42Å; M439-V530 HydrophobicContact CG-CG2 4.3Å; M439-V530 HydrophobicContact SD-CG2 4.3Å
440	I	98.6	Very high	95.7	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	142.3	176.2	-165.3	150.2	0	0	0	110.4	W381 H382 W389 L524 Y526 L527	W381-I440 CarbonylContact C-O 3.57Å; H382-I440 HydrophobicContact CB-CG2 3.86Å; H382-I440 PolarHBondContact N-O 2.99Å; H382-I440 PolarHBondContact O-N 3.3Å; W389-I440 HydrophobicContact CH2-CB 3.57Å; W389-I440 HydrophobicContact CH2-CG2 3.56Å; W389-I440 HydrophobicContact CZ3-CB 3.74Å; W389-I440 HydrophobicContact CZ3-CD1 4.1Å; W389-I440 HydrophobicContact CZ3-CG2 3.85Å; I440-L524 HydrophobicContact CD1-CB 3.94Å; I440-L524 HydrophobicContact CD1-CD1 4.07Å; I440-L524 HydrophobicContact CD1-CD2 3.79Å; I440-L524 HydrophobicContact CD1-CG 4.12Å; I440-Y526 CarbonylContact C-O 3.5Å; I440-Y526 WeakPolarHBondContact CA-O 3.49Å; I440-Y526 WeakPolarHBondContact CG1-O 3.33Å; I440-L527 HydrophobicContact CB-CD1 4.12Å; I440-L527 HydrophobicContact CD1-CB 4.28Å; I440-L527 HydrophobicContact CD1-CD1 4.14Å; I440-L527 HydrophobicContact CG1-CD1 4.47Å
441	V	98.5	Very high	95.9	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	117.2	163.7	-173.7	0	0	0	0	107	L337 Y340 L379 L380 W381 R525 Y526 L528	L337-V441 HydrophobicContact CD2-CB 4.43Å; L337-V441 HydrophobicContact CD2-CG2 4Å; Y340-V441 HydrophobicContact CE1-CG1 4.29Å; L379-V441 HydrophobicContact CB-CG1 3.52Å; L379-V441 HydrophobicContact CD1-CG1 4.01Å; L379-V441 HydrophobicContact CD2-CG1 4.08Å; L379-V441 HydrophobicContact CG-CG1 4.05Å; L380-V441 WeakPolarHBondContact O-CA 3.48Å; W381-V441 HydrophobicContact CD2-CG2 3.91Å; W381-V441 HydrophobicContact CE3-CG2 3.38Å; W381-V441 HydrophobicContact CH2-CG2 3.44Å; W381-V441 VanDerWaalsContact CH2-CG2 3.44Å; W381-V441 HydrophobicContact CZ2-CG2 3.96Å; W381-V441 HydrophobicContact CZ3-CG2 3.14Å; V441-R525 WeakPolarHBondContact O-CB 3.37Å; V441-R525 PolarHBondContact O-N 2.92Å; V441-Y526 PolarHBondContact N-O 3.08Å; V441-Y526 PolarHBondContact O-N 3.44Å; V441-L528 HydrophobicContact CG2-CD1 4.04Å
442	C	98.7	Very high	96.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	145.8	176.6	-66.2	0	0	0	0	109.8	L379 L380 F417 V444 I522 R523 L524	L379-C442 CarbonylContact C-O 3.54Å; L379-C442 VanDerWaalsContact CA-O 3.31Å; L379-C442 WeakPolarHBondContact CA-O 3.36Å; L380-C442 PolarHBondContact N-O 3.35Å; L380-C442 PolarHBondContact O-N 3.46Å; F417-C442 HydrophobicContact CD1-CB 4.27Å; F417-C442 HydrophobicContact CE1-CB 3.56Å; F417-C442 HydrophobicContact CZ-CB 4.24Å; C442-V444 HydrophobicContact CB-CG2 4.03Å; C442-I522 HydrophobicContact CB-CG2 3.99Å; C442-R523 CarbonylContact C-O 3.59Å; C442-R523 VanDerWaalsContact CA-O 3.27Å; C442-R523 WeakPolarHBondContact CA-O 3.38Å; C442-R523 WeakPolarHBondContact CB-O 3.29Å; C442-L524 WeakPolarHBondContact SG-CD2 3.43Å
443	E	98.5	Very high	96.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	122	161.8	179.6	-177.7	166.8	0	0	109	F371 R377 M378 L379 V489 I522 R523 R525	F371-E443 HydrophobicContact CZ-CG 4.43Å; R377-E443 HydrophobicContact CB-CG 4.49Å; R377-E443 VanDerWaalsContact CD-OE1 3.26Å; R377-E443 WeakPolarHBondContact CD-OE1 3.37Å; R377-E443 IonicContact CZ-OE1 2.91Å; R377-E443 IonicContact NE-OE1 3.96Å; R377-E443 IonicContact NH1-OE1 3.2Å; R377-E443 PolarHBondContact NH1-OE1 3.47Å; M378-E443 WeakPolarHBondContact O-CA 3.33Å; L379-E443 HydrophobicContact CD2-CB 3.95Å; E443-V489 HydrophobicContact CG-CG1 4.17Å; E443-V489 HydrophobicContact CG-CG2 4Å; E443-V489 WeakPolarHBondContact OE1-CG2 3.31Å; E443-I522 CarbonylContact O-C 3.49Å; E443-I522 WeakPolarHBondContact O-CA 3.39Å; E443-R523 HydrophobicContact CB-CB 4.37Å; E443-R523 PolarHBondContact N-O 2.53Å; E443-R523 PolarHBondContact O-N 3.48Å; E443-R523 IonicContact OE1-CZ 2.64Å; E443-R523 IonicContact OE1-NE 3.92Å; E443-R523 IonicContact OE1-NH2 2.82Å; E443-R523 PolarHBondContact OE1-NH2 2.68Å; E443-R523 IonicContact OE2-CZ 2.65Å; E443-R523 IonicContact OE2-NE 2.65Å; E443-R523 PolarHBondContact OE2-NE 3.44Å; E443-R523 IonicContact OE2-NH1 2.78Å; E443-R523 IonicContact OE2-NH2 2.67Å; E443-R523 PolarHBondContact OE2-NH2 3.49Å; E443-R525 HydrophobicContact CB-CG 3.62Å; E443-R525 IonicContact OE2-CZ 3.1Å; E443-R525 IonicContact OE2-NH1 2.82Å; E443-R525 PolarHBondContact OE2-NH1 3.38Å
444	V	98.7	Very high	96.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	119.7	-175.3	-172.5	0	0	0	0	108.6	R377 M378 L380 F417 C442 L446 V516 Q521	R377-V444 WeakPolarHBondContact CA-O 3.49Å; M378-V444 PolarHBondContact N-O 2.91Å; M378-V444 PolarHBondContact O-N 2.62Å; L380-V444 HydrophobicContact CB-CG2 4.34Å; L380-V444 HydrophobicContact CD1-CB 4.06Å; L380-V444 HydrophobicContact CD1-CG2 4.13Å; F417-V444 HydrophobicContact CD1-CG2 3.94Å; F417-V444 HydrophobicContact CD2-CG1 4.29Å; F417-V444 HydrophobicContact CD2-CG2 3.89Å; F417-V444 HydrophobicContact CE1-CG2 3.84Å; F417-V444 HydrophobicContact CE2-CG1 4.18Å; F417-V444 HydrophobicContact CE2-CG2 3.76Å; F417-V444 HydrophobicContact CG-CG2 3.98Å; F417-V444 HydrophobicContact CZ-CG2 3.73Å; C442-V444 HydrophobicContact CB-CG2 4.03Å; V444-L446 HydrophobicContact CB-CD2 4.49Å; V444-L446 HydrophobicContact CG1-CD2 3.77Å; V444-L446 HydrophobicContact CG1-CG 4.28Å; V444-L446 PolarHBondContact O-N 3.21Å; V444-V516 HydrophobicContact CG1-CG1 3.48Å; V444-V516 VanDerWaalsContact CG1-CG1 3.48Å; V444-V516 HydrophobicContact CG1-CG2 4.22Å; V444-Q521 CarbonylContact C-O 3.6Å; V444-Q521 WeakPolarHBondContact CA-O 3.3Å
445	S	98.6	Very high	96.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	101.1	172.3	-170.5	0	0	0	0	109.6	K372 D373 Y374 G375 Q521	K372-S445 WeakPolarHBondContact O-CB 3.44Å; D373-S445 WeakPolarHBondContact CA-OG 3.44Å; D373-S445 PolarHBondContact OD1-OG 3.5Å; Y374-S445 PolarHBondContact N-OG 2.85Å; G375-S445 PolarHBondContact O-OG 2.83Å; S445-Q521 PolarHBondContact N-O 2.88Å; S445-Q521 PolarHBondContact O-NE2 3.27Å
446	L	98.5	Very high	96.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.161	C	C	.	.			trans	-85.7	-24.1	-173.4	-63.2	165.8	0	0	0	112.7	N376 M378 L380 V444 Q449 S468 Y514 V516	N376-L446 HydrophobicContact CB-CB 4.37Å; N376-L446 WeakPolarHBondContact O-CB 3.45Å; N376-L446 PolarHBondContact O-N 3.34Å; N376-L446 VanDerWaalsContact O-N 3.08Å; M378-L446 HydrophobicContact CB-CD1 3.98Å; M378-L446 HydrophobicContact CG-CD1 3.69Å; M378-L446 HydrophobicContact SD-CD1 3.33Å; M378-L446 WeakPolarHBondContact SD-CD1 3.27Å; L380-L446 HydrophobicContact CD1-CD1 4.26Å; L380-L446 HydrophobicContact CD1-CD2 4.21Å; V444-L446 HydrophobicContact CB-CD2 4.49Å; V444-L446 HydrophobicContact CG1-CD2 3.77Å; V444-L446 HydrophobicContact CG1-CG 4.28Å; V444-L446 PolarHBondContact O-N 3.21Å; L446-Q449 HydrophobicContact CB-CG 4.04Å; L446-S468 WeakPolarHBondContact O-CB 3.49Å; L446-S468 PolarHBondContact O-OG 3.43Å; L446-Y514 HydrophobicContact CD1-CD1 3.81Å; L446-Y514 HydrophobicContact CD1-CE1 4.21Å; L446-Y514 HydrophobicContact CD2-CD1 4.08Å; L446-Y514 HydrophobicContact CD2-CG 4.45Å; L446-V516 HydrophobicContact CD2-CG1 4.2Å
447	G	97.8	Very high	96.1	Very high	7 Å²	7	30.7 Å²	30.7	7%	0.072	16%	0.156	C	C	.	.			trans	48.3	-142.9	-171.9	0	0	0	0	0	113	Y374 G375 N376 Q449	Y374-G447 WeakPolarHBondContact O-CA 3.38Å; G375-G447 WeakPolarHBondContact O-CA 3.47Å; G375-G447 PolarHBondContact O-N 2.91Å; N376-G447 PolarHBondContact ND2-O 2.81Å; G447-Q449 WeakPolarHBondContact O-CG 3.45Å; G447-Q449 PolarHBondContact O-N 3.34Å
448	K	97.9	Very high	95.6	Very high	107 Å²	107	35.8 Å²	35.8	47%	0.465	18%	0.175	S	C	.	.	S	Bend	trans	-70	119.4	171	-169	-178.8	173.2	-173.5	0	110.2	D465 Y466 H467	K448-D465 WeakPolarHBondContact CD-O 3.36Å; K448-Y466 HydrophobicContact CB-CD1 4.48Å; K448-Y466 HydrophobicContact CD-CD1 4.22Å; K448-Y466 HydrophobicContact CD-CE1 4.33Å; K448-Y466 HydrophobicContact CG-CD1 3.78Å; K448-Y466 HydrophobicContact CG-CE1 4.04Å; K448-Y466 CarbonylContact O-C 3.58Å; K448-Y466 WeakPolarHBondContact O-CA 3.28Å; K448-H467 PolarHBondContact N-ND1 2.64Å; K448-H467 PolarHBondContact O-N 3.34Å
449	Q	97.2	Very high	95.1	Very high	41 Å²	41	35.8 Å²	35.8	19%	0.192	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	136.3	-173.4	-45.4	-173	-102.7	0	0	112.1	N376 L446 G447 Y466 S468 K470	N376-Q449 PolarHBondContact ND2-OE1 3.1Å; L446-Q449 HydrophobicContact CB-CG 4.04Å; G447-Q449 WeakPolarHBondContact O-CG 3.45Å; G447-Q449 PolarHBondContact O-N 3.34Å; Q449-Y466 VanDerWaalsContact O-CD1 3.25Å; Q449-Y466 WeakPolarHBondContact O-CD1 3.42Å; Q449-Y466 WeakPolarHBondContact O-CE1 3.37Å; Q449-S468 WeakPolarHBondContact CG-OG 3.19Å; Q449-K470 HydrophobicContact CB-CB 4.4Å
