A0A077Z2T9_TRITR Loading...

Adh short domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z2T9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 318 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	42.2	Very low	47.8	Very low	241 Å²	241	149.2 Å²	149.2	100%	1.187	76%	0.76	S	S	*	*				0	114.7	0	-150.4	163.4	92	0	0	107.3	L3	M1-L3 PolarHBondContact O-N 3.09Å
2	K	44.5	Very low	48	Very low	208 Å²	208	153.8 Å²	153.8	90%	0.904	76%	0.761	S	S	*	*			trans	-70.2	120	-174.5	-77.7	177.7	174.7	177.8	0	109.8	V4	K2-V4 PolarHBondContact O-N 3.15Å
3	L	42.6	Very low	48.2	Very low	159 Å²	159	152.2 Å²	152.2	83%	0.832	75%	0.747	S	S	*	*			trans	-73.2	107.6	176.8	-140.3	89.3	0	0	0	108.6	M1 L5	M1-L3 PolarHBondContact O-N 3.09Å; L3-L5 PolarHBondContact O-N 3.19Å
4	V	46	Very low	48.8	Very low	124 Å²	124	147.7 Å²	147.7	75%	0.752	73%	0.727	S	S	*	*			trans	-75.5	106.9	173.6	176.6	0	0	0	0	107.7	K2 R6	K2-V4 PolarHBondContact O-N 3.15Å; V4-R6 PolarHBondContact O-N 3.02Å
5	L	40.5	Very low	49.1	Very low	148 Å²	148	143.7 Å²	143.7	78%	0.775	72%	0.718	S	S	*	*			trans	-66.3	96.4	171.2	-121.6	94.3	0	0	0	108.6	L3 M7	L3-L5 PolarHBondContact O-N 3.19Å; L5-M7 PolarHBondContact O-N 3.2Å
6	R	48.7	Very low	49.3	Very low	217 Å²	217	140.8 Å²	140.8	82%	0.819	70%	0.704	S	S	*	*			trans	-75.7	99.6	161.6	-80.4	-174.7	173.4	-172.7	-1.7	107.2	V4 I8	V4-R6 PolarHBondContact O-N 3.02Å; R6-I8 VanDerWaalsContact C-N 3.26Å; R6-I8 HydrophobicContact CB-CG1 4.49Å; R6-I8 PolarHBondContact O-N 3.31Å
7	M	48.5	Very low	49.3	Very low	160 Å²	160	139.4 Å²	139.4	79%	0.788	70%	0.699	S	S	*	*			trans	-63.6	92.9	162.7	-80.7	178.4	65.1	0	0	108.1	L5 V9	L5-M7 PolarHBondContact O-N 3.2Å; M7-V9 PolarHBondContact O-N 3.15Å; M7-V9 VanDerWaalsContact O-N 3.15Å
8	I	52.9	Low	49.4	Very low	145 Å²	145	139.8 Å²	139.8	74%	0.744	70%	0.696	S	S	*	*			trans	-76.5	95.1	165.9	-58.6	173.5	0	0	0	105	R6 P10	R6-I8 VanDerWaalsContact C-N 3.26Å; R6-I8 HydrophobicContact CB-CG1 4.49Å; R6-I8 PolarHBondContact O-N 3.31Å; I8-P10 VanDerWaalsContact O-CD 3.26Å; I8-P10 WeakPolarHBondContact O-CD 3.21Å
9	V	57.4	Low	49.6	Very low	80 Å²	80	135.7 Å²	135.7	49%	0.485	68%	0.682	S	S	.	*			trans	-65.3	118.4	166.1	-178.7	0	0	0	0	106.2	M7 S11 F13	M7-V9 PolarHBondContact O-N 3.15Å; M7-V9 VanDerWaalsContact O-N 3.15Å; V9-S11 PolarHBondContact O-N 3.04Å; V9-F13 HydrophobicContact CG1-CB 3.74Å
10	P	48.3	Very low	49.6	Very low	74 Å²	74	138 Å²	138	48%	0.481	69%	0.687	S	S	.	*			trans	-59.7	139	-178.7	-21.2	32.4	0	0	0	110	I8 W12 F13	I8-P10 VanDerWaalsContact O-CD 3.26Å; I8-P10 WeakPolarHBondContact O-CD 3.21Å; P10-W12 PolarHBondContact O-N 3.43Å; P10-F13 WeakPolarHBondContact O-CB 3.37Å; P10-F13 PolarHBondContact O-N 3.12Å
11	S	54	Low	49.8	Very low	85 Å²	85	140.2 Å²	140.2	59%	0.594	69%	0.693	S	S	*	*	H	α-helix	trans	-51.8	-29	-179.8	55.7	0	0	0	0	113.5	V9 F13 I14 C15	V9-S11 PolarHBondContact O-N 3.04Å; S11-F13 PolarHBondContact O-N 3.16Å; S11-I14 PolarHBondContact O-N 2.95Å; S11-C15 PolarHBondContact O-N 2.86Å
12	W	50.1	Low	50.7	Low	204 Å²	204	132 Å²	132	77%	0.773	66%	0.663	S	S	*	*	H	α-helix	trans	-65	-31.4	174.8	-87.9	56	0	0	0	114.3	P10 I14 C15 I16	P10-W12 PolarHBondContact O-N 3.43Å; W12-I14 VanDerWaalsContact C-N 3.31Å; W12-I14 PolarHBondContact O-N 3.48Å; W12-C15 PolarHBondContact O-N 3.28Å; W12-I16 WeakPolarHBondContact O-CG1 3.47Å; W12-I16 PolarHBondContact O-N 2.85Å
13	F	51.7	Low	51.6	Low	133 Å²	133	129.5 Å²	129.5	58%	0.583	65%	0.649	S	S	*	*	H	α-helix	trans	-67.9	-32.7	176.2	-108.1	-87.9	0	0	0	112.1	V9 P10 S11 L17	V9-F13 HydrophobicContact CG1-CB 3.74Å; P10-F13 WeakPolarHBondContact O-CB 3.37Å; P10-F13 PolarHBondContact O-N 3.12Å; S11-F13 PolarHBondContact O-N 3.16Å; F13-L17 PolarHBondContact O-N 3.19Å
14	I	55.5	Low	53	Low	90 Å²	90	124.4 Å²	124.4	46%	0.462	64%	0.635	S	S	.	*	H	α-helix	trans	-69.6	-43.1	175.6	-61.5	174.8	0	0	0	109.7	S11 W12 I16 L17 F18	S11-I14 PolarHBondContact O-N 2.95Å; W12-I14 VanDerWaalsContact C-N 3.31Å; W12-I14 PolarHBondContact O-N 3.48Å; I14-I16 PolarHBondContact O-N 3.11Å; I14-L17 PolarHBondContact O-N 2.94Å; I14-F18 HydrophobicContact CG2-CD2 3.86Å; I14-F18 HydrophobicContact CG2-CE2 3.61Å; I14-F18 WeakPolarHBondContact O-CD2 3.46Å; I14-F18 PolarHBondContact O-N 3.49Å
15	C	53.1	Low	55.1	Low	87 Å²	87	125.4 Å²	125.4	59%	0.588	64%	0.641	S	S	*	*	H	α-helix	trans	-63.5	-35.9	178.5	-66.4	0	0	0	0	113.9	S11 W12 S19	S11-C15 PolarHBondContact O-N 2.86Å; W12-C15 PolarHBondContact O-N 3.28Å; C15-S19 PolarHBondContact O-N 3.18Å
16	I	52.4	Low	57.7	Low	97 Å²	97	120.5 Å²	120.5	50%	0.497	62%	0.615	S	S	.	*	H	α-helix	trans	-74.7	-32.7	179.6	-64.3	168	0	0	0	111.7	W12 I14 F18 S19	W12-I16 WeakPolarHBondContact O-CG1 3.47Å; W12-I16 PolarHBondContact O-N 2.85Å; I14-I16 PolarHBondContact O-N 3.11Å; I16-F18 VanDerWaalsContact C-N 3.33Å; I16-S19 PolarHBondContact O-N 2.9Å; I16-S19 PolarHBondContact O-OG 2.77Å
17	L	49.1	Very low	59.8	Low	117 Å²	117	115 Å²	115	61%	0.613	60%	0.601	S	S	*	*	H	α-helix	trans	-68.1	-32.7	174.9	-90.2	157.5	0	0	0	112.1	F13 I14	F13-L17 PolarHBondContact O-N 3.19Å; I14-L17 PolarHBondContact O-N 2.94Å
18	F	51.7	Low	62	Low	148 Å²	148	113.4 Å²	113.4	65%	0.649	60%	0.596	S	S	*	*	H	α-helix	trans	-76.7	-31.5	174.3	-76.4	-70	0	0	0	113.3	I14 I16 K20 F21 A22	I14-F18 HydrophobicContact CG2-CD2 3.86Å; I14-F18 HydrophobicContact CG2-CE2 3.61Å; I14-F18 WeakPolarHBondContact O-CD2 3.46Å; I14-F18 PolarHBondContact O-N 3.49Å; I16-F18 VanDerWaalsContact C-N 3.33Å; F18-K20 PolarHBondContact O-N 2.95Å; F18-F21 PolarHBondContact O-N 2.99Å; F18-A22 VanDerWaalsContact O-CB 3.23Å; F18-A22 WeakPolarHBondContact O-CB 3.46Å; F18-A22 PolarHBondContact O-N 3.37Å
19	S	53.2	Low	64	Low	61 Å²	61	109.4 Å²	109.4	43%	0.427	58%	0.579	S	S	.	*	H	α-helix	trans	-68.9	-30.6	-175	72.1	0	0	0	0	114.4	C15 I16 F21 A22	C15-S19 PolarHBondContact O-N 3.18Å; I16-S19 PolarHBondContact O-N 2.9Å; I16-S19 PolarHBondContact O-OG 2.77Å; S19-F21 VanDerWaalsContact C-N 3.33Å; S19-F21 PolarHBondContact O-N 3.13Å; S19-A22 PolarHBondContact O-N 2.91Å
20	K	49.4	Very low	65.8	Low	182 Å²	182	107.5 Å²	107.5	79%	0.791	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77	-16.3	177.8	-72.4	-166.1	176.6	-172.6	0	114.4	F18	F18-K20 PolarHBondContact O-N 2.95Å
21	F	53.7	Low	68.1	Low	184 Å²	184	108.5 Å²	108.5	81%	0.807	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.6	6.4	173.2	-72.2	-82.2	0	0	0	112.6	F18 S19	F18-F21 PolarHBondContact O-N 2.99Å; S19-F21 VanDerWaalsContact C-N 3.33Å; S19-F21 PolarHBondContact O-N 3.13Å
22	A	61	Low	70	Confident	68 Å²	68	107.4 Å²	107.4	56%	0.562	56%	0.56	S	S	*	*			trans	-92.9	-9.7	-166.8	0	0	0	0	0	116.5	F18 S19 G24	F18-A22 VanDerWaalsContact O-CB 3.23Å; F18-A22 WeakPolarHBondContact O-CB 3.46Å; F18-A22 PolarHBondContact O-N 3.37Å; S19-A22 PolarHBondContact O-N 2.91Å; A22-G24 PolarHBondContact O-N 3.26Å
23	Y	62.9	Low	72.2	Confident	157 Å²	157	102.8 Å²	102.8	62%	0.616	55%	0.551	S	S	*	*			trans	-83.1	111.7	174.6	-65.3	-74.7	0	0	0	108.8
24	G	73.3	Confident	74.3	Confident	51 Å²	51	101 Å²	101	53%	0.526	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-61.9	173.8	170.4	0	0	0	0	0	111.7	A22 D26	A22-G24 PolarHBondContact O-N 3.26Å; G24-D26 PolarHBondContact O-N 3.22Å
25	V	90.5	Very high	76.3	Confident	145 Å²	145	101.4 Å²	101.4	88%	0.879	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-63.8	122.9	172.9	-179.1	0	0	0	0	108.8	I27	V25-I27 PolarHBondContact O-N 3.03Å
26	D	93.8	Very high	78.4	Confident	45 Å²	45	100.4 Å²	100.4	24%	0.241	53%	0.528	C	S	.	.	P	Polyproline II helix	trans	-61.3	129.1	177	-74.8	-25.3	0	0	0	110.4	G24 N28 H278 S279	G24-D26 PolarHBondContact O-N 3.22Å; D26-N28 PolarHBondContact O-N 2.79Å; D26-H278 VanDerWaalsContact OD1-CA 3.3Å; D26-H278 WeakPolarHBondContact OD1-CA 3.13Å; D26-H278 IonicContact OD1-CE1 2.73Å; D26-H278 IonicContact OD1-CG 3.53Å; D26-H278 IonicContact OD1-ND1 3.55Å; D26-H278 PolarHBondContact OD1-ND1 2.69Å; D26-H278 IonicContact OD2-CE1 3.93Å; D26-H278 PolarHBondContact OD2-CE1 3.25Å; D26-H278 VanDerWaalsContact OD2-CE1 3.23Å; D26-H278 IonicContact OD2-ND1 3.94Å; D26-H278 PolarHBondContact OD2-ND1 2.96Å; D26-S279 PolarHBondContact OD1-N 2.85Å; D26-S279 PolarHBondContact OD1-OG 2.99Å; D26-S279 PolarHBondContact OD2-OG 3.42Å
27	I	94.3	Very high	80.6	Confident	102 Å²	102	99.5 Å²	99.5	52%	0.523	53%	0.529	S	S	.	.			trans	-81.2	111.8	166.7	-61.7	175.1	0	0	0	107	V25 I274	V25-I27 PolarHBondContact O-N 3.03Å; I27-I274 HydrophobicContact CB-CG2 4.48Å; I27-I274 HydrophobicContact CD1-CD1 4.12Å; I27-I274 HydrophobicContact CD1-CG1 4.25Å
28	N	93.9	Very high	82.9	Confident	127 Å²	127	99.1 Å²	99.1	68%	0.679	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-77.2	140.8	178.3	-64.1	-59.6	0	0	0	110.7	D26	D26-N28 PolarHBondContact O-N 2.79Å
29	P	94.4	Very high	85.1	Confident	60 Å²	60	94.4 Å²	94.4	39%	0.39	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-66.1	160.6	176.1	29.9	-35.8	0	0	0	111.1	T285 E288	P29-T285 HydrophobicContact CB-CG2 3.53Å; P29-T285 HydrophobicContact CG-CG2 3.99Å; P29-E288 HydrophobicContact CB-CG 4.17Å
30	V	94.8	Very high	87.3	Confident	40 Å²	40	91.5 Å²	91.5	24%	0.242	49%	0.485	C	S	.	.	P	Polyproline II helix	trans	-61.3	143	174	73.9	0	0	0	0	110.7	H34 W287 E288	V30-H34 HydrophobicContact CG2-CB 4.07Å; V30-W287 HydrophobicContact CG1-CB 3.44Å; V30-W287 VanDerWaalsContact CG1-CB 3.44Å; V30-W287 WeakPolarHBondContact CG1-O 3.35Å; V30-E288 HydrophobicContact CB-CG 4.39Å; V30-E288 HydrophobicContact CG1-CG 4Å
31	D	96.4	Very high	89.6	Confident	95 Å²	95	88.6 Å²	88.6	51%	0.508	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-56.7	127.9	173	-172.4	-20.1	0	0	0	110.2	D33 H34 R61	D31-D33 PolarHBondContact O-N 2.76Å; D31-D33 PolarHBondContact OD1-N 3.13Å; D31-H34 HydrophobicContact CB-CB 4.13Å; D31-H34 WeakPolarHBondContact O-CB 3.28Å; D31-H34 PolarHBondContact O-N 3.3Å; D31-H34 VanDerWaalsContact O-N 3.09Å; D31-R61 PolarHBondContact O-NH2 3.35Å
32	P	95.3	Very high	91.6	Very high	63 Å²	63	81.9 Å²	81.9	41%	0.409	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48	-37.6	169.7	-30.2	36.5	0	0	0	114.3	H34 R61 W287	P32-H34 VanDerWaalsContact C-N 3.35Å; P32-R61 PolarHBondContact O-NH2 2.94Å; P32-W287 HydrophobicContact CB-CD2 4.31Å; P32-W287 HydrophobicContact CB-CG 4.23Å; P32-W287 HydrophobicContact CB-CZ2 4.36Å; P32-W287 HydrophobicContact CG-CG 4.47Å
33	D	95.4	Very high	93.4	Very high	107 Å²	107	82 Å²	82	57%	0.572	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-1.8	-177.5	-74.8	-41.7	0	0	0	114	D31 Y35 K64	D31-D33 PolarHBondContact O-N 2.76Å; D31-D33 PolarHBondContact OD1-N 3.13Å; D33-Y35 VanDerWaalsContact O-CD1 3.26Å; D33-Y35 WeakPolarHBondContact O-CD1 3.27Å; D33-Y35 PolarHBondContact O-N 2.96Å; D33-K64 IonicContact OD1-NZ 2.99Å; D33-K64 PolarHBondContact OD1-NZ 3.3Å
34	H	96.3	Very high	95.1	Very high	95 Å²	95	74.6 Å²	74.6	44%	0.44	42%	0.416	S	S	.	.			trans	-69.5	131.3	172.5	-178.4	74.6	0	0	0	111.5	V30 D31 P32 R61	V30-H34 HydrophobicContact CG2-CB 4.07Å; D31-H34 HydrophobicContact CB-CB 4.13Å; D31-H34 WeakPolarHBondContact O-CB 3.28Å; D31-H34 PolarHBondContact O-N 3.3Å; D31-H34 VanDerWaalsContact O-N 3.09Å; P32-H34 VanDerWaalsContact C-N 3.35Å; H34-R61 PolarHBondContact O-NE 3.37Å; H34-R61 PolarHBondContact O-NH2 3Å; H34-R61 VanDerWaalsContact O-NH2 3.15Å
35	Y	97.5	Very high	96.4	Very high	98 Å²	98	72.1 Å²	72.1	38%	0.384	39%	0.391	S	S	.	.			trans	-156	164	171.7	68.3	-83.9	0	0	0	110.4	D33 P37 K64 E65	D33-Y35 VanDerWaalsContact O-CD1 3.26Å; D33-Y35 WeakPolarHBondContact O-CD1 3.27Å; D33-Y35 PolarHBondContact O-N 2.96Å; Y35-P37 HydrophobicContact CD2-CG 4.24Å; Y35-P37 HydrophobicContact CE2-CB 4.29Å; Y35-P37 HydrophobicContact CE2-CG 3.78Å; Y35-K64 HydrophobicContact CD1-CB 4.32Å; Y35-K64 HydrophobicContact CD1-CD 4.05Å; Y35-K64 HydrophobicContact CD2-CB 3.92Å; Y35-K64 WeakPolarHBondContact CD2-O 3.22Å; Y35-K64 HydrophobicContact CE1-CD 4.39Å; Y35-K64 HydrophobicContact CE2-CB 4.27Å; Y35-K64 WeakPolarHBondContact CE2-O 3.47Å; Y35-K64 HydrophobicContact CG-CB 3.96Å; Y35-K64 HydrophobicContact CG-CD 4.43Å; Y35-E65 HydrophobicContact CD2-CG 4.07Å; Y35-E65 HydrophobicContact CG-CG 4.43Å
36	I	97.7	Very high	96.8	Very high	66 Å²	66	65.2 Å²	65.2	34%	0.338	35%	0.349	S	S	.	.			trans	-107.4	104.9	177.3	-57	179.8	0	0	0	109.9	R39 E65	I36-R39 HydrophobicContact CB-CB 4.3Å; I36-R39 HydrophobicContact CG2-CB 4.17Å; I36-R39 WeakPolarHBondContact O-CB 3.21Å; I36-R39 PolarHBondContact O-N 2.94Å; I36-E65 PolarHBondContact N-OE1 2.76Å; I36-E65 WeakPolarHBondContact O-CB 3.46Å; I36-E65 WeakPolarHBondContact O-CG 3.32Å
37	P	97.4	Very high	97	Very high	78 Å²	78	63.1 Å²	63.1	51%	0.506	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	142	-176.3	-24.3	32.1	0	0	0	113.2	Y35 R39	Y35-P37 HydrophobicContact CD2-CG 4.24Å; Y35-P37 HydrophobicContact CE2-CB 4.29Å; Y35-P37 HydrophobicContact CE2-CG 3.78Å; P37-R39 PolarHBondContact O-N 2.92Å
38	N	97.6	Very high	97.2	Very high	110 Å²	110	58.4 Å²	58.4	59%	0.588	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	7.6	174.5	-47.9	-53.4	0	0	0	116.2	F40 Q41 E65	N38-F40 PolarHBondContact O-N 3.2Å; N38-F40 VanDerWaalsContact O-N 3.12Å; N38-Q41 HydrophobicContact CB-CB 4.22Å; N38-Q41 WeakPolarHBondContact O-CB 3.33Å; N38-Q41 PolarHBondContact O-N 3.08Å; N38-Q41 VanDerWaalsContact O-N 3.16Å; N38-E65 CarbonylContact C-O 3.41Å; N38-E65 VanDerWaalsContact C-O 3.28Å; N38-E65 WeakPolarHBondContact CA-O 3.37Å; N38-E65 PolarHBondContact N-O 2.93Å
39	R	98.3	Very high	97.4	Very high	48 Å²	48	53 Å²	53	18%	0.181	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-30.5	179.8	-177.7	165.9	64.3	174.3	-9.9	112.9	I36 P37 E65 E300	I36-R39 HydrophobicContact CB-CB 4.3Å; I36-R39 HydrophobicContact CG2-CB 4.17Å; I36-R39 WeakPolarHBondContact O-CB 3.21Å; I36-R39 PolarHBondContact O-N 2.94Å; P37-R39 PolarHBondContact O-N 2.92Å; R39-E65 HydrophobicContact CB-CB 4.32Å; R39-E65 IonicContact CZ-OE1 3.16Å; R39-E65 IonicContact CZ-OE2 3.52Å; R39-E65 PolarHBondContact N-O 3.32Å; R39-E65 VanDerWaalsContact N-O 3.15Å; R39-E65 IonicContact NE-OE1 2.85Å; R39-E65 IonicContact NE-OE2 2.92Å; R39-E65 PolarHBondContact NE-OE2 3.1Å; R39-E65 IonicContact NH2-OE1 2.69Å; R39-E65 PolarHBondContact NH2-OE1 2.67Å; R39-E65 IonicContact NH2-OE2 3.74Å; R39-E65 PolarHBondContact NH2-OE2 2.97Å; R39-E300 IonicContact NH1-OE1 2.83Å
40	F	98.7	Very high	97.6	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.2	25.6	-179.5	-60.8	-65.4	0	0	0	112.7	N38 G42 K43 I45 E65 G66 A67 Y122 L294 L297	N38-F40 PolarHBondContact O-N 3.2Å; N38-F40 VanDerWaalsContact O-N 3.12Å; F40-G42 PolarHBondContact O-N 2.71Å; F40-G42 VanDerWaalsContact O-N 3.13Å; F40-K43 HydrophobicContact CB-CB 4.34Å; F40-K43 VanDerWaalsContact O-CB 3.29Å; F40-K43 WeakPolarHBondContact O-CB 3.41Å; F40-K43 PolarHBondContact O-N 2.84Å; F40-I45 HydrophobicContact CD1-CD1 4.26Å; F40-I45 HydrophobicContact CD2-CD1 4.28Å; F40-I45 HydrophobicContact CE1-CD1 4.47Å; F40-I45 HydrophobicContact CE2-CD1 4.5Å; F40-I45 HydrophobicContact CG-CD1 4.15Å; F40-E65 HydrophobicContact CD2-CB 3.93Å; F40-E65 WeakPolarHBondContact CD2-OE2 3.33Å; F40-E65 WeakPolarHBondContact CE2-OE2 3.36Å; F40-E65 PolarHBondContact N-O 3.31Å; F40-G66 CarbonylContact O-C 3.45Å; F40-G66 VanDerWaalsContact O-O 3.12Å; F40-A67 HydrophobicContact CB-CB 3.64Å; F40-A67 HydrophobicContact CG-CB 4.43Å; F40-Y122 AromaticContact CD1-CD2 3.95Å; F40-Y122 HydrophobicContact CD1-CD2 3.95Å; F40-Y122 AromaticContact CD1-CE2 3.58Å; F40-Y122 HydrophobicContact CD1-CE2 3.58Å; F40-Y122 HydrophobicContact CE1-CD2 4.23Å; F40-Y122 AromaticContact CE1-CE2 3.98Å; F40-Y122 HydrophobicContact CE1-CE2 3.98Å; F40-L294 HydrophobicContact CE2-CB 3.95Å; F40-L294 HydrophobicContact CE2-CD1 4.4Å; F40-L294 HydrophobicContact CE2-CD2 3.73Å; F40-L294 HydrophobicContact CE2-CG 4.23Å; F40-L294 HydrophobicContact CZ-CB 4.03Å; F40-L294 HydrophobicContact CZ-CD2 4.07Å; F40-L294 WeakPolarHBondContact CZ-O 3.43Å; F40-L297 HydrophobicContact CE1-CB 4.03Å; F40-L297 HydrophobicContact CZ-CB 4.12Å
41	Q	98.2	Very high	97.8	Very high	121 Å²	121	48.3 Å²	48.3	57%	0.565	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	120.7	-176.4	-176.2	59.1	42.4	0	0	111.9	N38 K43 G66	N38-Q41 HydrophobicContact CB-CB 4.22Å; N38-Q41 WeakPolarHBondContact O-CB 3.33Å; N38-Q41 PolarHBondContact O-N 3.08Å; N38-Q41 VanDerWaalsContact O-N 3.16Å; Q41-K43 PolarHBondContact O-N 2.96Å; Q41-G66 WeakPolarHBondContact CA-O 3.17Å
42	G	96.8	Very high	97.8	Very high	43 Å²	43	46.5 Å²	46.5	44%	0.443	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	11.9	178.7	0	0	0	0	0	114.8	F40 G66	F40-G42 PolarHBondContact O-N 2.71Å; F40-G42 VanDerWaalsContact O-N 3.13Å; G42-G66 PolarHBondContact N-O 2.86Å
43	K	98.7	Very high	97.8	Very high	72 Å²	72	44.4 Å²	44.4	31%	0.313	23%	0.234	S	C	.	.			trans	-99.6	147.5	176.9	-57.5	-70.3	176.7	173.1	0	110.6	F40 Q41 A67 N68 D121 Y122	F40-K43 HydrophobicContact CB-CB 4.34Å; F40-K43 VanDerWaalsContact O-CB 3.29Å; F40-K43 WeakPolarHBondContact O-CB 3.41Å; F40-K43 PolarHBondContact O-N 2.84Å; Q41-K43 PolarHBondContact O-N 2.96Å; K43-A67 CarbonylContact O-C 3.53Å; K43-A67 WeakPolarHBondContact O-CA 3.42Å; K43-N68 PolarHBondContact O-N 2.9Å; K43-D121 WeakPolarHBondContact CA-OD2 3.39Å; K43-D121 HydrophobicContact CB-CB 4.15Å; K43-D121 HydrophobicContact CD-CB 3.96Å; K43-D121 VanDerWaalsContact CD-CG 3.46Å; K43-D121 WeakPolarHBondContact CD-OD1 3.42Å; K43-D121 IonicContact NZ-OD1 3.68Å; K43-Y122 HydrophobicContact CB-CD2 4.05Å; K43-Y122 HydrophobicContact CB-CE2 3.62Å; K43-Y122 HydrophobicContact CD-CE2 4.15Å; K43-Y122 HydrophobicContact CG-CE2 3.8Å
44	T	98.9	Very high	97.9	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	127.1	178	-56.7	0	0	0	0	111.3	N68 V70 F117 R119 D121 Y122	T44-N68 WeakPolarHBondContact CA-O 3.4Å; T44-N68 HydrophobicContact CG2-CB 4.41Å; T44-V70 HydrophobicContact CG2-CG2 4.01Å; T44-F117 HydrophobicContact CG2-CB 4.07Å; T44-F117 HydrophobicContact CG2-CD2 3.78Å; T44-F117 HydrophobicContact CG2-CG 4.29Å; T44-F117 VanDerWaalsContact OG1-CB 3.29Å; T44-F117 WeakPolarHBondContact OG1-CB 3.27Å; T44-R119 WeakPolarHBondContact CB-O 3.23Å; T44-R119 VanDerWaalsContact CG2-O 3.3Å; T44-R119 WeakPolarHBondContact CG2-O 3.25Å; T44-R119 PolarHBondContact OG1-O 2.95Å; T44-D121 PolarHBondContact N-OD2 2.86Å; T44-D121 PolarHBondContact O-N 3.48Å; T44-Y122 PolarHBondContact O-N 3.32Å
45	I	98.9	Very high	98	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	117.9	175.5	-43	-166.3	0	0	0	110	F40 I47 A62 A67 N68 I69 V70 Y122 V124 L294 L297	F40-I45 HydrophobicContact CD1-CD1 4.26Å; F40-I45 HydrophobicContact CD2-CD1 4.28Å; F40-I45 HydrophobicContact CE1-CD1 4.47Å; F40-I45 HydrophobicContact CE2-CD1 4.5Å; F40-I45 HydrophobicContact CG-CD1 4.15Å; I45-I47 HydrophobicContact CG2-CD1 4.19Å; I45-I47 HydrophobicContact CG2-CG1 3.79Å; I45-A62 HydrophobicContact CD1-CB 3.77Å; I45-A67 HydrophobicContact CD1-CB 3.99Å; I45-A67 HydrophobicContact CG1-CB 3.93Å; I45-N68 PolarHBondContact N-O 3.41Å; I45-I69 HydrophobicContact CB-CD1 4.28Å; I45-V70 PolarHBondContact O-N 3.09Å; I45-Y122 WeakPolarHBondContact CA-O 3.44Å; I45-Y122 HydrophobicContact CD1-CD2 4.25Å; I45-Y122 HydrophobicContact CG1-CD2 4Å; I45-Y122 HydrophobicContact CG1-CG 4.5Å; I45-V124 HydrophobicContact CG2-CG2 4.15Å; I45-L294 HydrophobicContact CD1-CD2 4.48Å; I45-L297 HydrophobicContact CD1-CD1 4.13Å; I45-L297 HydrophobicContact CG2-CD1 4.1Å
46	L	99	Very high	98.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	124	169.7	174.4	62	0	0	0	109.9	V70 A72 M109 V110 I120 Y122 A123 V124 E178	L46-V70 HydrophobicContact CD1-CB 3.76Å; L46-V70 HydrophobicContact CD1-CG1 3.46Å; L46-V70 VanDerWaalsContact CD1-CG1 3.46Å; L46-A72 HydrophobicContact CD1-CB 4.08Å; L46-M109 HydrophobicContact CD1-CB 4.37Å; L46-M109 HydrophobicContact CD1-CG 4.49Å; L46-M109 HydrophobicContact CD1-SD 4.47Å; L46-M109 HydrophobicContact CD2-CE 4.09Å; L46-M109 HydrophobicContact CD2-CG 4.02Å; L46-M109 HydrophobicContact CD2-SD 4.1Å; L46-V110 HydrophobicContact CD2-CG2 4.03Å; L46-I120 HydrophobicContact CB-CD1 4.47Å; L46-I120 HydrophobicContact CB-CG2 4.15Å; L46-I120 HydrophobicContact CD2-CD1 4.05Å; L46-Y122 PolarHBondContact N-O 3.49Å; L46-A123 CarbonylContact O-C 3.23Å; L46-A123 VanDerWaalsContact O-CA 3.22Å; L46-A123 WeakPolarHBondContact O-CA 3.42Å; L46-V124 PolarHBondContact O-N 2.82Å; L46-E178 HydrophobicContact CD2-CG 4.14Å
47	I	98.9	Very high	98.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	107.9	-176.6	-55.8	175.5	0	0	0	108.9	I45 V58 A59 I69 V70 A72 V124	I45-I47 HydrophobicContact CG2-CD1 4.19Å; I45-I47 HydrophobicContact CG2-CG1 3.79Å; I47-V58 HydrophobicContact CD1-CB 4.47Å; I47-V58 HydrophobicContact CD1-CG1 3.96Å; I47-A59 HydrophobicContact CD1-CB 3.73Å; I47-I69 HydrophobicContact CD1-CG2 4.34Å; I47-V70 PolarHBondContact N-O 3.35Å; I47-A72 PolarHBondContact O-N 3.13Å; I47-V124 WeakPolarHBondContact CA-O 3.48Å; I47-V124 HydrophobicContact CG1-CB 4.18Å; I47-V124 HydrophobicContact CG1-CG2 4.36Å; I47-V124 HydrophobicContact CG2-CB 4.29Å