450	K	96.8	Very high	94.5	Very high	52 Å²	52	38 Å²	38	23%	0.226	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	110.5	169.9	-170.5	173.7	-173.7	173.9	0	109.2	L452 N462 Y466 S468 V469 K470	K450-L452 HydrophobicContact CG-CD2 4.37Å; K450-N462 PolarHBondContact NZ-O 3.08Å; K450-Y466 HydrophobicContact CB-CD1 3.74Å; K450-Y466 HydrophobicContact CB-CD2 3.83Å; K450-Y466 HydrophobicContact CB-CE1 4.08Å; K450-Y466 HydrophobicContact CB-CE2 4.19Å; K450-Y466 HydrophobicContact CB-CG 3.58Å; K450-Y466 HydrophobicContact CD-CD2 4.01Å; K450-Y466 HydrophobicContact CD-CE2 4.22Å; K450-Y466 HydrophobicContact CG-CD2 4.05Å; K450-Y466 HydrophobicContact CG-CE2 4.05Å; K450-Y466 HydrophobicContact CG-CG 4.31Å; K450-S468 PolarHBondContact N-O 2.71Å; K450-V469 HydrophobicContact CB-CG2 4.13Å; K450-V469 WeakPolarHBondContact O-CA 3.41Å; K450-K470 PolarHBondContact O-N 3.49Å
451	E	95.7	Very high	93.9	Very high	89 Å²	89	44.5 Å²	44.5	42%	0.416	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	129.2	177.1	-62.4	-161.5	145.2	0	0	110.9	K470 V472	E451-K470 WeakPolarHBondContact CA-O 3.37Å; E451-K470 HydrophobicContact CG-CB 4.41Å; E451-K470 HydrophobicContact CG-CD 4.3Å; E451-K470 IonicContact OE1-NZ 3.64Å; E451-K470 PolarHBondContact OE1-NZ 3.33Å; E451-V472 HydrophobicContact CB-CG2 3.89Å; E451-V472 HydrophobicContact CG-CG2 4.27Å
452	L	95.8	Very high	93.1	Very high	31 Å²	31	49.3 Å²	49.3	16%	0.162	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	128.9	178.2	-64.3	179.5	0	0	0	109.8	F411 K450 C456 A459 V469 K470 G471 V472	F411-L452 HydrophobicContact CD1-CB 4.24Å; F411-L452 HydrophobicContact CD1-CD1 3.8Å; F411-L452 HydrophobicContact CE1-CB 3.91Å; F411-L452 HydrophobicContact CE1-CD1 4.3Å; K450-L452 HydrophobicContact CG-CD2 4.37Å; L452-C456 HydrophobicContact CD1-CB 3.88Å; L452-A459 HydrophobicContact CD1-CB 3.87Å; L452-V469 HydrophobicContact CD1-CG1 3.72Å; L452-V469 HydrophobicContact CD1-CG2 4.39Å; L452-V469 HydrophobicContact CG-CG1 4.17Å; L452-K470 PolarHBondContact N-O 3.06Å; L452-G471 WeakPolarHBondContact O-CA 3.41Å; L452-V472 PolarHBondContact O-N 2.93Å
453	Y	95.9	Very high	92.5	Very high	74 Å²	74	50.7 Å²	50.7	29%	0.29	25%	0.247	S	C	.	.	S	Bend	trans	-95	-16.6	179.2	-65.8	-89.3	0	0	0	112.9	V472 E503 K506 I508	Y453-V472 HydrophobicContact CD1-CB 3.93Å; Y453-V472 HydrophobicContact CD1-CG1 4.2Å; Y453-V472 HydrophobicContact CD1-CG2 4.44Å; Y453-V472 HydrophobicContact CE1-CB 3.81Å; Y453-V472 HydrophobicContact CE1-CG1 3.71Å; Y453-V472 HydrophobicContact CE1-CG2 4.08Å; Y453-E503 HydrophobicContact CE1-CG 3.77Å; Y453-K506 HydrophobicContact CD1-CB 3.98Å; Y453-K506 HydrophobicContact CG-CB 4.24Å; Y453-K506 VanDerWaalsContact O-O 3.08Å; Y453-I508 WeakPolarHBondContact O-CG2 3.36Å; Y453-I508 PolarHBondContact O-N 2.99Å
454	Q	94	Very high	91.9	Very high	106 Å²	106	55.7 Å²	55.7	50%	0.495	28%	0.282	S	S	.	.	S	Bend	trans	-126	159.7	-178.3	-64.5	-63.5	-37.8	0	0	109.9	F411 K506	F411-Q454 WeakPolarHBondContact CE1-O 3.48Å; Q454-K506 PolarHBondContact NE2-O 2.88Å
455	S	89	Confident	91.5	Very high	66 Å²	66	61.2 Å²	61.2	46%	0.462	31%	0.312	S	S	.	.			trans	-63	143.3	177.4	58.3	0	0	0	0	111.5
456	C	90.2	Very high	91.4	Very high	46 Å²	46	65 Å²	65	31%	0.311	33%	0.326	S	S	.	.			trans	-149.1	85.5	176.3	-173.3	0	0	0	0	109.6	M410 F411 L452 Y458 A459	M410-C456 CarbonylContact O-C 3.6Å; M410-C456 PolarHBondContact O-N 3.35Å; F411-C456 CarbonylContact C-O 3.42Å; F411-C456 VanDerWaalsContact CA-O 3.26Å; F411-C456 WeakPolarHBondContact CA-O 3.33Å; L452-C456 HydrophobicContact CD1-CB 3.88Å; C456-Y458 PolarHBondContact O-N 2.83Å; C456-A459 HydrophobicContact CB-CB 4.14Å; C456-A459 VanDerWaalsContact O-CB 3.3Å; C456-A459 WeakPolarHBondContact O-CB 3.22Å; C456-A459 PolarHBondContact O-N 3.19Å
457	S	85.2	Confident	91.3	Very high	24 Å²	24	67.9 Å²	67.9	17%	0.168	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-11.4	-176.1	-62	0	0	0	0	115.2	Y409 M410 G412	Y409-S457 WeakPolarHBondContact O-CA 3.46Å; Y409-S457 WeakPolarHBondContact O-CB 3.38Å; Y409-S457 PolarHBondContact O-OG 2.81Å; M410-S457 PolarHBondContact O-N 3.5Å; G412-S457 WeakPolarHBondContact CA-O 3.48Å; G412-S457 PolarHBondContact N-O 2.82Å
458	Y	86.6	Confident	91.3	Very high	108 Å²	108	67.6 Å²	67.6	42%	0.424	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	16.4	174.5	-58.8	-73.1	0	0	0	113.3	T407 C456 H460 K461	T407-Y458 HydrophobicContact CG2-CE2 4.42Å; C456-Y458 PolarHBondContact O-N 2.83Å; Y458-H460 PolarHBondContact O-N 2.92Å; Y458-H460 VanDerWaalsContact O-N 3.15Å; Y458-K461 HydrophobicContact CD1-CD 4.06Å; Y458-K461 WeakPolarHBondContact O-CB 3.1Å; Y458-K461 PolarHBondContact O-N 3.1Å
459	A	86.4	Confident	91.3	Very high	1 Å²	1	62.5 Å²	62.5	1%	0.008	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-55.9	-36.1	-176.8	0	0	0	0	0	113	F411 L452 C456 K461 N462 V469	F411-A459 HydrophobicContact CB-CB 4.44Å; L452-A459 HydrophobicContact CD1-CB 3.87Å; C456-A459 HydrophobicContact CB-CB 4.14Å; C456-A459 VanDerWaalsContact O-CB 3.3Å; C456-A459 WeakPolarHBondContact O-CB 3.22Å; C456-A459 PolarHBondContact O-N 3.19Å; A459-K461 PolarHBondContact O-N 2.95Å; A459-K461 VanDerWaalsContact O-N 3.13Å; A459-N462 CarbonylContact O-C 3.54Å; A459-N462 PolarHBondContact O-N 3.05Å; A459-V469 HydrophobicContact CB-CG2 4.03Å
460	H	86.5	Confident	91.4	Very high	45 Å²	45	61.7 Å²	61.7	21%	0.208	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-55.3	-25.4	173.5	67.4	-79.6	0	0	0	115.1	Y458 Y517	Y458-H460 PolarHBondContact O-N 2.92Å; Y458-H460 VanDerWaalsContact O-N 3.15Å; H460-Y517 HydrophobicContact CB-CD1 3.36Å; H460-Y517 HydrophobicContact CB-CE1 3.42Å; H460-Y517 VanDerWaalsContact CB-CE1 3.42Å; H460-Y517 HydrophobicContact CB-CG 3.99Å
461	K	86	Confident	91.4	Very high	138 Å²	138	59.2 Å²	59.2	60%	0.6	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-83.4	-20.5	179	-61	-173.5	176.9	178	0	113	Y458 A459	Y458-K461 HydrophobicContact CD1-CD 4.06Å; Y458-K461 WeakPolarHBondContact O-CB 3.1Å; Y458-K461 PolarHBondContact O-N 3.1Å; A459-K461 PolarHBondContact O-N 2.95Å; A459-K461 VanDerWaalsContact O-N 3.13Å
462	N	81.5	Confident	91.4	Very high	100 Å²	100	55 Å²	55	54%	0.535	28%	0.28	S	S	.	.			trans	-121.5	51.7	-171	-68	-36.9	0	0	0	111.1	K450 A459	K450-N462 PolarHBondContact NZ-O 3.08Å; A459-N462 CarbonylContact O-C 3.54Å; A459-N462 PolarHBondContact O-N 3.05Å
463	L	86.2	Confident	91.5	Very high	30 Å²	30	53.5 Å²	53.5	16%	0.157	27%	0.272	C	S	.	.			trans	-87.8	-27.8	-179	-67.1	173.9	0	0	0	113.2	D465 Y466 V469 Y517	L463-D465 PolarHBondContact O-N 3.08Å; L463-Y466 WeakPolarHBondContact O-CA 3.26Å; L463-Y466 VanDerWaalsContact O-CB 3.29Å; L463-Y466 WeakPolarHBondContact O-CB 3.45Å; L463-Y466 WeakPolarHBondContact O-CD2 3.31Å; L463-Y466 PolarHBondContact O-N 3.31Å; L463-V469 HydrophobicContact CD2-CG2 3.87Å; L463-Y517 HydrophobicContact CD1-CD2 3.36Å; L463-Y517 HydrophobicContact CD1-CE2 3.93Å; L463-Y517 HydrophobicContact CD1-CG 3.94Å; L463-Y517 HydrophobicContact CD2-CD2 4.02Å; L463-Y517 HydrophobicContact CD2-CE2 3.72Å; L463-Y517 HydrophobicContact CG-CD2 4.28Å; L463-Y517 HydrophobicContact CG-CE2 4.38Å
464	S	84.8	Confident	91.5	Very high	104 Å²	104	52.7 Å²	52.7	73%	0.727	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.7	-109.5	177.7	55	0	0	0	0	112.2
465	D	90.2	Very high	91.6	Very high	117 Å²	117	50.2 Å²	50.2	63%	0.626	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	2.6	179.2	-55.7	-30.1	0	0	0	115	K448 L463	K448-D465 WeakPolarHBondContact CD-O 3.36Å; L463-D465 PolarHBondContact O-N 3.08Å
466	Y	96.8	Very high	91.9	Very high	78 Å²	78	49.5 Å²	49.5	31%	0.306	24%	0.243	S	C	.	.			trans	-98.2	144	-176.5	-62.1	-81	0	0	0	111.3	K448 Q449 K450 L463	K448-Y466 HydrophobicContact CB-CD1 4.48Å; K448-Y466 HydrophobicContact CD-CD1 4.22Å; K448-Y466 HydrophobicContact CD-CE1 4.33Å; K448-Y466 HydrophobicContact CG-CD1 3.78Å; K448-Y466 HydrophobicContact CG-CE1 4.04Å; K448-Y466 CarbonylContact O-C 3.58Å; K448-Y466 WeakPolarHBondContact O-CA 3.28Å; Q449-Y466 VanDerWaalsContact O-CD1 3.25Å; Q449-Y466 WeakPolarHBondContact O-CD1 3.42Å; Q449-Y466 WeakPolarHBondContact O-CE1 3.37Å; K450-Y466 HydrophobicContact CB-CD1 3.74Å; K450-Y466 HydrophobicContact CB-CD2 3.83Å; K450-Y466 HydrophobicContact CB-CE1 4.08Å; K450-Y466 HydrophobicContact CB-CE2 4.19Å; K450-Y466 HydrophobicContact CB-CG 3.58Å; K450-Y466 HydrophobicContact CD-CD2 4.01Å; K450-Y466 HydrophobicContact CD-CE2 4.22Å; K450-Y466 HydrophobicContact CG-CD2 4.05Å; K450-Y466 HydrophobicContact CG-CE2 4.05Å; K450-Y466 HydrophobicContact CG-CG 4.31Å; L463-Y466 WeakPolarHBondContact O-CA 3.26Å; L463-Y466 VanDerWaalsContact O-CB 3.29Å; L463-Y466 WeakPolarHBondContact O-CB 3.45Å; L463-Y466 WeakPolarHBondContact O-CD2 3.31Å; L463-Y466 PolarHBondContact O-N 3.31Å
467	H	97.3	Very high	92.3	Very high	62 Å²	62	47.3 Å²	47.3	29%	0.287	23%	0.228	S	C	.	.	S	Bend	trans	-102.5	-14.9	-178.5	-53.9	86.6	0	0	0	112.3	Y374 K448 Q521	Y374-H467 AromaticContact CD1-CD2 3.23Å; Y374-H467 WeakPolarHBondContact CD1-CD2 3.35Å; Y374-H467 AromaticContact CD1-NE2 3.49Å; Y374-H467 WeakPolarHBondContact CD1-NE2 3.28Å; Y374-H467 HydrophobicContact CD2-CB 4.36Å; Y374-H467 AromaticContact CD2-CD2 3.95Å; Y374-H467 AromaticContact CE1-CD2 3.67Å; Y374-H467 HydrophobicContact CG-CB 4.32Å; Y374-H467 AromaticContact CG-CD2 3.38Å; Y374-H467 AromaticContact CG-CG 3.93Å; Y374-H467 AromaticContact CG-NE2 3.99Å; K448-H467 PolarHBondContact N-ND1 2.64Å; K448-H467 PolarHBondContact O-N 3.34Å; H467-Q521 PolarHBondContact O-NE2 3.15Å; H467-Q521 PolarHBondContact O-OE1 3.43Å
468	S	98	Very high	92.8	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	169.3	179.1	64.6	0	0	0	0	110.9	L446 Q449 K450 I515	L446-S468 WeakPolarHBondContact O-CB 3.49Å; L446-S468 PolarHBondContact O-OG 3.43Å; Q449-S468 WeakPolarHBondContact CG-OG 3.19Å; K450-S468 PolarHBondContact N-O 2.71Å; S468-I515 WeakPolarHBondContact CA-O 3.43Å; S468-I515 VanDerWaalsContact CB-O 3.29Å; S468-I515 WeakPolarHBondContact CB-O 3.43Å
469	V	97.8	Very high	93.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	140.2	170.4	164.7	0	0	0	0	109.2	F411 K450 L452 A459 L463 I515 Y517	F411-V469 HydrophobicContact CB-CG1 4.02Å; F411-V469 HydrophobicContact CD1-CG1 4.03Å; F411-V469 HydrophobicContact CG-CG1 4.03Å; K450-V469 HydrophobicContact CB-CG2 4.13Å; K450-V469 WeakPolarHBondContact O-CA 3.41Å; L452-V469 HydrophobicContact CD1-CG1 3.72Å; L452-V469 HydrophobicContact CD1-CG2 4.39Å; L452-V469 HydrophobicContact CG-CG1 4.17Å; A459-V469 HydrophobicContact CB-CG2 4.03Å; L463-V469 HydrophobicContact CD2-CG2 3.87Å; V469-I515 HydrophobicContact CB-CB 4.41Å; V469-I515 HydrophobicContact CG1-CD1 4.17Å; V469-I515 PolarHBondContact N-O 2.64Å; V469-I515 PolarHBondContact O-N 2.81Å; V469-Y517 HydrophobicContact CB-CE2 4.08Å; V469-Y517 WeakPolarHBondContact CB-OH 3.29Å; V469-Y517 HydrophobicContact CG2-CE2 3.78Å; V469-Y517 WeakPolarHBondContact CG2-OH 3.28Å
470	K	97.7	Very high	93.6	Very high	25 Å²	25	53.8 Å²	53.8	11%	0.109	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	107.8	168.6	178.5	-179.1	167.2	-159.5	0	108.3	Q449 K450 E451 L452 V472 E513 Y514	Q449-K470 HydrophobicContact CB-CB 4.4Å; K450-K470 PolarHBondContact O-N 3.49Å; E451-K470 WeakPolarHBondContact CA-O 3.37Å; E451-K470 HydrophobicContact CG-CB 4.41Å; E451-K470 HydrophobicContact CG-CD 4.3Å; E451-K470 IonicContact OE1-NZ 3.64Å; E451-K470 PolarHBondContact OE1-NZ 3.33Å; L452-K470 PolarHBondContact N-O 3.06Å; K470-V472 HydrophobicContact CG-CG2 4.49Å; K470-V472 PolarHBondContact O-N 2.83Å; K470-E513 CarbonylContact C-O 3.56Å; K470-E513 WeakPolarHBondContact CA-O 3.37Å; K470-Y514 HydrophobicContact CD-CE1 3.95Å; K470-Y514 HydrophobicContact CG-CD1 4.29Å; K470-Y514 HydrophobicContact CG-CE1 4.01Å
471	G	97.2	Very high	94.1	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	112.9	163.7	0	0	0	0	0	108.4	L452 G473 N512 E513	L452-G471 WeakPolarHBondContact O-CA 3.41Å; G471-G473 PolarHBondContact O-N 2.85Å; G471-N512 VanDerWaalsContact O-CA 3.28Å; G471-N512 WeakPolarHBondContact O-CA 3.4Å; G471-E513 PolarHBondContact N-O 2.7Å; G471-E513 PolarHBondContact O-N 3.27Å
472	V	97.4	Very high	94.6	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.26	C	S	.	.			trans	-79.4	123.2	-176	-174.2	0	0	0	0	109.7	E451 L452 Y453 K470 C507	E451-V472 HydrophobicContact CB-CG2 3.89Å; E451-V472 HydrophobicContact CG-CG2 4.27Å; L452-V472 PolarHBondContact O-N 2.93Å; Y453-V472 HydrophobicContact CD1-CB 3.93Å; Y453-V472 HydrophobicContact CD1-CG1 4.2Å; Y453-V472 HydrophobicContact CD1-CG2 4.44Å; Y453-V472 HydrophobicContact CE1-CB 3.81Å; Y453-V472 HydrophobicContact CE1-CG1 3.71Å; Y453-V472 HydrophobicContact CE1-CG2 4.08Å; K470-V472 HydrophobicContact CG-CG2 4.49Å; K470-V472 PolarHBondContact O-N 2.83Å; V472-C507 WeakPolarHBondContact O-CB 3.41Å; V472-C507 PolarHBondContact O-SG 3.04Å
473	G	96.2	Very high	95.4	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	163.3	177.5	0	0	0	0	0	113.5	G471 W475 L509 N512	G471-G473 PolarHBondContact O-N 2.85Å; G473-W475 VanDerWaalsContact C-N 3.29Å; G473-L509 CarbonylContact C-O 3.41Å; G473-L509 WeakPolarHBondContact CA-O 3.37Å; G473-N512 PolarHBondContact N-OD1 3.04Å
474	K	96.5	Very high	95.9	Very high	56 Å²	56	54.5 Å²	54.5	24%	0.243	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	-28.1	170.2	-65.5	-177.2	-171.3	-162.1	0	112.9	Q498 A499 S504 C507 L509 Q510	K474-Q498 WeakPolarHBondContact O-CA 3.43Å; K474-A499 PolarHBondContact O-N 3.05Å; K474-S504 VanDerWaalsContact CE-O 3.23Å; K474-S504 WeakPolarHBondContact CE-O 3.26Å; K474-S504 WeakPolarHBondContact CG-OG 3.43Å; K474-C507 WeakPolarHBondContact CE-O 3.49Å; K474-C507 HydrophobicContact CG-CB 3.74Å; K474-L509 WeakPolarHBondContact CG-O 3.47Å; K474-L509 PolarHBondContact N-O 3.44Å; K474-Q510 PolarHBondContact N-O 2.86Å; K474-Q510 VanDerWaalsContact N-O 3.09Å
475	W	96.5	Very high	96.5	Very high	54 Å²	54	50.8 Å²	50.8	21%	0.205	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	139	-179.2	-62.7	88.9	0	0	0	110.3	V347 G473 L496 I497 Q498 Q510 F511	V347-W475 HydrophobicContact CG1-CZ3 4.38Å; V347-W475 HydrophobicContact CG2-CD2 4Å; V347-W475 HydrophobicContact CG2-CE3 4.31Å; V347-W475 HydrophobicContact CG2-CH2 4.15Å; V347-W475 HydrophobicContact CG2-CZ2 3.82Å; V347-W475 HydrophobicContact CG2-CZ3 4.37Å; G473-W475 VanDerWaalsContact C-N 3.29Å; W475-L496 HydrophobicContact CE3-CB 4.24Å; W475-I497 WeakPolarHBondContact CA-O 3.36Å; W475-Q498 HydrophobicContact CD2-CB 4.32Å; W475-Q498 HydrophobicContact CD2-CG 4.49Å; W475-Q498 HydrophobicContact CE3-CB 4.07Å; W475-Q498 HydrophobicContact CH2-CB 3.96Å; W475-Q498 HydrophobicContact CH2-CG 4.43Å; W475-Q498 HydrophobicContact CZ2-CB 4.21Å; W475-Q498 HydrophobicContact CZ2-CG 4.19Å; W475-Q498 HydrophobicContact CZ3-CB 3.89Å; W475-Q510 WeakPolarHBondContact CB-O 3.32Å; W475-Q510 PolarHBondContact N-O 2.89Å; W475-F511 HydrophobicContact CB-CD1 3.69Å; W475-F511 HydrophobicContact CB-CE1 3.71Å; W475-F511 HydrophobicContact CG-CE1 4.13Å
476	R	95.8	Very high	96.7	Very high	51 Å²	51	53.8 Å²	53.8	19%	0.192	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	150.7	179.6	58.4	-174	170.7	-145.6	-4.9	111	L496 I497 E503 N512	R476-L496 CarbonylContact O-C 3.57Å; R476-L496 WeakPolarHBondContact O-CA 3.28Å; R476-I497 HydrophobicContact CG-CG1 4.21Å; R476-I497 PolarHBondContact N-O 3.45Å; R476-I497 WeakPolarHBondContact O-CG1 3.26Å; R476-I497 PolarHBondContact O-N 2.97Å; R476-E503 IonicContact CZ-OE1 2.64Å; R476-E503 IonicContact CZ-OE2 3.82Å; R476-E503 IonicContact NH1-OE1 2.71Å; R476-E503 PolarHBondContact NH1-OE1 2.97Å; R476-E503 IonicContact NH1-OE2 3.86Å; R476-E503 PolarHBondContact NH1-OE2 3.14Å; R476-E503 IonicContact NH2-OE1 3.64Å; R476-E503 IonicContact NH2-OE2 3.56Å; R476-E503 PolarHBondContact NH2-OE2 2.99Å; R476-N512 VanDerWaalsContact CB-ND2 3.35Å; R476-N512 WeakPolarHBondContact CB-ND2 3.49Å
477	P	96.9	Very high	96.6	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	138.9	171.6	-21.2	33.2	0	0	0	110.5	T344 D419 P479 W482 P492 L496	T344-P477 HydrophobicContact CG2-CB 4.23Å; T344-P477 HydrophobicContact CG2-CG 3.86Å; D419-P477 HydrophobicContact CB-CG 3.92Å; D419-P477 VanDerWaalsContact CG-CD 3.41Å; D419-P477 WeakPolarHBondContact OD2-CD 3.39Å; P477-P479 WeakPolarHBondContact O-CD 3.45Å; P477-P479 VanDerWaalsContact O-N 3.15Å; P477-W482 PolarHBondContact O-NE1 3.5Å; P477-P492 HydrophobicContact CB-CB 4.49Å; P477-P492 WeakPolarHBondContact CB-O 3.23Å; P477-P492 HydrophobicContact CG-CB 4.38Å; P477-P492 VanDerWaalsContact CG-O 3.26Å; P477-P492 WeakPolarHBondContact CG-O 3.47Å; P477-L496 HydrophobicContact CB-CD2 4.47Å; P477-L496 HydrophobicContact CG-CD2 3.91Å