48	T	98.8	Very high	98.1	Very high	3 Å²	3	27.8 Å²	27.8	2%	0.018	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	141.7	168	69.1	0	0	0	0	109.8	G50 A72 V100 M109 V124 N125 A126 A127	T48-G50 VanDerWaalsContact C-N 3.32Å; T48-A72 CarbonylContact C-O 3.44Å; T48-A72 VanDerWaalsContact CA-O 3.23Å; T48-A72 WeakPolarHBondContact CA-O 3.45Å; T48-A72 HydrophobicContact CG2-CB 4.2Å; T48-V100 HydrophobicContact CG2-CG1 3.87Å; T48-M109 HydrophobicContact CG2-CE 4.04Å; T48-M109 HydrophobicContact CG2-SD 3.78Å; T48-V124 PolarHBondContact N-O 3.43Å; T48-N125 WeakPolarHBondContact OG1-CA 3.48Å; T48-A126 CarbonylContact O-C 3.36Å; T48-A126 WeakPolarHBondContact O-CA 3.23Å; T48-A126 WeakPolarHBondContact O-CB 3.3Å; T48-A126 PolarHBondContact O-N 3.15Å; T48-A126 VanDerWaalsContact O-N 3.11Å; T48-A126 PolarHBondContact OG1-N 3.2Å; T48-A127 PolarHBondContact O-N 3.1Å; T48-A127 VanDerWaalsContact O-N 3.12Å; T48-A127 PolarHBondContact OG1-N 3Å
49	G	98.2	Very high	98.2	Very high	13 Å²	13	22.5 Å²	22.5	13%	0.134	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	25.2	-174.4	0	0	0	0	0	113.1	G55 A72 D73	G49-G55 WeakPolarHBondContact O-CA 3.45Å; G49-A72 PolarHBondContact N-O 3.15Å; G49-D73 WeakPolarHBondContact CA-OD2 3.37Å
50	G	98	Very high	98.2	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-1.6	-174.1	0	0	0	0	0	115.6	T48 R56 D73	T48-G50 VanDerWaalsContact C-N 3.32Å; G50-R56 WeakPolarHBondContact O-CA 3.36Å; G50-R56 PolarHBondContact O-N 3.14Å; G50-D73 PolarHBondContact N-OD2 2.95Å
51	A	98.1	Very high	98.2	Very high	3 Å²	3	20.9 Å²	20.9	3%	0.025	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-20.1	-174.2	0	0	0	0	0	114.7	D73 L75 K78 T82	A51-D73 HydrophobicContact CB-CB 3.6Å; A51-D73 WeakPolarHBondContact CB-OD2 3.4Å; A51-D73 PolarHBondContact N-OD2 3.06Å; A51-L75 HydrophobicContact CB-CB 4.15Å; A51-K78 HydrophobicContact CB-CB 3.82Å; A51-T82 PolarHBondContact O-OG1 3.45Å
52	R	97.2	Very high	98.2	Very high	57 Å²	57	15.1 Å²	15.1	22%	0.215	9%	0.085	C	C	.	.	S	Bend	trans	-158.2	176.2	-179.8	66.9	-178.4	-176.1	176	-13	112.2	M54 R56 S135 D245	R52-M54 PolarHBondContact O-N 3.49Å; R52-R56 PolarHBondContact O-N 3.4Å; R52-S135 PolarHBondContact NH2-O 3.46Å; R52-D245 IonicContact CZ-OD1 3.76Å; R52-D245 IonicContact NE-OD1 3.77Å; R52-D245 IonicContact NH1-OD1 3.46Å; R52-D245 PolarHBondContact NH1-OD1 3.24Å
53	G	96.2	Very high	98.3	Very high	18 Å²	18	13.5 Å²	13.5	19%	0.186	7%	0.068	C	C	.	.	H	α-helix	trans	52.5	-129.7	173.8	0	0	0	0	0	113.1	R56 A57	G53-R56 PolarHBondContact O-N 3.43Å; G53-A57 PolarHBondContact O-N 3.35Å; G53-A57 VanDerWaalsContact O-N 3.08Å
54	M	97	Very high	98.3	Very high	15 Å²	15	13.3 Å²	13.3	7%	0.074	7%	0.067	C	C	.	.	H	α-helix	trans	-60.7	-51.2	-175.5	-173.9	52.9	48.7	0	0	113.7	R52 R56 A57 V58 M239 T242 V286 Q289 I293	R52-M54 PolarHBondContact O-N 3.49Å; M54-R56 VanDerWaalsContact C-N 3.26Å; M54-R56 PolarHBondContact O-N 3.31Å; M54-A57 PolarHBondContact O-N 2.99Å; M54-A57 VanDerWaalsContact O-N 3.13Å; M54-V58 HydrophobicContact CG-CG2 4.45Å; M54-V58 WeakPolarHBondContact O-CG2 3.34Å; M54-V58 PolarHBondContact O-N 3.13Å; M54-V58 HydrophobicContact SD-CG2 4.2Å; M54-M239 HydrophobicContact CE-CE 4.44Å; M54-M239 HydrophobicContact CG-CE 4.09Å; M54-T242 HydrophobicContact CE-CG2 3.55Å; M54-V286 HydrophobicContact CE-CB 3.82Å; M54-V286 HydrophobicContact CE-CG1 3.91Å; M54-Q289 HydrophobicContact CE-CB 3.36Å; M54-Q289 HydrophobicContact CE-CG 3.53Å; M54-Q289 HydrophobicContact SD-CB 3.37Å; M54-Q289 WeakPolarHBondContact SD-CB 3.31Å; M54-Q289 HydrophobicContact SD-CG 4.22Å; M54-I293 HydrophobicContact CG-CD1 4.08Å; M54-I293 HydrophobicContact SD-CD1 3.94Å
55	G	98.3	Very high	98.3	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.01	7%	0.067	C	C	.	.	H	α-helix	trans	-61.4	-38.9	-177.2	0	0	0	0	0	111.4	G49 V58 A59	G49-G55 WeakPolarHBondContact O-CA 3.45Å; G55-V58 PolarHBondContact O-N 3.11Å; G55-A59 VanDerWaalsContact O-CB 3.28Å; G55-A59 WeakPolarHBondContact O-CB 3.43Å; G55-A59 PolarHBondContact O-N 3.14Å
56	R	98.4	Very high	98.2	Very high	77 Å²	77	14.3 Å²	14.3	29%	0.291	8%	0.077	S	C	.	.	H	α-helix	trans	-61.8	-45.6	173.1	171.6	172.2	179.8	-74.1	5.5	112.5	G50 R52 G53 M54 V58 A59 I60 T82 E85	G50-R56 WeakPolarHBondContact O-CA 3.36Å; G50-R56 PolarHBondContact O-N 3.14Å; R52-R56 PolarHBondContact O-N 3.4Å; G53-R56 PolarHBondContact O-N 3.43Å; M54-R56 VanDerWaalsContact C-N 3.26Å; M54-R56 PolarHBondContact O-N 3.31Å; R56-V58 PolarHBondContact O-N 3.21Å; R56-A59 WeakPolarHBondContact O-CB 3.29Å; R56-A59 PolarHBondContact O-N 3.09Å; R56-I60 HydrophobicContact CG-CD1 3.7Å; R56-I60 HydrophobicContact CG-CG1 4.44Å; R56-I60 VanDerWaalsContact CZ-CD1 3.44Å; R56-I60 WeakPolarHBondContact O-CG1 3.14Å; R56-I60 PolarHBondContact O-N 3.09Å; R56-T82 HydrophobicContact CB-CG2 4.18Å; R56-T82 WeakPolarHBondContact CD-OG1 3.4Å; R56-T82 HydrophobicContact CG-CG2 3.68Å; R56-E85 IonicContact CZ-OE1 2.74Å; R56-E85 IonicContact CZ-OE2 2.67Å; R56-E85 IonicContact NE-OE2 3.69Å; R56-E85 IonicContact NH2-OE1 3.85Å; R56-E85 PolarHBondContact NH2-OE1 3.06Å; R56-E85 IonicContact NH2-OE2 2.71Å; R56-E85 PolarHBondContact NH2-OE2 2.97Å
57	A	98.2	Very high	98.2	Very high	2 Å²	2	14.4 Å²	14.4	2%	0.017	8%	0.077	C	C	.	.	H	α-helix	trans	-62.6	-43.2	179.1	0	0	0	0	0	111.8	G53 M54 R61 V286 W287	G53-A57 PolarHBondContact O-N 3.35Å; G53-A57 VanDerWaalsContact O-N 3.08Å; M54-A57 PolarHBondContact O-N 2.99Å; M54-A57 VanDerWaalsContact O-N 3.13Å; A57-R61 WeakPolarHBondContact O-CB 3.4Å; A57-R61 PolarHBondContact O-N 3.39Å; A57-V286 HydrophobicContact CB-CB 3.65Å; A57-V286 HydrophobicContact CB-CG2 3.52Å; A57-W287 HydrophobicContact CB-CE3 4Å; A57-W287 HydrophobicContact CB-CH2 4.12Å; A57-W287 HydrophobicContact CB-CZ3 3.77Å; A57-W287 WeakPolarHBondContact O-CZ3 3.44Å
58	V	98.7	Very high	98.2	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-60.9	-46	173.8	175.7	0	0	0	0	110.7	I47 M54 G55 R56 R61 A62 V124 A290 I293 L294	I47-V58 HydrophobicContact CD1-CB 4.47Å; I47-V58 HydrophobicContact CD1-CG1 3.96Å; M54-V58 HydrophobicContact CG-CG2 4.45Å; M54-V58 WeakPolarHBondContact O-CG2 3.34Å; M54-V58 PolarHBondContact O-N 3.13Å; M54-V58 HydrophobicContact SD-CG2 4.2Å; G55-V58 PolarHBondContact O-N 3.11Å; R56-V58 PolarHBondContact O-N 3.21Å; V58-R61 PolarHBondContact O-N 3.13Å; V58-A62 WeakPolarHBondContact O-CB 3.39Å; V58-A62 PolarHBondContact O-N 3.43Å; V58-V124 HydrophobicContact CG1-CG2 4.18Å; V58-A290 HydrophobicContact CG2-CB 3.96Å; V58-I293 HydrophobicContact CG1-CG2 4.08Å; V58-I293 HydrophobicContact CG2-CB 4.33Å; V58-I293 HydrophobicContact CG2-CD1 3.72Å; V58-I293 HydrophobicContact CG2-CG2 4.15Å; V58-L294 HydrophobicContact CG1-CD2 3.89Å; V58-L294 HydrophobicContact CG1-CG 4.49Å
59	A	98.8	Very high	98.2	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-58.5	-50.9	179.2	0	0	0	0	0	112.3	I47 G55 R56 A63 I69 T82 I86	I47-A59 HydrophobicContact CD1-CB 3.73Å; G55-A59 VanDerWaalsContact O-CB 3.28Å; G55-A59 WeakPolarHBondContact O-CB 3.43Å; G55-A59 PolarHBondContact O-N 3.14Å; R56-A59 WeakPolarHBondContact O-CB 3.29Å; R56-A59 PolarHBondContact O-N 3.09Å; A59-A63 WeakPolarHBondContact O-CB 3.48Å; A59-A63 PolarHBondContact O-N 3.43Å; A59-I69 HydrophobicContact CB-CG2 3.9Å; A59-T82 HydrophobicContact CB-CG2 4.42Å; A59-I86 HydrophobicContact CB-CD1 4Å
60	I	98.4	Very high	98.3	Very high	9 Å²	9	14.7 Å²	14.7	5%	0.046	8%	0.076	C	C	.	.	H	α-helix	trans	-63.9	-45.9	-179.8	-68.6	166.8	0	0	0	110.9	R56 A63 K64 T82 E85 I86 I89	R56-I60 HydrophobicContact CG-CD1 3.7Å; R56-I60 HydrophobicContact CG-CG1 4.44Å; R56-I60 VanDerWaalsContact CZ-CD1 3.44Å; R56-I60 WeakPolarHBondContact O-CG1 3.14Å; R56-I60 PolarHBondContact O-N 3.09Å; I60-A63 PolarHBondContact O-N 2.92Å; I60-K64 PolarHBondContact O-N 3.09Å; I60-K64 VanDerWaalsContact O-N 3.1Å; I60-T82 HydrophobicContact CG1-CG2 4.43Å; I60-E85 HydrophobicContact CD1-CG 4.49Å; I60-E85 WeakPolarHBondContact CD1-OE1 3.44Å; I60-I86 HydrophobicContact CG1-CG1 4.14Å; I60-I89 HydrophobicContact CG2-CD1 4.45Å
61	R	98.4	Very high	98.3	Very high	5 Å²	5	14.8 Å²	14.8	2%	0.019	8%	0.076	C	C	.	.	H	α-helix	trans	-66	-46.3	179.5	-175.3	169.5	-73	-179.2	-8.1	111.3	D31 P32 H34 A57 V58 A63 K64 E65 W287 S291 L294	D31-R61 PolarHBondContact O-NH2 3.35Å; P32-R61 PolarHBondContact O-NH2 2.94Å; H34-R61 PolarHBondContact O-NE 3.37Å; H34-R61 PolarHBondContact O-NH2 3Å; H34-R61 VanDerWaalsContact O-NH2 3.15Å; A57-R61 WeakPolarHBondContact O-CB 3.4Å; A57-R61 PolarHBondContact O-N 3.39Å; V58-R61 PolarHBondContact O-N 3.13Å; R61-A63 VanDerWaalsContact C-N 3.26Å; R61-A63 PolarHBondContact O-N 3.45Å; R61-K64 WeakPolarHBondContact O-CB 3.3Å; R61-K64 PolarHBondContact O-N 3.23Å; R61-K64 VanDerWaalsContact O-N 3.11Å; R61-E65 VanDerWaalsContact O-CG 3.3Å; R61-E65 WeakPolarHBondContact O-CG 3.26Å; R61-E65 PolarHBondContact O-N 3.19Å; R61-E65 VanDerWaalsContact O-N 3.11Å; R61-W287 HydrophobicContact CB-CZ3 4.28Å; R61-W287 PolarHBondContact NH1-O 3.45Å; R61-S291 PolarHBondContact NH1-OG 3.42Å; R61-L294 HydrophobicContact CB-CD1 3.98Å; R61-L294 HydrophobicContact CG-CD1 3.62Å
62	A	98.7	Very high	98.3	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-58.6	-37.4	176.6	0	0	0	0	0	112.8	I45 V58 E65 G66 A67 I69 L294	I45-A62 HydrophobicContact CD1-CB 3.77Å; V58-A62 WeakPolarHBondContact O-CB 3.39Å; V58-A62 PolarHBondContact O-N 3.43Å; A62-E65 CarbonylContact O-C 3.56Å; A62-E65 WeakPolarHBondContact O-CA 3.41Å; A62-E65 PolarHBondContact O-N 2.92Å; A62-E65 VanDerWaalsContact O-N 3.13Å; A62-G66 PolarHBondContact O-N 2.84Å; A62-A67 HydrophobicContact CB-CB 4.17Å; A62-A67 VanDerWaalsContact O-CB 3.27Å; A62-A67 WeakPolarHBondContact O-CB 3.22Å; A62-A67 PolarHBondContact O-N 2.94Å; A62-A67 VanDerWaalsContact O-N 3.09Å; A62-I69 HydrophobicContact CB-CD1 3.64Å; A62-L294 HydrophobicContact CB-CD2 3.87Å
63	A	98.6	Very high	98.4	Very high	9 Å²	9	12.6 Å²	12.6	7%	0.074	7%	0.068	C	C	.	.	H	α-helix	trans	-64.1	-44.2	174.2	0	0	0	0	0	112.4	A59 I60 R61 E65 G66 I69 I86	A59-A63 WeakPolarHBondContact O-CB 3.48Å; A59-A63 PolarHBondContact O-N 3.43Å; I60-A63 PolarHBondContact O-N 2.92Å; R61-A63 VanDerWaalsContact C-N 3.26Å; R61-A63 PolarHBondContact O-N 3.45Å; A63-E65 PolarHBondContact O-N 3.2Å; A63-E65 VanDerWaalsContact O-N 3.14Å; A63-G66 PolarHBondContact O-N 3.41Å; A63-I69 HydrophobicContact CB-CG1 3.93Å; A63-I86 HydrophobicContact CB-CB 4.33Å; A63-I86 HydrophobicContact CB-CD1 4.45Å; A63-I86 HydrophobicContact CB-CG1 4.07Å; A63-I86 HydrophobicContact CB-CG2 3.45Å; A63-I86 VanDerWaalsContact CB-CG2 3.45Å
64	K	98.2	Very high	98.5	Very high	68 Å²	68	14.7 Å²	14.7	30%	0.296	7%	0.07	S	C	.	.	H	α-helix	trans	-57.6	-25.4	172.2	-71.3	-177.1	174.8	-174.4	0	112.2	D33 Y35 I60 R61 I89	D33-K64 IonicContact OD1-NZ 2.99Å; D33-K64 PolarHBondContact OD1-NZ 3.3Å; Y35-K64 HydrophobicContact CD1-CB 4.32Å; Y35-K64 HydrophobicContact CD1-CD 4.05Å; Y35-K64 HydrophobicContact CD2-CB 3.92Å; Y35-K64 WeakPolarHBondContact CD2-O 3.22Å; Y35-K64 HydrophobicContact CE1-CD 4.39Å; Y35-K64 HydrophobicContact CE2-CB 4.27Å; Y35-K64 WeakPolarHBondContact CE2-O 3.47Å; Y35-K64 HydrophobicContact CG-CB 3.96Å; Y35-K64 HydrophobicContact CG-CD 4.43Å; I60-K64 PolarHBondContact O-N 3.09Å; I60-K64 VanDerWaalsContact O-N 3.1Å; R61-K64 WeakPolarHBondContact O-CB 3.3Å; R61-K64 PolarHBondContact O-N 3.23Å; R61-K64 VanDerWaalsContact O-N 3.11Å; K64-I89 HydrophobicContact CG-CD1 3.7Å
65	E	98.5	Very high	98.5	Very high	2 Å²	2	14.8 Å²	14.8	1%	0.009	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94	10.8	178.7	-60.2	-176.2	-179.9	0	0	114.1	Y35 I36 N38 R39 F40 R61 A62 A63	Y35-E65 HydrophobicContact CD2-CG 4.07Å; Y35-E65 HydrophobicContact CG-CG 4.43Å; I36-E65 PolarHBondContact N-OE1 2.76Å; I36-E65 WeakPolarHBondContact O-CB 3.46Å; I36-E65 WeakPolarHBondContact O-CG 3.32Å; N38-E65 CarbonylContact C-O 3.41Å; N38-E65 VanDerWaalsContact C-O 3.28Å; N38-E65 WeakPolarHBondContact CA-O 3.37Å; N38-E65 PolarHBondContact N-O 2.93Å; R39-E65 HydrophobicContact CB-CB 4.32Å; R39-E65 IonicContact CZ-OE1 3.16Å; R39-E65 IonicContact CZ-OE2 3.52Å; R39-E65 PolarHBondContact N-O 3.32Å; R39-E65 VanDerWaalsContact N-O 3.15Å; R39-E65 IonicContact NE-OE1 2.85Å; R39-E65 IonicContact NE-OE2 2.92Å; R39-E65 PolarHBondContact NE-OE2 3.1Å; R39-E65 IonicContact NH2-OE1 2.69Å; R39-E65 PolarHBondContact NH2-OE1 2.67Å; R39-E65 IonicContact NH2-OE2 3.74Å; R39-E65 PolarHBondContact NH2-OE2 2.97Å; F40-E65 HydrophobicContact CD2-CB 3.93Å; F40-E65 WeakPolarHBondContact CD2-OE2 3.33Å; F40-E65 WeakPolarHBondContact CE2-OE2 3.36Å; F40-E65 PolarHBondContact N-O 3.31Å; R61-E65 VanDerWaalsContact O-CG 3.3Å; R61-E65 WeakPolarHBondContact O-CG 3.26Å; R61-E65 PolarHBondContact O-N 3.19Å; R61-E65 VanDerWaalsContact O-N 3.11Å; A62-E65 CarbonylContact O-C 3.56Å; A62-E65 WeakPolarHBondContact O-CA 3.41Å; A62-E65 PolarHBondContact O-N 2.92Å; A62-E65 VanDerWaalsContact O-N 3.13Å; A63-E65 PolarHBondContact O-N 3.2Å; A63-E65 VanDerWaalsContact O-N 3.14Å
66	G	98.4	Very high	98.4	Very high	19 Å²	19	16.1 Å²	16.1	20%	0.196	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.9	9	170	0	0	0	0	0	115.7	F40 Q41 G42 A62 A63	F40-G66 CarbonylContact O-C 3.45Å; F40-G66 VanDerWaalsContact O-O 3.12Å; Q41-G66 WeakPolarHBondContact CA-O 3.17Å; G42-G66 PolarHBondContact N-O 2.86Å; A62-G66 PolarHBondContact O-N 2.84Å; A63-G66 PolarHBondContact O-N 3.41Å
67	A	98.8	Very high	98.4	Very high	1 Å²	1	18 Å²	18	1%	0.008	9%	0.094	C	C	.	.			trans	-80	148.2	179.6	0	0	0	0	0	113.3	F40 K43 I45 A62 I69	F40-A67 HydrophobicContact CB-CB 3.64Å; F40-A67 HydrophobicContact CG-CB 4.43Å; K43-A67 CarbonylContact O-C 3.53Å; K43-A67 WeakPolarHBondContact O-CA 3.42Å; I45-A67 HydrophobicContact CD1-CB 3.99Å; I45-A67 HydrophobicContact CG1-CB 3.93Å; A62-A67 HydrophobicContact CB-CB 4.17Å; A62-A67 VanDerWaalsContact O-CB 3.27Å; A62-A67 WeakPolarHBondContact O-CB 3.22Å; A62-A67 PolarHBondContact O-N 2.94Å; A62-A67 VanDerWaalsContact O-N 3.09Å; A67-I69 HydrophobicContact CB-CD1 3.8Å
68	N	98.9	Very high	98.4	Very high	23 Å²	23	21.9 Å²	21.9	12%	0.123	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	131.7	158.4	-55.9	-44.9	0	0	0	109	K43 T44 I45 N92 F117	K43-N68 PolarHBondContact O-N 2.9Å; T44-N68 WeakPolarHBondContact CA-O 3.4Å; T44-N68 HydrophobicContact CG2-CB 4.41Å; I45-N68 PolarHBondContact N-O 3.41Å; N68-N92 HydrophobicContact CB-CB 4.46Å; N68-N92 WeakPolarHBondContact OD1-CB 3.38Å; N68-N92 PolarHBondContact OD1-ND2 3.04Å; N68-F117 HydrophobicContact CB-CB 4.35Å; N68-F117 HydrophobicContact CB-CD1 3.69Å; N68-F117 HydrophobicContact CB-CD2 3.88Å; N68-F117 HydrophobicContact CB-CE1 3.86Å; N68-F117 HydrophobicContact CB-CE2 4.02Å; N68-F117 HydrophobicContact CB-CG 3.71Å; N68-F117 HydrophobicContact CB-CZ 4.01Å
69	I	98.9	Very high	98.4	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	131.9	-173	-56.7	-57.9	0	0	0	111.2	I45 I47 A59 A62 A63 A67 I71 I86 N92 A93 I94	I45-I69 HydrophobicContact CB-CD1 4.28Å; I47-I69 HydrophobicContact CD1-CG2 4.34Å; A59-I69 HydrophobicContact CB-CG2 3.9Å; A62-I69 HydrophobicContact CB-CD1 3.64Å; A63-I69 HydrophobicContact CB-CG1 3.93Å; A67-I69 HydrophobicContact CB-CD1 3.8Å; I69-I71 HydrophobicContact CG2-CD1 4.47Å; I69-I71 HydrophobicContact CG2-CG1 3.78Å; I69-I86 HydrophobicContact CB-CD1 4.16Å; I69-I86 HydrophobicContact CG1-CD1 4.18Å; I69-I86 HydrophobicContact CG2-CD1 3.96Å; I69-N92 PolarHBondContact N-O 3.24Å; I69-A93 HydrophobicContact CB-CB 4.14Å; I69-A93 CarbonylContact O-C 3.51Å; I69-A93 WeakPolarHBondContact O-CA 3.45Å; I69-I94 PolarHBondContact O-N 3.04Å
70	V	98.9	Very high	98.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	113.6	169	-177	0	0	0	0	108.3	T44 I45 L46 I47 I94 L96 A113 F117	T44-V70 HydrophobicContact CG2-CG2 4.01Å; I45-V70 PolarHBondContact O-N 3.09Å; L46-V70 HydrophobicContact CD1-CB 3.76Å; L46-V70 HydrophobicContact CD1-CG1 3.46Å; L46-V70 VanDerWaalsContact CD1-CG1 3.46Å; I47-V70 PolarHBondContact N-O 3.35Å; V70-I94 HydrophobicContact CB-CG1 4.24Å; V70-I94 HydrophobicContact CG1-CD1 4.02Å; V70-I94 HydrophobicContact CG1-CG1 3.9Å; V70-I94 HydrophobicContact CG2-CD1 4.08Å; V70-I94 HydrophobicContact CG2-CG1 4.01Å; V70-L96 HydrophobicContact CG1-CD1 3.67Å; V70-L96 HydrophobicContact CG1-CG 4.27Å; V70-A113 HydrophobicContact CB-CB 4.34Å; V70-A113 HydrophobicContact CG1-CB 4.19Å; V70-A113 HydrophobicContact CG2-CB 3.66Å; V70-F117 HydrophobicContact CG2-CD2 3.71Å; V70-F117 HydrophobicContact CG2-CE2 3.66Å
71	I	98.9	Very high	98.4	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	113.4	179.1	-57.4	-178.3	0	0	0	108.2	I69 T82 A83 I86 I94 A95 L96	I69-I71 HydrophobicContact CG2-CD1 4.47Å; I69-I71 HydrophobicContact CG2-CG1 3.78Å; I71-T82 HydrophobicContact CD1-CG2 3.44Å; I71-T82 VanDerWaalsContact CD1-CG2 3.44Å; I71-A83 HydrophobicContact CD1-CB 4.07Å; I71-I86 HydrophobicContact CD1-CD1 4.19Å; I71-I94 PolarHBondContact N-O 3.23Å; I71-A95 HydrophobicContact CB-CB 4.39Å; I71-A95 CarbonylContact O-C 3.6Å; I71-A95 WeakPolarHBondContact O-CA 3.48Å; I71-L96 PolarHBondContact O-N 3Å
72	A	98.8	Very high	98.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	110.9	176.2	0	0	0	0	0	109.6	L46 I47 T48 G49 I98 M109	L46-A72 HydrophobicContact CD1-CB 4.08Å; I47-A72 PolarHBondContact O-N 3.13Å; T48-A72 CarbonylContact C-O 3.44Å; T48-A72 VanDerWaalsContact CA-O 3.23Å; T48-A72 WeakPolarHBondContact CA-O 3.45Å; T48-A72 HydrophobicContact CG2-CB 4.2Å; G49-A72 PolarHBondContact N-O 3.15Å; A72-I98 HydrophobicContact CB-CB 3.97Å; A72-I98 HydrophobicContact CB-CG1 3.83Å; A72-I98 HydrophobicContact CB-CG2 4.09Å; A72-M109 HydrophobicContact CB-CB 4.31Å; A72-M109 HydrophobicContact CB-SD 4.02Å
73	D	98.6	Very high	98.4	Very high	14 Å²	14	31.9 Å²	31.9	8%	0.075	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	145.2	-176.2	-155.8	-63.3	0	0	0	110.6	G49 G50 A51 L75 L96 D97 I98	G49-D73 WeakPolarHBondContact CA-OD2 3.37Å; G50-D73 PolarHBondContact N-OD2 2.95Å; A51-D73 HydrophobicContact CB-CB 3.6Å; A51-D73 WeakPolarHBondContact CB-OD2 3.4Å; A51-D73 PolarHBondContact N-OD2 3.06Å; D73-L75 PolarHBondContact O-N 3.17Å; D73-L75 WeakPolarHBondContact OD1-CB 3.26Å; D73-L75 PolarHBondContact OD1-N 3.46Å; D73-L96 PolarHBondContact N-O 2.82Å; D73-L96 VanDerWaalsContact N-O 3.08Å; D73-L96 VanDerWaalsContact O-O 3.12Å; D73-D97 WeakPolarHBondContact O-CA 3.36Å; D73-I98 CarbonylContact C-O 3.48Å; D73-I98 PolarHBondContact O-N 2.8Å; D73-I98 VanDerWaalsContact O-N 3.15Å
74	W	97.1	Very high	98.4	Very high	62 Å²	62	36.4 Å²	36.4	24%	0.235	18%	0.18	C	C	.	.	S	Bend	trans	-77.6	-8.1	174.9	70	-19.3	0	0	0	113.6	A76 I98 V129 Y134 S135	W74-A76 VanDerWaalsContact C-N 3.3Å; W74-A76 PolarHBondContact O-N 2.96Å; W74-I98 PolarHBondContact N-O 2.97Å; W74-V129 HydrophobicContact CZ2-CG1 4.39Å; W74-Y134 AromaticContact CD2-CD2 3.9Å; W74-Y134 HydrophobicContact CD2-CD2 3.9Å; W74-Y134 AromaticContact CD2-CE2 3.46Å; W74-Y134 HydrophobicContact CD2-CE2 3.46Å; W74-Y134 VanDerWaalsContact CD2-CE2 3.46Å; W74-Y134 AromaticContact CE2-CE2 3.92Å; W74-Y134 AromaticContact CE3-CD2 3.44Å; W74-Y134 HydrophobicContact CE3-CD2 3.44Å; W74-Y134 VanDerWaalsContact CE3-CD2 3.44Å; W74-Y134 AromaticContact CE3-CE2 3.32Å; W74-Y134 HydrophobicContact CE3-CE2 3.32Å; W74-Y134 HydrophobicContact CG-CE2 4.1Å; W74-Y134 AromaticContact CH2-CD2 3.52Å; W74-Y134 HydrophobicContact CH2-CD2 3.52Å; W74-Y134 HydrophobicContact CH2-CE2 4.14Å; W74-Y134 HydrophobicContact CH2-CG 4.21Å; W74-Y134 AromaticContact CZ2-CD2 3.96Å; W74-Y134 HydrophobicContact CZ2-CD2 3.96Å; W74-Y134 HydrophobicContact CZ2-CE2 4.26Å; W74-Y134 AromaticContact CZ3-CD2 3.23Å; W74-Y134 HydrophobicContact CZ3-CD2 3.23Å; W74-Y134 AromaticContact CZ3-CE2 3.68Å; W74-Y134 HydrophobicContact CZ3-CE2 3.68Å; W74-Y134 HydrophobicContact CZ3-CG 4.29Å; W74-Y134 PolarHBondContact O-OH 3.45Å; W74-Y134 VanDerWaalsContact O-OH 3.13Å; W74-S135 WeakPolarHBondContact CZ2-OG 3.45Å
75	L	97.5	Very high	98.4	Very high	17 Å²	17	36.6 Å²	36.6	9%	0.089	18%	0.183	C	C	.	.			trans	-89.7	68.1	172.2	-61.6	174.6	0	0	0	109	A51 D73 E77 K78 G79 Y134	A51-L75 HydrophobicContact CB-CB 4.15Å; D73-L75 PolarHBondContact O-N 3.17Å; D73-L75 WeakPolarHBondContact OD1-CB 3.26Å; D73-L75 PolarHBondContact OD1-N 3.46Å; L75-E77 VanDerWaalsContact C-N 3.34Å; L75-E77 PolarHBondContact O-N 2.94Å; L75-E77 VanDerWaalsContact O-N 3.16Å; L75-K78 HydrophobicContact CB-CB 4.17Å; L75-K78 HydrophobicContact CD1-CD 4.27Å; L75-K78 PolarHBondContact O-N 2.95Å; L75-G79 PolarHBondContact O-N 2.79Å; L75-Y134 HydrophobicContact CD2-CE1 4.27Å
76	A	96.8	Very high	98.4	Very high	29 Å²	29	36.5 Å²	36.5	24%	0.24	18%	0.182	C	C	.	.	H	α-helix	trans	-48.5	-47.9	-167.8	0	0	0	0	0	114.3	W74 G79 K80 D97	W74-A76 VanDerWaalsContact C-N 3.3Å; W74-A76 PolarHBondContact O-N 2.96Å; A76-G79 PolarHBondContact O-N 2.94Å; A76-K80 WeakPolarHBondContact O-CG 3.38Å; A76-K80 PolarHBondContact O-N 3.42Å; A76-D97 HydrophobicContact CB-CB 4.08Å
77	E	98	Very high	98.4	Very high	116 Å²	116	39.9 Å²	39.9	54%	0.542	20%	0.195	S	C	.	.	H	α-helix	trans	-66.3	-40.9	-178.8	-62.6	-51.4	118.9	0	0	112.6	L75 G79 K80 E81	L75-E77 VanDerWaalsContact C-N 3.34Å; L75-E77 PolarHBondContact O-N 2.94Å; L75-E77 VanDerWaalsContact O-N 3.16Å; E77-G79 VanDerWaalsContact C-N 3.31Å; E77-G79 PolarHBondContact O-N 3.46Å; E77-K80 WeakPolarHBondContact O-CB 3.4Å; E77-K80 PolarHBondContact O-N 3.15Å; E77-K80 IonicContact OE1-NZ 2.84Å; E77-K80 PolarHBondContact OE1-NZ 3Å; E77-K80 IonicContact OE2-NZ 3.93Å; E77-E81 WeakPolarHBondContact O-CG 3.44Å; E77-E81 PolarHBondContact O-N 2.93Å
78	K	98.1	Very high	98.4	Very high	84 Å²	84	44 Å²	44	37%	0.365	23%	0.229	S	C	.	.	H	α-helix	trans	-67.4	-33	174.9	-70.3	-172.5	170.5	-65.2	0	112.6	A51 L75 E81 T82	A51-K78 HydrophobicContact CB-CB 3.82Å; L75-K78 HydrophobicContact CB-CB 4.17Å; L75-K78 HydrophobicContact CD1-CD 4.27Å; L75-K78 PolarHBondContact O-N 2.95Å; K78-E81 PolarHBondContact O-N 2.88Å; K78-T82 PolarHBondContact O-N 3.3Å; K78-T82 VanDerWaalsContact O-N 3.07Å; K78-T82 PolarHBondContact O-OG1 2.83Å; K78-T82 VanDerWaalsContact O-OG1 3.13Å
79	G	98.5	Very high	98.3	Very high	3 Å²	3	47.1 Å²	47.1	3%	0.031	24%	0.244	C	C	.	.	H	α-helix	trans	-61.6	-46.7	172.3	0	0	0	0	0	111.4	L75 A76 E77 T82 A83 A95	L75-G79 PolarHBondContact O-N 2.79Å; A76-G79 PolarHBondContact O-N 2.94Å; E77-G79 VanDerWaalsContact C-N 3.31Å; E77-G79 PolarHBondContact O-N 3.46Å; G79-T82 PolarHBondContact O-N 3.47Å; G79-A83 PolarHBondContact O-N 2.86Å; G79-A95 VanDerWaalsContact C-CB 3.5Å; G79-A95 WeakPolarHBondContact O-CB 3.47Å
80	K	98.6	Very high	98.2	Very high	102 Å²	102	50.3 Å²	50.3	44%	0.443	28%	0.278	S	S	.	.	H	α-helix	trans	-62.8	-42.6	175	-67.8	170.8	-172.5	166.2	0	112.3	A76 E77 T82 A83 N84 A95	A76-K80 WeakPolarHBondContact O-CG 3.38Å; A76-K80 PolarHBondContact O-N 3.42Å; E77-K80 WeakPolarHBondContact O-CB 3.4Å; E77-K80 PolarHBondContact O-N 3.15Å; E77-K80 IonicContact OE1-NZ 2.84Å; E77-K80 PolarHBondContact OE1-NZ 3Å; E77-K80 IonicContact OE2-NZ 3.93Å; K80-T82 VanDerWaalsContact C-N 3.3Å; K80-T82 PolarHBondContact O-N 3.35Å; K80-A83 PolarHBondContact O-N 2.83Å; K80-N84 WeakPolarHBondContact O-CB 3.41Å; K80-N84 PolarHBondContact O-N 3.03Å; K80-N84 PolarHBondContact O-ND2 3.33Å; K80-A95 HydrophobicContact CG-CB 4.23Å
81	E	98.6	Very high	98.2	Very high	113 Å²	113	51 Å²	51	53%	0.528	28%	0.284	S	S	.	.	H	α-helix	trans	-54.5	-47.7	174.6	-73.9	168.5	-174.4	0	0	111.1	E77 K78 N84 E85	E77-E81 WeakPolarHBondContact O-CG 3.44Å; E77-E81 PolarHBondContact O-N 2.93Å; K78-E81 PolarHBondContact O-N 2.88Å; E81-N84 PolarHBondContact O-N 3.24Å; E81-E85 PolarHBondContact O-N 3.5Å
82	T	98.7	Very high	98.2	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.006	31%	0.307	C	S	.	.	H	α-helix	trans	-65.5	-41.7	178.8	-57.7	0	0	0	0	112.3	A51 R56 A59 I60 I71 K78 G79 K80 E85 I86	A51-T82 PolarHBondContact O-OG1 3.45Å; R56-T82 HydrophobicContact CB-CG2 4.18Å; R56-T82 WeakPolarHBondContact CD-OG1 3.4Å; R56-T82 HydrophobicContact CG-CG2 3.68Å; A59-T82 HydrophobicContact CB-CG2 4.42Å; I60-T82 HydrophobicContact CG1-CG2 4.43Å; I71-T82 HydrophobicContact CD1-CG2 3.44Å; I71-T82 VanDerWaalsContact CD1-CG2 3.44Å; K78-T82 PolarHBondContact O-N 3.3Å; K78-T82 VanDerWaalsContact O-N 3.07Å; K78-T82 PolarHBondContact O-OG1 2.83Å; K78-T82 VanDerWaalsContact O-OG1 3.13Å; G79-T82 PolarHBondContact O-N 3.47Å; K80-T82 VanDerWaalsContact C-N 3.3Å; K80-T82 PolarHBondContact O-N 3.35Å; T82-E85 PolarHBondContact O-N 2.93Å; T82-I86 HydrophobicContact CG2-CD1 4.28Å; T82-I86 WeakPolarHBondContact O-CG1 3.3Å; T82-I86 PolarHBondContact O-N 3.01Å; T82-I86 VanDerWaalsContact O-N 3.1Å
83	A	98.8	Very high	98.2	Very high	5 Å²	5	55.8 Å²	55.8	4%	0.041	31%	0.312	C	S	.	.	H	α-helix	trans	-63.3	-42.2	176.2	0	0	0	0	0	111.8	I71 G79 K80 E85 I86 I87 A93 A95	I71-A83 HydrophobicContact CD1-CB 4.07Å; G79-A83 PolarHBondContact O-N 2.86Å; K80-A83 PolarHBondContact O-N 2.83Å; A83-E85 VanDerWaalsContact C-N 3.33Å; A83-E85 PolarHBondContact O-N 2.97Å; A83-I86 WeakPolarHBondContact O-CB 3.49Å; A83-I86 PolarHBondContact O-N 3.11Å; A83-I87 VanDerWaalsContact O-CG1 3.3Å; A83-I87 WeakPolarHBondContact O-CG1 3.25Å; A83-I87 PolarHBondContact O-N 3.3Å; A83-A93 HydrophobicContact CB-CB 3.91Å; A83-A95 HydrophobicContact CB-CB 4.01Å
84	N	98.7	Very high	98.2	Very high	104 Å²	104	57.3 Å²	57.3	56%	0.556	32%	0.319	S	S	*	.	H	α-helix	trans	-63.6	-38	177.6	-72.2	-21.2	0	0	0	112.1	K80 E81 I87 A88	K80-N84 WeakPolarHBondContact O-CB 3.41Å; K80-N84 PolarHBondContact O-N 3.03Å; K80-N84 PolarHBondContact O-ND2 3.33Å; E81-N84 PolarHBondContact O-N 3.24Å; N84-I87 PolarHBondContact O-N 3.39Å; N84-A88 WeakPolarHBondContact O-CB 3.32Å; N84-A88 PolarHBondContact O-N 3Å
85	E	98.5	Very high	98.3	Very high	73 Å²	73	56 Å²	56	34%	0.341	32%	0.322	S	S	.	.	H	α-helix	trans	-64.7	-40.4	174.6	-176.5	175.6	168.9	0	0	112.1	R56 I60 E81 T82 A83 A88 I89	R56-E85 IonicContact CZ-OE1 2.74Å; R56-E85 IonicContact CZ-OE2 2.67Å; R56-E85 IonicContact NE-OE2 3.69Å; R56-E85 IonicContact NH2-OE1 3.85Å; R56-E85 PolarHBondContact NH2-OE1 3.06Å; R56-E85 IonicContact NH2-OE2 2.71Å; R56-E85 PolarHBondContact NH2-OE2 2.97Å; I60-E85 HydrophobicContact CD1-CG 4.49Å; I60-E85 WeakPolarHBondContact CD1-OE1 3.44Å; E81-E85 PolarHBondContact O-N 3.5Å; T82-E85 PolarHBondContact O-N 2.93Å; A83-E85 VanDerWaalsContact C-N 3.33Å; A83-E85 PolarHBondContact O-N 2.97Å; E85-A88 PolarHBondContact O-N 3.22Å; E85-I89 PolarHBondContact O-N 3.4Å
86	I	98.7	Very high	98.3	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-61.8	-44.5	173.3	-71.1	164.5	0	0	0	111	A59 I60 A63 I69 I71 T82 A83 A88 I89 G90 G91 A93	A59-I86 HydrophobicContact CB-CD1 4Å; I60-I86 HydrophobicContact CG1-CG1 4.14Å; A63-I86 HydrophobicContact CB-CB 4.33Å; A63-I86 HydrophobicContact CB-CD1 4.45Å; A63-I86 HydrophobicContact CB-CG1 4.07Å; A63-I86 HydrophobicContact CB-CG2 3.45Å; A63-I86 VanDerWaalsContact CB-CG2 3.45Å; I69-I86 HydrophobicContact CB-CD1 4.16Å; I69-I86 HydrophobicContact CG1-CD1 4.18Å; I69-I86 HydrophobicContact CG2-CD1 3.96Å; I71-I86 HydrophobicContact CD1-CD1 4.19Å; T82-I86 HydrophobicContact CG2-CD1 4.28Å; T82-I86 WeakPolarHBondContact O-CG1 3.3Å; T82-I86 PolarHBondContact O-N 3.01Å; T82-I86 VanDerWaalsContact O-N 3.1Å; A83-I86 WeakPolarHBondContact O-CB 3.49Å; A83-I86 PolarHBondContact O-N 3.11Å; I86-A88 VanDerWaalsContact C-N 3.32Å; I86-A88 PolarHBondContact O-N 3.1Å; I86-I89 WeakPolarHBondContact O-CG1 3.49Å; I86-I89 PolarHBondContact O-N 3.3Å; I86-G90 PolarHBondContact O-N 3.39Å; I86-G91 WeakPolarHBondContact O-CA 3.2Å; I86-G91 PolarHBondContact O-N 2.62Å; I86-A93 HydrophobicContact CB-CB 3.9Å; I86-A93 HydrophobicContact CD1-CB 4.08Å; I86-A93 HydrophobicContact CG2-CB 3.68Å
87	I	98.7	Very high	98.4	Very high	90 Å²	90	59.3 Å²	59.3	46%	0.462	34%	0.335	S	S	.	.	H	α-helix	trans	-64.2	-39.4	177.7	-66.9	162	0	0	0	110.8	A83 N84 I89 G90 G91	A83-I87 VanDerWaalsContact O-CG1 3.3Å; A83-I87 WeakPolarHBondContact O-CG1 3.25Å; A83-I87 PolarHBondContact O-N 3.3Å; N84-I87 PolarHBondContact O-N 3.39Å; I87-I89 PolarHBondContact O-N 3.5Å; I87-G90 WeakPolarHBondContact O-CA 3.34Å; I87-G90 PolarHBondContact O-N 3.33Å; I87-G91 WeakPolarHBondContact CA-O 3.33Å
88	A	98.4	Very high	98.4	Very high	88 Å²	88	53.9 Å²	53.9	73%	0.727	31%	0.31	S	S	*	.	H	α-helix	trans	-63.4	-28.2	179	0	0	0	0	0	113.2	N84 E85 I86 G90	N84-A88 WeakPolarHBondContact O-CB 3.32Å; N84-A88 PolarHBondContact O-N 3Å; E85-A88 PolarHBondContact O-N 3.22Å; I86-A88 VanDerWaalsContact C-N 3.32Å; I86-A88 PolarHBondContact O-N 3.1Å; A88-G90 VanDerWaalsContact C-N 3.31Å
89	I	96.5	Very high	98.4	Very high	87 Å²	87	51.6 Å²	51.6	45%	0.446	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	8.8	173	66.5	169.3	0	0	0	113.3	I60 K64 E85 I86 I87	I60-I89 HydrophobicContact CG2-CD1 4.45Å; K64-I89 HydrophobicContact CG-CD1 3.7Å; E85-I89 PolarHBondContact O-N 3.4Å; I86-I89 WeakPolarHBondContact O-CG1 3.49Å; I86-I89 PolarHBondContact O-N 3.3Å; I87-I89 PolarHBondContact O-N 3.5Å
90	G	97.6	Very high	98.4	Very high	68 Å²	68	52 Å²	52	70%	0.701	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.1	10	177.6	0	0	0	0	0	115.4	I86 I87 A88	I86-G90 PolarHBondContact O-N 3.39Å; I87-G90 WeakPolarHBondContact O-CA 3.34Å; I87-G90 PolarHBondContact O-N 3.33Å; A88-G90 VanDerWaalsContact C-N 3.31Å
91	G	98.2	Very high	98.4	Very high	13 Å²	13	48.6 Å²	48.6	13%	0.134	29%	0.293	C	S	.	.			trans	-84.5	170.9	175.1	0	0	0	0	0	113.4	I86 I87	I86-G91 WeakPolarHBondContact O-CA 3.2Å; I86-G91 PolarHBondContact O-N 2.62Å; I87-G91 WeakPolarHBondContact CA-O 3.33Å
92	N	98.6	Very high	98.4	Very high	90 Å²	90	48.3 Å²	48.3	48%	0.481	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	123.7	175.7	-59.5	-56.9	0	0	0	109.9	N68 I69 F117	N68-N92 HydrophobicContact CB-CB 4.46Å; N68-N92 WeakPolarHBondContact OD1-CB 3.38Å; N68-N92 PolarHBondContact OD1-ND2 3.04Å; I69-N92 PolarHBondContact N-O 3.24Å; N92-F117 HydrophobicContact CB-CE1 3.96Å; N92-F117 HydrophobicContact CB-CZ 4.29Å
93	A	98.8	Very high	98.4	Very high	13 Å²	13	50.1 Å²	50.1	11%	0.107	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	148.3	177	0	0	0	0	0	113.3	I69 A83 I86	I69-A93 HydrophobicContact CB-CB 4.14Å; I69-A93 CarbonylContact O-C 3.51Å; I69-A93 WeakPolarHBondContact O-CA 3.45Å; A83-A93 HydrophobicContact CB-CB 3.91Å; I86-A93 HydrophobicContact CB-CB 3.9Å; I86-A93 HydrophobicContact CD1-CB 4.08Å; I86-A93 HydrophobicContact CG2-CB 3.68Å
94	I	98.8	Very high	98.4	Very high	45 Å²	45	55.9 Å²	55.9	23%	0.231	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	152.5	163	69.3	178	0	0	0	109.5	I69 V70 I71 L96 A116 F117	I69-I94 PolarHBondContact O-N 3.04Å; V70-I94 HydrophobicContact CB-CG1 4.24Å; V70-I94 HydrophobicContact CG1-CD1 4.02Å; V70-I94 HydrophobicContact CG1-CG1 3.9Å; V70-I94 HydrophobicContact CG2-CD1 4.08Å; V70-I94 HydrophobicContact CG2-CG1 4.01Å; I71-I94 PolarHBondContact N-O 3.23Å; I94-L96 HydrophobicContact CD1-CD1 4.47Å; I94-L96 HydrophobicContact CD1-CD2 4.24Å; I94-L96 HydrophobicContact CD1-CG 4.43Å; I94-A116 HydrophobicContact CD1-CB 3.7Å; I94-A116 HydrophobicContact CG2-CB 4.18Å; I94-F117 HydrophobicContact CD1-CE2 4.4Å; I94-F117 HydrophobicContact CG1-CE2 4.18Å; I94-F117 HydrophobicContact CG2-CE2 4.31Å; I94-F117 HydrophobicContact CG2-CZ 4.09Å
95	A	98.8	Very high	98.4	Very high	34 Å²	34	52 Å²	52	28%	0.281	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	134.4	173.6	0	0	0	0	0	110.7	I71 G79 K80 A83	I71-A95 HydrophobicContact CB-CB 4.39Å; I71-A95 CarbonylContact O-C 3.6Å; I71-A95 WeakPolarHBondContact O-CA 3.48Å; G79-A95 VanDerWaalsContact C-CB 3.5Å; G79-A95 WeakPolarHBondContact O-CB 3.47Å; K80-A95 HydrophobicContact CG-CB 4.23Å; A83-A95 HydrophobicContact CB-CB 4.01Å
96	L	98.8	Very high	98.4	Very high	23 Å²	23	48.5 Å²	48.5	12%	0.12	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	128	-176.8	-54.6	177.7	0	0	0	109.3	V70 I71 D73 I94 I98 M109 E112	V70-L96 HydrophobicContact CG1-CD1 3.67Å; V70-L96 HydrophobicContact CG1-CG 4.27Å; I71-L96 PolarHBondContact O-N 3Å; D73-L96 PolarHBondContact N-O 2.82Å; D73-L96 VanDerWaalsContact N-O 3.08Å; D73-L96 VanDerWaalsContact O-O 3.12Å; I94-L96 HydrophobicContact CD1-CD1 4.47Å; I94-L96 HydrophobicContact CD1-CD2 4.24Å; I94-L96 HydrophobicContact CD1-CG 4.43Å; L96-I98 HydrophobicContact CB-CD1 4.15Å; L96-I98 HydrophobicContact CB-CG1 3.62Å; L96-I98 PolarHBondContact O-N 3.34Å; L96-M109 HydrophobicContact CD1-CB 4.07Å; L96-E112 HydrophobicContact CD1-CB 3.75Å; L96-E112 HydrophobicContact CD1-CG 4.46Å; L96-E112 HydrophobicContact CD2-CB 3.95Å; L96-E112 HydrophobicContact CD2-CG 4.26Å
97	D	98.2	Very high	98.4	Very high	93 Å²	93	52.7 Å²	52.7	50%	0.497	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	108.1	168.2	180	12.6	0	0	0	109	D73 A76 R108	D73-D97 WeakPolarHBondContact O-CA 3.36Å; A76-D97 HydrophobicContact CB-CB 4.08Å; D97-R108 PolarHBondContact O-NH1 2.85Å; D97-R108 VanDerWaalsContact O-NH1 3.17Å; D97-R108 PolarHBondContact O-NH2 3.35Å
98	I	98.5	Very high	98.4	Very high	3 Å²	3	52.8 Å²	52.8	2%	0.015	30%	0.304	C	S	.	.			trans	-137.5	124.3	-169.1	-65.1	-64.1	0	0	0	110.4	A72 D73 W74 L96 V100 D105 M109	A72-I98 HydrophobicContact CB-CB 3.97Å; A72-I98 HydrophobicContact CB-CG1 3.83Å; A72-I98 HydrophobicContact CB-CG2 4.09Å; D73-I98 CarbonylContact C-O 3.48Å; D73-I98 PolarHBondContact O-N 2.8Å; D73-I98 VanDerWaalsContact O-N 3.15Å; W74-I98 PolarHBondContact N-O 2.97Å; L96-I98 HydrophobicContact CB-CD1 4.15Å; L96-I98 HydrophobicContact CB-CG1 3.62Å; L96-I98 PolarHBondContact O-N 3.34Å; I98-V100 HydrophobicContact CG2-CG1 4.21Å; I98-D105 HydrophobicContact CD1-CB 4.26Å; I98-D105 HydrophobicContact CG2-CB 4.19Å; I98-M109 HydrophobicContact CD1-CB 3.72Å; I98-M109 HydrophobicContact CG1-CB 3.95Å; I98-M109 HydrophobicContact CG2-SD 3.98Å
99	N	98.3	Very high	98.4	Very high	36 Å²	36	48.6 Å²	48.6	19%	0.193	27%	0.27	C	S	.	.			trans	-100.2	103.5	164.6	-178.1	-10.8	0	0	0	110	S101 K102 D105	N99-S101 PolarHBondContact ND2-OG 3.23Å; N99-S101 PolarHBondContact O-N 3.22Å; N99-S101 WeakPolarHBondContact OD1-CB 3.3Å; N99-S101 PolarHBondContact OD1-N 2.84Å; N99-S101 PolarHBondContact OD1-OG 2.91Å; N99-K102 HydrophobicContact CB-CD 4.31Å; N99-K102 HydrophobicContact CB-CG 4.38Å; N99-K102 PolarHBondContact O-N 3.46Å; N99-D105 WeakPolarHBondContact CB-OD2 3.38Å; N99-D105 PolarHBondContact N-OD2 3.47Å; N99-D105 WeakPolarHBondContact O-CB 3.17Å
100	V	98.5	Very high	98.5	Very high	10 Å²	10	45 Å²	45	6%	0.061	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-20.4	-179	-62.7	0	0	0	0	114.1	T48 I98 K102 A127 V166 G170	T48-V100 HydrophobicContact CG2-CG1 3.87Å; I98-V100 HydrophobicContact CG2-CG1 4.21Å; V100-K102 PolarHBondContact O-N 3.28Å; V100-A127 HydrophobicContact CG1-CB 3.9Å; V100-A127 HydrophobicContact CG2-CB 3.85Å; V100-V166 HydrophobicContact CG2-CG1 4.17Å; V100-G170 VanDerWaalsContact O-CA 3.29Å; V100-G170 WeakPolarHBondContact O-CA 3.27Å
101	S	98.2	Very high	98.6	Very high	32 Å²	32	46.4 Å²	46.4	22%	0.224	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-17	175.5	69.3	0	0	0	0	113.3	N99 K173	N99-S101 PolarHBondContact ND2-OG 3.23Å; N99-S101 PolarHBondContact O-N 3.22Å; N99-S101 WeakPolarHBondContact OD1-CB 3.3Å; N99-S101 PolarHBondContact OD1-N 2.84Å; N99-S101 PolarHBondContact OD1-OG 2.91Å; S101-K173 WeakPolarHBondContact O-CD 3.3Å; S101-K173 WeakPolarHBondContact O-CE 3.32Å; S101-K173 PolarHBondContact O-NZ 3.45Å
102	K	98.6	Very high	98.6	Very high	107 Å²	107	49.4 Å²	49.4	47%	0.465	25%	0.25	S	S	.	.	S	Bend	trans	-98.6	138.9	-178.8	-61.2	-177.5	179.9	177.2	0	111.9	N99 V100 D105 A106	N99-K102 HydrophobicContact CB-CD 4.31Å; N99-K102 HydrophobicContact CB-CG 4.38Å; N99-K102 PolarHBondContact O-N 3.46Å; V100-K102 PolarHBondContact O-N 3.28Å; K102-D105 HydrophobicContact CB-CB 4.13Å; K102-A106 PolarHBondContact O-N 2.85Å
103	T	98.5	Very high	98.6	Very high	38 Å²	38	45.1 Å²	45.1	23%	0.233	23%	0.227	C	C	.	.	H	α-helix	trans	-67.5	-42.8	-179.8	-72.4	0	0	0	0	111.1	D105 A106 E107 R176	T103-D105 VanDerWaalsContact C-N 3.27Å; T103-D105 PolarHBondContact O-N 2.93Å; T103-A106 PolarHBondContact O-N 3.3Å; T103-E107 PolarHBondContact O-N 2.97Å; T103-R176 PolarHBondContact OG1-NH2 3.25Å
104	E	98.7	Very high	98.6	Very high	126 Å²	126	45.8 Å²	45.8	59%	0.589	23%	0.23	S	C	*	.	H	α-helix	trans	-66.1	-35.9	-174.1	-56.8	68.6	-143.9	0	0	110.3	E107 R108	E104-E107 PolarHBondContact O-N 3.41Å; E104-R108 WeakPolarHBondContact O-CB 3.29Å; E104-R108 PolarHBondContact O-N 3.18Å
105	D	98.7	Very high	98.6	Very high	22 Å²	22	48.3 Å²	48.3	12%	0.118	24%	0.244	C	C	.	.	H	α-helix	trans	-69.6	-39.9	175.1	-78.1	-8.5	0	0	0	111.9	I98 N99 K102 T103 E107 R108 M109	I98-D105 HydrophobicContact CD1-CB 4.26Å; I98-D105 HydrophobicContact CG2-CB 4.19Å; N99-D105 WeakPolarHBondContact CB-OD2 3.38Å; N99-D105 PolarHBondContact N-OD2 3.47Å; N99-D105 WeakPolarHBondContact O-CB 3.17Å; K102-D105 HydrophobicContact CB-CB 4.13Å; T103-D105 VanDerWaalsContact C-N 3.27Å; T103-D105 PolarHBondContact O-N 2.93Å; D105-E107 VanDerWaalsContact C-N 3.33Å; D105-E107 PolarHBondContact O-N 3.27Å; D105-R108 PolarHBondContact O-N 3.23Å; D105-R108 IonicContact OD1-CZ 3.25Å; D105-R108 IonicContact OD1-NE 3.13Å; D105-R108 IonicContact OD1-NH2 2.87Å; D105-R108 PolarHBondContact OD1-NH2 3.29Å; D105-R108 IonicContact OD2-NH2 2.79Å; D105-M109 WeakPolarHBondContact O-CG 3.24Å; D105-M109 PolarHBondContact O-N 3.31Å
106	A	98.7	Very high	98.6	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-64	-37.2	175.2	0	0	0	0	0	112.4	K102 T103 M109 K173 A177	K102-A106 PolarHBondContact O-N 2.85Å; T103-A106 PolarHBondContact O-N 3.3Å; A106-M109 HydrophobicContact CB-CE 4.03Å; A106-M109 WeakPolarHBondContact O-CG 3.39Å; A106-K173 HydrophobicContact CB-CB 3.93Å; A106-A177 HydrophobicContact CB-CB 4.3Å; A106-A177 VanDerWaalsContact O-CB 3.23Å; A106-A177 WeakPolarHBondContact O-CB 3.43Å
107	E	98.7	Very high	98.6	Very high	89 Å²	89	50.1 Å²	50.1	42%	0.416	25%	0.254	S	S	.	.	H	α-helix	trans	-72	-41.4	174.6	-67.7	-179.6	163.5	0	0	111.5	T103 E104 D105 V110 Q111 K180	T103-E107 PolarHBondContact O-N 2.97Å; E104-E107 PolarHBondContact O-N 3.41Å; D105-E107 VanDerWaalsContact C-N 3.33Å; D105-E107 PolarHBondContact O-N 3.27Å; E107-V110 PolarHBondContact O-N 3.46Å; E107-Q111 PolarHBondContact O-N 2.74Å; E107-K180 IonicContact OE1-NZ 3.08Å
108	R	98.7	Very high	98.6	Very high	92 Å²	92	48.3 Å²	48.3	35%	0.347	26%	0.257	S	S	.	.	H	α-helix	trans	-63	-44.9	178.1	-178.9	169.3	57.9	87.3	-5	112.5	D97 E104 D105 V110 Q111 E112	D97-R108 PolarHBondContact O-NH1 2.85Å; D97-R108 VanDerWaalsContact O-NH1 3.17Å; D97-R108 PolarHBondContact O-NH2 3.35Å; E104-R108 WeakPolarHBondContact O-CB 3.29Å; E104-R108 PolarHBondContact O-N 3.18Å; D105-R108 PolarHBondContact O-N 3.23Å; D105-R108 IonicContact OD1-CZ 3.25Å; D105-R108 IonicContact OD1-NE 3.13Å; D105-R108 IonicContact OD1-NH2 2.87Å; D105-R108 PolarHBondContact OD1-NH2 3.29Å; D105-R108 IonicContact OD2-NH2 2.79Å; R108-V110 PolarHBondContact O-N 3.47Å; R108-Q111 PolarHBondContact O-N 2.97Å; R108-E112 HydrophobicContact CG-CG 4.08Å; R108-E112 WeakPolarHBondContact O-CG 3.04Å; R108-E112 PolarHBondContact O-N 2.85Å
109	M	98.6	Very high	98.6	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-60.2	-35.8	179.4	65.8	-177.4	-175.1	0	0	112.3	L46 T48 A72 L96 I98 D105 A106 A113 S174	L46-M109 HydrophobicContact CD1-CB 4.37Å; L46-M109 HydrophobicContact CD1-CG 4.49Å; L46-M109 HydrophobicContact CD1-SD 4.47Å; L46-M109 HydrophobicContact CD2-CE 4.09Å; L46-M109 HydrophobicContact CD2-CG 4.02Å; L46-M109 HydrophobicContact CD2-SD 4.1Å; T48-M109 HydrophobicContact CG2-CE 4.04Å; T48-M109 HydrophobicContact CG2-SD 3.78Å; A72-M109 HydrophobicContact CB-CB 4.31Å; A72-M109 HydrophobicContact CB-SD 4.02Å; L96-M109 HydrophobicContact CD1-CB 4.07Å; I98-M109 HydrophobicContact CD1-CB 3.72Å; I98-M109 HydrophobicContact CG1-CB 3.95Å; I98-M109 HydrophobicContact CG2-SD 3.98Å; D105-M109 WeakPolarHBondContact O-CG 3.24Å; D105-M109 PolarHBondContact O-N 3.31Å; A106-M109 HydrophobicContact CB-CE 4.03Å; A106-M109 WeakPolarHBondContact O-CG 3.39Å; M109-A113 VanDerWaalsContact O-CB 3.31Å; M109-A113 WeakPolarHBondContact O-CB 3.5Å; M109-A113 PolarHBondContact O-N 3.36Å; M109-A113 VanDerWaalsContact O-N 3.08Å; M109-S174 WeakPolarHBondContact CE-OG 3.46Å
110	V	98.9	Very high	98.6	Very high	10 Å²	10	49.7 Å²	49.7	6%	0.061	26%	0.259	C	S	.	.	H	α-helix	trans	-70.8	-44.6	176.7	168.3	0	0	0	0	111	L46 E107 R108 E112 A113 V114 I120 A177 E178 Q181	L46-V110 HydrophobicContact CD2-CG2 4.03Å; E107-V110 PolarHBondContact O-N 3.46Å; R108-V110 PolarHBondContact O-N 3.47Å; V110-E112 PolarHBondContact O-N 3.4Å; V110-A113 PolarHBondContact O-N 3.42Å; V110-V114 VanDerWaalsContact O-CG2 3.29Å; V110-V114 WeakPolarHBondContact O-CG2 3.16Å; V110-V114 PolarHBondContact O-N 3.49Å; V110-V114 VanDerWaalsContact O-N 3.07Å; V110-I120 HydrophobicContact CB-CD1 4.02Å; V110-I120 HydrophobicContact CG1-CD1 3.79Å; V110-I120 HydrophobicContact CG2-CD1 3.88Å; V110-A177 HydrophobicContact CB-CB 4.46Å; V110-A177 HydrophobicContact CG2-CB 3.76Å; V110-E178 HydrophobicContact CG2-CG 4.32Å; V110-Q181 HydrophobicContact CG1-CB 3.5Å; V110-Q181 VanDerWaalsContact CG1-CB 3.5Å; V110-Q181 HydrophobicContact CG1-CG 3.81Å
111	Q	98.7	Very high	98.6	Very high	99 Å²	99	49.5 Å²	49.5	46%	0.463	26%	0.258	S	S	.	.	H	α-helix	trans	-61.4	-44.3	177.8	-175.8	59.3	58.8	0	0	111.9	E107 R108 V114 N115	E107-Q111 PolarHBondContact O-N 2.74Å; R108-Q111 PolarHBondContact O-N 2.97Å; Q111-V114 PolarHBondContact O-N 2.87Å; Q111-N115 PolarHBondContact NE2-OD1 3.16Å; Q111-N115 PolarHBondContact O-N 3.15Å; Q111-N115 PolarHBondContact O-ND2 3.24Å; Q111-N115 PolarHBondContact O-OD1 2.92Å
112	E	98.8	Very high	98.7	Very high	75 Å²	75	48.8 Å²	48.8	35%	0.35	25%	0.25	S	S	.	.	H	α-helix	trans	-68.9	-36.8	179.8	-65.1	-68.5	-170.6	0	0	112.4	L96 R108 V110 V114 N115 A116	L96-E112 HydrophobicContact CD1-CB 3.75Å; L96-E112 HydrophobicContact CD1-CG 4.46Å; L96-E112 HydrophobicContact CD2-CB 3.95Å; L96-E112 HydrophobicContact CD2-CG 4.26Å; R108-E112 HydrophobicContact CG-CG 4.08Å; R108-E112 WeakPolarHBondContact O-CG 3.04Å; R108-E112 PolarHBondContact O-N 2.85Å; V110-E112 PolarHBondContact O-N 3.4Å; E112-V114 VanDerWaalsContact C-N 3.32Å; E112-V114 PolarHBondContact O-N 3.25Å; E112-N115 PolarHBondContact O-N 3.45Å; E112-N115 PolarHBondContact OE2-ND2 3.09Å; E112-A116 WeakPolarHBondContact O-CB 3.43Å; E112-A116 PolarHBondContact O-N 2.64Å