478	N	96.3	Very high	96.6	Very high	32 Å²	32	52.2 Å²	52.2	17%	0.171	27%	0.27	C	S	.	.			trans	-57.3	117.4	179.2	-175.3	2.1	0	0	0	110.8	E480 T481 W482 K495 I497	N478-E480 PolarHBondContact ND2-OE2 2.81Å; N478-E480 PolarHBondContact O-N 2.82Å; N478-E480 VanDerWaalsContact O-N 3.13Å; N478-E480 PolarHBondContact OD1-N 3.04Å; N478-E480 VanDerWaalsContact OD1-N 3.15Å; N478-T481 HydrophobicContact CB-CG2 4.42Å; N478-T481 PolarHBondContact O-N 2.83Å; N478-T481 PolarHBondContact O-OG1 3.04Å; N478-W482 PolarHBondContact O-NE1 2.81Å; N478-K495 PolarHBondContact N-O 2.79Å; N478-K495 VanDerWaalsContact N-O 3.08Å; N478-I497 HydrophobicContact CB-CD1 4.28Å; N478-I497 HydrophobicContact CB-CG1 4.45Å; N478-I497 HydrophobicContact CB-CG2 4.05Å
479	P	95	Very high	96.6	Very high	66 Å²	66	52.2 Å²	52.2	43%	0.429	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-57.1	-27	178.9	-26.6	36.8	0	0	0	114.5	P477 T481 W482	P477-P479 WeakPolarHBondContact O-CD 3.45Å; P477-P479 VanDerWaalsContact O-N 3.15Å; P479-T481 PolarHBondContact O-N 3.21Å; P479-W482 HydrophobicContact CB-CD2 4.46Å; P479-W482 HydrophobicContact CB-CZ2 4.5Å; P479-W482 HydrophobicContact CG-CZ2 4.39Å; P479-W482 WeakPolarHBondContact O-CB 3.5Å; P479-W482 PolarHBondContact O-N 2.77Å
480	E	95.9	Very high	96.6	Very high	171 Å²	171	54 Å²	54	80%	0.799	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-69.3	-20.7	179.3	-60.7	175.1	160.4	0	0	113.2	N478	N478-E480 PolarHBondContact ND2-OE2 2.81Å; N478-E480 PolarHBondContact O-N 2.82Å; N478-E480 VanDerWaalsContact O-N 3.13Å; N478-E480 PolarHBondContact OD1-N 3.04Å; N478-E480 VanDerWaalsContact OD1-N 3.15Å
481	T	96.4	Very high	96.6	Very high	60 Å²	60	52.9 Å²	52.9	37%	0.368	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-103	2.6	-179.1	59.5	0	0	0	0	113	N478 P479 C493 G494	N478-T481 HydrophobicContact CB-CG2 4.42Å; N478-T481 PolarHBondContact O-N 2.83Å; N478-T481 PolarHBondContact O-OG1 3.04Å; P479-T481 PolarHBondContact O-N 3.21Å; T481-C493 CarbonylContact C-O 3.6Å; T481-C493 VanDerWaalsContact C-O 3.26Å; T481-C493 VanDerWaalsContact O-O 3.06Å; T481-C493 PolarHBondContact OG1-O 3.06Å; T481-G494 WeakPolarHBondContact OG1-CA 3.45Å
482	W	97.4	Very high	96.7	Very high	82 Å²	82	52.9 Å²	52.9	31%	0.311	28%	0.275	S	S	.	.			trans	-61.5	142.3	176.3	-69.6	8.3	0	0	0	110.4	M378 P477 N478 P479 I490 P492	M378-W482 HydrophobicContact CE-CH2 4.04Å; M378-W482 HydrophobicContact CE-CZ2 4.43Å; M378-W482 HydrophobicContact CE-CZ3 4.21Å; P477-W482 PolarHBondContact O-NE1 3.5Å; N478-W482 PolarHBondContact O-NE1 2.81Å; P479-W482 HydrophobicContact CB-CD2 4.46Å; P479-W482 HydrophobicContact CB-CZ2 4.5Å; P479-W482 HydrophobicContact CG-CZ2 4.39Å; P479-W482 WeakPolarHBondContact O-CB 3.5Å; P479-W482 PolarHBondContact O-N 2.77Å; W482-I490 HydrophobicContact CB-CG2 4.39Å; W482-I490 HydrophobicContact CD2-CG2 4.24Å; W482-I490 HydrophobicContact CE3-CG2 3.66Å; W482-I490 HydrophobicContact CZ3-CG2 4.29Å; W482-P492 HydrophobicContact CD2-CB 4.13Å; W482-P492 HydrophobicContact CG-CB 4.35Å; W482-P492 HydrophobicContact CZ2-CB 4.08Å
483	K	97.4	Very high	96.5	Very high	89 Å²	89	52.9 Å²	52.9	39%	0.387	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	142.9	-179.9	-68.6	171	178.4	172.5	0	109.1	L336 D339 V491	L336-K483 HydrophobicContact CD1-CD 3.33Å; D339-K483 IonicContact OD2-NZ 3.53Å; K483-V491 PolarHBondContact N-O 2.93Å; K483-V491 PolarHBondContact O-N 3.35Å
484	T	97.5	Very high	96.4	Very high	97 Å²	97	53 Å²	53	60%	0.595	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111	127.1	174.9	-56.5	0	0	0	0	108.9
485	L	96.8	Very high	96.3	Very high	26 Å²	26	58 Å²	58	14%	0.136	30%	0.297	C	S	.	.			trans	-76.2	163.7	176.1	-57.8	-173.5	0	0	0	110.9	M333 L336 L379 D487 G488 V489 V491	M333-L485 HydrophobicContact CE-CD1 3.89Å; M333-L485 HydrophobicContact CE-CD2 3.76Å; L336-L485 HydrophobicContact CD2-CD2 3.71Å; L379-L485 HydrophobicContact CD1-CD1 4.02Å; L485-D487 VanDerWaalsContact CB-OD1 3.24Å; L485-D487 WeakPolarHBondContact CB-OD1 3.47Å; L485-D487 PolarHBondContact O-N 2.73Å; L485-D487 VanDerWaalsContact O-N 3.13Å; L485-G488 PolarHBondContact O-N 3.19Å; L485-V489 HydrophobicContact CB-CB 4.47Å; L485-V489 HydrophobicContact CD1-CB 4.26Å; L485-V489 PolarHBondContact N-O 3.15Å; L485-V491 HydrophobicContact CD1-CG2 4.19Å; L485-V491 HydrophobicContact CD2-CG2 3.94Å; L485-V491 HydrophobicContact CG-CG2 3.91Å
486	N	95.1	Very high	96.3	Very high	181 Å²	181	56.4 Å²	56.4	97%	0.968	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-26	-178.5	-64.8	-10	0	0	0	113.7	G488	N486-G488 VanDerWaalsContact C-N 3.28Å
487	D	94.4	Very high	96.3	Very high	66 Å²	66	57.1 Å²	57.1	35%	0.353	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	5.9	176.5	64.7	-7.1	0	0	0	113	R377 L485 V489 R525	R377-D487 PolarHBondContact NH2-O 3.3Å; L485-D487 VanDerWaalsContact CB-OD1 3.24Å; L485-D487 WeakPolarHBondContact CB-OD1 3.47Å; L485-D487 PolarHBondContact O-N 2.73Å; L485-D487 VanDerWaalsContact O-N 3.13Å; D487-V489 WeakPolarHBondContact OD1-CB 3.27Å; D487-V489 WeakPolarHBondContact OD1-CG2 3.33Å; D487-V489 PolarHBondContact OD1-N 3.15Å; D487-R525 IonicContact OD2-CZ 3.21Å; D487-R525 IonicContact OD2-NH1 3.96Å; D487-R525 PolarHBondContact OD2-NH1 2.78Å; D487-R525 VanDerWaalsContact OD2-NH1 3.1Å; D487-R525 IonicContact OD2-NH2 2.76Å
488	G	96.2	Very high	96.3	Very high	40 Å²	40	62.5 Å²	62.5	41%	0.412	33%	0.325	S	S	.	.	S	Bend	trans	83.6	2.5	179.4	0	0	0	0	0	115	L485 N486	L485-G488 PolarHBondContact O-N 3.19Å; N486-G488 VanDerWaalsContact C-N 3.28Å
489	V	98.1	Very high	96.1	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.319	C	S	.	.			trans	-74.8	133.9	177.1	-178.6	0	0	0	0	110.2	R377 L379 E443 L485 D487	R377-V489 HydrophobicContact CB-CG2 4.15Å; R377-V489 VanDerWaalsContact NH1-CG2 3.26Å; L379-V489 HydrophobicContact CD2-CG1 3.93Å; L379-V489 HydrophobicContact CG-CG1 3.75Å; E443-V489 HydrophobicContact CG-CG1 4.17Å; E443-V489 HydrophobicContact CG-CG2 4Å; E443-V489 WeakPolarHBondContact OE1-CG2 3.31Å; L485-V489 HydrophobicContact CB-CB 4.47Å; L485-V489 HydrophobicContact CD1-CB 4.26Å; L485-V489 PolarHBondContact N-O 3.15Å; D487-V489 WeakPolarHBondContact OD1-CB 3.27Å; D487-V489 WeakPolarHBondContact OD1-CG2 3.33Å; D487-V489 PolarHBondContact OD1-N 3.15Å
490	I	98.4	Very high	96.1	Very high	39 Å²	39	62.1 Å²	62.1	20%	0.2	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	133	179.6	-62.9	169.2	0	0	0	109.9	R377 M378 L379 W482	R377-I490 PolarHBondContact O-N 3.13Å; M378-I490 CarbonylContact C-O 3.57Å; M378-I490 VanDerWaalsContact CA-O 3.26Å; M378-I490 WeakPolarHBondContact CA-O 3.33Å; M378-I490 HydrophobicContact CE-CG2 4.4Å; M378-I490 HydrophobicContact CG-CB 4.19Å; L379-I490 PolarHBondContact N-O 3.38Å; W482-I490 HydrophobicContact CB-CG2 4.39Å; W482-I490 HydrophobicContact CD2-CG2 4.24Å; W482-I490 HydrophobicContact CE3-CG2 3.66Å; W482-I490 HydrophobicContact CZ3-CG2 4.29Å
491	V	98.4	Very high	95.9	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	110.8	168.8	-169.5	0	0	0	0	107.4	L336 Y340 L379 K483 L485 C493	L336-V491 HydrophobicContact CD1-CG1 4.42Å; L336-V491 HydrophobicContact CD2-CG2 4.15Å; Y340-V491 HydrophobicContact CD1-CG1 3.68Å; Y340-V491 HydrophobicContact CD2-CG1 4.4Å; Y340-V491 HydrophobicContact CE1-CG1 3.97Å; Y340-V491 HydrophobicContact CG-CG1 3.92Å; L379-V491 HydrophobicContact CB-CG2 4.21Å; L379-V491 HydrophobicContact CD1-CG2 3.83Å; L379-V491 HydrophobicContact CG-CG2 4.17Å; K483-V491 PolarHBondContact N-O 2.93Å; K483-V491 PolarHBondContact O-N 3.35Å; L485-V491 HydrophobicContact CD1-CG2 4.19Å; L485-V491 HydrophobicContact CD2-CG2 3.94Å; L485-V491 HydrophobicContact CG-CG2 3.91Å; V491-C493 HydrophobicContact CG1-CB 4.18Å; V491-C493 PolarHBondContact O-N 3.43Å
492	P	97.4	Very high	95.7	Very high	0 Å²	0	64 Å²	64	0%	0	33%	0.332	C	S	.	.			trans	-77.1	56.8	179.1	35.6	-37.5	0	0	0	110.8	Y340 M378 L379 L380 D419 P477 W482	Y340-P492 HydrophobicContact CE2-CG 3.94Å; Y340-P492 VanDerWaalsContact CE2-O 3.31Å; Y340-P492 WeakPolarHBondContact CE2-O 3.28Å; Y340-P492 WeakPolarHBondContact OH-CD 3.25Å; Y340-P492 WeakPolarHBondContact OH-CG 3.28Å; M378-P492 HydrophobicContact CE-CB 3.61Å; M378-P492 HydrophobicContact CE-CG 3.61Å; L379-P492 WeakPolarHBondContact O-CD 3.32Å; L380-P492 HydrophobicContact CD2-CG 4.2Å; D419-P492 HydrophobicContact CB-CB 4.17Å; D419-P492 HydrophobicContact CB-CG 3.75Å; P477-P492 HydrophobicContact CB-CB 4.49Å; P477-P492 WeakPolarHBondContact CB-O 3.23Å; P477-P492 HydrophobicContact CG-CB 4.38Å; P477-P492 VanDerWaalsContact CG-O 3.26Å; P477-P492 WeakPolarHBondContact CG-O 3.47Å; W482-P492 HydrophobicContact CD2-CB 4.13Å; W482-P492 HydrophobicContact CG-CB 4.35Å; W482-P492 HydrophobicContact CZ2-CB 4.08Å