113	A	98.8	Very high	98.7	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-58.6	-44.5	171.3	0	0	0	0	0	111.9	V70 M109 V110 A116 F117 I120	V70-A113 HydrophobicContact CB-CB 4.34Å; V70-A113 HydrophobicContact CG1-CB 4.19Å; V70-A113 HydrophobicContact CG2-CB 3.66Å; M109-A113 VanDerWaalsContact O-CB 3.31Å; M109-A113 WeakPolarHBondContact O-CB 3.5Å; M109-A113 PolarHBondContact O-N 3.36Å; M109-A113 VanDerWaalsContact O-N 3.08Å; V110-A113 PolarHBondContact O-N 3.42Å; A113-A116 PolarHBondContact O-N 2.75Å; A113-F117 PolarHBondContact O-N 2.89Å; A113-I120 HydrophobicContact CB-CD1 3.71Å; A113-I120 HydrophobicContact CB-CG1 3.72Å
114	V	98.7	Very high	98.7	Very high	27 Å²	27	41.9 Å²	41.9	16%	0.164	22%	0.217	C	C	.	.	H	α-helix	trans	-68.6	-37.7	177.3	174.3	0	0	0	0	111.3	V110 Q111 E112 A116 G118 I120 Q181	V110-V114 VanDerWaalsContact O-CG2 3.29Å; V110-V114 WeakPolarHBondContact O-CG2 3.16Å; V110-V114 PolarHBondContact O-N 3.49Å; V110-V114 VanDerWaalsContact O-N 3.07Å; Q111-V114 PolarHBondContact O-N 2.87Å; E112-V114 VanDerWaalsContact C-N 3.32Å; E112-V114 PolarHBondContact O-N 3.25Å; V114-A116 VanDerWaalsContact C-N 3.35Å; V114-G118 WeakPolarHBondContact O-CA 3.37Å; V114-G118 PolarHBondContact O-N 3.24Å; V114-I120 HydrophobicContact CG2-CG1 4.41Å; V114-Q181 HydrophobicContact CG2-CG 3.82Å
115	N	98.7	Very high	98.7	Very high	99 Å²	99	35.9 Å²	35.9	53%	0.529	19%	0.189	S	C	.	.	H	α-helix	trans	-62.8	-42.5	175.7	-68.4	-17.2	0	0	0	111.6	Q111 E112	Q111-N115 PolarHBondContact NE2-OD1 3.16Å; Q111-N115 PolarHBondContact O-N 3.15Å; Q111-N115 PolarHBondContact O-ND2 3.24Å; Q111-N115 PolarHBondContact O-OD1 2.92Å; E112-N115 PolarHBondContact O-N 3.45Å; E112-N115 PolarHBondContact OE2-ND2 3.09Å
116	A	98.6	Very high	98.7	Very high	49 Å²	49	35.7 Å²	35.7	41%	0.405	19%	0.191	S	C	.	.	H	α-helix	trans	-78	-40.6	-176.3	0	0	0	0	0	113.4	I94 E112 A113 V114	I94-A116 HydrophobicContact CD1-CB 3.7Å; I94-A116 HydrophobicContact CG2-CB 4.18Å; E112-A116 WeakPolarHBondContact O-CB 3.43Å; E112-A116 PolarHBondContact O-N 2.64Å; A113-A116 PolarHBondContact O-N 2.75Å; V114-A116 VanDerWaalsContact C-N 3.35Å
117	F	98.6	Very high	98.7	Very high	46 Å²	46	36.6 Å²	36.6	20%	0.202	20%	0.198	C	C	.	.	H	α-helix	trans	-125.3	2.3	-169.8	-56.7	-56.5	0	0	0	114.3	T44 N68 V70 N92 I94 A113 R119	T44-F117 HydrophobicContact CG2-CB 4.07Å; T44-F117 HydrophobicContact CG2-CD2 3.78Å; T44-F117 HydrophobicContact CG2-CG 4.29Å; T44-F117 VanDerWaalsContact OG1-CB 3.29Å; T44-F117 WeakPolarHBondContact OG1-CB 3.27Å; N68-F117 HydrophobicContact CB-CB 4.35Å; N68-F117 HydrophobicContact CB-CD1 3.69Å; N68-F117 HydrophobicContact CB-CD2 3.88Å; N68-F117 HydrophobicContact CB-CE1 3.86Å; N68-F117 HydrophobicContact CB-CE2 4.02Å; N68-F117 HydrophobicContact CB-CG 3.71Å; N68-F117 HydrophobicContact CB-CZ 4.01Å; V70-F117 HydrophobicContact CG2-CD2 3.71Å; V70-F117 HydrophobicContact CG2-CE2 3.66Å; N92-F117 HydrophobicContact CB-CE1 3.96Å; N92-F117 HydrophobicContact CB-CZ 4.29Å; I94-F117 HydrophobicContact CD1-CE2 4.4Å; I94-F117 HydrophobicContact CG1-CE2 4.18Å; I94-F117 HydrophobicContact CG2-CE2 4.31Å; I94-F117 HydrophobicContact CG2-CZ 4.09Å; A113-F117 PolarHBondContact O-N 2.89Å; F117-R119 PolarHBondContact O-N 3.02Å
118	G	98.4	Very high	98.6	Very high	54 Å²	54	33 Å²	33	56%	0.557	18%	0.184	S	C	*	.	S	Bend	trans	79.6	-15.2	176.4	0	0	0	0	0	115.5	V114	V114-G118 WeakPolarHBondContact O-CA 3.37Å; V114-G118 PolarHBondContact O-N 3.24Å
119	R	98.4	Very high	98.5	Very high	68 Å²	68	29 Å²	29	26%	0.257	17%	0.17	S	C	.	.			trans	-162.7	166.4	-172.3	63.3	-166.5	-66.7	129.8	4.5	113	T44 F117 D121 Q185	T44-R119 WeakPolarHBondContact CB-O 3.23Å; T44-R119 VanDerWaalsContact CG2-O 3.3Å; T44-R119 WeakPolarHBondContact CG2-O 3.25Å; T44-R119 PolarHBondContact OG1-O 2.95Å; F117-R119 PolarHBondContact O-N 3.02Å; R119-D121 WeakPolarHBondContact CD-OD2 3.17Å; R119-D121 IonicContact CZ-OD1 3.74Å; R119-D121 VanDerWaalsContact NE-CG 3.27Å; R119-D121 IonicContact NE-OD1 2.57Å; R119-D121 PolarHBondContact NE-OD1 3.07Å; R119-D121 IonicContact NE-OD2 3.57Å; R119-D121 PolarHBondContact NE-OD2 2.92Å; R119-D121 IonicContact NH2-OD1 3.35Å; R119-D121 PolarHBondContact NH2-OD1 3.41Å; R119-Q185 VanDerWaalsContact CA-OE1 3.25Å
120	I	98.7	Very high	98.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.172	C	C	.	.			trans	-124.9	119.7	161.4	-56.5	176.8	0	0	0	107.9	L46 V110 A113 V114 Y122 M182 Q185	L46-I120 HydrophobicContact CB-CD1 4.47Å; L46-I120 HydrophobicContact CB-CG2 4.15Å; L46-I120 HydrophobicContact CD2-CD1 4.05Å; V110-I120 HydrophobicContact CB-CD1 4.02Å; V110-I120 HydrophobicContact CG1-CD1 3.79Å; V110-I120 HydrophobicContact CG2-CD1 3.88Å; A113-I120 HydrophobicContact CB-CD1 3.71Å; A113-I120 HydrophobicContact CB-CG1 3.72Å; V114-I120 HydrophobicContact CG2-CG1 4.41Å; I120-Y122 WeakPolarHBondContact CG2-O 3.33Å; I120-M182 HydrophobicContact CG2-CE 4.05Å; I120-Q185 PolarHBondContact O-NE2 2.98Å
121	D	98.9	Very high	98.1	Very high	6 Å²	6	28.9 Å²	28.9	3%	0.032	17%	0.17	C	C	.	.			trans	-95.4	-36	177	-63.6	-83.5	0	0	0	111.3	K43 T44 R119 M182 G189 A190	K43-D121 WeakPolarHBondContact CA-OD2 3.39Å; K43-D121 HydrophobicContact CB-CB 4.15Å; K43-D121 HydrophobicContact CD-CB 3.96Å; K43-D121 VanDerWaalsContact CD-CG 3.46Å; K43-D121 WeakPolarHBondContact CD-OD1 3.42Å; K43-D121 IonicContact NZ-OD1 3.68Å; T44-D121 PolarHBondContact N-OD2 2.86Å; T44-D121 PolarHBondContact O-N 3.48Å; R119-D121 WeakPolarHBondContact CD-OD2 3.17Å; R119-D121 IonicContact CZ-OD1 3.74Å; R119-D121 VanDerWaalsContact NE-CG 3.27Å; R119-D121 IonicContact NE-OD1 2.57Å; R119-D121 PolarHBondContact NE-OD1 3.07Å; R119-D121 IonicContact NE-OD2 3.57Å; R119-D121 PolarHBondContact NE-OD2 2.92Å; R119-D121 IonicContact NH2-OD1 3.35Å; R119-D121 PolarHBondContact NH2-OD1 3.41Å; D121-M182 WeakPolarHBondContact O-CE 3.34Å; D121-G189 WeakPolarHBondContact O-CA 3.23Å; D121-A190 PolarHBondContact O-N 3.21Å
122	Y	98.9	Very high	97.9	Very high	17 Å²	17	24.4 Å²	24.4	7%	0.067	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	150.7	-171.9	-54.7	-55.9	0	0	0	111.5	F40 K43 T44 I45 L46 I120 A190 L297	F40-Y122 AromaticContact CD1-CD2 3.95Å; F40-Y122 HydrophobicContact CD1-CD2 3.95Å; F40-Y122 AromaticContact CD1-CE2 3.58Å; F40-Y122 HydrophobicContact CD1-CE2 3.58Å; F40-Y122 HydrophobicContact CE1-CD2 4.23Å; F40-Y122 AromaticContact CE1-CE2 3.98Å; F40-Y122 HydrophobicContact CE1-CE2 3.98Å; K43-Y122 HydrophobicContact CB-CD2 4.05Å; K43-Y122 HydrophobicContact CB-CE2 3.62Å; K43-Y122 HydrophobicContact CD-CE2 4.15Å; K43-Y122 HydrophobicContact CG-CE2 3.8Å; T44-Y122 PolarHBondContact O-N 3.32Å; I45-Y122 WeakPolarHBondContact CA-O 3.44Å; I45-Y122 HydrophobicContact CD1-CD2 4.25Å; I45-Y122 HydrophobicContact CG1-CD2 4Å; I45-Y122 HydrophobicContact CG1-CG 4.5Å; L46-Y122 PolarHBondContact N-O 3.49Å; I120-Y122 WeakPolarHBondContact CG2-O 3.33Å; Y122-A190 CarbonylContact C-O 3.44Å; Y122-A190 WeakPolarHBondContact CA-O 3.22Å; Y122-A190 HydrophobicContact CD1-CB 3.76Å; Y122-A190 HydrophobicContact CE1-CB 4.06Å; Y122-L297 HydrophobicContact CD1-CB 4.35Å; Y122-L297 HydrophobicContact CD1-CD2 4.4Å; Y122-L297 VanDerWaalsContact CE1-O 3.25Å; Y122-L297 WeakPolarHBondContact CE1-O 3.34Å; Y122-L297 HydrophobicContact CG-CB 4.39Å; Y122-L297 HydrophobicContact CG-CD2 4.48Å
123	A	99	Very high	97.7	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	145.1	171.4	0	0	0	0	0	112.6	L46 E178 M182 A190 I191 V192	L46-A123 CarbonylContact O-C 3.23Å; L46-A123 VanDerWaalsContact O-CA 3.22Å; L46-A123 WeakPolarHBondContact O-CA 3.42Å; A123-E178 VanDerWaalsContact CB-CD 3.4Å; A123-E178 HydrophobicContact CB-CG 3.99Å; A123-E178 WeakPolarHBondContact CB-OE1 3.43Å; A123-M182 HydrophobicContact CB-CE 4.48Å; A123-A190 PolarHBondContact N-O 2.8Å; A123-I191 HydrophobicContact CB-CG1 4.11Å; A123-I191 HydrophobicContact CB-CG2 4.18Å; A123-I191 WeakPolarHBondContact O-CA 3.47Å; A123-V192 PolarHBondContact O-N 3.15Å
124	V	99	Very high	97.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	108.9	171.8	-174.1	0	0	0	0	108.5	I45 L46 I47 T48 V58 A126 V192 I194 I293 L297	I45-V124 HydrophobicContact CG2-CG2 4.15Å; L46-V124 PolarHBondContact O-N 2.82Å; I47-V124 WeakPolarHBondContact CA-O 3.48Å; I47-V124 HydrophobicContact CG1-CB 4.18Å; I47-V124 HydrophobicContact CG1-CG2 4.36Å; I47-V124 HydrophobicContact CG2-CB 4.29Å; T48-V124 PolarHBondContact N-O 3.43Å; V58-V124 HydrophobicContact CG1-CG2 4.18Å; V124-A126 HydrophobicContact CG1-CB 4.19Å; V124-A126 PolarHBondContact O-N 2.84Å; V124-V192 WeakPolarHBondContact CA-O 3.4Å; V124-I194 HydrophobicContact CG1-CD1 4.1Å; V124-I194 HydrophobicContact CG1-CG1 4.23Å; V124-I293 HydrophobicContact CG1-CG2 4.06Å; V124-I293 HydrophobicContact CG2-CG2 3.89Å; V124-L297 HydrophobicContact CG2-CD1 3.65Å
125	N	98.9	Very high	97	Very high	1 Å²	1	25 Å²	25	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	82.4	178.2	-71.7	-49.6	0	0	0	110.3	T48 V171 S174 E178 V192 N193 I194	T48-N125 WeakPolarHBondContact OG1-CA 3.48Å; N125-V171 HydrophobicContact CB-CG2 4.11Å; N125-S174 WeakPolarHBondContact OD1-CB 3.44Å; N125-S174 PolarHBondContact OD1-OG 3.06Å; N125-E178 PolarHBondContact ND2-OE2 2.81Å; N125-E178 PolarHBondContact OD1-OE1 2.69Å; N125-E178 VanDerWaalsContact OD1-OE1 3.09Å; N125-V192 PolarHBondContact N-O 3.25Å; N125-N193 WeakPolarHBondContact CB-OD1 3.22Å; N125-N193 PolarHBondContact ND2-OD1 2.85Å; N125-I194 WeakPolarHBondContact O-CB 3.18Å; N125-I194 WeakPolarHBondContact O-CG1 3.34Å; N125-I194 PolarHBondContact O-N 2.93Å
126	A	98.5	Very high	96.5	Very high	18 Å²	18	22.5 Å²	22.5	15%	0.149	15%	0.147	C	C	.	.			trans	-103.9	-10.1	-175.5	0	0	0	0	0	115	T48 V124 G128 I194	T48-A126 CarbonylContact O-C 3.36Å; T48-A126 WeakPolarHBondContact O-CA 3.23Å; T48-A126 WeakPolarHBondContact O-CB 3.3Å; T48-A126 PolarHBondContact O-N 3.15Å; T48-A126 VanDerWaalsContact O-N 3.11Å; T48-A126 PolarHBondContact OG1-N 3.2Å; V124-A126 HydrophobicContact CG1-CB 4.19Å; V124-A126 PolarHBondContact O-N 2.84Å; A126-G128 PolarHBondContact O-N 3.26Å; A126-I194 VanDerWaalsContact CA-CG1 3.48Å; A126-I194 HydrophobicContact CB-CB 4.3Å; A126-I194 HydrophobicContact CB-CG1 3.47Å; A126-I194 VanDerWaalsContact CB-CG1 3.47Å
127	A	97.9	Very high	96.2	Very high	18 Å²	18	24 Å²	24	15%	0.149	15%	0.146	C	C	.	.			trans	-59.2	129.9	175.3	0	0	0	0	0	110.7	T48 V100	T48-A127 PolarHBondContact O-N 3.1Å; T48-A127 VanDerWaalsContact O-N 3.12Å; T48-A127 PolarHBondContact OG1-N 3Å; V100-A127 HydrophobicContact CG1-CB 3.9Å; V100-A127 HydrophobicContact CG2-CB 3.85Å
128	G	97.2	Very high	95.8	Very high	13 Å²	13	26.7 Å²	26.7	13%	0.134	17%	0.168	C	C	.	.			trans	-172.8	161.8	177.5	0	0	0	0	0	113.7	A126 N167 M246	A126-G128 PolarHBondContact O-N 3.26Å; G128-N167 WeakPolarHBondContact CA-OD1 3.35Å; G128-M246 WeakPolarHBondContact O-CE 3.5Å
129	V	97	Very high	95.4	Very high	9 Å²	9	25.4 Å²	25.4	6%	0.055	15%	0.148	C	C	.	.			trans	-140.7	150.9	-177	-64.9	0	0	0	0	110.8	W74 D131 V163 V166 N167 Y209	W74-V129 HydrophobicContact CZ2-CG1 4.39Å; V129-D131 WeakPolarHBondContact CB-O 3.06Å; V129-D131 WeakPolarHBondContact CG2-O 3.48Å; V129-V163 HydrophobicContact CG2-CG2 4.39Å; V129-V166 HydrophobicContact CG1-CG1 4.15Å; V129-V166 HydrophobicContact CG2-CB 3.91Å; V129-V166 HydrophobicContact CG2-CG1 3.95Å; V129-V166 HydrophobicContact CG2-CG2 4.39Å; V129-N167 PolarHBondContact N-OD1 3.48Å; V129-N167 PolarHBondContact O-ND2 3.34Å; V129-N167 PolarHBondContact O-OD1 3.3Å; V129-Y209 WeakPolarHBondContact O-CD2 3.45Å; V129-Y209 WeakPolarHBondContact O-CE2 3.22Å
130	T	94.4	Very high	95	Very high	6 Å²	6	24.9 Å²	24.9	4%	0.037	15%	0.15	C	C	.	.	S	Bend	trans	-97.7	-18.9	174.5	48	0	0	0	0	113.6	M206 Y209 M246 I250	T130-M206 HydrophobicContact CG2-CE 3.82Å; T130-Y209 HydrophobicContact CG2-CD2 4.07Å; T130-Y209 HydrophobicContact CG2-CE1 4.32Å; T130-Y209 HydrophobicContact CG2-CE2 3.78Å; T130-Y209 HydrophobicContact CG2-CG 4.44Å; T130-M246 HydrophobicContact CG2-CG 4.12Å; T130-M246 HydrophobicContact CG2-SD 4.15Å; T130-I250 HydrophobicContact CG2-CD1 3.78Å; T130-I250 HydrophobicContact CG2-CG1 3.72Å
131	D	94.3	Very high	94.5	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.011	16%	0.158	C	C	.	.	S	Bend	trans	-136.7	165.9	-177.3	53.7	81.2	0	0	0	109.7	V129 I133 L147 R249	V129-D131 WeakPolarHBondContact CB-O 3.06Å; V129-D131 WeakPolarHBondContact CG2-O 3.48Å; D131-I133 VanDerWaalsContact C-N 3.27Å; D131-I133 PolarHBondContact O-N 2.69Å; D131-I133 VanDerWaalsContact OD1-CB 3.31Å; D131-I133 WeakPolarHBondContact OD1-CB 3.28Å; D131-I133 PolarHBondContact OD1-N 2.8Å; D131-L147 WeakPolarHBondContact CB-O 3.29Å; D131-R249 IonicContact OD1-CZ 3.35Å; D131-R249 IonicContact OD1-NE 3.23Å; D131-R249 PolarHBondContact OD1-NE 3.34Å; D131-R249 IonicContact OD1-NH2 2.97Å; D131-R249 PolarHBondContact OD1-NH2 3.15Å; D131-R249 IonicContact OD2-CZ 3.23Å; D131-R249 IonicContact OD2-NE 3.48Å; D131-R249 PolarHBondContact OD2-NE 3.05Å; D131-R249 IonicContact OD2-NH2 3.6Å
132	G	94.9	Very high	94	Very high	5 Å²	5	35.7 Å²	35.7	5%	0.052	20%	0.197	C	C	.	.	S	Bend	trans	-86.5	15	-178.2	0	0	0	0	0	114.3	L147 R162	G132-L147 PolarHBondContact N-O 3.06Å; G132-R162 WeakPolarHBondContact O-CD 3.36Å; G132-R162 PolarHBondContact O-NH1 3.22Å
133	I	94	Very high	93.7	Very high	4 Å²	4	41.3 Å²	41.3	2%	0.021	22%	0.222	C	C	.	.	S	Bend	trans	-94.5	150	-179.4	-51.8	162.3	0	0	0	108.6	D131 S135 E137 I139 H144 L147 I148 R249	D131-I133 VanDerWaalsContact C-N 3.27Å; D131-I133 PolarHBondContact O-N 2.69Å; D131-I133 VanDerWaalsContact OD1-CB 3.31Å; D131-I133 WeakPolarHBondContact OD1-CB 3.28Å; D131-I133 PolarHBondContact OD1-N 2.8Å; I133-S135 PolarHBondContact O-N 2.94Å; I133-E137 HydrophobicContact CG2-CB 4.15Å; I133-I139 HydrophobicContact CD1-CB 4.5Å; I133-I139 HydrophobicContact CD1-CG1 4.06Å; I133-I139 HydrophobicContact CD1-CG2 4.12Å; I133-H144 HydrophobicContact CD1-CB 3.48Å; I133-H144 VanDerWaalsContact CD1-CB 3.48Å; I133-H144 HydrophobicContact CG1-CB 3.77Å; I133-L147 HydrophobicContact CG1-CB 3.76Å; I133-L147 HydrophobicContact CG1-CD1 4.25Å; I133-I148 HydrophobicContact CD1-CG2 3.74Å; I133-R249 VanDerWaalsContact CB-NH2 3.28Å
134	Y	91.9	Very high	93.5	Very high	95 Å²	95	42.1 Å²	42.1	37%	0.373	23%	0.225	S	C	.	.			trans	-57.1	129.2	173.4	-178.6	-104.8	0	0	0	110.8	W74 L75 G136 E137	W74-Y134 AromaticContact CD2-CD2 3.9Å; W74-Y134 HydrophobicContact CD2-CD2 3.9Å; W74-Y134 AromaticContact CD2-CE2 3.46Å; W74-Y134 HydrophobicContact CD2-CE2 3.46Å; W74-Y134 VanDerWaalsContact CD2-CE2 3.46Å; W74-Y134 AromaticContact CE2-CE2 3.92Å; W74-Y134 AromaticContact CE3-CD2 3.44Å; W74-Y134 HydrophobicContact CE3-CD2 3.44Å; W74-Y134 VanDerWaalsContact CE3-CD2 3.44Å; W74-Y134 AromaticContact CE3-CE2 3.32Å; W74-Y134 HydrophobicContact CE3-CE2 3.32Å; W74-Y134 HydrophobicContact CG-CE2 4.1Å; W74-Y134 AromaticContact CH2-CD2 3.52Å; W74-Y134 HydrophobicContact CH2-CD2 3.52Å; W74-Y134 HydrophobicContact CH2-CE2 4.14Å; W74-Y134 HydrophobicContact CH2-CG 4.21Å; W74-Y134 AromaticContact CZ2-CD2 3.96Å; W74-Y134 HydrophobicContact CZ2-CD2 3.96Å; W74-Y134 HydrophobicContact CZ2-CE2 4.26Å; W74-Y134 AromaticContact CZ3-CD2 3.23Å; W74-Y134 HydrophobicContact CZ3-CD2 3.23Å; W74-Y134 AromaticContact CZ3-CE2 3.68Å; W74-Y134 HydrophobicContact CZ3-CE2 3.68Å; W74-Y134 HydrophobicContact CZ3-CG 4.29Å; W74-Y134 PolarHBondContact O-OH 3.45Å; W74-Y134 VanDerWaalsContact O-OH 3.13Å; L75-Y134 HydrophobicContact CD2-CE1 4.27Å; Y134-G136 VanDerWaalsContact CD1-N 3.33Å; Y134-G136 PolarHBondContact O-N 3.46Å; Y134-G136 VanDerWaalsContact O-N 3.12Å; Y134-E137 HydrophobicContact CD1-CB 4.15Å; Y134-E137 WeakPolarHBondContact O-CB 3.15Å; Y134-E137 PolarHBondContact O-N 2.84Å
135	S	90.9	Very high	93.1	Very high	16 Å²	16	44.8 Å²	44.8	11%	0.112	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-18.5	-172.9	-81.4	0	0	0	0	114.4	R52 W74 I133	R52-S135 PolarHBondContact NH2-O 3.46Å; W74-S135 WeakPolarHBondContact CZ2-OG 3.45Å; I133-S135 PolarHBondContact O-N 2.94Å
136	G	89.1	Confident	92.9	Very high	46 Å²	46	48.2 Å²	48.2	47%	0.474	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-5.8	172.7	0	0	0	0	0	113.6	Y134	Y134-G136 VanDerWaalsContact CD1-N 3.33Å; Y134-G136 PolarHBondContact O-N 3.46Å; Y134-G136 VanDerWaalsContact O-N 3.12Å
137	E	90.9	Very high	92.8	Very high	80 Å²	80	47.6 Å²	47.6	37%	0.374	25%	0.254	S	S	.	.	S	Bend	trans	-96.7	133.6	-178.3	-166.5	177.6	170.7	0	0	111.1	I133 Y134 H144 R249	I133-E137 HydrophobicContact CG2-CB 4.15Å; Y134-E137 HydrophobicContact CD1-CB 4.15Å; Y134-E137 WeakPolarHBondContact O-CB 3.15Å; Y134-E137 PolarHBondContact O-N 2.84Å; E137-H144 IonicContact OE1-CE1 3.76Å; E137-H144 PolarHBondContact OE1-CE1 3.2Å; E137-H144 IonicContact OE1-NE2 3.27Å; E137-H144 PolarHBondContact OE1-NE2 3.08Å; E137-R249 PolarHBondContact O-NH1 3.5Å
138	P	89.7	Confident	92.6	Very high	103 Å²	103	47 Å²	47	67%	0.669	25%	0.248	S	C	*	.			trans	-65.4	147.8	171.6	28.4	-34.7	0	0	0	111.1	D140	P138-D140 PolarHBondContact O-N 2.96Å; P138-D140 VanDerWaalsContact O-N 3.12Å
139	I	90.2	Very high	92.4	Very high	27 Å²	27	46.8 Å²	46.8	14%	0.138	25%	0.245	C	C	.	.			trans	-76.3	105.1	-179	-59	155.8	0	0	0	109.8	I133 I148 R249 Q252 V253 L256	I133-I139 HydrophobicContact CD1-CB 4.5Å; I133-I139 HydrophobicContact CD1-CG1 4.06Å; I133-I139 HydrophobicContact CD1-CG2 4.12Å; I139-I148 HydrophobicContact CG2-CG2 4.45Å; I139-R249 HydrophobicContact CD1-CG 3.87Å; I139-Q252 HydrophobicContact CD1-CB 4.28Å; I139-V253 HydrophobicContact CD1-CG2 3.42Å; I139-V253 VanDerWaalsContact CD1-CG2 3.42Å; I139-L256 HydrophobicContact CB-CD1 4.23Å; I139-L256 HydrophobicContact CG2-CD1 3.58Å
140	D	90.5	Very high	92.1	Very high	57 Å²	57	46.6 Å²	46.6	31%	0.305	24%	0.244	S	C	.	.			trans	-90.5	106.7	161.7	-176.7	-23.5	0	0	0	110.4	P138 K142 K143 H144	P138-D140 PolarHBondContact O-N 2.96Å; P138-D140 VanDerWaalsContact O-N 3.12Å; D140-K142 VanDerWaalsContact C-N 3.28Å; D140-K142 PolarHBondContact O-N 2.9Å; D140-K142 WeakPolarHBondContact OD1-CB 3.2Å; D140-K142 PolarHBondContact OD1-N 3.24Å; D140-K143 HydrophobicContact CB-CB 4.14Å; D140-K143 HydrophobicContact CB-CD 4.18Å; D140-K143 HydrophobicContact CB-CG 4.3Å; D140-K143 PolarHBondContact O-N 3.47Å; D140-K143 PolarHBondContact OD1-N 3.07Å; D140-K143 WeakPolarHBondContact OD2-CD 3.09Å; D140-K143 WeakPolarHBondContact OD2-CE 3.24Å; D140-K143 WeakPolarHBondContact OD2-CG 3.34Å; D140-K143 IonicContact OD2-NZ 3.55Å; D140-H144 PolarHBondContact N-ND1 2.93Å; D140-H144 VanDerWaalsContact O-CB 3.24Å; D140-H144 WeakPolarHBondContact O-CB 3.36Å; D140-H144 PolarHBondContact O-N 3.21Å; D140-H144 PolarHBondContact O-ND1 3.34Å
141	F	88	Confident	92	Very high	36 Å²	36	48 Å²	48	16%	0.158	25%	0.253	C	S	.	.	H	α-helix	trans	-60.1	-34.5	-177.3	-169.7	-94.5	0	0	0	113.3	K143 S145 I148 L256 L257 N260 M262	F141-K143 VanDerWaalsContact C-N 3.33Å; F141-K143 PolarHBondContact O-N 3.29Å; F141-S145 VanDerWaalsContact O-CB 3.31Å; F141-S145 WeakPolarHBondContact O-CB 3.43Å; F141-S145 PolarHBondContact O-N 3.39Å; F141-I148 HydrophobicContact CD2-CD1 3.66Å; F141-I148 HydrophobicContact CE2-CD1 3.33Å; F141-I148 HydrophobicContact CZ-CD1 4.29Å; F141-L256 HydrophobicContact CB-CD2 4.49Å; F141-L256 HydrophobicContact CD2-CB 3.98Å; F141-L256 HydrophobicContact CE2-CB 4.45Å; F141-L257 HydrophobicContact CE2-CD2 4.27Å; F141-N260 HydrophobicContact CE1-CB 3.94Å; F141-N260 WeakPolarHBondContact CE1-OD1 3.43Å; F141-N260 HydrophobicContact CE2-CB 4.42Å; F141-N260 HydrophobicContact CZ-CB 3.68Å; F141-M262 HydrophobicContact CZ-SD 3.7Å
142	K	88.8	Confident	92	Very high	196 Å²	196	54.7 Å²	54.7	85%	0.852	29%	0.287	S	S	*	.	H	α-helix	trans	-68.9	-35.4	-179.5	-69.3	-176.8	178.8	179.9	0	111.6	D140	D140-K142 VanDerWaalsContact C-N 3.28Å; D140-K142 PolarHBondContact O-N 2.9Å; D140-K142 WeakPolarHBondContact OD1-CB 3.2Å; D140-K142 PolarHBondContact OD1-N 3.24Å
143	K	92.6	Very high	91.9	Very high	136 Å²	136	62 Å²	62	59%	0.591	32%	0.32	S	S	*	.	H	α-helix	trans	-85.1	-34.9	179.1	-64.4	179.3	-172.2	168	0	112.4	D140 F141 H146	D140-K143 HydrophobicContact CB-CB 4.14Å; D140-K143 HydrophobicContact CB-CD 4.18Å; D140-K143 HydrophobicContact CB-CG 4.3Å; D140-K143 PolarHBondContact O-N 3.47Å; D140-K143 PolarHBondContact OD1-N 3.07Å; D140-K143 WeakPolarHBondContact OD2-CD 3.09Å; D140-K143 WeakPolarHBondContact OD2-CE 3.24Å; D140-K143 WeakPolarHBondContact OD2-CG 3.34Å; D140-K143 IonicContact OD2-NZ 3.55Å; F141-K143 VanDerWaalsContact C-N 3.33Å; F141-K143 PolarHBondContact O-N 3.29Å; K143-H146 PolarHBondContact O-CE1 2.89Å; K143-H146 PolarHBondContact O-ND1 2.81Å; K143-H146 VanDerWaalsContact O-ND1 3.15Å