493	C	93.9	Very high	95.6	Very high	1 Å²	1	61.8 Å²	61.8	1%	0.007	33%	0.325	C	S	.	.			trans	-77.7	145.3	176.4	-164.5	0	0	0	0	109.8	Y340 E343 T481 V491	Y340-C493 WeakPolarHBondContact CA-SG 3.45Å; Y340-C493 HydrophobicContact CD2-CB 4.23Å; Y340-C493 PolarHBondContact N-SG 2.9Å; E343-C493 PolarHBondContact OE2-SG 2.78Å; T481-C493 CarbonylContact C-O 3.6Å; T481-C493 VanDerWaalsContact C-O 3.26Å; T481-C493 VanDerWaalsContact O-O 3.06Å; T481-C493 PolarHBondContact OG1-O 3.06Å; V491-C493 HydrophobicContact CG1-CB 4.18Å; V491-C493 PolarHBondContact O-N 3.43Å
494	G	93.9	Very high	95.3	Very high	1 Å²	1	58 Å²	58	1%	0.01	31%	0.31	C	S	.	.	S	Bend	trans	142.6	155.3	-178.4	0	0	0	0	0	113.7	E343 T481 L496	E343-G494 VanDerWaalsContact OE2-CA 3.23Å; E343-G494 WeakPolarHBondContact OE2-CA 3.23Å; E343-G494 PolarHBondContact OE2-N 3Å; T481-G494 WeakPolarHBondContact OG1-CA 3.45Å; G494-L496 PolarHBondContact O-N 3.19Å
495	K	95.5	Very high	95.1	Very high	161 Å²	161	60 Å²	60	70%	0.7	31%	0.312	S	S	*	.			trans	-58.4	140.4	171.4	-67.8	-175.2	-179.7	178.2	0	110.4	N478 I497	N478-K495 PolarHBondContact N-O 2.79Å; N478-K495 VanDerWaalsContact N-O 3.08Å; K495-I497 PolarHBondContact O-N 3.37Å
496	L	96.6	Very high	95	Very high	22 Å²	22	64.1 Å²	64.1	12%	0.115	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	128.9	176	-59.9	177.9	0	0	0	110.5	W475 R476 P477 G494 F511	W475-L496 HydrophobicContact CE3-CB 4.24Å; R476-L496 CarbonylContact O-C 3.57Å; R476-L496 WeakPolarHBondContact O-CA 3.28Å; P477-L496 HydrophobicContact CB-CD2 4.47Å; P477-L496 HydrophobicContact CG-CD2 3.91Å; G494-L496 PolarHBondContact O-N 3.19Å; L496-F511 HydrophobicContact CD1-CD1 4.16Å; L496-F511 HydrophobicContact CD1-CE1 3.76Å
497	I	96.1	Very high	94.9	Very high	66 Å²	66	55.8 Å²	55.8	34%	0.338	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	148.6	171.7	59.2	169.4	0	0	0	109.5	W475 R476 N478 K495	W475-I497 WeakPolarHBondContact CA-O 3.36Å; R476-I497 HydrophobicContact CG-CG1 4.21Å; R476-I497 PolarHBondContact N-O 3.45Å; R476-I497 WeakPolarHBondContact O-CG1 3.26Å; R476-I497 PolarHBondContact O-N 2.97Å; N478-I497 HydrophobicContact CB-CD1 4.28Å; N478-I497 HydrophobicContact CB-CG1 4.45Å; N478-I497 HydrophobicContact CB-CG2 4.05Å; K495-I497 PolarHBondContact O-N 3.37Å
498	Q	95.5	Very high	94.9	Very high	113 Å²	113	56.4 Å²	56.4	53%	0.528	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	137.1	174.7	-164.4	174.9	-1.3	0	0	109.9	K474 W475	K474-Q498 WeakPolarHBondContact O-CA 3.43Å; W475-Q498 HydrophobicContact CD2-CB 4.32Å; W475-Q498 HydrophobicContact CD2-CG 4.49Å; W475-Q498 HydrophobicContact CE3-CB 4.07Å; W475-Q498 HydrophobicContact CH2-CB 3.96Å; W475-Q498 HydrophobicContact CH2-CG 4.43Å; W475-Q498 HydrophobicContact CZ2-CB 4.21Å; W475-Q498 HydrophobicContact CZ2-CG 4.19Å; W475-Q498 HydrophobicContact CZ3-CB 3.89Å
499	A	93.3	Very high	94.9	Very high	5 Å²	5	54.9 Å²	54.9	4%	0.041	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-61.7	151.8	171.2	0	0	0	0	0	110.8	K474 E503	K474-A499 PolarHBondContact O-N 3.05Å; A499-E503 HydrophobicContact CB-CB 4.21Å; A499-E503 HydrophobicContact CB-CG 4.25Å
500	P	93.9	Very high	94.7	Very high	84 Å²	84	58.7 Å²	58.7	55%	0.545	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-49.7	145	172.7	-25.7	34.2	0	0	0	111.4	I502 E503 S504	P500-I502 VanDerWaalsContact C-N 3.28Å; P500-I502 PolarHBondContact O-N 3.01Å; P500-I502 VanDerWaalsContact O-N 3.12Å; P500-E503 WeakPolarHBondContact CD-OE2 3.31Å; P500-E503 WeakPolarHBondContact O-CA 3.36Å; P500-E503 WeakPolarHBondContact O-CB 3.48Å; P500-E503 PolarHBondContact O-N 3.39Å; P500-S504 PolarHBondContact O-N 3.32Å
501	Q	92.3	Very high	94.7	Very high	144 Å²	144	57 Å²	57	67%	0.673	28%	0.279	S	S	*	.	H	α-helix	trans	-53.3	-42.6	-169.2	-176.6	152.2	-4.6	0	0	113.8	E503 S504 E505	Q501-E503 VanDerWaalsContact C-N 3.3Å; Q501-E503 PolarHBondContact O-N 3.37Å; Q501-S504 PolarHBondContact O-N 3.07Å; Q501-E505 HydrophobicContact CG-CG 4.46Å; Q501-E505 VanDerWaalsContact CG-OE1 3.31Å; Q501-E505 WeakPolarHBondContact CG-OE1 3.29Å; Q501-E505 PolarHBondContact NE2-OE1 2.82Å; Q501-E505 WeakPolarHBondContact O-CG 3.46Å; Q501-E505 PolarHBondContact O-N 3.18Å
502	I	92.7	Very high	94.6	Very high	128 Å²	128	57.1 Å²	57.1	66%	0.656	28%	0.28	S	S	*	.	H	α-helix	trans	-62	-34.4	177.6	-60.9	170.1	0	0	0	112.4	P500 K506	P500-I502 VanDerWaalsContact C-N 3.28Å; P500-I502 PolarHBondContact O-N 3.01Å; P500-I502 VanDerWaalsContact O-N 3.12Å; I502-K506 WeakPolarHBondContact O-CE 3.5Å; I502-K506 WeakPolarHBondContact O-CG 3.45Å
503	E	93.5	Very high	94.7	Very high	35 Å²	35	57.5 Å²	57.5	16%	0.164	28%	0.281	C	S	.	.	H	α-helix	trans	-75.7	-45.9	174.8	-170	-176	177.4	0	0	109.8	Y453 R476 A499 P500 Q501 E505 K506 C507	Y453-E503 HydrophobicContact CE1-CG 3.77Å; R476-E503 IonicContact CZ-OE1 2.64Å; R476-E503 IonicContact CZ-OE2 3.82Å; R476-E503 IonicContact NH1-OE1 2.71Å; R476-E503 PolarHBondContact NH1-OE1 2.97Å; R476-E503 IonicContact NH1-OE2 3.86Å; R476-E503 PolarHBondContact NH1-OE2 3.14Å; R476-E503 IonicContact NH2-OE1 3.64Å; R476-E503 IonicContact NH2-OE2 3.56Å; R476-E503 PolarHBondContact NH2-OE2 2.99Å; A499-E503 HydrophobicContact CB-CB 4.21Å; A499-E503 HydrophobicContact CB-CG 4.25Å; P500-E503 WeakPolarHBondContact CD-OE2 3.31Å; P500-E503 WeakPolarHBondContact O-CA 3.36Å; P500-E503 WeakPolarHBondContact O-CB 3.48Å; P500-E503 PolarHBondContact O-N 3.39Å; Q501-E503 VanDerWaalsContact C-N 3.3Å; Q501-E503 PolarHBondContact O-N 3.37Å; E503-E505 VanDerWaalsContact C-N 3.29Å; E503-E505 PolarHBondContact O-N 3.49Å; E503-K506 WeakPolarHBondContact O-CB 3.27Å; E503-K506 PolarHBondContact O-N 3.22Å; E503-C507 PolarHBondContact O-N 3.32Å; E503-C507 PolarHBondContact O-SG 2.95Å
504	S	91.5	Very high	94.9	Very high	9 Å²	9	57.6 Å²	57.6	6%	0.063	28%	0.281	C	S	.	.	H	α-helix	trans	-58.4	-37	-178.7	-161	0	0	0	0	113.3	K474 P500 Q501 K506 C507	K474-S504 VanDerWaalsContact CE-O 3.23Å; K474-S504 WeakPolarHBondContact CE-O 3.26Å; K474-S504 WeakPolarHBondContact CG-OG 3.43Å; P500-S504 PolarHBondContact O-N 3.32Å; Q501-S504 PolarHBondContact O-N 3.07Å; S504-K506 VanDerWaalsContact C-N 3.27Å; S504-K506 PolarHBondContact O-N 3.07Å; S504-C507 PolarHBondContact O-N 3.27Å
505	E	93.9	Very high	95.1	Very high	138 Å²	138	57.5 Å²	57.5	65%	0.645	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-24.8	177.2	-74.8	170.2	-172.5	0	0	113.2	Q501 E503	Q501-E505 HydrophobicContact CG-CG 4.46Å; Q501-E505 VanDerWaalsContact CG-OE1 3.31Å; Q501-E505 WeakPolarHBondContact CG-OE1 3.29Å; Q501-E505 PolarHBondContact NE2-OE1 2.82Å; Q501-E505 WeakPolarHBondContact O-CG 3.46Å; Q501-E505 PolarHBondContact O-N 3.18Å; E503-E505 VanDerWaalsContact C-N 3.29Å; E503-E505 PolarHBondContact O-N 3.49Å
506	K	93.8	Very high	95.2	Very high	114 Å²	114	49.9 Å²	49.9	50%	0.496	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-24.1	176.5	-62	172.7	-173.5	177.7	0	112.6	Y453 Q454 I502 E503 S504	Y453-K506 HydrophobicContact CD1-CB 3.98Å; Y453-K506 HydrophobicContact CG-CB 4.24Å; Y453-K506 VanDerWaalsContact O-O 3.08Å; Q454-K506 PolarHBondContact NE2-O 2.88Å; I502-K506 WeakPolarHBondContact O-CE 3.5Å; I502-K506 WeakPolarHBondContact O-CG 3.45Å; E503-K506 WeakPolarHBondContact O-CB 3.27Å; E503-K506 PolarHBondContact O-N 3.22Å; S504-K506 VanDerWaalsContact C-N 3.27Å; S504-K506 PolarHBondContact O-N 3.07Å
507	C	94.5	Very high	95.2	Very high	5 Å²	5	50.5 Å²	50.5	3%	0.034	25%	0.249	C	C	.	.			trans	-78.4	121.1	-173	-61.1	0	0	0	0	112	V472 K474 E503 S504 L509	V472-C507 WeakPolarHBondContact O-CB 3.41Å; V472-C507 PolarHBondContact O-SG 3.04Å; K474-C507 WeakPolarHBondContact CE-O 3.49Å; K474-C507 HydrophobicContact CG-CB 3.74Å; E503-C507 PolarHBondContact O-N 3.32Å; E503-C507 PolarHBondContact O-SG 2.95Å; S504-C507 PolarHBondContact O-N 3.27Å; C507-L509 VanDerWaalsContact C-N 3.31Å
508	I	94.1	Very high	95.2	Very high	80 Å²	80	49 Å²	49	41%	0.41	24%	0.243	S	C	.	.	S	Bend	trans	-72.6	-26.9	166.8	-166.1	170.7	0	0	0	112.2	M410 Y453	M410-I508 HydrophobicContact SD-CG2 4.33Å; Y453-I508 WeakPolarHBondContact O-CG2 3.36Å; Y453-I508 PolarHBondContact O-N 2.99Å
509	L	94.8	Very high	95.3	Very high	8 Å²	8	46.6 Å²	46.6	4%	0.042	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	144.8	-176.4	-69.7	177.5	0	0	0	112.7	M410 F411 G473 K474 C507 F511 E513	M410-L509 HydrophobicContact CE-CD2 3.99Å; M410-L509 HydrophobicContact SD-CD2 3.45Å; M410-L509 WeakPolarHBondContact SD-CD2 3.46Å; M410-L509 HydrophobicContact SD-CG 4.09Å; F411-L509 HydrophobicContact CE2-CD1 3.79Å; F411-L509 HydrophobicContact CZ-CD1 3.74Å; F411-L509 HydrophobicContact CZ-CG 4.37Å; G473-L509 CarbonylContact C-O 3.41Å; G473-L509 WeakPolarHBondContact CA-O 3.37Å; K474-L509 WeakPolarHBondContact CG-O 3.47Å; K474-L509 PolarHBondContact N-O 3.44Å; C507-L509 VanDerWaalsContact C-N 3.31Å; L509-F511 WeakPolarHBondContact CB-O 3.22Å; L509-E513 HydrophobicContact CD1-CB 4.18Å; L509-E513 HydrophobicContact CD1-CG 4.11Å; L509-E513 WeakPolarHBondContact CD2-OE1 3.29Å
510	Q	95.3	Very high	95.5	Very high	80 Å²	80	48 Å²	48	37%	0.374	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	-39.4	169.2	-67.7	-62.3	-30.6	0	0	112.4	K474 W475	K474-Q510 PolarHBondContact N-O 2.86Å; K474-Q510 VanDerWaalsContact N-O 3.09Å; W475-Q510 WeakPolarHBondContact CB-O 3.32Å; W475-Q510 PolarHBondContact N-O 2.89Å
511	F	97	Very high	95.7	Very high	4 Å²	4	44.4 Å²	44.4	2%	0.018	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	157.5	-177.6	-53.1	-74.2	0	0	0	110	G346 T348 H349 C420 K423 W475 L496 L509	G346-F511 VanDerWaalsContact CA-CZ 3.41Å; T348-F511 WeakPolarHBondContact OG1-CZ 3.18Å; H349-F511 AromaticContact CE1-CD2 3.96Å; H349-F511 AromaticContact CE1-CE2 3.38Å; H349-F511 WeakPolarHBondContact CE1-CE2 3.36Å; H349-F511 AromaticContact NE2-CE2 3.72Å; C420-F511 HydrophobicContact CB-CB 3.89Å; C420-F511 HydrophobicContact CB-CD1 3.92Å; C420-F511 HydrophobicContact CB-CG 3.89Å; K423-F511 HydrophobicContact CB-CB 4.36Å; K423-F511 HydrophobicContact CB-CD2 4.16Å; K423-F511 HydrophobicContact CB-CG 4.45Å; K423-F511 HydrophobicContact CG-CB 4.44Å; W475-F511 HydrophobicContact CB-CD1 3.69Å; W475-F511 HydrophobicContact CB-CE1 3.71Å; W475-F511 HydrophobicContact CG-CE1 4.13Å; L496-F511 HydrophobicContact CD1-CD1 4.16Å; L496-F511 HydrophobicContact CD1-CE1 3.76Å; L509-F511 WeakPolarHBondContact CB-O 3.22Å
512	N	97.6	Very high	96	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.011	19%	0.186	C	C	.	.			trans	-63	143.5	177.2	-63.9	-38	0	0	0	111.1	D419 G471 G473 R476 Y514	D419-N512 PolarHBondContact OD2-ND2 3.12Å; G471-N512 VanDerWaalsContact O-CA 3.28Å; G471-N512 WeakPolarHBondContact O-CA 3.4Å; G473-N512 PolarHBondContact N-OD1 3.04Å; R476-N512 VanDerWaalsContact CB-ND2 3.35Å; R476-N512 WeakPolarHBondContact CB-ND2 3.49Å; N512-Y514 HydrophobicContact CB-CD2 4.44Å; N512-Y514 HydrophobicContact CB-CE2 3.65Å; N512-Y514 PolarHBondContact ND2-OH 2.91Å
513	E	98.1	Very high	96.3	Very high	8 Å²	8	33.1 Å²	33.1	4%	0.037	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	133.8	167.3	-65.6	-173.2	-130.3	0	0	108.7	F411 Y416 F417 K423 K470 G471 L509 I515	F411-E513 HydrophobicContact CE2-CB 4.46Å; Y416-E513 WeakPolarHBondContact CD1-OE2 3.47Å; F417-E513 CarbonylContact O-C 3.54Å; F417-E513 WeakPolarHBondContact O-CA 3.47Å; K423-E513 WeakPolarHBondContact CE-OE1 3.25Å; K423-E513 IonicContact NZ-OE1 2.83Å; K423-E513 PolarHBondContact NZ-OE1 3.22Å; K423-E513 IonicContact NZ-OE2 3.71Å; K470-E513 CarbonylContact C-O 3.56Å; K470-E513 WeakPolarHBondContact CA-O 3.37Å; G471-E513 PolarHBondContact N-O 2.7Å; G471-E513 PolarHBondContact O-N 3.27Å; L509-E513 HydrophobicContact CD1-CB 4.18Å; L509-E513 HydrophobicContact CD1-CG 4.11Å; L509-E513 WeakPolarHBondContact CD2-OE1 3.29Å; E513-I515 HydrophobicContact CB-CD1 4.12Å; E513-I515 WeakPolarHBondContact O-CD1 3.12Å
514	Y	98.6	Very high	96.5	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.008	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	126.6	-179.4	-59.7	-97.6	0	0	0	108.4	M378 L380 F417 D419 L446 K470 N512	M378-Y514 HydrophobicContact SD-CE1 4.29Å; L380-Y514 HydrophobicContact CD1-CD1 4.24Å; L380-Y514 HydrophobicContact CD1-CD2 3.95Å; L380-Y514 HydrophobicContact CD1-CG 3.69Å; L380-Y514 HydrophobicContact CD2-CD2 3.98Å; L380-Y514 HydrophobicContact CD2-CE2 4.04Å; L380-Y514 HydrophobicContact CD2-CG 4.43Å; F417-Y514 PolarHBondContact N-O 3.41Å; F417-Y514 PolarHBondContact O-N 2.82Å; D419-Y514 HydrophobicContact CB-CE2 3.81Å; D419-Y514 WeakPolarHBondContact OD2-CE2 3.43Å; D419-Y514 PolarHBondContact OD2-OH 2.72Å; L446-Y514 HydrophobicContact CD1-CD1 3.81Å; L446-Y514 HydrophobicContact CD1-CE1 4.21Å; L446-Y514 HydrophobicContact CD2-CD1 4.08Å; L446-Y514 HydrophobicContact CD2-CG 4.45Å; K470-Y514 HydrophobicContact CD-CE1 3.95Å; K470-Y514 HydrophobicContact CG-CD1 4.29Å; K470-Y514 HydrophobicContact CG-CE1 4.01Å; N512-Y514 HydrophobicContact CB-CD2 4.44Å; N512-Y514 HydrophobicContact CB-CE2 3.65Å; N512-Y514 PolarHBondContact ND2-OH 2.91Å
515	I	98.1	Very high	96.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	122.1	-172.1	-53.2	87.9	0	0	0	109.2	F411 V415 Y416 S468 V469 E513 Y517	F411-I515 HydrophobicContact CB-CD1 3.93Å; F411-I515 HydrophobicContact CB-CG1 4.17Å; F411-I515 HydrophobicContact CD2-CD1 3.39Å; F411-I515 HydrophobicContact CD2-CG1 4.21Å; F411-I515 HydrophobicContact CE2-CD1 4.17Å; F411-I515 HydrophobicContact CG-CD1 3.87Å; V415-I515 WeakPolarHBondContact O-CA 3.48Å; Y416-I515 HydrophobicContact CD1-CD1 4.22Å; Y416-I515 HydrophobicContact CD1-CG1 3.56Å; Y416-I515 HydrophobicContact CD2-CG1 4.26Å; Y416-I515 HydrophobicContact CD2-CG2 4.27Å; Y416-I515 HydrophobicContact CE1-CD1 4.14Å; Y416-I515 HydrophobicContact CE1-CG1 3.56Å; Y416-I515 HydrophobicContact CE2-CG1 4.21Å; Y416-I515 HydrophobicContact CE2-CG2 4.01Å; Y416-I515 HydrophobicContact CG-CG1 3.92Å; S468-I515 WeakPolarHBondContact CA-O 3.43Å; S468-I515 VanDerWaalsContact CB-O 3.29Å; S468-I515 WeakPolarHBondContact CB-O 3.43Å; V469-I515 HydrophobicContact CB-CB 4.41Å; V469-I515 HydrophobicContact CG1-CD1 4.17Å; V469-I515 PolarHBondContact N-O 2.64Å; V469-I515 PolarHBondContact O-N 2.81Å; E513-I515 HydrophobicContact CB-CD1 4.12Å; E513-I515 WeakPolarHBondContact O-CD1 3.12Å; I515-Y517 HydrophobicContact CG2-CD1 4.17Å; I515-Y517 HydrophobicContact CG2-CE1 3.48Å; I515-Y517 VanDerWaalsContact CG2-CE1 3.48Å; I515-Y517 HydrophobicContact CG2-CE2 4.16Å
516	V	98.1	Very high	97	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	147.6	170.5	-63.9	0	0	0	0	110	G414 V415 F417 V444 L446 Q521 I522	G414-V516 CarbonylContact C-O 3.59Å; G414-V516 VanDerWaalsContact CA-O 3.24Å; G414-V516 WeakPolarHBondContact CA-O 3.23Å; V415-V516 HydrophobicContact CB-CG2 4.25Å; V415-V516 PolarHBondContact N-O 3.24Å; V415-V516 PolarHBondContact O-N 2.84Å; F417-V516 HydrophobicContact CE2-CG2 3.9Å; V444-V516 HydrophobicContact CG1-CG1 3.48Å; V444-V516 VanDerWaalsContact CG1-CG1 3.48Å; V444-V516 HydrophobicContact CG1-CG2 4.22Å; L446-V516 HydrophobicContact CD2-CG1 4.2Å; V516-Q521 HydrophobicContact CB-CB 4.27Å; V516-Q521 HydrophobicContact CG1-CB 4.25Å; V516-Q521 HydrophobicContact CG2-CB 4.49Å; V516-I522 HydrophobicContact CG2-CD1 3.67Å; V516-I522 HydrophobicContact CG2-CG1 3.7Å
517	Y	96.6	Very high	97.3	Very high	36 Å²	36	21.4 Å²	21.4	14%	0.141	10%	0.104	C	C	.	.	S	Bend	trans	-115.6	11.7	-173.2	-52.8	-80	0	0	0	112.3	I399 F411 K413 H460 L463 V469 I515	I399-Y517 WeakPolarHBondContact CD1-O 3.48Å; F411-Y517 WeakPolarHBondContact O-CE1 3.16Å; F411-Y517 PolarHBondContact O-OH 3.02Å; K413-Y517 WeakPolarHBondContact O-CD1 3.41Å; H460-Y517 HydrophobicContact CB-CD1 3.36Å; H460-Y517 HydrophobicContact CB-CE1 3.42Å; H460-Y517 VanDerWaalsContact CB-CE1 3.42Å; H460-Y517 HydrophobicContact CB-CG 3.99Å; L463-Y517 HydrophobicContact CD1-CD2 3.36Å; L463-Y517 HydrophobicContact CD1-CE2 3.93Å; L463-Y517 HydrophobicContact CD1-CG 3.94Å; L463-Y517 HydrophobicContact CD2-CD2 4.02Å; L463-Y517 HydrophobicContact CD2-CE2 3.72Å; L463-Y517 HydrophobicContact CG-CD2 4.28Å; L463-Y517 HydrophobicContact CG-CE2 4.38Å; V469-Y517 HydrophobicContact CB-CE2 4.08Å; V469-Y517 WeakPolarHBondContact CB-OH 3.29Å; V469-Y517 HydrophobicContact CG2-CE2 3.78Å; V469-Y517 WeakPolarHBondContact CG2-OH 3.28Å; I515-Y517 HydrophobicContact CG2-CD1 4.17Å; I515-Y517 HydrophobicContact CG2-CE1 3.48Å; I515-Y517 VanDerWaalsContact CG2-CE1 3.48Å; I515-Y517 HydrophobicContact CG2-CE2 4.16Å
518	C	96.3	Very high	97.5	Very high	33 Å²	33	21.2 Å²	21.2	22%	0.223	10%	0.102	C	C	.	.			trans	-133.7	124.5	170.7	-172.8	0	0	0	0	108.8	N520 Q521	C518-N520 PolarHBondContact O-N 3.1Å; C518-Q521 HydrophobicContact CB-CG 4.27Å; C518-Q521 WeakPolarHBondContact O-CB 3.41Å; C518-Q521 PolarHBondContact O-N 2.82Å; C518-Q521 VanDerWaalsContact O-N 3.1Å