144	H	94.4	Very high	91.9	Very high	16 Å²	16	64.8 Å²	64.8	7%	0.074	34%	0.34	C	S	.	.	H	α-helix	trans	-112.1	8.3	-165.9	-55.1	133.2	0	0	0	114.8	I133 E137 D140 H146 L147 I148	I133-H144 HydrophobicContact CD1-CB 3.48Å; I133-H144 VanDerWaalsContact CD1-CB 3.48Å; I133-H144 HydrophobicContact CG1-CB 3.77Å; E137-H144 IonicContact OE1-CE1 3.76Å; E137-H144 PolarHBondContact OE1-CE1 3.2Å; E137-H144 IonicContact OE1-NE2 3.27Å; E137-H144 PolarHBondContact OE1-NE2 3.08Å; D140-H144 PolarHBondContact N-ND1 2.93Å; D140-H144 VanDerWaalsContact O-CB 3.24Å; D140-H144 WeakPolarHBondContact O-CB 3.36Å; D140-H144 PolarHBondContact O-N 3.21Å; D140-H144 PolarHBondContact O-ND1 3.34Å; H144-H146 PolarHBondContact O-N 2.93Å; H144-H146 VanDerWaalsContact O-N 3.11Å; H144-L147 WeakPolarHBondContact O-CA 3.29Å; H144-L147 PolarHBondContact O-N 3.34Å; H144-I148 PolarHBondContact O-N 3.45Å
145	S	91.6	Very high	92.1	Very high	57 Å²	57	61.7 Å²	61.7	40%	0.399	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-53.4	-32.7	177.4	57	0	0	0	0	113.3	F141 L147 I148	F141-S145 VanDerWaalsContact O-CB 3.31Å; F141-S145 WeakPolarHBondContact O-CB 3.43Å; F141-S145 PolarHBondContact O-N 3.39Å; S145-L147 VanDerWaalsContact C-N 3.26Å; S145-L147 PolarHBondContact O-N 3.27Å; S145-I148 VanDerWaalsContact O-CG1 3.28Å; S145-I148 WeakPolarHBondContact O-CG1 3.48Å
146	H	94.4	Very high	92.4	Very high	72 Å²	72	63 Å²	63	33%	0.333	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-78.2	-1.6	175.1	71.7	-76.3	0	0	0	114.3	K143 H144 T156 D158	K143-H146 PolarHBondContact O-CE1 2.89Å; K143-H146 PolarHBondContact O-ND1 2.81Å; K143-H146 VanDerWaalsContact O-ND1 3.15Å; H144-H146 PolarHBondContact O-N 2.93Å; H144-H146 VanDerWaalsContact O-N 3.11Å; H146-T156 HydrophobicContact CB-CG2 4.05Å; H146-T156 PolarHBondContact O-OG1 3.44Å; H146-D158 IonicContact CD2-OD2 3.71Å
147	L	95.9	Very high	92.8	Very high	6 Å²	6	67.4 Å²	67.4	3%	0.031	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-120.3	-2.2	-179.6	-61.1	175.7	0	0	0	112.8	D131 G132 I133 H144 S145 D158 Y159 R162	D131-L147 WeakPolarHBondContact CB-O 3.29Å; G132-L147 PolarHBondContact N-O 3.06Å; I133-L147 HydrophobicContact CG1-CB 3.76Å; I133-L147 HydrophobicContact CG1-CD1 4.25Å; H144-L147 WeakPolarHBondContact O-CA 3.29Å; H144-L147 PolarHBondContact O-N 3.34Å; S145-L147 VanDerWaalsContact C-N 3.26Å; S145-L147 PolarHBondContact O-N 3.27Å; L147-D158 HydrophobicContact CD2-CB 3.78Å; L147-Y159 WeakPolarHBondContact O-CD2 3.34Å; L147-R162 VanDerWaalsContact CD1-NH1 3.33Å
148	I	93.8	Very high	93.2	Very high	5 Å²	5	67.7 Å²	67.7	3%	0.026	36%	0.358	C	S	.	.	S	Bend	trans	-96.4	169.9	178.2	60.4	174.8	0	0	0	111.4	I133 I139 F141 H144 S145 V253 L257	I133-I148 HydrophobicContact CD1-CG2 3.74Å; I139-I148 HydrophobicContact CG2-CG2 4.45Å; F141-I148 HydrophobicContact CD2-CD1 3.66Å; F141-I148 HydrophobicContact CE2-CD1 3.33Å; F141-I148 HydrophobicContact CZ-CD1 4.29Å; H144-I148 PolarHBondContact O-N 3.45Å; S145-I148 VanDerWaalsContact O-CG1 3.28Å; S145-I148 WeakPolarHBondContact O-CG1 3.48Å; I148-V253 HydrophobicContact CB-CG1 4.39Å; I148-L257 HydrophobicContact CD1-CD2 3.77Å; I148-L257 HydrophobicContact CD1-CG 4.47Å
149	T	92.6	Very high	93.5	Very high	9 Å²	9	62.8 Å²	62.8	6%	0.055	33%	0.326	C	S	.	.			trans	-69.4	140.2	-177.3	-147.6	0	0	0	0	112.3	Y159 Y205 M206 V253 L257	T149-Y159 PolarHBondContact OG1-OH 2.73Å; T149-Y205 CarbonylContact C-O 3.57Å; T149-Y205 WeakPolarHBondContact CB-O 3.49Å; T149-Y205 PolarHBondContact OG1-O 3.29Å; T149-M206 HydrophobicContact CG2-CG 4.39Å; T149-M206 VanDerWaalsContact OG1-CA 3.31Å; T149-M206 WeakPolarHBondContact OG1-CA 3.32Å; T149-M206 WeakPolarHBondContact OG1-CG 3.4Å; T149-V253 HydrophobicContact CG2-CG1 3.93Å; T149-L257 HydrophobicContact CG2-CD1 3.65Å
150	A	91.7	Very high	93.9	Very high	5 Å²	5	66.6 Å²	66.6	4%	0.041	34%	0.339	C	S	.	.			trans	-152.8	163.7	-179.5	0	0	0	0	0	111.2	A155 Y205 P207	A150-A155 HydrophobicContact CB-CB 4.42Å; A150-Y205 CarbonylContact C-O 3.59Å; A150-Y205 PolarHBondContact N-O 2.6Å; A150-Y205 CarbonylContact O-C 3.5Å; A150-P207 WeakPolarHBondContact O-CD 3.39Å
151	P	91.1	Very high	94.3	Very high	36 Å²	36	68.3 Å²	68.3	23%	0.234	35%	0.345	C	S	.	.			trans	-57.5	153.3	169.5	-20.1	34.8	0	0	0	110.6	H153 S154 A155 Y205	P151-H153 PolarHBondContact O-N 3.34Å; P151-S154 CarbonylContact O-C 3.55Å; P151-S154 PolarHBondContact O-N 2.97Å; P151-A155 PolarHBondContact O-N 3.01Å; P151-Y205 HydrophobicContact CG-CD1 3.54Å; P151-Y205 HydrophobicContact CG-CE1 3.28Å; P151-Y205 HydrophobicContact CG-CG 4.46Å
152	I	94.4	Very high	94.8	Very high	141 Å²	141	72.1 Å²	72.1	72%	0.723	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-35.4	-170.2	-163.5	169.1	0	0	0	114.6	S154 P207	I152-S154 VanDerWaalsContact C-N 3.27Å; I152-S154 PolarHBondContact O-N 3.13Å; I152-P207 HydrophobicContact CB-CB 4.41Å; I152-P207 HydrophobicContact CG1-CB 4.36Å
153	H	94.2	Very high	95.2	Very high	159 Å²	159	62.8 Å²	62.8	74%	0.736	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-9.2	179.5	70.2	-81.7	0	0	0	114.3	P151	P151-H153 PolarHBondContact O-N 3.34Å
154	S	93.7	Very high	95.5	Very high	63 Å²	63	58 Å²	58	44%	0.441	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.1	-6.8	178	-50.2	0	0	0	0	112.9	P151 I152	P151-S154 CarbonylContact O-C 3.55Å; P151-S154 PolarHBondContact O-N 2.97Å; I152-S154 VanDerWaalsContact C-N 3.27Å; I152-S154 PolarHBondContact O-N 3.13Å
155	A	95.4	Very high	95.7	Very high	29 Å²	29	59.9 Å²	59.9	24%	0.24	31%	0.309	C	S	.	.			trans	-68.2	144.8	172.6	0	0	0	0	0	109.7	A150 P151 Y159 P207	A150-A155 HydrophobicContact CB-CB 4.42Å; P151-A155 PolarHBondContact O-N 3.01Å; A155-Y159 HydrophobicContact CB-CD1 4.04Å; A155-Y159 HydrophobicContact CB-CE1 4.26Å; A155-P207 HydrophobicContact CB-CG 4.06Å
156	T	97.2	Very high	96.1	Very high	45 Å²	45	58.2 Å²	58.2	28%	0.276	30%	0.296	S	S	.	.			trans	-97.7	158.3	-178.4	66.2	0	0	0	0	111.2	H146 D158 Y159 W160	H146-T156 HydrophobicContact CB-CG2 4.05Å; H146-T156 PolarHBondContact O-OG1 3.44Å; T156-D158 VanDerWaalsContact C-N 3.29Å; T156-D158 PolarHBondContact O-N 2.95Å; T156-Y159 PolarHBondContact O-N 3.31Å; T156-Y159 VanDerWaalsContact OG1-CB 3.29Å; T156-Y159 WeakPolarHBondContact OG1-CB 3.48Å; T156-Y159 PolarHBondContact OG1-N 2.84Å; T156-Y159 VanDerWaalsContact OG1-N 3.09Å; T156-W160 WeakPolarHBondContact O-CB 3.2Å; T156-W160 PolarHBondContact O-N 3.43Å
157	D	98.3	Very high	96.3	Very high	138 Å²	138	54.8 Å²	54.8	74%	0.738	28%	0.281	S	S	*	.	H	α-helix	trans	-62.1	-37.3	173	-66.8	-20.7	0	0	0	111.7	W160 Q161	D157-W160 PolarHBondContact O-N 2.77Å; D157-Q161 VanDerWaalsContact O-CB 3.24Å; D157-Q161 WeakPolarHBondContact O-CB 3.38Å; D157-Q161 PolarHBondContact O-N 2.95Å
158	D	98	Very high	96.4	Very high	86 Å²	86	55.1 Å²	55.1	46%	0.46	28%	0.284	S	S	.	.	H	α-helix	trans	-63.9	-45	178	-75	-28.4	0	0	0	112.4	H146 L147 T156 R162	H146-D158 IonicContact CD2-OD2 3.71Å; L147-D158 HydrophobicContact CD2-CB 3.78Å; T156-D158 VanDerWaalsContact C-N 3.29Å; T156-D158 PolarHBondContact O-N 2.95Å; D158-R162 WeakPolarHBondContact O-CB 3.46Å; D158-R162 VanDerWaalsContact O-CG 3.26Å; D158-R162 WeakPolarHBondContact O-CG 3.39Å; D158-R162 PolarHBondContact O-N 2.99Å
159	Y	97.1	Very high	96.6	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-59.7	-49.5	172.7	158.8	-105.7	0	0	0	110.4	L147 T149 A155 T156 V163 P207 A208	L147-Y159 WeakPolarHBondContact O-CD2 3.34Å; T149-Y159 PolarHBondContact OG1-OH 2.73Å; A155-Y159 HydrophobicContact CB-CD1 4.04Å; A155-Y159 HydrophobicContact CB-CE1 4.26Å; T156-Y159 PolarHBondContact O-N 3.31Å; T156-Y159 VanDerWaalsContact OG1-CB 3.29Å; T156-Y159 WeakPolarHBondContact OG1-CB 3.48Å; T156-Y159 PolarHBondContact OG1-N 2.84Å; T156-Y159 VanDerWaalsContact OG1-N 3.09Å; Y159-V163 HydrophobicContact CD2-CG2 3.84Å; Y159-V163 HydrophobicContact CE2-CG2 3.66Å; Y159-V163 WeakPolarHBondContact O-CB 3.47Å; Y159-V163 VanDerWaalsContact O-CG2 3.28Å; Y159-V163 WeakPolarHBondContact O-CG2 3.22Å; Y159-V163 PolarHBondContact O-N 3.26Å; Y159-V163 VanDerWaalsContact O-N 3.15Å; Y159-P207 HydrophobicContact CE1-CG 4.16Å; Y159-A208 HydrophobicContact CD1-CB 4.14Å; Y159-A208 HydrophobicContact CE1-CB 3.47Å; Y159-A208 VanDerWaalsContact CE1-CB 3.47Å; Y159-A208 HydrophobicContact CE2-CB 4.46Å
160	W	98.4	Very high	96.9	Very high	106 Å²	106	55.1 Å²	55.1	40%	0.402	29%	0.287	S	S	.	.	H	α-helix	trans	-56.6	-55.4	-179.2	170.7	-92.5	0	0	0	111.6	T156 D157 R162 V163 I164 A208 A211	T156-W160 WeakPolarHBondContact O-CB 3.2Å; T156-W160 PolarHBondContact O-N 3.43Å; D157-W160 PolarHBondContact O-N 2.77Å; W160-R162 PolarHBondContact O-N 3.28Å; W160-V163 PolarHBondContact O-N 3.5Å; W160-I164 HydrophobicContact CD2-CG1 4.05Å; W160-I164 HydrophobicContact CG-CG1 4.47Å; W160-I164 HydrophobicContact CH2-CD1 4.17Å; W160-I164 HydrophobicContact CH2-CG1 4.44Å; W160-I164 HydrophobicContact CZ2-CD1 4.02Å; W160-I164 HydrophobicContact CZ2-CG1 3.97Å; W160-I164 WeakPolarHBondContact O-CB 3.34Å; W160-I164 VanDerWaalsContact O-CG1 3.26Å; W160-I164 WeakPolarHBondContact O-CG1 3.29Å; W160-I164 PolarHBondContact O-N 3.08Å; W160-A208 HydrophobicContact CD2-CB 4.35Å; W160-A208 HydrophobicContact CE3-CB 3.67Å; W160-A208 HydrophobicContact CZ3-CB 4.25Å; W160-A211 HydrophobicContact CH2-CB 3.78Å; W160-A211 HydrophobicContact CZ3-CB 3.99Å
161	Q	98.5	Very high	97.3	Very high	94 Å²	94	55.1 Å²	55.1	44%	0.439	29%	0.286	S	S	.	.	H	α-helix	trans	-61.8	-47.5	-173.2	-171.1	58.5	53.1	0	0	110.9	D157 V163 I164 D165	D157-Q161 VanDerWaalsContact O-CB 3.24Å; D157-Q161 WeakPolarHBondContact O-CB 3.38Å; D157-Q161 PolarHBondContact O-N 2.95Å; Q161-V163 PolarHBondContact O-N 3.4Å; Q161-I164 PolarHBondContact O-N 3.23Å; Q161-D165 WeakPolarHBondContact CG-OD2 3.37Å; Q161-D165 PolarHBondContact NE2-OD1 3.36Å; Q161-D165 PolarHBondContact NE2-OD2 3.3Å; Q161-D165 VanDerWaalsContact O-CB 3.26Å; Q161-D165 WeakPolarHBondContact O-CB 3.26Å; Q161-D165 PolarHBondContact O-N 3.46Å
162	R	98.2	Very high	97.6	Very high	116 Å²	116	58.1 Å²	58.1	44%	0.438	30%	0.296	S	S	.	.	H	α-helix	trans	-64.1	-42.4	-179.3	-68.4	-177.2	-172.3	-164.1	2.1	112.9	G132 L147 D158 W160 V166	G132-R162 WeakPolarHBondContact O-CD 3.36Å; G132-R162 PolarHBondContact O-NH1 3.22Å; L147-R162 VanDerWaalsContact CD1-NH1 3.33Å; D158-R162 WeakPolarHBondContact O-CB 3.46Å; D158-R162 VanDerWaalsContact O-CG 3.26Å; D158-R162 WeakPolarHBondContact O-CG 3.39Å; D158-R162 PolarHBondContact O-N 2.99Å; W160-R162 PolarHBondContact O-N 3.28Å; R162-V166 WeakPolarHBondContact O-CG2 3.29Å; R162-V166 PolarHBondContact O-N 3.24Å
163	V	98.3	Very high	97.9	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-68	-39.8	179.5	172.4	0	0	0	0	111	V129 Y159 W160 Q161 N167 A208	V129-V163 HydrophobicContact CG2-CG2 4.39Å; Y159-V163 HydrophobicContact CD2-CG2 3.84Å; Y159-V163 HydrophobicContact CE2-CG2 3.66Å; Y159-V163 WeakPolarHBondContact O-CB 3.47Å; Y159-V163 VanDerWaalsContact O-CG2 3.28Å; Y159-V163 WeakPolarHBondContact O-CG2 3.22Å; Y159-V163 PolarHBondContact O-N 3.26Å; Y159-V163 VanDerWaalsContact O-N 3.15Å; W160-V163 PolarHBondContact O-N 3.5Å; Q161-V163 PolarHBondContact O-N 3.4Å; V163-N167 VanDerWaalsContact CG1-ND2 3.29Å; V163-N167 WeakPolarHBondContact CG1-ND2 3.43Å; V163-N167 VanDerWaalsContact O-CB 3.25Å; V163-N167 WeakPolarHBondContact O-CB 3.46Å; V163-N167 PolarHBondContact O-N 2.89Å; V163-N167 VanDerWaalsContact O-N 3.07Å; V163-N167 PolarHBondContact O-ND2 3.4Å; V163-A208 HydrophobicContact CB-CB 3.84Å; V163-A208 HydrophobicContact CG1-CB 3.77Å
164	I	98.7	Very high	98.1	Very high	35 Å²	35	45.2 Å²	45.2	18%	0.179	23%	0.233	C	C	.	.	H	α-helix	trans	-67.7	-45.4	176.6	-69.7	-72.8	0	0	0	110.8	W160 Q161 V166 A168 G169 A211	W160-I164 HydrophobicContact CD2-CG1 4.05Å; W160-I164 HydrophobicContact CG-CG1 4.47Å; W160-I164 HydrophobicContact CH2-CD1 4.17Å; W160-I164 HydrophobicContact CH2-CG1 4.44Å; W160-I164 HydrophobicContact CZ2-CD1 4.02Å; W160-I164 HydrophobicContact CZ2-CG1 3.97Å; W160-I164 WeakPolarHBondContact O-CB 3.34Å; W160-I164 VanDerWaalsContact O-CG1 3.26Å; W160-I164 WeakPolarHBondContact O-CG1 3.29Å; W160-I164 PolarHBondContact O-N 3.08Å; Q161-I164 PolarHBondContact O-N 3.23Å; I164-V166 VanDerWaalsContact C-N 3.33Å; I164-V166 PolarHBondContact O-N 3.15Å; I164-A168 PolarHBondContact O-N 3.3Å; I164-G169 PolarHBondContact O-N 3.44Å; I164-A211 HydrophobicContact CD1-CB 4.34Å
165	D	98.6	Very high	98.3	Very high	56 Å²	56	42.6 Å²	42.6	30%	0.299	21%	0.214	S	C	.	.	H	α-helix	trans	-62	-38.4	-177.5	-80.2	-24.6	0	0	0	113.2	Q161 G169 G170	Q161-D165 WeakPolarHBondContact CG-OD2 3.37Å; Q161-D165 PolarHBondContact NE2-OD1 3.36Å; Q161-D165 PolarHBondContact NE2-OD2 3.3Å; Q161-D165 VanDerWaalsContact O-CB 3.26Å; Q161-D165 WeakPolarHBondContact O-CB 3.26Å; Q161-D165 PolarHBondContact O-N 3.46Å; D165-G169 CarbonylContact O-C 3.52Å; D165-G169 VanDerWaalsContact O-C 3.23Å; D165-G169 WeakPolarHBondContact O-CA 3.48Å; D165-G170 PolarHBondContact O-N 3Å
166	V	98.6	Very high	98.5	Very high	22 Å²	22	45 Å²	45	13%	0.133	22%	0.217	C	C	.	.	H	α-helix	trans	-78.5	-51.5	177.5	174.4	0	0	0	0	111.1	V100 V129 R162 I164 G170	V100-V166 HydrophobicContact CG2-CG1 4.17Å; V129-V166 HydrophobicContact CG1-CG1 4.15Å; V129-V166 HydrophobicContact CG2-CB 3.91Å; V129-V166 HydrophobicContact CG2-CG1 3.95Å; V129-V166 HydrophobicContact CG2-CG2 4.39Å; R162-V166 WeakPolarHBondContact O-CG2 3.29Å; R162-V166 PolarHBondContact O-N 3.24Å; I164-V166 VanDerWaalsContact C-N 3.33Å; I164-V166 PolarHBondContact O-N 3.15Å; V166-G170 WeakPolarHBondContact O-CA 2.97Å; V166-G170 PolarHBondContact O-N 3.21Å; V166-G170 VanDerWaalsContact O-N 3.17Å
167	N	98.7	Very high	98.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-76.6	-62.8	-171.1	-68.9	-42.6	0	0	0	112.3	G128 V129 V163 V171 S212	G128-N167 WeakPolarHBondContact CA-OD1 3.35Å; V129-N167 PolarHBondContact N-OD1 3.48Å; V129-N167 PolarHBondContact O-ND2 3.34Å; V129-N167 PolarHBondContact O-OD1 3.3Å; V163-N167 VanDerWaalsContact CG1-ND2 3.29Å; V163-N167 WeakPolarHBondContact CG1-ND2 3.43Å; V163-N167 VanDerWaalsContact O-CB 3.25Å; V163-N167 WeakPolarHBondContact O-CB 3.46Å; V163-N167 PolarHBondContact O-N 2.89Å; V163-N167 VanDerWaalsContact O-N 3.07Å; V163-N167 PolarHBondContact O-ND2 3.4Å; N167-V171 WeakPolarHBondContact O-CB 3.34Å; N167-V171 WeakPolarHBondContact O-CG2 3.37Å; N167-V171 PolarHBondContact O-N 3.24Å; N167-S212 VanDerWaalsContact CB-OG 3.23Å; N167-S212 WeakPolarHBondContact CB-OG 3.31Å; N167-S212 PolarHBondContact ND2-OG 2.9Å
168	A	98.8	Very high	98.6	Very high	13 Å²	13	36.5 Å²	36.5	11%	0.107	17%	0.17	C	C	.	.	H	α-helix	trans	-81.4	-46.4	-177	0	0	0	0	0	110.6	I164 G170 V171 F172 A215	I164-A168 PolarHBondContact O-N 3.3Å; A168-G170 VanDerWaalsContact C-N 3.3Å; A168-G170 PolarHBondContact O-N 3.45Å; A168-V171 PolarHBondContact O-N 3.19Å; A168-F172 WeakPolarHBondContact O-CB 3.28Å; A168-F172 PolarHBondContact O-N 2.85Å; A168-A215 HydrophobicContact CB-CB 3.86Å
169	G	98.8	Very high	98.6	Very high	13 Å²	13	32.6 Å²	32.6	13%	0.134	15%	0.149	C	C	.	.	H	α-helix	trans	-63.9	-34.1	177.4	0	0	0	0	0	112.7	I164 D165 K173	I164-G169 PolarHBondContact O-N 3.44Å; D165-G169 CarbonylContact O-C 3.52Å; D165-G169 VanDerWaalsContact O-C 3.23Å; D165-G169 WeakPolarHBondContact O-CA 3.48Å; G169-K173 VanDerWaalsContact O-CG 3.22Å; G169-K173 WeakPolarHBondContact O-CG 3.22Å; G169-K173 PolarHBondContact O-N 2.94Å; G169-K173 VanDerWaalsContact O-N 3.17Å; G169-K173 PolarHBondContact O-NZ 3.18Å
170	G	98.8	Very high	98.7	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-71.2	-50.6	176.3	0	0	0	0	0	111.8	V100 D165 V166 A168 F172 K173 S174	V100-G170 VanDerWaalsContact O-CA 3.29Å; V100-G170 WeakPolarHBondContact O-CA 3.27Å; D165-G170 PolarHBondContact O-N 3Å; V166-G170 WeakPolarHBondContact O-CA 2.97Å; V166-G170 PolarHBondContact O-N 3.21Å; V166-G170 VanDerWaalsContact O-N 3.17Å; A168-G170 VanDerWaalsContact C-N 3.3Å; A168-G170 PolarHBondContact O-N 3.45Å; G170-F172 VanDerWaalsContact C-N 3.29Å; G170-F172 PolarHBondContact O-N 3.33Å; G170-K173 PolarHBondContact O-N 3.22Å; G170-K173 VanDerWaalsContact O-N 3.13Å; G170-S174 WeakPolarHBondContact O-CB 3.41Å; G170-S174 PolarHBondContact O-N 3.37Å; G170-S174 PolarHBondContact O-OG 3.12Å; G170-S174 VanDerWaalsContact O-OG 3.09Å
171	V	98.9	Very high	98.7	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.024	16%	0.16	C	C	.	.	H	α-helix	trans	-57.1	-42.9	175.4	170.4	0	0	0	0	111.5	N125 N167 A168 K173 S174 L175 N193 I216 L219	N125-V171 HydrophobicContact CB-CG2 4.11Å; N167-V171 WeakPolarHBondContact O-CB 3.34Å; N167-V171 WeakPolarHBondContact O-CG2 3.37Å; N167-V171 PolarHBondContact O-N 3.24Å; A168-V171 PolarHBondContact O-N 3.19Å; V171-K173 PolarHBondContact O-N 3Å; V171-S174 PolarHBondContact O-N 2.83Å; V171-L175 HydrophobicContact CG1-CD1 3.7Å; V171-L175 HydrophobicContact CG1-CG 4.13Å; V171-L175 VanDerWaalsContact O-CB 3.29Å; V171-L175 WeakPolarHBondContact O-CB 3.37Å; V171-L175 VanDerWaalsContact O-CG 3.24Å; V171-L175 WeakPolarHBondContact O-CG 3.44Å; V171-L175 PolarHBondContact O-N 3.32Å; V171-N193 HydrophobicContact CG1-CB 4.47Å; V171-I216 HydrophobicContact CB-CG1 4.21Å; V171-I216 HydrophobicContact CG1-CG1 4.39Å; V171-I216 HydrophobicContact CG1-CG2 4.46Å; V171-I216 HydrophobicContact CG2-CD1 3.89Å; V171-I216 HydrophobicContact CG2-CG1 3.93Å; V171-L219 HydrophobicContact CG1-CD1 4.17Å
172	F	98.9	Very high	98.8	Very high	99 Å²	99	30 Å²	30	43%	0.434	14%	0.14	S	C	.	.	H	α-helix	trans	-58.5	-47.5	175.8	169.5	-103.8	0	0	0	112.6	A168 G170 R176 L219	A168-F172 WeakPolarHBondContact O-CB 3.28Å; A168-F172 PolarHBondContact O-N 2.85Å; G170-F172 VanDerWaalsContact C-N 3.29Å; G170-F172 PolarHBondContact O-N 3.33Å; F172-R176 WeakPolarHBondContact O-CB 3.47Å; F172-R176 PolarHBondContact O-N 3.39Å; F172-L219 HydrophobicContact CB-CD1 4.03Å; F172-L219 HydrophobicContact CD2-CD2 4.15Å
173	K	98.9	Very high	98.8	Very high	29 Å²	29	27.2 Å²	27.2	13%	0.126	13%	0.133	C	C	.	.	H	α-helix	trans	-68.4	-41.4	-179	-69.6	177.4	-160.5	88.5	0	111.6	S101 A106 G169 G170 V171 R176 A177	S101-K173 WeakPolarHBondContact O-CD 3.3Å; S101-K173 WeakPolarHBondContact O-CE 3.32Å; S101-K173 PolarHBondContact O-NZ 3.45Å; A106-K173 HydrophobicContact CB-CB 3.93Å; G169-K173 VanDerWaalsContact O-CG 3.22Å; G169-K173 WeakPolarHBondContact O-CG 3.22Å; G169-K173 PolarHBondContact O-N 2.94Å; G169-K173 VanDerWaalsContact O-N 3.17Å; G169-K173 PolarHBondContact O-NZ 3.18Å; G170-K173 PolarHBondContact O-N 3.22Å; G170-K173 VanDerWaalsContact O-N 3.13Å; V171-K173 PolarHBondContact O-N 3Å; K173-R176 PolarHBondContact O-N 3.35Å; K173-A177 PolarHBondContact O-N 3.1Å; K173-A177 VanDerWaalsContact O-N 3.1Å
174	S	98.9	Very high	98.8	Very high	1 Å²	1	35 Å²	35	1%	0.007	17%	0.167	C	C	.	.	H	α-helix	trans	-59.5	-55.3	173.9	-60.8	0	0	0	0	111.3	M109 N125 G170 V171 R176 A177 E178	M109-S174 WeakPolarHBondContact CE-OG 3.46Å; N125-S174 WeakPolarHBondContact OD1-CB 3.44Å; N125-S174 PolarHBondContact OD1-OG 3.06Å; G170-S174 WeakPolarHBondContact O-CB 3.41Å; G170-S174 PolarHBondContact O-N 3.37Å; G170-S174 PolarHBondContact O-OG 3.12Å; G170-S174 VanDerWaalsContact O-OG 3.09Å; V171-S174 PolarHBondContact O-N 2.83Å; S174-R176 VanDerWaalsContact C-N 3.26Å; S174-R176 PolarHBondContact O-N 2.83Å; S174-A177 PolarHBondContact O-N 3.02Å; S174-E178 WeakPolarHBondContact O-CB 3.44Å; S174-E178 WeakPolarHBondContact O-CG 3.39Å; S174-E178 PolarHBondContact O-N 3.15Å
175	L	98.9	Very high	98.8	Very high	8 Å²	8	34.7 Å²	34.7	4%	0.042	17%	0.165	C	C	.	.	H	α-helix	trans	-52.5	-46.6	177.3	-77	171.8	0	0	0	111	V171 A177 E178 L179 I191 L219 V234	V171-L175 HydrophobicContact CG1-CD1 3.7Å; V171-L175 HydrophobicContact CG1-CG 4.13Å; V171-L175 VanDerWaalsContact O-CB 3.29Å; V171-L175 WeakPolarHBondContact O-CB 3.37Å; V171-L175 VanDerWaalsContact O-CG 3.24Å; V171-L175 WeakPolarHBondContact O-CG 3.44Å; V171-L175 PolarHBondContact O-N 3.32Å; L175-A177 VanDerWaalsContact C-N 3.34Å; L175-A177 PolarHBondContact O-N 3.41Å; L175-E178 PolarHBondContact O-N 2.84Å; L175-L179 HydrophobicContact CB-CD1 4.05Å; L175-L179 HydrophobicContact CD2-CD1 4.28Å; L175-L179 WeakPolarHBondContact O-CB 3.34Å; L175-L179 VanDerWaalsContact O-CD1 3.28Å; L175-L179 WeakPolarHBondContact O-CD1 3.39Å; L175-L179 WeakPolarHBondContact O-CG 3.3Å; L175-L179 PolarHBondContact O-N 3.12Å; L175-I191 HydrophobicContact CD2-CD1 3.87Å; L175-I191 HydrophobicContact CD2-CG2 3.83Å; L175-L219 HydrophobicContact CD1-CB 4.11Å; L175-V234 HydrophobicContact CD2-CG1 4.33Å
176	R	98.9	Very high	98.8	Very high	79 Å²	79	34.9 Å²	34.9	30%	0.298	18%	0.18	S	C	.	.	H	α-helix	trans	-58.6	-44.1	179.1	-176.3	178.8	66.2	-178.5	-3.1	112.3	T103 F172 K173 S174 K180	T103-R176 PolarHBondContact OG1-NH2 3.25Å; F172-R176 WeakPolarHBondContact O-CB 3.47Å; F172-R176 PolarHBondContact O-N 3.39Å; K173-R176 PolarHBondContact O-N 3.35Å; S174-R176 VanDerWaalsContact C-N 3.26Å; S174-R176 PolarHBondContact O-N 2.83Å; R176-K180 WeakPolarHBondContact O-CB 3.49Å; R176-K180 WeakPolarHBondContact O-CD 3.47Å; R176-K180 WeakPolarHBondContact O-CG 3.36Å; R176-K180 PolarHBondContact O-N 3.4Å
177	A	98.9	Very high	98.8	Very high	5 Å²	5	39.5 Å²	39.5	4%	0.041	20%	0.2	C	C	.	.	H	α-helix	trans	-72.5	-45.7	180	0	0	0	0	0	111.9	A106 V110 K173 S174 L175 K180 Q181	A106-A177 HydrophobicContact CB-CB 4.3Å; A106-A177 VanDerWaalsContact O-CB 3.23Å; A106-A177 WeakPolarHBondContact O-CB 3.43Å; V110-A177 HydrophobicContact CB-CB 4.46Å; V110-A177 HydrophobicContact CG2-CB 3.76Å; K173-A177 PolarHBondContact O-N 3.1Å; K173-A177 VanDerWaalsContact O-N 3.1Å; S174-A177 PolarHBondContact O-N 3.02Å; L175-A177 VanDerWaalsContact C-N 3.34Å; L175-A177 PolarHBondContact O-N 3.41Å; A177-K180 PolarHBondContact O-N 3.46Å; A177-Q181 PolarHBondContact O-N 3.48Å