519	I	97.3	Very high	97.7	Very high	64 Å²	64	18.6 Å²	18.6	33%	0.328	9%	0.088	S	C	.	.	G	3₁₀ helix	trans	-62.2	-28.5	-179.2	62	179.7	0	0	0	112.2	L397 I399 Q521 I522	L397-I519 WeakPolarHBondContact O-CG2 3.35Å; I399-I519 HydrophobicContact CD1-CG2 4.11Å; I399-I519 HydrophobicContact CG1-CG2 3.91Å; I519-Q521 PolarHBondContact O-N 2.79Å; I519-Q521 VanDerWaalsContact O-N 3.14Å; I519-I522 WeakPolarHBondContact O-CB 3.31Å; I519-I522 PolarHBondContact O-N 3.07Å
520	N	98.1	Very high	97.8	Very high	35 Å²	35	18.2 Å²	18.2	19%	0.187	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-68.8	-8.5	178.1	-63.8	37.7	0	0	0	113.4	E370 F371 K372 C518 I522	E370-N520 VanDerWaalsContact O-CB 3.3Å; E370-N520 WeakPolarHBondContact O-CB 3.47Å; E370-N520 PolarHBondContact O-ND2 3.1Å; F371-N520 CarbonylContact C-O 3.59Å; F371-N520 WeakPolarHBondContact CA-O 3.24Å; F371-N520 VanDerWaalsContact CD2-O 3.25Å; F371-N520 WeakPolarHBondContact CD2-O 3.38Å; K372-N520 HydrophobicContact CB-CB 4.29Å; K372-N520 HydrophobicContact CD-CB 3.96Å; K372-N520 HydrophobicContact CG-CB 3.88Å; K372-N520 PolarHBondContact N-O 3.06Å; C518-N520 PolarHBondContact O-N 3.1Å; N520-I522 PolarHBondContact O-N 2.76Å
521	Q	98.3	Very high	97.9	Very high	8 Å²	8	17.3 Å²	17.3	4%	0.037	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	-81	2	170.2	-70.4	173.1	-101.9	0	0	112.5	F371 Y374 V444 S445 H467 V516 C518 I519	F371-Q521 WeakPolarHBondContact CE2-O 3.16Å; Y374-Q521 HydrophobicContact CD2-CG 3.93Å; Y374-Q521 HydrophobicContact CE2-CG 3.77Å; V444-Q521 CarbonylContact C-O 3.6Å; V444-Q521 WeakPolarHBondContact CA-O 3.3Å; S445-Q521 PolarHBondContact N-O 2.88Å; S445-Q521 PolarHBondContact O-NE2 3.27Å; H467-Q521 PolarHBondContact O-NE2 3.15Å; H467-Q521 PolarHBondContact O-OE1 3.43Å; V516-Q521 HydrophobicContact CB-CB 4.27Å; V516-Q521 HydrophobicContact CG1-CB 4.25Å; V516-Q521 HydrophobicContact CG2-CB 4.49Å; C518-Q521 HydrophobicContact CB-CG 4.27Å; C518-Q521 WeakPolarHBondContact O-CB 3.41Å; C518-Q521 PolarHBondContact O-N 2.82Å; C518-Q521 VanDerWaalsContact O-N 3.1Å; I519-Q521 PolarHBondContact O-N 2.79Å; I519-Q521 VanDerWaalsContact O-N 3.14Å
522	I	98.5	Very high	98	Very high	5 Å²	5	17.1 Å²	17.1	3%	0.026	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	134.9	-170	-52.8	163.6	0	0	0	109.8	L397 V415 F417 C442 E443 V516 I519 N520	L397-I522 HydrophobicContact CB-CD1 4.39Å; L397-I522 HydrophobicContact CD1-CG2 4.13Å; V415-I522 HydrophobicContact CB-CD1 3.71Å; V415-I522 HydrophobicContact CG1-CD1 3.9Å; V415-I522 HydrophobicContact CG2-CD1 3.65Å; F417-I522 HydrophobicContact CE1-CG2 4.45Å; F417-I522 HydrophobicContact CE2-CD1 3.94Å; F417-I522 HydrophobicContact CE2-CG1 4.07Å; F417-I522 HydrophobicContact CZ-CD1 3.79Å; F417-I522 HydrophobicContact CZ-CG1 3.89Å; F417-I522 HydrophobicContact CZ-CG2 3.81Å; C442-I522 HydrophobicContact CB-CG2 3.99Å; E443-I522 CarbonylContact O-C 3.49Å; E443-I522 WeakPolarHBondContact O-CA 3.39Å; V516-I522 HydrophobicContact CG2-CD1 3.67Å; V516-I522 HydrophobicContact CG2-CG1 3.7Å; I519-I522 WeakPolarHBondContact O-CB 3.31Å; I519-I522 PolarHBondContact O-N 3.07Å; N520-I522 PolarHBondContact O-N 2.76Å
523	R	97.8	Very high	97.9	Very high	30 Å²	30	19.3 Å²	19.3	11%	0.113	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	134.3	162.8	-67.3	-174.2	-74	164.1	-5.9	110.3	E367 F371 C442 E443	E367-R523 HydrophobicContact CB-CG 4.17Å; F371-R523 HydrophobicContact CB-CG 4.43Å; F371-R523 HydrophobicContact CD2-CG 3.47Å; F371-R523 VanDerWaalsContact CD2-CG 3.47Å; F371-R523 HydrophobicContact CE2-CG 3.79Å; F371-R523 HydrophobicContact CG-CG 4.02Å; C442-R523 CarbonylContact C-O 3.59Å; C442-R523 VanDerWaalsContact CA-O 3.27Å; C442-R523 WeakPolarHBondContact CA-O 3.38Å; C442-R523 WeakPolarHBondContact CB-O 3.29Å; E443-R523 HydrophobicContact CB-CB 4.37Å; E443-R523 PolarHBondContact N-O 2.53Å; E443-R523 PolarHBondContact O-N 3.48Å; E443-R523 IonicContact OE1-CZ 2.64Å; E443-R523 IonicContact OE1-NE 3.92Å; E443-R523 IonicContact OE1-NH2 2.82Å; E443-R523 PolarHBondContact OE1-NH2 2.68Å; E443-R523 IonicContact OE2-CZ 2.65Å; E443-R523 IonicContact OE2-NE 2.65Å; E443-R523 PolarHBondContact OE2-NE 3.44Å; E443-R523 IonicContact OE2-NH1 2.78Å; E443-R523 IonicContact OE2-NH2 2.67Å; E443-R523 PolarHBondContact OE2-NH2 3.49Å
524	L	98.2	Very high	97.7	Very high	4 Å²	4	20.9 Å²	20.9	2%	0.021	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	133.1	167	-58.3	-167.4	0	0	0	109	C362 E367 I392 L393 L397 I440 C442	C362-L524 HydrophobicContact CB-CB 4.13Å; C362-L524 VanDerWaalsContact O-O 3.11Å; E367-L524 WeakPolarHBondContact OE2-CG 3.41Å; E367-L524 PolarHBondContact OE2-N 3.23Å; I392-L524 HydrophobicContact CG2-CD1 4.31Å; I392-L524 HydrophobicContact CG2-CD2 4.48Å; L393-L524 HydrophobicContact CD2-CD1 4.21Å; L397-L524 HydrophobicContact CD1-CD2 4.28Å; L397-L524 HydrophobicContact CG-CD2 4.39Å; I440-L524 HydrophobicContact CD1-CB 3.94Å; I440-L524 HydrophobicContact CD1-CD1 4.07Å; I440-L524 HydrophobicContact CD1-CD2 3.79Å; I440-L524 HydrophobicContact CD1-CG 4.12Å; C442-L524 WeakPolarHBondContact SG-CD2 3.43Å
525	R	98	Very high	97.2	Very high	33 Å²	33	25.2 Å²	25.2	13%	0.125	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	-58	-179.3	-65.8	-70.4	-61.2	-101.7	-2.4	112.8	E361 C362 L379 V441 E443 D487	E361-R525 CarbonylContact C-O 3.18Å; E361-R525 WeakPolarHBondContact CA-O 3.32Å; C362-R525 PolarHBondContact N-O 2.88Å; L379-R525 HydrophobicContact CD2-CB 4.25Å; L379-R525 HydrophobicContact CD2-CG 3.99Å; V441-R525 WeakPolarHBondContact O-CB 3.37Å; V441-R525 PolarHBondContact O-N 2.92Å; E443-R525 HydrophobicContact CB-CG 3.62Å; E443-R525 IonicContact OE2-CZ 3.1Å; E443-R525 IonicContact OE2-NH1 2.82Å; E443-R525 PolarHBondContact OE2-NH1 3.38Å; D487-R525 IonicContact OD2-CZ 3.21Å; D487-R525 IonicContact OD2-NH1 3.96Å; D487-R525 PolarHBondContact OD2-NH1 2.78Å; D487-R525 VanDerWaalsContact OD2-NH1 3.1Å; D487-R525 IonicContact OD2-NH2 2.76Å
526	Y	98.6	Very high	95.6	Very high	13 Å²	13	37.5 Å²	37.5	5%	0.051	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	112.8	-174.5	-54.2	-75.8	0	0	0	112.2	M333 L337 F360 E361 L379 I440 V441 L528	M333-Y526 HydrophobicContact CE-CE2 4.37Å; M333-Y526 HydrophobicContact CG-CD1 4.3Å; M333-Y526 HydrophobicContact CG-CE1 3.71Å; M333-Y526 HydrophobicContact CG-CE2 4.15Å; M333-Y526 HydrophobicContact SD-CE2 3.9Å; L337-Y526 HydrophobicContact CD1-CD1 3.86Å; L337-Y526 HydrophobicContact CD1-CD2 4.02Å; L337-Y526 HydrophobicContact CD1-CG 3.57Å; L337-Y526 HydrophobicContact CD2-CD2 4.1Å; L337-Y526 HydrophobicContact CD2-CG 4.35Å; F360-Y526 CarbonylContact O-C 3.59Å; F360-Y526 VanDerWaalsContact O-CA 3.22Å; F360-Y526 WeakPolarHBondContact O-CA 3.47Å; E361-Y526 HydrophobicContact CB-CD1 4.24Å; E361-Y526 HydrophobicContact CB-CE1 4.19Å; E361-Y526 HydrophobicContact CG-CD1 4.31Å; E361-Y526 HydrophobicContact CG-CE1 3.93Å; L379-Y526 HydrophobicContact CD1-CD2 4.22Å; L379-Y526 HydrophobicContact CD1-CE2 4.02Å; I440-Y526 CarbonylContact C-O 3.5Å; I440-Y526 WeakPolarHBondContact CA-O 3.49Å; I440-Y526 WeakPolarHBondContact CG1-O 3.33Å; V441-Y526 PolarHBondContact N-O 3.08Å; V441-Y526 PolarHBondContact O-N 3.44Å; Y526-L528 WeakPolarHBondContact O-CD1 3.26Å
527	L	98.6	Very high	95.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	125.8	174.3	-177.1	74.7	0	0	0	109.5	L166 I359 F360 W389 L393 L438 I440	L166-L527 HydrophobicContact CD1-CD2 3.86Å; L166-L527 HydrophobicContact CD2-CD2 3.68Å; L166-L527 HydrophobicContact CG-CD2 4.39Å; I359-L527 CarbonylContact C-O 3.58Å; F360-L527 HydrophobicContact CB-CB 4.34Å; F360-L527 HydrophobicContact CD2-CD2 4.41Å; F360-L527 PolarHBondContact N-O 2.88Å; F360-L527 PolarHBondContact O-N 3.5Å; W389-L527 HydrophobicContact CD2-CD1 4.29Å; W389-L527 HydrophobicContact CE3-CD1 3.59Å; W389-L527 HydrophobicContact CH2-CD1 3.71Å; W389-L527 HydrophobicContact CZ2-CD1 4.4Å; W389-L527 HydrophobicContact CZ3-CD1 3.27Å; L393-L527 HydrophobicContact CD1-CD2 4.33Å; L393-L527 HydrophobicContact CD2-CD2 4.44Å; L438-L527 HydrophobicContact CB-CD1 4.22Å; L438-L527 HydrophobicContact CD1-CD2 4.48Å; I440-L527 HydrophobicContact CB-CD1 4.12Å; I440-L527 HydrophobicContact CD1-CB 4.28Å; I440-L527 HydrophobicContact CD1-CD1 4.14Å; I440-L527 HydrophobicContact CG1-CD1 4.47Å