178	E	98.9	Very high	98.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-59.1	-51.3	178.7	-70.5	159.2	179.7	0	0	111.3	L46 V110 A123 N125 S174 L175 K180 Q181 M182 I191	L46-E178 HydrophobicContact CD2-CG 4.14Å; V110-E178 HydrophobicContact CG2-CG 4.32Å; A123-E178 VanDerWaalsContact CB-CD 3.4Å; A123-E178 HydrophobicContact CB-CG 3.99Å; A123-E178 WeakPolarHBondContact CB-OE1 3.43Å; N125-E178 PolarHBondContact ND2-OE2 2.81Å; N125-E178 PolarHBondContact OD1-OE1 2.69Å; N125-E178 VanDerWaalsContact OD1-OE1 3.09Å; S174-E178 WeakPolarHBondContact O-CB 3.44Å; S174-E178 WeakPolarHBondContact O-CG 3.39Å; S174-E178 PolarHBondContact O-N 3.15Å; L175-E178 PolarHBondContact O-N 2.84Å; E178-K180 PolarHBondContact O-N 3.06Å; E178-Q181 PolarHBondContact O-N 2.86Å; E178-Q181 VanDerWaalsContact O-N 3.15Å; E178-M182 WeakPolarHBondContact O-CG 3.19Å; E178-M182 PolarHBondContact O-N 3.46Å; E178-I191 HydrophobicContact CB-CD1 4.06Å
179	L	98.9	Very high	98.7	Very high	4 Å²	4	40 Å²	40	2%	0.021	21%	0.206	C	C	.	.	H	α-helix	trans	-67.1	-37.4	-176.9	-66.6	164.6	0	0	0	112	L175 Q181 M182 I183 I191 A223 Y227 I232	L175-L179 HydrophobicContact CB-CD1 4.05Å; L175-L179 HydrophobicContact CD2-CD1 4.28Å; L175-L179 WeakPolarHBondContact O-CB 3.34Å; L175-L179 VanDerWaalsContact O-CD1 3.28Å; L175-L179 WeakPolarHBondContact O-CD1 3.39Å; L175-L179 WeakPolarHBondContact O-CG 3.3Å; L175-L179 PolarHBondContact O-N 3.12Å; L179-Q181 VanDerWaalsContact C-N 3.28Å; L179-Q181 PolarHBondContact O-N 3.38Å; L179-M182 PolarHBondContact O-N 3.38Å; L179-I183 WeakPolarHBondContact O-CB 3.48Å; L179-I183 WeakPolarHBondContact O-CD1 3.24Å; L179-I183 VanDerWaalsContact O-CG1 3.26Å; L179-I183 WeakPolarHBondContact O-CG1 3.48Å; L179-I183 PolarHBondContact O-N 3.41Å; L179-I191 HydrophobicContact CD2-CD1 3.76Å; L179-I191 HydrophobicContact CG-CD1 4.01Å; L179-A223 HydrophobicContact CD1-CB 4.25Å; L179-Y227 HydrophobicContact CB-CD1 4.08Å; L179-Y227 HydrophobicContact CB-CE1 3.71Å; L179-Y227 HydrophobicContact CD1-CD1 4.36Å; L179-Y227 HydrophobicContact CD1-CD2 3.84Å; L179-Y227 HydrophobicContact CD1-CE1 4.1Å; L179-Y227 HydrophobicContact CD1-CE2 3.57Å; L179-Y227 HydrophobicContact CD1-CG 4.23Å; L179-Y227 HydrophobicContact CD2-CD1 3.92Å; L179-Y227 HydrophobicContact CD2-CD2 4.24Å; L179-Y227 HydrophobicContact CD2-CE1 4.34Å; L179-Y227 HydrophobicContact CD2-CG 3.85Å; L179-Y227 HydrophobicContact CG-CD1 4.35Å; L179-Y227 HydrophobicContact CG-CE1 4.27Å; L179-Y227 HydrophobicContact CG-CG 4.49Å; L179-I232 HydrophobicContact CD2-CD1 4.05Å; L179-I232 HydrophobicContact CD2-CG2 3.83Å
180	K	98.8	Very high	98.7	Very high	120 Å²	120	39.4 Å²	39.4	52%	0.522	20%	0.2	S	C	.	.	H	α-helix	trans	-55.7	-45.7	171.8	-82.3	174.4	-179.4	-177.6	0	110.8	E107 R176 A177 E178 K184	E107-K180 IonicContact OE1-NZ 3.08Å; R176-K180 WeakPolarHBondContact O-CB 3.49Å; R176-K180 WeakPolarHBondContact O-CD 3.47Å; R176-K180 WeakPolarHBondContact O-CG 3.36Å; R176-K180 PolarHBondContact O-N 3.4Å; A177-K180 PolarHBondContact O-N 3.46Å; E178-K180 PolarHBondContact O-N 3.06Å; K180-K184 WeakPolarHBondContact O-CB 3.29Å; K180-K184 PolarHBondContact O-N 2.84Å; K180-K184 VanDerWaalsContact O-N 3.09Å
181	Q	98.8	Very high	98.8	Very high	23 Å²	23	39.4 Å²	39.4	11%	0.107	20%	0.2	C	C	.	.	H	α-helix	trans	-71.9	-43.1	-179.6	178.4	58.9	24.4	0	0	112.4	V110 V114 A177 E178 L179 I183 K184 Q185	V110-Q181 HydrophobicContact CG1-CB 3.5Å; V110-Q181 VanDerWaalsContact CG1-CB 3.5Å; V110-Q181 HydrophobicContact CG1-CG 3.81Å; V114-Q181 HydrophobicContact CG2-CG 3.82Å; A177-Q181 PolarHBondContact O-N 3.48Å; E178-Q181 PolarHBondContact O-N 2.86Å; E178-Q181 VanDerWaalsContact O-N 3.15Å; L179-Q181 VanDerWaalsContact C-N 3.28Å; L179-Q181 PolarHBondContact O-N 3.38Å; Q181-I183 VanDerWaalsContact C-N 3.35Å; Q181-I183 PolarHBondContact O-N 3.01Å; Q181-K184 PolarHBondContact O-N 3.02Å; Q181-Q185 WeakPolarHBondContact O-CB 3.45Å; Q181-Q185 WeakPolarHBondContact O-CG 3.21Å; Q181-Q185 PolarHBondContact O-N 2.86Å
182	M	98.9	Very high	98.8	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-62.4	-39.9	177.2	-70.1	-179.9	179.9	0	0	112.1	I120 D121 A123 E178 L179 Q185 G186 I191 I232	I120-M182 HydrophobicContact CG2-CE 4.05Å; D121-M182 WeakPolarHBondContact O-CE 3.34Å; A123-M182 HydrophobicContact CB-CE 4.48Å; E178-M182 WeakPolarHBondContact O-CG 3.19Å; E178-M182 PolarHBondContact O-N 3.46Å; L179-M182 PolarHBondContact O-N 3.38Å; M182-Q185 PolarHBondContact O-N 3.23Å; M182-G186 PolarHBondContact O-N 3.1Å; M182-I191 HydrophobicContact CE-CD1 4.21Å; M182-I191 HydrophobicContact CE-CG1 3.89Å; M182-I191 HydrophobicContact SD-CD1 4.07Å; M182-I191 HydrophobicContact SD-CG1 4.12Å; M182-I232 HydrophobicContact CB-CD1 3.6Å; M182-I232 HydrophobicContact CB-CG1 4.32Å; M182-I232 HydrophobicContact SD-CD1 4.41Å; M182-I232 HydrophobicContact SD-CG2 4.17Å
183	I	98.8	Very high	98.8	Very high	58 Å²	58	34.5 Å²	34.5	30%	0.297	18%	0.178	S	C	.	.	H	α-helix	trans	-62.7	-48.1	172.9	-71.4	163	0	0	0	111	L179 Q181 Q185 G186 Y227 Y230 I232	L179-I183 WeakPolarHBondContact O-CB 3.48Å; L179-I183 WeakPolarHBondContact O-CD1 3.24Å; L179-I183 VanDerWaalsContact O-CG1 3.26Å; L179-I183 WeakPolarHBondContact O-CG1 3.48Å; L179-I183 PolarHBondContact O-N 3.41Å; Q181-I183 VanDerWaalsContact C-N 3.35Å; Q181-I183 PolarHBondContact O-N 3.01Å; I183-Q185 PolarHBondContact O-N 3.45Å; I183-G186 PolarHBondContact O-N 3.38Å; I183-Y227 HydrophobicContact CD1-CD1 3.59Å; I183-Y227 HydrophobicContact CD1-CE1 3.39Å; I183-Y227 HydrophobicContact CG1-CD1 4.21Å; I183-Y227 HydrophobicContact CG1-CE1 4.44Å; I183-Y230 HydrophobicContact CD1-CD2 4.02Å; I183-Y230 HydrophobicContact CD1-CE2 3.78Å; I183-Y230 HydrophobicContact CG1-CD1 4.19Å; I183-Y230 HydrophobicContact CG1-CD2 3.78Å; I183-Y230 HydrophobicContact CG1-CE1 4.38Å; I183-Y230 HydrophobicContact CG1-CE2 3.98Å; I183-Y230 HydrophobicContact CG1-CG 3.88Å; I183-Y230 HydrophobicContact CG2-CD1 4.36Å; I183-Y230 HydrophobicContact CG2-CE1 4.16Å; I183-I232 HydrophobicContact CG1-CD1 4.32Å
184	K	98.7	Very high	98.7	Very high	163 Å²	163	33.6 Å²	33.6	71%	0.709	17%	0.174	S	C	*	.	H	α-helix	trans	-57.6	-38.5	179.5	176.7	-176.6	171.9	-171.8	0	111.7	K180 Q181	K180-K184 WeakPolarHBondContact O-CB 3.29Å; K180-K184 PolarHBondContact O-N 2.84Å; K180-K184 VanDerWaalsContact O-N 3.09Å; Q181-K184 PolarHBondContact O-N 3.02Å
185	Q	98.4	Very high	98.7	Very high	30 Å²	30	33.6 Å²	33.6	14%	0.14	17%	0.174	C	C	.	.	H	α-helix	trans	-67.3	-47.7	176.1	-78.6	171.7	-166.1	0	0	111.7	R119 I120 Q181 M182 I183 Q187	R119-Q185 VanDerWaalsContact CA-OE1 3.25Å; I120-Q185 PolarHBondContact O-NE2 2.98Å; Q181-Q185 WeakPolarHBondContact O-CB 3.45Å; Q181-Q185 WeakPolarHBondContact O-CG 3.21Å; Q181-Q185 PolarHBondContact O-N 2.86Å; M182-Q185 PolarHBondContact O-N 3.23Å; I183-Q185 PolarHBondContact O-N 3.45Å; Q185-Q187 VanDerWaalsContact CB-OE1 3.3Å; Q185-Q187 PolarHBondContact O-NE2 3.02Å; Q185-Q187 PolarHBondContact O-OE1 3Å
186	G	98.3	Very high	98.6	Very high	60 Å²	60	33.8 Å²	33.8	62%	0.619	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.4	21.6	175.6	0	0	0	0	0	115.1	M182 I183	M182-G186 PolarHBondContact O-N 3.1Å; I183-G186 PolarHBondContact O-N 3.38Å
187	Q	98.1	Very high	98.5	Very high	119 Å²	119	30.1 Å²	30.1	56%	0.556	16%	0.163	S	C	*	.	S	Bend	trans	-112.8	19.2	176.5	-63.9	81.2	27.7	0	0	113.5	Q185	Q185-Q187 VanDerWaalsContact CB-OE1 3.3Å; Q185-Q187 PolarHBondContact O-NE2 3.02Å; Q185-Q187 PolarHBondContact O-OE1 3Å
188	G	98.4	Very high	98.3	Very high	8 Å²	8	30.3 Å²	30.3	8%	0.082	16%	0.164	C	C	.	.			trans	68.3	-155.9	-174.6	0	0	0	0	0	112.8	Y230 G231	G188-Y230 VanDerWaalsContact CA-O 3.27Å; G188-Y230 WeakPolarHBondContact CA-O 3.34Å; G188-G231 WeakPolarHBondContact CA-O 3.5Å
189	G	98.7	Very high	98.1	Very high	15 Å²	15	30.5 Å²	30.5	16%	0.155	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.5	-176.8	179.1	0	0	0	0	0	112.6	D121 G231 I232 R233	D121-G189 WeakPolarHBondContact O-CA 3.23Å; G189-G231 PolarHBondContact N-O 3.48Å; G189-I232 WeakPolarHBondContact O-CA 3.42Å; G189-R233 PolarHBondContact O-N 3.17Å
190	A	98.9	Very high	98	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.008	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	140.6	173.8	0	0	0	0	0	112.2	D121 Y122 A123 R233 L297	D121-A190 PolarHBondContact O-N 3.21Å; Y122-A190 CarbonylContact C-O 3.44Å; Y122-A190 WeakPolarHBondContact CA-O 3.22Å; Y122-A190 HydrophobicContact CD1-CB 3.76Å; Y122-A190 HydrophobicContact CE1-CB 4.06Å; A123-A190 PolarHBondContact N-O 2.8Å; A190-R233 CarbonylContact C-O 3.28Å; A190-R233 VanDerWaalsContact CA-O 3.25Å; A190-R233 WeakPolarHBondContact CA-O 2.98Å; A190-R233 HydrophobicContact CB-CB 4.43Å; A190-L297 HydrophobicContact CB-CD2 4Å; A190-L297 WeakPolarHBondContact O-CD2 3.45Å
191	I	99	Very high	97.8	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	132.4	178	-55.1	179	0	0	0	109.1	A123 L175 E178 L179 M182 R233 V234 N235	A123-I191 HydrophobicContact CB-CG1 4.11Å; A123-I191 HydrophobicContact CB-CG2 4.18Å; A123-I191 WeakPolarHBondContact O-CA 3.47Å; L175-I191 HydrophobicContact CD2-CD1 3.87Å; L175-I191 HydrophobicContact CD2-CG2 3.83Å; E178-I191 HydrophobicContact CB-CD1 4.06Å; L179-I191 HydrophobicContact CD2-CD1 3.76Å; L179-I191 HydrophobicContact CG-CD1 4.01Å; M182-I191 HydrophobicContact CE-CD1 4.21Å; M182-I191 HydrophobicContact CE-CG1 3.89Å; M182-I191 HydrophobicContact SD-CD1 4.07Å; M182-I191 HydrophobicContact SD-CG1 4.12Å; I191-R233 PolarHBondContact N-O 3.13Å; I191-V234 HydrophobicContact CB-CG1 4.25Å; I191-V234 HydrophobicContact CB-CG2 4.34Å; I191-V234 WeakPolarHBondContact O-CA 3.25Å; I191-N235 PolarHBondContact O-N 3.05Å
192	V	99	Very high	97.5	Very high	0 Å²	0	32 Å²	32	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	117.7	170.6	176.5	0	0	0	0	109.3	A123 V124 N125 I194 N235 V237 I293 L296 L297	A123-V192 PolarHBondContact O-N 3.15Å; V124-V192 WeakPolarHBondContact CA-O 3.4Å; N125-V192 PolarHBondContact N-O 3.25Å; V192-I194 HydrophobicContact CG1-CD1 4.22Å; V192-N235 WeakPolarHBondContact CA-O 3.2Å; V192-V237 HydrophobicContact CG1-CG1 4.15Å; V192-V237 HydrophobicContact CG1-CG2 4.12Å; V192-I293 HydrophobicContact CB-CG2 4.28Å; V192-I293 HydrophobicContact CG1-CG1 4.21Å; V192-I293 HydrophobicContact CG1-CG2 4.15Å; V192-L296 HydrophobicContact CG2-CB 3.59Å; V192-L296 HydrophobicContact CG2-CD1 4.4Å; V192-L297 HydrophobicContact CB-CD2 4.34Å; V192-L297 HydrophobicContact CG2-CD2 3.75Å; V192-L297 HydrophobicContact CG2-CG 4Å
193	N	98.9	Very high	97	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	131.8	174.1	-59.4	-43.1	0	0	0	110.2	N125 V171 A195 I216 T220 N235 S236 V237	N125-N193 WeakPolarHBondContact CB-OD1 3.22Å; N125-N193 PolarHBondContact ND2-OD1 2.85Å; V171-N193 HydrophobicContact CG1-CB 4.47Å; N193-A195 PolarHBondContact O-N 3.14Å; N193-I216 HydrophobicContact CB-CG2 3.68Å; N193-T220 PolarHBondContact ND2-OG1 2.57Å; N193-N235 PolarHBondContact N-O 3.02Å; N193-S236 WeakPolarHBondContact O-CA 3.29Å; N193-S236 WeakPolarHBondContact O-CB 3.17Å; N193-V237 PolarHBondContact O-N 3.46Å; N193-V237 VanDerWaalsContact O-N 3.16Å
194	I	98.4	Very high	96.5	Very high	9 Å²	9	33 Å²	33	5%	0.046	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	99.6	176.8	-53.3	-52.3	0	0	0	109.7	V124 N125 A126 V192 K213 V237 M239 I293	V124-I194 HydrophobicContact CG1-CD1 4.1Å; V124-I194 HydrophobicContact CG1-CG1 4.23Å; N125-I194 WeakPolarHBondContact O-CB 3.18Å; N125-I194 WeakPolarHBondContact O-CG1 3.34Å; N125-I194 PolarHBondContact O-N 2.93Å; A126-I194 VanDerWaalsContact CA-CG1 3.48Å; A126-I194 HydrophobicContact CB-CB 4.3Å; A126-I194 HydrophobicContact CB-CG1 3.47Å; A126-I194 VanDerWaalsContact CB-CG1 3.47Å; V192-I194 HydrophobicContact CG1-CD1 4.22Å; I194-K213 PolarHBondContact O-NZ 3.09Å; I194-V237 HydrophobicContact CD1-CG2 3.33Å; I194-M239 HydrophobicContact CG2-CE 3.37Å; I194-M239 HydrophobicContact CG2-SD 3.99Å; I194-I293 HydrophobicContact CD1-CD1 3.64Å; I194-I293 HydrophobicContact CD1-CG1 4.06Å
195	A	97.9	Very high	96.1	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.008	18%	0.177	C	C	.	.			trans	-83.8	-136.7	170.5	0	0	0	0	0	109.6	N193 K213 I216 N217 V237 N238	N193-A195 PolarHBondContact O-N 3.14Å; A195-K213 PolarHBondContact O-NZ 3.44Å; A195-I216 HydrophobicContact CB-CG2 4.08Å; A195-N217 WeakPolarHBondContact CB-OD1 3.39Å; A195-V237 WeakPolarHBondContact CA-O 3.38Å; A195-V237 PolarHBondContact N-O 3.48Å; A195-N238 WeakPolarHBondContact CB-OD1 3.14Å
196	S	97.2	Very high	95.9	Very high	12 Å²	12	26.4 Å²	26.4	8%	0.084	18%	0.175	C	C	.	.			trans	-166.2	163.6	175	177.7	0	0	0	0	108.1	V198 G199 N238 M239	S196-V198 PolarHBondContact O-N 2.89Å; S196-V198 VanDerWaalsContact O-N 3.15Å; S196-V198 PolarHBondContact OG-N 3.18Å; S196-G199 WeakPolarHBondContact O-CA 3.41Å; S196-G199 PolarHBondContact O-N 3.01Å; S196-N238 WeakPolarHBondContact O-CB 3.19Å; S196-N238 PolarHBondContact O-OD1 3.09Å; S196-N238 VanDerWaalsContact O-OD1 3.14Å; S196-M239 CarbonylContact C-O 3.16Å; S196-M239 PolarHBondContact OG-O 3.17Å
197	A	96.7	Very high	95.8	Very high	3 Å²	3	24.8 Å²	24.8	3%	0.025	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-48.8	-34.9	162.6	0	0	0	0	0	111.1	G199 I200 V201 M239 D312 F315 T316	A197-G199 PolarHBondContact O-N 3.27Å; A197-I200 WeakPolarHBondContact O-CB 3.1Å; A197-I200 PolarHBondContact O-N 3.41Å; A197-V201 WeakPolarHBondContact O-CG2 3.22Å; A197-V201 PolarHBondContact O-N 2.87Å; A197-M239 PolarHBondContact N-O 2.99Å; A197-D312 HydrophobicContact CB-CB 4.21Å; A197-F315 HydrophobicContact CB-CD1 3.74Å; A197-F315 HydrophobicContact CB-CE1 4.3Å; A197-F315 HydrophobicContact CB-CG 4.39Å; A197-T316 HydrophobicContact CB-CG2 3.89Å
198	V	94.4	Very high	95.8	Very high	9 Å²	9	19.1 Å²	19.1	6%	0.055	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-73.6	-3.9	175.7	-47.1	0	0	0	0	114.6	S196 I200 V201 I203 Y209 K213 H214	S196-V198 PolarHBondContact O-N 2.89Å; S196-V198 VanDerWaalsContact O-N 3.15Å; S196-V198 PolarHBondContact OG-N 3.18Å; V198-I200 VanDerWaalsContact C-N 3.29Å; V198-V201 CarbonylContact C-O 3.57Å; V198-V201 WeakPolarHBondContact CA-O 3.49Å; V198-I203 HydrophobicContact CB-CG2 4.38Å; V198-I203 HydrophobicContact CG1-CB 3.93Å; V198-I203 HydrophobicContact CG1-CG2 3.67Å; V198-Y209 HydrophobicContact CG2-CD1 3.45Å; V198-Y209 VanDerWaalsContact CG2-CD1 3.45Å; V198-Y209 HydrophobicContact CG2-CE1 3.31Å; V198-K213 HydrophobicContact CG2-CB 3.99Å; V198-K213 HydrophobicContact CG2-CG 3.88Å; V198-H214 PolarHBondContact O-CE1 2.78Å; V198-H214 PolarHBondContact O-ND1 3.33Å
199	G	95.4	Very high	95.7	Very high	4 Å²	4	19.4 Å²	19.4	4%	0.041	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-84.7	-7.3	167.7	0	0	0	0	0	112.8	S196 A197 H214 N217	S196-G199 WeakPolarHBondContact O-CA 3.41Å; S196-G199 PolarHBondContact O-N 3.01Å; A197-G199 PolarHBondContact O-N 3.27Å; G199-H214 PolarHBondContact O-CD2 3.34Å; G199-N217 PolarHBondContact O-ND2 2.89Å
200	I	96.5	Very high	95.6	Very high	67 Å²	67	19.7 Å²	19.7	34%	0.344	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-41.9	176.1	-59.5	174.8	0	0	0	110	A197 V198 N238 I308 A310 T316	A197-I200 WeakPolarHBondContact O-CB 3.1Å; A197-I200 PolarHBondContact O-N 3.41Å; V198-I200 VanDerWaalsContact C-N 3.29Å; I200-N238 HydrophobicContact CD1-CB 3.56Å; I200-N238 HydrophobicContact CG1-CB 4.09Å; I200-I308 HydrophobicContact CD1-CG2 4.39Å; I200-I308 HydrophobicContact CG1-CG2 4.24Å; I200-A310 HydrophobicContact CD1-CB 4.11Å; I200-T316 HydrophobicContact CB-CG2 4.16Å; I200-T316 HydrophobicContact CD1-CG2 4.47Å; I200-T316 HydrophobicContact CG2-CG2 4.26Å
201	V	94.7	Very high	95.6	Very high	51 Å²	51	21.3 Å²	21.3	31%	0.309	14%	0.138	S	C	.	.	S	Bend	trans	-121.4	162.8	179.8	-58.4	0	0	0	0	111.3	A197 V198 H214 F315 T316	A197-V201 WeakPolarHBondContact O-CG2 3.22Å; A197-V201 PolarHBondContact O-N 2.87Å; V198-V201 CarbonylContact C-O 3.57Å; V198-V201 WeakPolarHBondContact CA-O 3.49Å; V201-H214 PolarHBondContact O-CE1 2.78Å; V201-F315 HydrophobicContact CG2-CE1 4.4Å; V201-T316 HydrophobicContact CG1-CG2 3.94Å; V201-T316 HydrophobicContact CG2-CG2 4.01Å
202	G	91.7	Very high	95.6	Very high	61 Å²	61	21.3 Å²	21.3	63%	0.629	14%	0.138	S	C	*	.			trans	-81.3	151	169.1	0	0	0	0	0	112.3
203	I	88.7	Confident	95.6	Very high	40 Å²	40	21.6 Å²	21.6	21%	0.205	14%	0.139	C	C	.	.			trans	-124.8	144.4	164.5	-160.4	169	0	0	0	110.4	V198 M206 L268	V198-I203 HydrophobicContact CB-CG2 4.38Å; V198-I203 HydrophobicContact CG1-CB 3.93Å; V198-I203 HydrophobicContact CG1-CG2 3.67Å; I203-M206 HydrophobicContact CG2-CB 3.7Å; I203-M206 HydrophobicContact CG2-CG 3.8Å; I203-M206 HydrophobicContact CG2-SD 3.59Å; I203-M206 VanDerWaalsContact CG2-SD 3.59Å; I203-L268 HydrophobicContact CD1-CD2 3.97Å; I203-L268 HydrophobicContact CG1-CD2 4Å
204	S	88.6	Confident	95.6	Very high	38 Å²	38	25.2 Å²	25.2	27%	0.266	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	149.4	179.8	-164.3	0	0	0	0	111.3	M206	S204-M206 PolarHBondContact O-N 2.65Å; S204-M206 VanDerWaalsContact O-N 3.13Å
205	Y	90.9	Very high	95.6	Very high	34 Å²	34	26.7 Å²	26.7	13%	0.133	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	-1.2	177	-63.7	-96.1	0	0	0	117.1	T149 A150 P151 P207 M262 F263 N264	T149-Y205 CarbonylContact C-O 3.57Å; T149-Y205 WeakPolarHBondContact CB-O 3.49Å; T149-Y205 PolarHBondContact OG1-O 3.29Å; A150-Y205 CarbonylContact C-O 3.59Å; A150-Y205 PolarHBondContact N-O 2.6Å; A150-Y205 CarbonylContact O-C 3.5Å; P151-Y205 HydrophobicContact CG-CD1 3.54Å; P151-Y205 HydrophobicContact CG-CE1 3.28Å; P151-Y205 HydrophobicContact CG-CG 4.46Å; Y205-P207 VanDerWaalsContact O-CD 3.31Å; Y205-P207 WeakPolarHBondContact O-CD 3.43Å; Y205-M262 WeakPolarHBondContact CE1-O 3.39Å; Y205-F263 AromaticContact CD1-CD2 3.86Å; Y205-F263 HydrophobicContact CD1-CD2 3.86Å; Y205-F263 HydrophobicContact CD1-CE2 4.07Å; Y205-F263 AromaticContact CD2-CD2 3.75Å; Y205-F263 HydrophobicContact CD2-CD2 3.75Å; Y205-F263 AromaticContact CD2-CE2 3.31Å; Y205-F263 HydrophobicContact CD2-CE2 3.31Å; Y205-F263 AromaticContact CD2-CZ 3.81Å; Y205-F263 HydrophobicContact CD2-CZ 3.81Å; Y205-F263 HydrophobicContact CE1-CD2 4.13Å; Y205-F263 HydrophobicContact CE2-CD2 4.02Å; Y205-F263 AromaticContact CE2-CE2 3.96Å; Y205-F263 HydrophobicContact CE2-CE2 3.96Å; Y205-F263 HydrophobicContact CE2-CG 4.47Å; Y205-F263 HydrophobicContact CE2-CZ 4.31Å; Y205-F263 AromaticContact CG-CD2 3.71Å; Y205-F263 HydrophobicContact CG-CD2 3.71Å; Y205-F263 AromaticContact CG-CE2 3.43Å; Y205-F263 HydrophobicContact CG-CE2 3.43Å; Y205-F263 VanDerWaalsContact CG-CE2 3.43Å; Y205-F263 HydrophobicContact CG-CZ 4.35Å; Y205-N264 PolarHBondContact OH-N 2.91Å
206	M	93.5	Very high	95.6	Very high	22 Å²	22	26.7 Å²	26.7	11%	0.108	17%	0.169	C	C	.	.			trans	-120.6	59.5	-175.1	-53.1	-175	76.9	0	0	113.8	T130 T149 I203 S204 Y209 T210	T130-M206 HydrophobicContact CG2-CE 3.82Å; T149-M206 HydrophobicContact CG2-CG 4.39Å; T149-M206 VanDerWaalsContact OG1-CA 3.31Å; T149-M206 WeakPolarHBondContact OG1-CA 3.32Å; T149-M206 WeakPolarHBondContact OG1-CG 3.4Å; I203-M206 HydrophobicContact CG2-CB 3.7Å; I203-M206 HydrophobicContact CG2-CG 3.8Å; I203-M206 HydrophobicContact CG2-SD 3.59Å; I203-M206 VanDerWaalsContact CG2-SD 3.59Å; S204-M206 PolarHBondContact O-N 2.65Å; S204-M206 VanDerWaalsContact O-N 3.13Å; M206-Y209 HydrophobicContact CE-CD1 3.47Å; M206-Y209 VanDerWaalsContact CE-CD1 3.47Å; M206-Y209 HydrophobicContact CE-CE1 4.13Å; M206-Y209 HydrophobicContact CE-CG 3.83Å; M206-Y209 HydrophobicContact SD-CD1 4.25Å; M206-T210 WeakPolarHBondContact O-CB 3.32Å; M206-T210 PolarHBondContact O-N 2.79Å; M206-T210 PolarHBondContact O-OG1 3.27Å
207	P	96	Very high	95.7	Very high	25 Å²	25	26.6 Å²	26.6	16%	0.162	17%	0.168	C	C	.	.	H	α-helix	trans	-64.8	-47.1	-173	25.6	-32.9	0	0	0	112.9	A150 I152 A155 Y159 Y205 T210 A211	A150-P207 WeakPolarHBondContact O-CD 3.39Å; I152-P207 HydrophobicContact CB-CB 4.41Å; I152-P207 HydrophobicContact CG1-CB 4.36Å; A155-P207 HydrophobicContact CB-CG 4.06Å; Y159-P207 HydrophobicContact CE1-CG 4.16Å; Y205-P207 VanDerWaalsContact O-CD 3.31Å; Y205-P207 WeakPolarHBondContact O-CD 3.43Å; P207-T210 PolarHBondContact O-N 3.47Å; P207-A211 VanDerWaalsContact O-CB 3.3Å; P207-A211 WeakPolarHBondContact O-CB 3.23Å; P207-A211 PolarHBondContact O-N 2.98Å
208	A	97.8	Very high	95.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-68.1	-40.3	-178.4	0	0	0	0	0	111.9	Y159 W160 V163 S212	Y159-A208 HydrophobicContact CD1-CB 4.14Å; Y159-A208 HydrophobicContact CE1-CB 3.47Å; Y159-A208 VanDerWaalsContact CE1-CB 3.47Å; Y159-A208 HydrophobicContact CE2-CB 4.46Å; W160-A208 HydrophobicContact CD2-CB 4.35Å; W160-A208 HydrophobicContact CE3-CB 3.67Å; W160-A208 HydrophobicContact CZ3-CB 4.25Å; V163-A208 HydrophobicContact CB-CB 3.84Å; V163-A208 HydrophobicContact CG1-CB 3.77Å; A208-S212 VanDerWaalsContact O-CB 3.22Å; A208-S212 WeakPolarHBondContact O-CB 3.49Å; A208-S212 PolarHBondContact O-N 2.84Å; A208-S212 PolarHBondContact O-OG 3.43Å
209	Y	97.1	Very high	96	Very high	14 Å²	14	29.8 Å²	29.8	6%	0.055	19%	0.194	C	C	.	.	H	α-helix	trans	-67.4	-43.2	176.6	-173.2	-110.5	0	0	0	111.8	V129 T130 V198 M206 S212 K213	V129-Y209 WeakPolarHBondContact O-CD2 3.45Å; V129-Y209 WeakPolarHBondContact O-CE2 3.22Å; T130-Y209 HydrophobicContact CG2-CD2 4.07Å; T130-Y209 HydrophobicContact CG2-CE1 4.32Å; T130-Y209 HydrophobicContact CG2-CE2 3.78Å; T130-Y209 HydrophobicContact CG2-CG 4.44Å; V198-Y209 HydrophobicContact CG2-CD1 3.45Å; V198-Y209 VanDerWaalsContact CG2-CD1 3.45Å; V198-Y209 HydrophobicContact CG2-CE1 3.31Å; M206-Y209 HydrophobicContact CE-CD1 3.47Å; M206-Y209 VanDerWaalsContact CE-CD1 3.47Å; M206-Y209 HydrophobicContact CE-CE1 4.13Å; M206-Y209 HydrophobicContact CE-CG 3.83Å; M206-Y209 HydrophobicContact SD-CD1 4.25Å; Y209-S212 PolarHBondContact O-N 3.39Å; Y209-S212 PolarHBondContact O-OG 3.32Å; Y209-K213 HydrophobicContact CD1-CG 4.48Å; Y209-K213 HydrophobicContact CD2-CG 4.37Å; Y209-K213 HydrophobicContact CE1-CG 4.17Å; Y209-K213 HydrophobicContact CE2-CD 4.31Å; Y209-K213 VanDerWaalsContact CE2-CE 3.48Å; Y209-K213 HydrophobicContact CE2-CG 4.09Å; Y209-K213 WeakPolarHBondContact O-CB 3.48Å; Y209-K213 WeakPolarHBondContact O-CG 3.43Å; Y209-K213 PolarHBondContact O-N 3.3Å; Y209-K213 WeakPolarHBondContact OH-CE 3.47Å
210	T	97.1	Very high	96.2	Very high	22 Å²	22	29.6 Å²	29.6	14%	0.135	19%	0.192	C	C	.	.	H	α-helix	trans	-59.7	-51.1	175	-60.9	0	0	0	0	110.5	M206 P207 S212 K213 H214	M206-T210 WeakPolarHBondContact O-CB 3.32Å; M206-T210 PolarHBondContact O-N 2.79Å; M206-T210 PolarHBondContact O-OG1 3.27Å; P207-T210 PolarHBondContact O-N 3.47Å; T210-S212 VanDerWaalsContact C-N 3.35Å; T210-S212 PolarHBondContact O-N 3.18Å; T210-K213 PolarHBondContact O-N 3.11Å; T210-H214 PolarHBondContact O-N 3.11Å; T210-H214 PolarHBondContact O-ND1 2.88Å
211	A	98.4	Very high	96.3	Very high	35 Å²	35	31.8 Å²	31.8	29%	0.289	20%	0.199	S	C	.	.	H	α-helix	trans	-60.3	-44	179.2	0	0	0	0	0	111.8	W160 I164 P207 K213 H214 A215	W160-A211 HydrophobicContact CH2-CB 3.78Å; W160-A211 HydrophobicContact CZ3-CB 3.99Å; I164-A211 HydrophobicContact CD1-CB 4.34Å; P207-A211 VanDerWaalsContact O-CB 3.3Å; P207-A211 WeakPolarHBondContact O-CB 3.23Å; P207-A211 PolarHBondContact O-N 2.98Å; A211-K213 PolarHBondContact O-N 3.12Å; A211-H214 PolarHBondContact O-N 3.07Å; A211-A215 WeakPolarHBondContact O-CB 3.47Å; A211-A215 PolarHBondContact O-N 2.81Å
212	S	98.7	Very high	96.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-65.2	-41	-179.3	79.7	0	0	0	0	112.5	N167 A208 Y209 T210 A215 I216	N167-S212 VanDerWaalsContact CB-OG 3.23Å; N167-S212 WeakPolarHBondContact CB-OG 3.31Å; N167-S212 PolarHBondContact ND2-OG 2.9Å; A208-S212 VanDerWaalsContact O-CB 3.22Å; A208-S212 WeakPolarHBondContact O-CB 3.49Å; A208-S212 PolarHBondContact O-N 2.84Å; A208-S212 PolarHBondContact O-OG 3.43Å; Y209-S212 PolarHBondContact O-N 3.39Å; Y209-S212 PolarHBondContact O-OG 3.32Å; T210-S212 VanDerWaalsContact C-N 3.35Å; T210-S212 PolarHBondContact O-N 3.18Å; S212-A215 WeakPolarHBondContact O-CB 3.26Å; S212-A215 PolarHBondContact O-N 2.86Å; S212-I216 WeakPolarHBondContact O-CG1 3.25Å; S212-I216 PolarHBondContact O-N 3.03Å
213	K	98.5	Very high	96.8	Very high	6 Å²	6	30.3 Å²	30.3	3%	0.026	18%	0.175	C	C	.	.	H	α-helix	trans	-71.2	-32.6	178.2	-66.1	-52	-164	174.3	0	112.7	I194 A195 V198 Y209 T210 A211 I216 N217	I194-K213 PolarHBondContact O-NZ 3.09Å; A195-K213 PolarHBondContact O-NZ 3.44Å; V198-K213 HydrophobicContact CG2-CB 3.99Å; V198-K213 HydrophobicContact CG2-CG 3.88Å; Y209-K213 HydrophobicContact CD1-CG 4.48Å; Y209-K213 HydrophobicContact CD2-CG 4.37Å; Y209-K213 HydrophobicContact CE1-CG 4.17Å; Y209-K213 HydrophobicContact CE2-CD 4.31Å; Y209-K213 VanDerWaalsContact CE2-CE 3.48Å; Y209-K213 HydrophobicContact CE2-CG 4.09Å; Y209-K213 WeakPolarHBondContact O-CB 3.48Å; Y209-K213 WeakPolarHBondContact O-CG 3.43Å; Y209-K213 PolarHBondContact O-N 3.3Å; Y209-K213 WeakPolarHBondContact OH-CE 3.47Å; T210-K213 PolarHBondContact O-N 3.11Å; A211-K213 PolarHBondContact O-N 3.12Å; K213-I216 HydrophobicContact CD-CD1 3.72Å; K213-I216 PolarHBondContact O-N 2.92Å; K213-N217 PolarHBondContact O-N 2.89Å
214	H	98.7	Very high	97.3	Very high	77 Å²	77	28.7 Å²	28.7	36%	0.356	17%	0.168	S	C	.	.	H	α-helix	trans	-65.3	-41.1	168.8	-77.1	78	0	0	0	111.7	V198 G199 V201 T210 A211 I216 N217 G218	V198-H214 PolarHBondContact O-CE1 2.78Å; V198-H214 PolarHBondContact O-ND1 3.33Å; G199-H214 PolarHBondContact O-CD2 3.34Å; V201-H214 PolarHBondContact O-CE1 2.78Å; T210-H214 PolarHBondContact O-N 3.11Å; T210-H214 PolarHBondContact O-ND1 2.88Å; A211-H214 PolarHBondContact O-N 3.07Å; H214-I216 VanDerWaalsContact C-N 3.3Å; H214-I216 PolarHBondContact O-N 3.05Å; H214-N217 WeakPolarHBondContact O-CB 3.35Å; H214-N217 PolarHBondContact O-N 3.36Å; H214-N217 VanDerWaalsContact O-N 3.12Å; H214-G218 PolarHBondContact O-N 3Å
215	A	98.8	Very high	97.8	Very high	40 Å²	40	33.1 Å²	33.1	33%	0.331	19%	0.187	S	C	.	.	H	α-helix	trans	-60.8	-39	176.7	0	0	0	0	0	112	A168 A211 S212 N217 G218 L219	A168-A215 HydrophobicContact CB-CB 3.86Å; A211-A215 WeakPolarHBondContact O-CB 3.47Å; A211-A215 PolarHBondContact O-N 2.81Å; S212-A215 WeakPolarHBondContact O-CB 3.26Å; S212-A215 PolarHBondContact O-N 2.86Å; A215-N217 VanDerWaalsContact C-N 3.3Å; A215-N217 PolarHBondContact O-N 3.45Å; A215-G218 WeakPolarHBondContact O-CA 3.5Å; A215-G218 PolarHBondContact O-N 3.25Å; A215-G218 VanDerWaalsContact O-N 3.12Å; A215-L219 WeakPolarHBondContact O-CG 3.26Å; A215-L219 PolarHBondContact O-N 2.85Å
216	I	98.9	Very high	98.2	Very high	1 Å²	1	35 Å²	35	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-58.6	-41.3	174.1	-67.9	171.7	0	0	0	111.6	V171 N193 A195 S212 K213 H214 G218 L219 T220	V171-I216 HydrophobicContact CB-CG1 4.21Å; V171-I216 HydrophobicContact CG1-CG1 4.39Å; V171-I216 HydrophobicContact CG1-CG2 4.46Å; V171-I216 HydrophobicContact CG2-CD1 3.89Å; V171-I216 HydrophobicContact CG2-CG1 3.93Å; N193-I216 HydrophobicContact CB-CG2 3.68Å; A195-I216 HydrophobicContact CB-CG2 4.08Å; S212-I216 WeakPolarHBondContact O-CG1 3.25Å; S212-I216 PolarHBondContact O-N 3.03Å; K213-I216 HydrophobicContact CD-CD1 3.72Å; K213-I216 PolarHBondContact O-N 2.92Å; H214-I216 VanDerWaalsContact C-N 3.3Å; H214-I216 PolarHBondContact O-N 3.05Å; I216-G218 VanDerWaalsContact C-N 3.35Å; I216-L219 PolarHBondContact O-N 2.99Å; I216-T220 WeakPolarHBondContact O-CB 3.42Å; I216-T220 PolarHBondContact O-N 3.46Å; I216-T220 PolarHBondContact O-OG1 3.4Å
217	N	98.8	Very high	98.5	Very high	10 Å²	10	36.8 Å²	36.8	5%	0.053	21%	0.205	C	C	.	.	H	α-helix	trans	-66.7	-36.7	175.9	-74.9	-21.2	0	0	0	112.2	A195 G199 K213 H214 A215 T220 K221 S236 N238 I308	A195-N217 WeakPolarHBondContact CB-OD1 3.39Å; G199-N217 PolarHBondContact O-ND2 2.89Å; K213-N217 PolarHBondContact O-N 2.89Å; H214-N217 WeakPolarHBondContact O-CB 3.35Å; H214-N217 PolarHBondContact O-N 3.36Å; H214-N217 VanDerWaalsContact O-N 3.12Å; A215-N217 VanDerWaalsContact C-N 3.3Å; A215-N217 PolarHBondContact O-N 3.45Å; N217-T220 PolarHBondContact O-N 3.32Å; N217-K221 WeakPolarHBondContact O-CG 3.4Å; N217-K221 PolarHBondContact O-N 3.36Å; N217-S236 WeakPolarHBondContact OD1-CB 3.41Å; N217-S236 PolarHBondContact OD1-OG 3.13Å; N217-N238 PolarHBondContact ND2-OD1 3.46Å; N217-N238 PolarHBondContact OD1-OD1 3.18Å; N217-I308 HydrophobicContact CB-CD1 3.89Å; N217-I308 HydrophobicContact CB-CG2 4.49Å
218	G	98.8	Very high	98.6	Very high	41 Å²	41	38.1 Å²	38.1	42%	0.423	22%	0.218	S	C	.	.	H	α-helix	trans	-62.2	-49.6	171.3	0	0	0	0	0	112.7	H214 A215 I216 T220 K221 N222	H214-G218 PolarHBondContact O-N 3Å; A215-G218 WeakPolarHBondContact O-CA 3.5Å; A215-G218 PolarHBondContact O-N 3.25Å; A215-G218 VanDerWaalsContact O-N 3.12Å; I216-G218 VanDerWaalsContact C-N 3.35Å; G218-T220 VanDerWaalsContact C-N 3.29Å; G218-T220 PolarHBondContact O-N 3.31Å; G218-K221 PolarHBondContact O-N 2.86Å; G218-N222 PolarHBondContact O-N 3.33Å
219	L	98.9	Very high	98.6	Very high	37 Å²	37	45.8 Å²	45.8	19%	0.194	25%	0.252	C	S	.	.	H	α-helix	trans	-59.5	-39.7	176.4	-71.4	172.1	0	0	0	111.8	V171 F172 L175 A215 I216 N222 A223	V171-L219 HydrophobicContact CG1-CD1 4.17Å; F172-L219 HydrophobicContact CB-CD1 4.03Å; F172-L219 HydrophobicContact CD2-CD2 4.15Å; L175-L219 HydrophobicContact CD1-CB 4.11Å; A215-L219 WeakPolarHBondContact O-CG 3.26Å; A215-L219 PolarHBondContact O-N 2.85Å; I216-L219 PolarHBondContact O-N 2.99Å; L219-N222 PolarHBondContact O-N 3.01Å; L219-A223 VanDerWaalsContact O-CB 3.29Å; L219-A223 WeakPolarHBondContact O-CB 3.38Å; L219-A223 PolarHBondContact O-N 3.48Å
220	T	98.9	Very high	98.7	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-60.1	-48.8	177.2	-63.4	0	0	0	0	111.4	N193 I216 N217 G218 A224 V234 I308	N193-T220 PolarHBondContact ND2-OG1 2.57Å; I216-T220 WeakPolarHBondContact O-CB 3.42Å; I216-T220 PolarHBondContact O-N 3.46Å; I216-T220 PolarHBondContact O-OG1 3.4Å; N217-T220 PolarHBondContact O-N 3.32Å; G218-T220 VanDerWaalsContact C-N 3.29Å; G218-T220 PolarHBondContact O-N 3.31Å; T220-A224 WeakPolarHBondContact O-CB 3.43Å; T220-A224 PolarHBondContact O-N 2.94Å; T220-V234 HydrophobicContact CG2-CG1 4.24Å; T220-I308 HydrophobicContact CG2-CD1 4.06Å
221	K	98.9	Very high	98.8	Very high	113 Å²	113	51 Å²	51	49%	0.491	29%	0.285	S	S	.	.	H	α-helix	trans	-64.7	-44.6	177.8	-68.9	174.3	-174.6	176	0	111.7	N217 G218 A224 I225 I308	N217-K221 WeakPolarHBondContact O-CG 3.4Å; N217-K221 PolarHBondContact O-N 3.36Å; G218-K221 PolarHBondContact O-N 2.86Å; K221-A224 PolarHBondContact O-N 3.01Å; K221-I225 WeakPolarHBondContact O-CG1 3.22Å; K221-I225 PolarHBondContact O-N 2.95Å; K221-I225 VanDerWaalsContact O-N 3.09Å; K221-I308 HydrophobicContact CG-CD1 4.25Å
222	N	98.9	Very high	98.8	Very high	80 Å²	80	49.5 Å²	49.5	43%	0.428	27%	0.272	S	S	.	.	H	α-helix	trans	-59.2	-50.5	177.4	165.9	-108.6	0	0	0	111.3	G218 L219 A224 I225 D226	G218-N222 PolarHBondContact O-N 3.33Å; L219-N222 PolarHBondContact O-N 3.01Å; N222-A224 VanDerWaalsContact C-N 3.32Å; N222-A224 PolarHBondContact O-N 2.81Å; N222-I225 PolarHBondContact O-N 3.25Å; N222-I225 VanDerWaalsContact O-N 3.14Å; N222-D226 PolarHBondContact ND2-OD2 3.43Å; N222-D226 PolarHBondContact O-N 3.5Å
223	A	98.9	Very high	98.8	Very high	2 Å²	2	50.9 Å²	50.9	2%	0.017	28%	0.277	C	S	.	.	H	α-helix	trans	-64.6	-35.5	179.1	0	0	0	0	0	112.3	L179 L219 I225 Y227 V234	L179-A223 HydrophobicContact CD1-CB 4.25Å; L219-A223 VanDerWaalsContact O-CB 3.29Å; L219-A223 WeakPolarHBondContact O-CB 3.38Å; L219-A223 PolarHBondContact O-N 3.48Å; A223-I225 VanDerWaalsContact C-N 3.33Å; A223-I225 PolarHBondContact O-N 3.39Å; A223-Y227 HydrophobicContact CB-CD2 4.27Å; A223-Y227 WeakPolarHBondContact O-CB 3.49Å; A223-Y227 WeakPolarHBondContact O-CD2 3.4Å; A223-Y227 PolarHBondContact O-N 3.38Å; A223-Y227 VanDerWaalsContact O-N 3.13Å; A223-V234 HydrophobicContact CB-CB 4.22Å; A223-V234 HydrophobicContact CB-CG1 4.05Å; A223-V234 HydrophobicContact CB-CG2 3.98Å
224	A	98.9	Very high	98.8	Very high	6 Å²	6	50.6 Å²	50.6	5%	0.05	28%	0.276	C	S	.	.	H	α-helix	trans	-61	-41.9	173.5	0	0	0	0	0	112.4	T220 K221 N222 A228 V234 T305 G306	T220-A224 WeakPolarHBondContact O-CB 3.43Å; T220-A224 PolarHBondContact O-N 2.94Å; K221-A224 PolarHBondContact O-N 3.01Å; N222-A224 VanDerWaalsContact C-N 3.32Å; N222-A224 PolarHBondContact O-N 2.81Å; A224-A228 VanDerWaalsContact O-CB 3.28Å; A224-A228 WeakPolarHBondContact O-CB 3.12Å; A224-A228 PolarHBondContact O-N 2.93Å; A224-V234 HydrophobicContact CB-CB 4.37Å; A224-T305 WeakPolarHBondContact CB-OG1 3.35Å; A224-G306 VanDerWaalsContact CB-N 3.28Å
225	I	98.8	Very high	98.8	Very high	130 Å²	130	47 Å²	47	67%	0.667	26%	0.259	S	S	*	.	H	α-helix	trans	-67.2	-51.8	179	-68.3	163.9	0	0	0	110.8	K221 N222 A223 Y227	K221-I225 WeakPolarHBondContact O-CG1 3.22Å; K221-I225 PolarHBondContact O-N 2.95Å; K221-I225 VanDerWaalsContact O-N 3.09Å; N222-I225 PolarHBondContact O-N 3.25Å; N222-I225 VanDerWaalsContact O-N 3.14Å; A223-I225 VanDerWaalsContact C-N 3.33Å; A223-I225 PolarHBondContact O-N 3.39Å; I225-Y227 VanDerWaalsContact C-N 3.29Å; I225-Y227 PolarHBondContact O-N 3.05Å
226	D	98.8	Very high	98.8	Very high	75 Å²	75	45.1 Å²	45.1	40%	0.401	24%	0.244	S	C	.	.	H	α-helix	trans	-70.6	-27.6	-170.6	-71.3	-18.2	0	0	0	112.7	N222	N222-D226 PolarHBondContact ND2-OD2 3.43Å; N222-D226 PolarHBondContact O-N 3.5Å
227	Y	98.8	Very high	98.8	Very high	58 Å²	58	45 Å²	45	23%	0.227	24%	0.243	C	C	.	.	H	α-helix	trans	-114	-3.2	-169.8	-58.7	-93.5	0	0	0	115.3	L179 I183 A223 I225 K229 Y230 I232	L179-Y227 HydrophobicContact CB-CD1 4.08Å; L179-Y227 HydrophobicContact CB-CE1 3.71Å; L179-Y227 HydrophobicContact CD1-CD1 4.36Å; L179-Y227 HydrophobicContact CD1-CD2 3.84Å; L179-Y227 HydrophobicContact CD1-CE1 4.1Å; L179-Y227 HydrophobicContact CD1-CE2 3.57Å; L179-Y227 HydrophobicContact CD1-CG 4.23Å; L179-Y227 HydrophobicContact CD2-CD1 3.92Å; L179-Y227 HydrophobicContact CD2-CD2 4.24Å; L179-Y227 HydrophobicContact CD2-CE1 4.34Å; L179-Y227 HydrophobicContact CD2-CG 3.85Å; L179-Y227 HydrophobicContact CG-CD1 4.35Å; L179-Y227 HydrophobicContact CG-CE1 4.27Å; L179-Y227 HydrophobicContact CG-CG 4.49Å; I183-Y227 HydrophobicContact CD1-CD1 3.59Å; I183-Y227 HydrophobicContact CD1-CE1 3.39Å; I183-Y227 HydrophobicContact CG1-CD1 4.21Å; I183-Y227 HydrophobicContact CG1-CE1 4.44Å; A223-Y227 HydrophobicContact CB-CD2 4.27Å; A223-Y227 WeakPolarHBondContact O-CB 3.49Å; A223-Y227 WeakPolarHBondContact O-CD2 3.4Å; A223-Y227 PolarHBondContact O-N 3.38Å; A223-Y227 VanDerWaalsContact O-N 3.13Å; I225-Y227 VanDerWaalsContact C-N 3.29Å; I225-Y227 PolarHBondContact O-N 3.05Å; Y227-K229 PolarHBondContact O-N 3.32Å; Y227-Y230 AromaticContact CD1-CD2 3.88Å; Y227-Y230 HydrophobicContact CD1-CD2 3.88Å; Y227-Y230 HydrophobicContact CD1-CE2 4.07Å; Y227-Y230 HydrophobicContact CG-CD2 4.45Å; Y227-Y230 PolarHBondContact O-N 3.43Å; Y227-I232 PolarHBondContact O-N 3.01Å
228	A	98.7	Very high	98.8	Very high	53 Å²	53	44.6 Å²	44.6	44%	0.438	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-54.7	-36.5	172.9	0	0	0	0	0	112.7	A224 Y230 G231	A224-A228 VanDerWaalsContact O-CB 3.28Å; A224-A228 WeakPolarHBondContact O-CB 3.12Å; A224-A228 PolarHBondContact O-N 2.93Å; A228-Y230 PolarHBondContact O-N 2.9Å; A228-Y230 VanDerWaalsContact O-N 3.11Å; A228-G231 PolarHBondContact O-N 2.82Å
229	K	98.5	Very high	98.7	Very high	162 Å²	162	44 Å²	44	70%	0.704	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-62	-16.8	176.7	67.1	178.8	176.1	179.1	0	114.5	Y227	Y227-K229 PolarHBondContact O-N 3.32Å
230	Y	98.7	Very high	98.5	Very high	96 Å²	96	42.7 Å²	42.7	38%	0.376	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-98.5	8.3	175.6	-56.3	-70.1	0	0	0	112.6	I183 G188 Y227 A228 I232	I183-Y230 HydrophobicContact CD1-CD2 4.02Å; I183-Y230 HydrophobicContact CD1-CE2 3.78Å; I183-Y230 HydrophobicContact CG1-CD1 4.19Å; I183-Y230 HydrophobicContact CG1-CD2 3.78Å; I183-Y230 HydrophobicContact CG1-CE1 4.38Å; I183-Y230 HydrophobicContact CG1-CE2 3.98Å; I183-Y230 HydrophobicContact CG1-CG 3.88Å; I183-Y230 HydrophobicContact CG2-CD1 4.36Å; I183-Y230 HydrophobicContact CG2-CE1 4.16Å; G188-Y230 VanDerWaalsContact CA-O 3.27Å; G188-Y230 WeakPolarHBondContact CA-O 3.34Å; Y227-Y230 AromaticContact CD1-CD2 3.88Å; Y227-Y230 HydrophobicContact CD1-CD2 3.88Å; Y227-Y230 HydrophobicContact CD1-CE2 4.07Å; Y227-Y230 HydrophobicContact CG-CD2 4.45Å; Y227-Y230 PolarHBondContact O-N 3.43Å; A228-Y230 PolarHBondContact O-N 2.9Å; A228-Y230 VanDerWaalsContact O-N 3.11Å; Y230-I232 VanDerWaalsContact C-N 3.28Å; Y230-I232 PolarHBondContact O-N 3.17Å
231	G	98.5	Very high	98.2	Very high	50 Å²	50	45.9 Å²	45.9	52%	0.515	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	24	-174.8	0	0	0	0	0	113.3	G188 G189 A228	G188-G231 WeakPolarHBondContact CA-O 3.5Å; G189-G231 PolarHBondContact N-O 3.48Å; A228-G231 PolarHBondContact O-N 2.82Å
232	I	98.9	Very high	98.1	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.01	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	125.7	179.3	-57.6	168.5	0	0	0	109.4	L179 M182 I183 G189 Y227 Y230 V234	L179-I232 HydrophobicContact CD2-CD1 4.05Å; L179-I232 HydrophobicContact CD2-CG2 3.83Å; M182-I232 HydrophobicContact CB-CD1 3.6Å; M182-I232 HydrophobicContact CB-CG1 4.32Å; M182-I232 HydrophobicContact SD-CD1 4.41Å; M182-I232 HydrophobicContact SD-CG2 4.17Å; I183-I232 HydrophobicContact CG1-CD1 4.32Å; G189-I232 WeakPolarHBondContact O-CA 3.42Å; Y227-I232 PolarHBondContact O-N 3.01Å; Y230-I232 VanDerWaalsContact C-N 3.28Å; Y230-I232 PolarHBondContact O-N 3.17Å; I232-V234 HydrophobicContact CG2-CG2 4.14Å
233	R	98.9	Very high	97.9	Very high	30 Å²	30	42.2 Å²	42.2	11%	0.113	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	136.5	174.7	-60.8	-178.6	-61.3	92.8	2.4	110.2	G189 A190 I191 L296 L297 S298 A301 L304 T305	G189-R233 PolarHBondContact O-N 3.17Å; A190-R233 CarbonylContact C-O 3.28Å; A190-R233 VanDerWaalsContact CA-O 3.25Å; A190-R233 WeakPolarHBondContact CA-O 2.98Å; A190-R233 HydrophobicContact CB-CB 4.43Å; I191-R233 PolarHBondContact N-O 3.13Å; R233-L296 PolarHBondContact NH1-O 2.98Å; R233-L296 PolarHBondContact NH2-O 2.96Å; R233-L297 PolarHBondContact NH2-O 3.39Å; R233-S298 PolarHBondContact NH2-O 3.05Å; R233-A301 WeakPolarHBondContact CD-O 3.23Å; R233-A301 PolarHBondContact NE-O 2.92Å; R233-A301 PolarHBondContact NH1-O 3.09Å; R233-A301 VanDerWaalsContact NH1-O 3.13Å; R233-L304 WeakPolarHBondContact CD-O 3.24Å; R233-L304 PolarHBondContact NH1-O 3.41Å; R233-T305 WeakPolarHBondContact CA-OG1 3.26Å
234	V	99	Very high	97.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	121.3	178	-171.2	0	0	0	0	109.2	L175 I191 T220 A223 A224 I232 T305 G306	L175-V234 HydrophobicContact CD2-CG1 4.33Å; I191-V234 HydrophobicContact CB-CG1 4.25Å; I191-V234 HydrophobicContact CB-CG2 4.34Å; I191-V234 WeakPolarHBondContact O-CA 3.25Å; T220-V234 HydrophobicContact CG2-CG1 4.24Å; A223-V234 HydrophobicContact CB-CB 4.22Å; A223-V234 HydrophobicContact CB-CG1 4.05Å; A223-V234 HydrophobicContact CB-CG2 3.98Å; A224-V234 HydrophobicContact CB-CB 4.37Å; I232-V234 HydrophobicContact CG2-CG2 4.14Å; V234-T305 PolarHBondContact N-OG1 3.22Å; V234-T305 VanDerWaalsContact N-OG1 3.1Å; V234-G306 WeakPolarHBondContact O-CA 3Å; V234-G306 PolarHBondContact O-N 2.82Å
235	N	98.9	Very high	97.5	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	165.9	-179.4	-64.9	-71.4	0	0	0	110.5	I191 V192 N193 L296 L304 T305 G306 G307 Y309	I191-N235 PolarHBondContact O-N 3.05Å; V192-N235 WeakPolarHBondContact CA-O 3.2Å; N193-N235 PolarHBondContact N-O 3.02Å; N235-L296 HydrophobicContact CB-CD1 4.35Å; N235-L296 HydrophobicContact CB-CD2 4.43Å; N235-L304 PolarHBondContact ND2-O 2.88Å; N235-T305 VanDerWaalsContact OD1-C 3.31Å; N235-T305 WeakPolarHBondContact OD1-CA 3.29Å; N235-T305 PolarHBondContact OD1-N 3.39Å; N235-G306 PolarHBondContact OD1-N 3.27Å; N235-G307 PolarHBondContact OD1-N 3.48Å; N235-Y309 HydrophobicContact CB-CD2 4.3Å; N235-Y309 HydrophobicContact CB-CE2 3.95Å
236	S	98.8	Very high	97.2	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	146.1	169.9	73.4	0	0	0	0	111.9	N193 N217 N238 G307 I308 Y309	N193-S236 WeakPolarHBondContact O-CA 3.29Å; N193-S236 WeakPolarHBondContact O-CB 3.17Å; N217-S236 WeakPolarHBondContact OD1-CB 3.41Å; N217-S236 PolarHBondContact OD1-OG 3.13Å; S236-N238 PolarHBondContact OG-ND2 3.39Å; S236-N238 VanDerWaalsContact OG-ND2 3.09Å; S236-G307 PolarHBondContact N-O 2.8Å; S236-I308 VanDerWaalsContact OG-CD1 3.24Å; S236-I308 WeakPolarHBondContact OG-CD1 3.48Å; S236-Y309 WeakPolarHBondContact O-CD2 3.24Å; S236-Y309 PolarHBondContact O-N 3.07Å
237	V	98.7	Very high	97	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	135.4	166.4	-63.7	0	0	0	0	109.2	V192 N193 I194 A195 I292 I293 L296 Y309 T311	V192-V237 HydrophobicContact CG1-CG1 4.15Å; V192-V237 HydrophobicContact CG1-CG2 4.12Å; N193-V237 PolarHBondContact O-N 3.46Å; N193-V237 VanDerWaalsContact O-N 3.16Å; I194-V237 HydrophobicContact CD1-CG2 3.33Å; A195-V237 WeakPolarHBondContact CA-O 3.38Å; A195-V237 PolarHBondContact N-O 3.48Å; V237-I292 HydrophobicContact CG1-CG2 4.12Å; V237-I293 HydrophobicContact CG1-CG1 4.22Å; V237-I293 HydrophobicContact CG2-CD1 4.26Å; V237-I293 HydrophobicContact CG2-CG1 3.87Å; V237-L296 HydrophobicContact CG1-CD1 3.51Å; V237-Y309 CarbonylContact C-O 3.44Å; V237-Y309 WeakPolarHBondContact CA-O 3.28Å; V237-T311 HydrophobicContact CB-CG2 4.19Å; V237-T311 HydrophobicContact CG1-CG2 4.14Å
238	N	98.5	Very high	96.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	81.3	-171.5	-66.5	-100.7	0	0	0	106.6	A195 S196 I200 N217 S236 I308 Y309 T311	A195-N238 WeakPolarHBondContact CB-OD1 3.14Å; S196-N238 WeakPolarHBondContact O-CB 3.19Å; S196-N238 PolarHBondContact O-OD1 3.09Å; S196-N238 VanDerWaalsContact O-OD1 3.14Å; I200-N238 HydrophobicContact CD1-CB 3.56Å; I200-N238 HydrophobicContact CG1-CB 4.09Å; N217-N238 PolarHBondContact ND2-OD1 3.46Å; N217-N238 PolarHBondContact OD1-OD1 3.18Å; S236-N238 PolarHBondContact OG-ND2 3.39Å; S236-N238 VanDerWaalsContact OG-ND2 3.09Å; N238-I308 WeakPolarHBondContact ND2-CG2 2.97Å; N238-Y309 WeakPolarHBondContact CB-O 3.45Å; N238-Y309 PolarHBondContact N-O 3.4Å; N238-Y309 PolarHBondContact ND2-O 3.13Å; N238-T311 PolarHBondContact O-N 3.23Å