528	L	98.6	Very high	95.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	127.5	177.3	-70	76.3	0	0	0	109.2	M341 I356 I359 W381 L438 M439 V441 Y526 V530	M341-L528 HydrophobicContact SD-CD2 4.43Å; I356-L528 HydrophobicContact CD1-CD2 3.91Å; I356-L528 HydrophobicContact CG1-CD2 4.26Å; I359-L528 HydrophobicContact CD1-CD2 4.49Å; I359-L528 HydrophobicContact CG1-CG 4.17Å; I359-L528 HydrophobicContact CG2-CG 4.38Å; W381-L528 HydrophobicContact CH2-CD1 4.29Å; W381-L528 HydrophobicContact CH2-CD2 3.75Å; W381-L528 HydrophobicContact CZ3-CD1 3.88Å; W381-L528 HydrophobicContact CZ3-CD2 3.83Å; W381-L528 HydrophobicContact CZ3-CG 4.4Å; L438-L528 WeakPolarHBondContact CA-O 3.47Å; M439-L528 PolarHBondContact N-O 3.37Å; M439-L528 PolarHBondContact O-N 3.42Å; V441-L528 HydrophobicContact CG2-CD1 4.04Å; Y526-L528 WeakPolarHBondContact O-CD1 3.26Å; L528-V530 HydrophobicContact CB-CG1 4.04Å
529	K	98.3	Very high	95.4	Very high	25 Å²	25	39.9 Å²	39.9	11%	0.109	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	119	164.9	-179	-179.3	152.7	-146.4	0	108.2	L169 L357 D358 F360 V436 L438	L169-K529 HydrophobicContact CD2-CD 4.33Å; L357-K529 HydrophobicContact CB-CD 4.4Å; L357-K529 HydrophobicContact CB-CG 4.2Å; L357-K529 WeakPolarHBondContact CB-O 3.49Å; L357-K529 HydrophobicContact CD1-CG 4.27Å; L357-K529 PolarHBondContact N-O 3.25Å; D358-K529 HydrophobicContact CB-CB 4.14Å; D358-K529 HydrophobicContact CB-CD 4.47Å; D358-K529 PolarHBondContact N-O 2.79Å; D358-K529 PolarHBondContact O-N 2.84Å; D358-K529 WeakPolarHBondContact OD2-CD 3.45Å; D358-K529 IonicContact OD2-NZ 3.85Å; D358-K529 PolarHBondContact OD2-NZ 2.7Å; F360-K529 HydrophobicContact CE2-CB 4.41Å; V436-K529 HydrophobicContact CG1-CG 4.09Å; L438-K529 HydrophobicContact CD2-CB 3.72Å; L438-K529 HydrophobicContact CD2-CG 4Å
530	V	98.2	Very high	95.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	150.4	-172.3	-62	0	0	0	0	110.9	M341 L354 E355 I428 V436 G437 M439 L528 F532	M341-V530 HydrophobicContact SD-CG1 3.89Å; L354-V530 HydrophobicContact CD2-CG2 4.43Å; E355-V530 CarbonylContact O-C 3.44Å; E355-V530 VanDerWaalsContact O-CA 3.23Å; E355-V530 WeakPolarHBondContact O-CA 3.4Å; I428-V530 HydrophobicContact CD1-CG2 4.11Å; V436-V530 WeakPolarHBondContact CA-O 3.38Å; G437-V530 PolarHBondContact N-O 3.5Å; G437-V530 PolarHBondContact O-N 2.75Å; M439-V530 HydrophobicContact CG-CG2 4.3Å; M439-V530 HydrophobicContact SD-CG2 4.3Å; L528-V530 HydrophobicContact CB-CG1 4.04Å; V530-F532 HydrophobicContact CG2-CE2 3.92Å; V530-F532 HydrophobicContact CG2-CZ 4.49Å
531	K	97.8	Very high	95.1	Very high	62 Å²	62	38.8 Å²	38.8	27%	0.27	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	132.3	171.5	-179.4	178.4	161.1	-141.1	0	109.7	E355 L357 N435 V436 N533	E355-K531 HydrophobicContact CB-CB 4.28Å; E355-K531 PolarHBondContact N-O 3.13Å; E355-K531 PolarHBondContact O-N 2.9Å; E355-K531 IonicContact OE2-NZ 3.43Å; E355-K531 PolarHBondContact OE2-NZ 3.16Å; L357-K531 HydrophobicContact CD1-CB 4.03Å; L357-K531 HydrophobicContact CD2-CB 4.17Å; L357-K531 HydrophobicContact CG-CB 4.07Å; N435-K531 CarbonylContact O-C 3.59Å; N435-K531 WeakPolarHBondContact O-CA 3.4Å; V436-K531 HydrophobicContact CG2-CB 4.26Å; V436-K531 HydrophobicContact CG2-CG 4.22Å; K531-N533 VanDerWaalsContact CE-OD1 3.27Å; K531-N533 WeakPolarHBondContact CE-OD1 3.43Å; K531-N533 PolarHBondContact NZ-OD1 3.12Å
532	F	97.5	Very high	94.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	115.7	174.5	-68.8	-101.5	0	0	0	109	Y352 L354 A425 I428 P430 N435 V530 F534	Y352-F532 HydrophobicContact CD1-CD1 4.47Å; Y352-F532 AromaticContact CD2-CD1 3.43Å; Y352-F532 HydrophobicContact CD2-CD1 3.43Å; Y352-F532 VanDerWaalsContact CD2-CD1 3.43Å; Y352-F532 AromaticContact CD2-CE1 3.9Å; Y352-F532 HydrophobicContact CD2-CE1 3.9Å; Y352-F532 AromaticContact CE2-CD1 3.58Å; Y352-F532 HydrophobicContact CE2-CD1 3.58Å; Y352-F532 AromaticContact CE2-CE1 3.51Å; Y352-F532 HydrophobicContact CE2-CE1 3.51Å; Y352-F532 AromaticContact CG-CD1 3.92Å; Y352-F532 HydrophobicContact CG-CD1 3.92Å; Y352-F532 AromaticContact CZ-CE1 3.91Å; L354-F532 HydrophobicContact CD2-CD1 3.62Å; L354-F532 HydrophobicContact CD2-CD2 4.29Å; L354-F532 HydrophobicContact CD2-CE1 3.41Å; L354-F532 VanDerWaalsContact CD2-CE1 3.41Å; L354-F532 HydrophobicContact CD2-CE2 4.11Å; L354-F532 HydrophobicContact CD2-CG 4.06Å; L354-F532 HydrophobicContact CD2-CZ 3.68Å; A425-F532 HydrophobicContact CB-CE1 3.94Å; A425-F532 HydrophobicContact CB-CZ 3.88Å; I428-F532 HydrophobicContact CB-CE2 4.31Å; I428-F532 HydrophobicContact CB-CZ 4.15Å; I428-F532 HydrophobicContact CD1-CE2 3.73Å; I428-F532 HydrophobicContact CD1-CZ 3.58Å; I428-F532 HydrophobicContact CG1-CZ 4.38Å; I428-F532 HydrophobicContact CG2-CE2 4.1Å; I428-F532 HydrophobicContact CG2-CZ 4.44Å; P430-F532 HydrophobicContact CB-CB 4.14Å; P430-F532 HydrophobicContact CB-CD1 4.05Å; P430-F532 HydrophobicContact CB-CD2 3.48Å; P430-F532 VanDerWaalsContact CB-CD2 3.48Å; P430-F532 HydrophobicContact CB-CE1 4.32Å; P430-F532 HydrophobicContact CB-CE2 3.8Å; P430-F532 HydrophobicContact CB-CG 3.61Å; P430-F532 HydrophobicContact CB-CZ 4.2Å; P430-F532 HydrophobicContact CG-CB 4.38Å; P430-F532 HydrophobicContact CG-CD1 3.48Å; P430-F532 VanDerWaalsContact CG-CD1 3.48Å; P430-F532 HydrophobicContact CG-CD2 3.8Å; P430-F532 HydrophobicContact CG-CE1 3.54Å; P430-F532 HydrophobicContact CG-CE2 3.85Å; P430-F532 HydrophobicContact CG-CG 3.62Å; P430-F532 HydrophobicContact CG-CZ 3.71Å; N435-F532 HydrophobicContact CB-CB 4.34Å; N435-F532 WeakPolarHBondContact CB-O 3.49Å; N435-F532 PolarHBondContact ND2-O 3.06Å; N435-F532 VanDerWaalsContact ND2-O 3.08Å; N435-F532 WeakPolarHBondContact O-CD2 3.17Å; N435-F532 PolarHBondContact O-N 3.08Å; V530-F532 HydrophobicContact CG2-CE2 3.92Å; V530-F532 HydrophobicContact CG2-CZ 4.49Å; F532-F534 HydrophobicContact CB-CD2 4.42Å; F532-F534 HydrophobicContact CB-CE1 4.28Å; F532-F534 HydrophobicContact CB-CE2 3.8Å; F532-F534 HydrophobicContact CB-CZ 3.74Å; F532-F534 HydrophobicContact CG-CZ 4.35Å
533	N	96.8	Very high	94.6	Very high	48 Å²	48	43.4 Å²	43.4	26%	0.257	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	92.3	173.1	-63.6	-52.1	0	0	0	107.3	Y352 T353 E355 K531	Y352-N533 CarbonylContact C-O 3.56Å; Y352-N533 VanDerWaalsContact CA-O 3.25Å; Y352-N533 WeakPolarHBondContact CA-O 3.19Å; T353-N533 PolarHBondContact N-O 3.38Å; T353-N533 PolarHBondContact O-N 2.77Å; T353-N533 WeakPolarHBondContact OG1-CB 3.43Å; E355-N533 WeakPolarHBondContact CB-ND2 3.47Å; E355-N533 PolarHBondContact OE2-ND2 2.84Å; E355-N533 VanDerWaalsContact OE2-ND2 3.1Å; K531-N533 VanDerWaalsContact CE-OD1 3.27Å; K531-N533 WeakPolarHBondContact CE-OD1 3.43Å; K531-N533 PolarHBondContact NZ-OD1 3.12Å
534	F	94.1	Very high	94.4	Very high	40 Å²	40	44.4 Å²	44.4	18%	0.175	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	138.7	177.7	-61.2	-74	0	0	0	110.6	W351 P430 T431 Q432 N435 F532 Q536	W351-F534 AromaticContact CE3-CD1 3.79Å; W351-F534 HydrophobicContact CE3-CD1 3.79Å; W351-F534 AromaticContact CE3-CE1 3.93Å; W351-F534 HydrophobicContact CE3-CE1 3.93Å; W351-F534 HydrophobicContact CH2-CE1 4.16Å; W351-F534 AromaticContact CZ3-CD1 3.69Å; W351-F534 HydrophobicContact CZ3-CD1 3.69Å; W351-F534 AromaticContact CZ3-CE1 3.33Å; W351-F534 HydrophobicContact CZ3-CE1 3.33Å; P430-F534 HydrophobicContact CB-CE2 4.46Å; P430-F534 HydrophobicContact CB-CZ 3.8Å; P430-F534 HydrophobicContact CG-CE1 4.35Å; P430-F534 HydrophobicContact CG-CZ 3.79Å; T431-F534 VanDerWaalsContact C-CE2 3.42Å; T431-F534 WeakPolarHBondContact O-CE2 3.21Å; Q432-F534 HydrophobicContact CG-CB 4.42Å; Q432-F534 HydrophobicContact CG-CD2 3.95Å; Q432-F534 HydrophobicContact CG-CG 4.29Å; N435-F534 HydrophobicContact CB-CD2 4.43Å; N435-F534 HydrophobicContact CB-CE2 3.9Å; F532-F534 HydrophobicContact CB-CD2 4.42Å; F532-F534 HydrophobicContact CB-CE1 4.28Å; F532-F534 HydrophobicContact CB-CE2 3.8Å; F532-F534 HydrophobicContact CB-CZ 3.74Å; F532-F534 HydrophobicContact CG-CZ 4.35Å; F534-Q536 PolarHBondContact O-N 2.96Å
535	N	86.5	Confident	94.1	Very high	94 Å²	94	47.8 Å²	47.8	50%	0.503	23%	0.225	S	C	.	.			trans	-66.7	132	171.7	-59.2	-7.6	0	0	0	108.3	N350 W351	N350-N535 PolarHBondContact O-ND2 2.83Å; W351-N535 PolarHBondContact O-N 3.13Å
536	Q	66.2	Low	93.7	Very high	258 Å²	258	49.1 Å²	49.1	100%	1.206	23%	0.234	S	C	*	.			trans	-70.3	0	175.2	-71.4	-174.8	7.4	0	0	111.7	F534	F534-Q536 PolarHBondContact O-N 2.96Å

Retrieved 536 of 536 residues in 1347.3 ms (Link to these results)

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