239	M	96.6	Very high	96.4	Very high	28 Å²	28	38.8 Å²	38.8	14%	0.138	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	144.6	-172.7	61	-177	53.6	0	0	112.6	M54 I194 S196 A197	M54-M239 HydrophobicContact CE-CE 4.44Å; M54-M239 HydrophobicContact CG-CE 4.09Å; I194-M239 HydrophobicContact CG2-CE 3.37Å; I194-M239 HydrophobicContact CG2-SD 3.99Å; S196-M239 CarbonylContact C-O 3.16Å; S196-M239 PolarHBondContact OG-O 3.17Å; A197-M239 PolarHBondContact N-O 2.99Å
240	G	94.2	Very high	96	Very high	11 Å²	11	33 Å²	33	11%	0.113	19%	0.186	C	C	.	.			trans	-82.9	-161.5	164.5	0	0	0	0	0	111	T242 D312	G240-T242 PolarHBondContact O-N 3Å; G240-T242 VanDerWaalsContact O-N 3.07Å; G240-T242 PolarHBondContact O-OG1 3.46Å; G240-T242 VanDerWaalsContact O-OG1 3.11Å; G240-D312 VanDerWaalsContact N-CA 3.31Å; G240-D312 VanDerWaalsContact N-CB 3.3Å
241	N	94.1	Very high	95.6	Very high	66 Å²	66	32.9 Å²	32.9	35%	0.353	19%	0.192	S	C	.	.	S	Bend	trans	-56.7	116.5	175.3	-69.9	-14.8	0	0	0	110.4	L247 R270 P283 S284	N241-L247 HydrophobicContact CB-CD1 4.21Å; N241-L247 HydrophobicContact CB-CD2 4.21Å; N241-R270 PolarHBondContact ND2-O 3.22Å; N241-P283 HydrophobicContact CB-CB 4.32Å; N241-P283 WeakPolarHBondContact O-CB 3.21Å; N241-S284 PolarHBondContact O-N 2.89Å
242	T	96.4	Very high	95.3	Very high	5 Å²	5	35.6 Å²	35.6	3%	0.031	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-123.5	133.9	179.6	-53.5	0	0	0	0	109.6	M54 G240 T244 L247 S284 V286 Q289	M54-T242 HydrophobicContact CE-CG2 3.55Å; G240-T242 PolarHBondContact O-N 3Å; G240-T242 VanDerWaalsContact O-N 3.07Å; G240-T242 PolarHBondContact O-OG1 3.46Å; G240-T242 VanDerWaalsContact O-OG1 3.11Å; T242-T244 HydrophobicContact CG2-CG2 4.14Å; T242-T244 PolarHBondContact O-N 3.32Å; T242-T244 PolarHBondContact O-OG1 3.28Å; T242-L247 WeakPolarHBondContact O-CB 3.37Å; T242-S284 CarbonylContact C-O 3.6Å; T242-S284 VanDerWaalsContact CA-O 3.26Å; T242-S284 WeakPolarHBondContact CA-O 3.31Å; T242-S284 WeakPolarHBondContact CG2-O 3.38Å; T242-V286 HydrophobicContact CG2-CG1 4.28Å; T242-Q289 HydrophobicContact CG2-CG 3.96Å
243	D	95.3	Very high	94.9	Very high	112 Å²	112	35.8 Å²	35.8	60%	0.599	19%	0.193	S	C	*	.	S	Bend	trans	-62.8	96.6	-177.5	-169.2	16.9	0	0	0	111.6	P283 S284 V286	D243-P283 HydrophobicContact CB-CG 3.97Å; D243-S284 PolarHBondContact N-O 2.88Å; D243-V286 VanDerWaalsContact O-CG1 3.25Å; D243-V286 WeakPolarHBondContact O-CG1 3.39Å
244	T	95.8	Very high	94.4	Very high	27 Å²	27	35.7 Å²	35.7	17%	0.166	20%	0.195	C	C	.	.	S	Bend	trans	-151.9	162.3	-173.1	57.4	0	0	0	0	110	T242 M246 L247 A248 V286	T242-T244 HydrophobicContact CG2-CG2 4.14Å; T242-T244 PolarHBondContact O-N 3.32Å; T242-T244 PolarHBondContact O-OG1 3.28Å; T244-M246 PolarHBondContact O-N 3.3Å; T244-M246 VanDerWaalsContact O-N 3.13Å; T244-M246 PolarHBondContact OG1-N 2.86Å; T244-L247 PolarHBondContact O-N 3.17Å; T244-L247 PolarHBondContact OG1-N 3.35Å; T244-A248 PolarHBondContact O-N 3.33Å; T244-A248 VanDerWaalsContact O-N 3.15Å; T244-V286 HydrophobicContact CG2-CG1 3.81Å
245	D	93.3	Very high	94	Very high	67 Å²	67	41.6 Å²	41.6	36%	0.358	22%	0.221	S	C	.	.	H	α-helix	trans	-52.4	-33	169.2	-61.1	-117.8	0	0	0	113	R52 A248 R249	R52-D245 IonicContact CZ-OD1 3.76Å; R52-D245 IonicContact NE-OD1 3.77Å; R52-D245 IonicContact NH1-OD1 3.46Å; R52-D245 PolarHBondContact NH1-OD1 3.24Å; D245-A248 PolarHBondContact O-N 3.36Å; D245-R249 VanDerWaalsContact O-CB 3.31Å; D245-R249 WeakPolarHBondContact O-CB 3.38Å; D245-R249 PolarHBondContact O-N 3.08Å
246	M	92.8	Very high	93.6	Very high	59 Å²	59	43.4 Å²	43.4	29%	0.291	23%	0.231	S	C	.	.	H	α-helix	trans	-65.6	-43.8	178.2	-175.2	177.1	-67.5	0	0	111.2	G128 T130 T244 R249 I250	G128-M246 WeakPolarHBondContact O-CE 3.5Å; T130-M246 HydrophobicContact CG2-CG 4.12Å; T130-M246 HydrophobicContact CG2-SD 4.15Å; T244-M246 PolarHBondContact O-N 3.3Å; T244-M246 VanDerWaalsContact O-N 3.13Å; T244-M246 PolarHBondContact OG1-N 2.86Å; M246-R249 WeakPolarHBondContact O-CB 3.49Å; M246-R249 PolarHBondContact O-N 3.15Å; M246-I250 HydrophobicContact CG-CD1 4.17Å; M246-I250 VanDerWaalsContact O-CG1 3.29Å; M246-I250 WeakPolarHBondContact O-CG1 3.26Å; M246-I250 PolarHBondContact O-N 3.13Å
247	L	92.9	Very high	93.1	Very high	23 Å²	23	43.5 Å²	43.5	12%	0.12	23%	0.231	C	C	.	.	H	α-helix	trans	-64.6	-42.4	176.6	-178.4	61.5	0	0	0	111.5	N241 T242 T244 R249 I250 N251 P283	N241-L247 HydrophobicContact CB-CD1 4.21Å; N241-L247 HydrophobicContact CB-CD2 4.21Å; T242-L247 WeakPolarHBondContact O-CB 3.37Å; T244-L247 PolarHBondContact O-N 3.17Å; T244-L247 PolarHBondContact OG1-N 3.35Å; L247-R249 VanDerWaalsContact C-N 3.29Å; L247-R249 PolarHBondContact O-N 3.45Å; L247-I250 PolarHBondContact O-N 2.92Å; L247-N251 PolarHBondContact O-N 3.07Å; L247-N251 PolarHBondContact O-ND2 3.16Å; L247-P283 HydrophobicContact CD2-CB 4Å; L247-P283 HydrophobicContact CD2-CG 4.38Å
248	A	93.2	Very high	92.6	Very high	51 Å²	51	47.5 Å²	47.5	42%	0.421	25%	0.251	S	S	.	.	H	α-helix	trans	-59.2	-41.9	174	0	0	0	0	0	111.7	T244 D245 N251 Q252	T244-A248 PolarHBondContact O-N 3.33Å; T244-A248 VanDerWaalsContact O-N 3.15Å; D245-A248 PolarHBondContact O-N 3.36Å; A248-N251 PolarHBondContact O-N 3.44Å; A248-Q252 WeakPolarHBondContact O-CG 3.42Å; A248-Q252 PolarHBondContact O-N 2.89Å
249	R	92.1	Very high	92.2	Very high	24 Å²	24	53.2 Å²	53.2	9%	0.091	28%	0.278	C	S	.	.	H	α-helix	trans	-64.9	-44.8	176.5	-171.7	179.1	-177.2	89.9	-2.2	112.4	D131 I133 E137 I139 D245 M246 L247 N251 Q252 V253	D131-R249 IonicContact OD1-CZ 3.35Å; D131-R249 IonicContact OD1-NE 3.23Å; D131-R249 PolarHBondContact OD1-NE 3.34Å; D131-R249 IonicContact OD1-NH2 2.97Å; D131-R249 PolarHBondContact OD1-NH2 3.15Å; D131-R249 IonicContact OD2-CZ 3.23Å; D131-R249 IonicContact OD2-NE 3.48Å; D131-R249 PolarHBondContact OD2-NE 3.05Å; D131-R249 IonicContact OD2-NH2 3.6Å; I133-R249 VanDerWaalsContact CB-NH2 3.28Å; E137-R249 PolarHBondContact O-NH1 3.5Å; I139-R249 HydrophobicContact CD1-CG 3.87Å; D245-R249 VanDerWaalsContact O-CB 3.31Å; D245-R249 WeakPolarHBondContact O-CB 3.38Å; D245-R249 PolarHBondContact O-N 3.08Å; M246-R249 WeakPolarHBondContact O-CB 3.49Å; M246-R249 PolarHBondContact O-N 3.15Å; L247-R249 VanDerWaalsContact C-N 3.29Å; L247-R249 PolarHBondContact O-N 3.45Å; R249-N251 VanDerWaalsContact C-N 3.29Å; R249-N251 PolarHBondContact O-N 3.04Å; R249-Q252 WeakPolarHBondContact O-CB 3.4Å; R249-Q252 PolarHBondContact O-N 3.01Å; R249-Q252 VanDerWaalsContact O-N 3.16Å; R249-V253 WeakPolarHBondContact O-CG2 3.38Å; R249-V253 PolarHBondContact O-N 2.92Å
250	I	91.2	Very high	91.8	Very high	40 Å²	40	55.8 Å²	55.8	21%	0.205	29%	0.292	C	S	.	.	H	α-helix	trans	-56.2	-46.8	174.7	-69.7	164.4	0	0	0	110.1	T130 M246 L247 Q252 V253 V254	T130-I250 HydrophobicContact CG2-CD1 3.78Å; T130-I250 HydrophobicContact CG2-CG1 3.72Å; M246-I250 HydrophobicContact CG-CD1 4.17Å; M246-I250 VanDerWaalsContact O-CG1 3.29Å; M246-I250 WeakPolarHBondContact O-CG1 3.26Å; M246-I250 PolarHBondContact O-N 3.13Å; L247-I250 PolarHBondContact O-N 2.92Å; I250-Q252 VanDerWaalsContact C-N 3.31Å; I250-Q252 PolarHBondContact O-N 2.94Å; I250-V253 PolarHBondContact O-N 3.44Å; I250-V254 HydrophobicContact CG2-CG2 4.28Å; I250-V254 WeakPolarHBondContact O-CG2 3.3Å; I250-V254 PolarHBondContact O-N 3.26Å
251	N	90.9	Very high	91.4	Very high	94 Å²	94	58.7 Å²	58.7	50%	0.503	32%	0.322	S	S	.	.	H	α-helix	trans	-62	-38.1	178.9	-71.5	-26.2	0	0	0	112.4	L247 A248 R249 K255	L247-N251 PolarHBondContact O-N 3.07Å; L247-N251 PolarHBondContact O-ND2 3.16Å; A248-N251 PolarHBondContact O-N 3.44Å; R249-N251 VanDerWaalsContact C-N 3.29Å; R249-N251 PolarHBondContact O-N 3.04Å; N251-K255 WeakPolarHBondContact O-CB 3.19Å; N251-K255 PolarHBondContact O-N 3.39Å
252	Q	91.4	Very high	90.8	Very high	107 Å²	107	59.3 Å²	59.3	50%	0.5	32%	0.324	S	S	.	.	H	α-helix	trans	-64.3	-45.8	174	-70.9	172.5	4.3	0	0	111.9	I139 A248 R249 I250 K255 L256	I139-Q252 HydrophobicContact CD1-CB 4.28Å; A248-Q252 WeakPolarHBondContact O-CG 3.42Å; A248-Q252 PolarHBondContact O-N 2.89Å; R249-Q252 WeakPolarHBondContact O-CB 3.4Å; R249-Q252 PolarHBondContact O-N 3.01Å; R249-Q252 VanDerWaalsContact O-N 3.16Å; I250-Q252 VanDerWaalsContact C-N 3.31Å; I250-Q252 PolarHBondContact O-N 2.94Å; Q252-K255 PolarHBondContact O-N 2.91Å; Q252-L256 WeakPolarHBondContact O-CG 3.33Å; Q252-L256 PolarHBondContact O-N 3.24Å
253	V	89.9	Confident	90.2	Very high	6 Å²	6	60.2 Å²	60.2	4%	0.036	33%	0.328	C	S	.	.	H	α-helix	trans	-61.5	-47.7	177.1	174.7	0	0	0	0	110.8	I139 I148 T149 R249 I250 K255 L256 L257	I139-V253 HydrophobicContact CD1-CG2 3.42Å; I139-V253 VanDerWaalsContact CD1-CG2 3.42Å; I148-V253 HydrophobicContact CB-CG1 4.39Å; T149-V253 HydrophobicContact CG2-CG1 3.93Å; R249-V253 WeakPolarHBondContact O-CG2 3.38Å; R249-V253 PolarHBondContact O-N 2.92Å; I250-V253 PolarHBondContact O-N 3.44Å; V253-K255 VanDerWaalsContact C-N 3.32Å; V253-K255 PolarHBondContact O-N 2.89Å; V253-L256 PolarHBondContact O-N 3.4Å; V253-L257 HydrophobicContact CG1-CD1 3.87Å; V253-L257 HydrophobicContact CG1-CG 4.3Å; V253-L257 WeakPolarHBondContact O-CG 3.01Å; V253-L257 PolarHBondContact O-N 2.91Å
254	V	89.5	Confident	89.6	Confident	28 Å²	28	58.1 Å²	58.1	17%	0.17	32%	0.316	C	S	.	.	H	α-helix	trans	-59.5	-43.9	178.5	170.2	0	0	0	0	110.8	I250 L257 I258 F263 L268	I250-V254 HydrophobicContact CG2-CG2 4.28Å; I250-V254 WeakPolarHBondContact O-CG2 3.3Å; I250-V254 PolarHBondContact O-N 3.26Å; V254-L257 PolarHBondContact O-N 3.45Å; V254-I258 HydrophobicContact CG1-CD1 3.88Å; V254-I258 HydrophobicContact CG1-CG1 4.48Å; V254-I258 VanDerWaalsContact O-CG1 3.31Å; V254-I258 WeakPolarHBondContact O-CG1 3.31Å; V254-I258 PolarHBondContact O-N 2.83Å; V254-F263 HydrophobicContact CG1-CD1 4.24Å; V254-F263 HydrophobicContact CG1-CE1 4.05Å; V254-F263 HydrophobicContact CG1-CZ 4.36Å; V254-F263 HydrophobicContact CG2-CZ 4.43Å; V254-L268 HydrophobicContact CG1-CD1 4.14Å; V254-L268 HydrophobicContact CG2-CD1 4.43Å
255	K	90.3	Very high	88.6	Confident	125 Å²	125	58.3 Å²	58.3	54%	0.543	32%	0.321	S	S	.	.	H	α-helix	trans	-58.5	-48.9	175.7	179.7	179.5	170.5	-177.1	0	111.7	N251 Q252 V253 L257 I258 E259	N251-K255 WeakPolarHBondContact O-CB 3.19Å; N251-K255 PolarHBondContact O-N 3.39Å; Q252-K255 PolarHBondContact O-N 2.91Å; V253-K255 VanDerWaalsContact C-N 3.32Å; V253-K255 PolarHBondContact O-N 2.89Å; K255-L257 VanDerWaalsContact C-N 3.33Å; K255-L257 PolarHBondContact O-N 3.21Å; K255-I258 PolarHBondContact O-N 3.17Å; K255-E259 WeakPolarHBondContact CE-OE1 3.29Å; K255-E259 IonicContact NZ-OE1 3.85Å; K255-E259 WeakPolarHBondContact O-CG 3.22Å; K255-E259 PolarHBondContact O-N 2.95Å
256	L	89.3	Confident	87.9	Confident	39 Å²	39	62 Å²	62	20%	0.204	34%	0.341	C	S	.	.	H	α-helix	trans	-60.7	-41	178.2	-72.3	170.3	0	0	0	112.1	I139 F141 Q252 V253 E259 N260	I139-L256 HydrophobicContact CB-CD1 4.23Å; I139-L256 HydrophobicContact CG2-CD1 3.58Å; F141-L256 HydrophobicContact CB-CD2 4.49Å; F141-L256 HydrophobicContact CD2-CB 3.98Å; F141-L256 HydrophobicContact CE2-CB 4.45Å; Q252-L256 WeakPolarHBondContact O-CG 3.33Å; Q252-L256 PolarHBondContact O-N 3.24Å; V253-L256 PolarHBondContact O-N 3.4Å; L256-E259 PolarHBondContact O-N 2.72Å; L256-N260 PolarHBondContact O-N 2.87Å; L256-N260 VanDerWaalsContact O-N 3.07Å; L256-N260 PolarHBondContact O-ND2 3.35Å
257	L	88.5	Confident	87.1	Confident	1 Å²	1	64.3 Å²	64.3	1%	0.005	35%	0.353	C	S	.	.	H	α-helix	trans	-66.6	-37.2	177.7	-67.5	169.5	0	0	0	111.9	F141 I148 T149 V253 V254 K255 N260 G261 M262 F263	F141-L257 HydrophobicContact CE2-CD2 4.27Å; I148-L257 HydrophobicContact CD1-CD2 3.77Å; I148-L257 HydrophobicContact CD1-CG 4.47Å; T149-L257 HydrophobicContact CG2-CD1 3.65Å; V253-L257 HydrophobicContact CG1-CD1 3.87Å; V253-L257 HydrophobicContact CG1-CG 4.3Å; V253-L257 WeakPolarHBondContact O-CG 3.01Å; V253-L257 PolarHBondContact O-N 2.91Å; V254-L257 PolarHBondContact O-N 3.45Å; K255-L257 VanDerWaalsContact C-N 3.33Å; K255-L257 PolarHBondContact O-N 3.21Å; L257-N260 PolarHBondContact O-N 3.02Å; L257-G261 PolarHBondContact O-N 2.82Å; L257-M262 HydrophobicContact CB-CB 4.4Å; L257-M262 HydrophobicContact CD2-CB 3.93Å; L257-M262 HydrophobicContact CD2-CE 4.41Å; L257-M262 HydrophobicContact CD2-SD 4.39Å; L257-M262 WeakPolarHBondContact O-CA 3.36Å; L257-M262 PolarHBondContact O-N 3.07Å; L257-F263 HydrophobicContact CB-CB 3.7Å; L257-F263 HydrophobicContact CB-CD2 3.99Å; L257-F263 HydrophobicContact CB-CG 4.17Å; L257-F263 HydrophobicContact CD1-CD2 3.85Å; L257-F263 HydrophobicContact CD1-CE2 4.38Å; L257-F263 PolarHBondContact O-N 3Å
258	I	88.9	Confident	86.4	Confident	84 Å²	84	65.3 Å²	65.3	43%	0.431	36%	0.359	S	S	.	.	H	α-helix	trans	-63.6	-48.8	173.7	-69	167.3	0	0	0	110.4	V254 K255 N260 G261 F263 A265	V254-I258 HydrophobicContact CG1-CD1 3.88Å; V254-I258 HydrophobicContact CG1-CG1 4.48Å; V254-I258 VanDerWaalsContact O-CG1 3.31Å; V254-I258 WeakPolarHBondContact O-CG1 3.31Å; V254-I258 PolarHBondContact O-N 2.83Å; K255-I258 PolarHBondContact O-N 3.17Å; I258-N260 PolarHBondContact O-N 2.61Å; I258-G261 PolarHBondContact O-N 3.27Å; I258-F263 HydrophobicContact CD1-CD1 4.34Å; I258-F263 HydrophobicContact CG1-CB 3.79Å; I258-F263 HydrophobicContact CG1-CD1 3.88Å; I258-F263 HydrophobicContact CG1-CG 4.16Å; I258-A265 HydrophobicContact CD1-CB 4.39Å
259	E	89.9	Confident	85.9	Confident	121 Å²	121	65.9 Å²	65.9	57%	0.565	35%	0.352	S	S	*	.	H	α-helix	trans	-61.4	-28.3	-179.3	-73.1	172.9	170.7	0	0	112.7	K255 L256	K255-E259 WeakPolarHBondContact CE-OE1 3.29Å; K255-E259 IonicContact NZ-OE1 3.85Å; K255-E259 WeakPolarHBondContact O-CG 3.22Å; K255-E259 PolarHBondContact O-N 2.95Å; L256-E259 PolarHBondContact O-N 2.72Å
260	N	88.1	Confident	85.3	Confident	81 Å²	81	73.3 Å²	73.3	43%	0.433	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	9	176.9	-71.2	-88	0	0	0	113.6	F141 L256 L257 I258 M262	F141-N260 HydrophobicContact CE1-CB 3.94Å; F141-N260 WeakPolarHBondContact CE1-OD1 3.43Å; F141-N260 HydrophobicContact CE2-CB 4.42Å; F141-N260 HydrophobicContact CZ-CB 3.68Å; L256-N260 PolarHBondContact O-N 2.87Å; L256-N260 VanDerWaalsContact O-N 3.07Å; L256-N260 PolarHBondContact O-ND2 3.35Å; L257-N260 PolarHBondContact O-N 3.02Å; I258-N260 PolarHBondContact O-N 2.61Å; N260-M262 HydrophobicContact CB-CG 4.32Å; N260-M262 HydrophobicContact CB-SD 4.42Å; N260-M262 PolarHBondContact O-N 3Å
261	G	85.4	Confident	85.2	Confident	72 Å²	72	71.4 Å²	71.4	74%	0.742	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.8	16.6	178.1	0	0	0	0	0	114.5	L257 I258	L257-G261 PolarHBondContact O-N 2.82Å; I258-G261 PolarHBondContact O-N 3.27Å
262	M	82.7	Confident	85.4	Confident	80 Å²	80	67.6 Å²	67.6	39%	0.394	35%	0.351	S	S	.	.			trans	-96.8	4.8	-176.4	-65.6	-177.6	67.1	0	0	112.9	F141 Y205 L257 N260	F141-M262 HydrophobicContact CZ-SD 3.7Å; Y205-M262 WeakPolarHBondContact CE1-O 3.39Å; L257-M262 HydrophobicContact CB-CB 4.4Å; L257-M262 HydrophobicContact CD2-CB 3.93Å; L257-M262 HydrophobicContact CD2-CE 4.41Å; L257-M262 HydrophobicContact CD2-SD 4.39Å; L257-M262 WeakPolarHBondContact O-CA 3.36Å; L257-M262 PolarHBondContact O-N 3.07Å; N260-M262 HydrophobicContact CB-CG 4.32Å; N260-M262 HydrophobicContact CB-SD 4.42Å; N260-M262 PolarHBondContact O-N 3Å
263	F	83.7	Confident	85.5	Confident	23 Å²	23	66.7 Å²	66.7	10%	0.101	35%	0.349	C	S	.	.			trans	-135.2	129.1	-172.8	-155.6	-95.9	0	0	0	113.9	Y205 V254 L257 I258 A265 L268	Y205-F263 AromaticContact CD1-CD2 3.86Å; Y205-F263 HydrophobicContact CD1-CD2 3.86Å; Y205-F263 HydrophobicContact CD1-CE2 4.07Å; Y205-F263 AromaticContact CD2-CD2 3.75Å; Y205-F263 HydrophobicContact CD2-CD2 3.75Å; Y205-F263 AromaticContact CD2-CE2 3.31Å; Y205-F263 HydrophobicContact CD2-CE2 3.31Å; Y205-F263 AromaticContact CD2-CZ 3.81Å; Y205-F263 HydrophobicContact CD2-CZ 3.81Å; Y205-F263 HydrophobicContact CE1-CD2 4.13Å; Y205-F263 HydrophobicContact CE2-CD2 4.02Å; Y205-F263 AromaticContact CE2-CE2 3.96Å; Y205-F263 HydrophobicContact CE2-CE2 3.96Å; Y205-F263 HydrophobicContact CE2-CG 4.47Å; Y205-F263 HydrophobicContact CE2-CZ 4.31Å; Y205-F263 AromaticContact CG-CD2 3.71Å; Y205-F263 HydrophobicContact CG-CD2 3.71Å; Y205-F263 AromaticContact CG-CE2 3.43Å; Y205-F263 HydrophobicContact CG-CE2 3.43Å; Y205-F263 VanDerWaalsContact CG-CE2 3.43Å; Y205-F263 HydrophobicContact CG-CZ 4.35Å; V254-F263 HydrophobicContact CG1-CD1 4.24Å; V254-F263 HydrophobicContact CG1-CE1 4.05Å; V254-F263 HydrophobicContact CG1-CZ 4.36Å; V254-F263 HydrophobicContact CG2-CZ 4.43Å; L257-F263 HydrophobicContact CB-CB 3.7Å; L257-F263 HydrophobicContact CB-CD2 3.99Å; L257-F263 HydrophobicContact CB-CG 4.17Å; L257-F263 HydrophobicContact CD1-CD2 3.85Å; L257-F263 HydrophobicContact CD1-CE2 4.38Å; L257-F263 PolarHBondContact O-N 3Å; I258-F263 HydrophobicContact CD1-CD1 4.34Å; I258-F263 HydrophobicContact CG1-CB 3.79Å; I258-F263 HydrophobicContact CG1-CD1 3.88Å; I258-F263 HydrophobicContact CG1-CG 4.16Å; F263-A265 HydrophobicContact CD1-CB 4.41Å; F263-L268 HydrophobicContact CE1-CD1 3.32Å; F263-L268 HydrophobicContact CE1-CD2 4.42Å; F263-L268 HydrophobicContact CE1-CG 3.59Å; F263-L268 HydrophobicContact CZ-CD1 3.37Å; F263-L268 HydrophobicContact CZ-CD2 3.81Å; F263-L268 HydrophobicContact CZ-CG 3.49Å; F263-L268 VanDerWaalsContact CZ-CG 3.49Å
264	N	81.2	Confident	85.8	Confident	68 Å²	68	69.4 Å²	69.4	36%	0.364	36%	0.362	S	S	.	.			trans	-97	101.4	168	-172.9	-11.9	0	0	0	110.9	Y205 N266 L267	Y205-N264 PolarHBondContact OH-N 2.91Å; N264-N266 PolarHBondContact O-N 2.73Å; N264-N266 VanDerWaalsContact O-N 3.16Å; N264-N266 WeakPolarHBondContact OD1-CB 3.43Å; N264-N266 PolarHBondContact OD1-N 3.34Å; N264-L267 HydrophobicContact CB-CD1 4.47Å; N264-L267 PolarHBondContact O-N 3.39Å
265	A	75.7	Confident	86	Confident	31 Å²	31	69.1 Å²	69.1	26%	0.256	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-65.2	-15.3	-178.6	0	0	0	0	0	114.7	I258 F263 L267	I258-A265 HydrophobicContact CD1-CB 4.39Å; F263-A265 HydrophobicContact CD1-CB 4.41Å; A265-L267 PolarHBondContact O-N 3.06Å
266	N	77.7	Confident	86.1	Confident	145 Å²	145	67.5 Å²	67.5	78%	0.775	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-74.3	-15	-179.6	-64.6	-26.7	0	0	0	113	N264	N264-N266 PolarHBondContact O-N 2.73Å; N264-N266 VanDerWaalsContact O-N 3.16Å; N264-N266 WeakPolarHBondContact OD1-CB 3.43Å; N264-N266 PolarHBondContact OD1-N 3.34Å
267	L	76.5	Confident	86.3	Confident	107 Å²	107	68.3 Å²	68.3	56%	0.56	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-93.6	-1.8	-179.9	-60.5	179.2	0	0	0	113.4	N264 A265	N264-L267 HydrophobicContact CB-CD1 4.47Å; N264-L267 PolarHBondContact O-N 3.39Å; A265-L267 PolarHBondContact O-N 3.06Å
268	L	77.8	Confident	86.5	Confident	44 Å²	44	69 Å²	69	23%	0.23	37%	0.37	C	S	.	.			trans	-90.9	119.5	178.8	-76.7	-174.9	0	0	0	111.8	I203 V254 F263 R270	I203-L268 HydrophobicContact CD1-CD2 3.97Å; I203-L268 HydrophobicContact CG1-CD2 4Å; V254-L268 HydrophobicContact CG1-CD1 4.14Å; V254-L268 HydrophobicContact CG2-CD1 4.43Å; F263-L268 HydrophobicContact CE1-CD1 3.32Å; F263-L268 HydrophobicContact CE1-CD2 4.42Å; F263-L268 HydrophobicContact CE1-CG 3.59Å; F263-L268 HydrophobicContact CZ-CD1 3.37Å; F263-L268 HydrophobicContact CZ-CD2 3.81Å; F263-L268 HydrophobicContact CZ-CG 3.49Å; F263-L268 VanDerWaalsContact CZ-CG 3.49Å; L268-R270 PolarHBondContact O-N 2.88Å
269	K	83.4	Confident	86.7	Confident	64 Å²	64	67.4 Å²	67.4	28%	0.278	37%	0.366	S	S	.	.			trans	-68.3	119.3	159.8	-173.8	171.8	-174.6	169.5	0	108.7	G271 F315 Y318	K269-G271 WeakPolarHBondContact CE-O 3.39Å; K269-F315 HydrophobicContact CB-CE2 3.94Å; K269-F315 HydrophobicContact CB-CZ 3.72Å; K269-F315 HydrophobicContact CD-CD1 4.37Å; K269-F315 HydrophobicContact CD-CD2 4.12Å; K269-F315 HydrophobicContact CD-CE1 4.07Å; K269-F315 HydrophobicContact CD-CE2 3.8Å; K269-F315 HydrophobicContact CD-CG 4.41Å; K269-F315 HydrophobicContact CD-CZ 3.78Å; K269-F315 WeakPolarHBondContact CE-O 3.13Å; K269-F315 HydrophobicContact CG-CD2 4.25Å; K269-F315 HydrophobicContact CG-CE2 3.59Å; K269-F315 HydrophobicContact CG-CZ 3.79Å; K269-F315 PolarHBondContact NZ-O 2.74Å; K269-Y318 PolarHBondContact NZ-O 3.34Å
270	R	79.4	Confident	86.9	Confident	179 Å²	179	69.9 Å²	69.9	68%	0.675	38%	0.375	S	S	*	.			trans	-92	-25.5	-168.3	-62.5	-173.8	-179.2	-177.8	0.1	114.5	N241 L268	N241-R270 PolarHBondContact ND2-O 3.22Å; L268-R270 PolarHBondContact O-N 2.88Å
271	G	89.2	Confident	87.1	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	37%	0.373	C	S	.	.			trans	-148.4	161.7	-173.3	0	0	0	0	0	112.7	K269	K269-G271 WeakPolarHBondContact CE-O 3.39Å
272	S	94.5	Very high	87.5	Confident	15 Å²	15	69 Å²	69	11%	0.105	35%	0.353	C	S	.	.			trans	-84.8	174	169.2	68.6	0	0	0	0	111.5	N275 H276 D312 G313	S272-N275 WeakPolarHBondContact O-CB 3.4Å; S272-N275 PolarHBondContact O-N 3.39Å; S272-N275 WeakPolarHBondContact OG-CB 3.44Å; S272-N275 PolarHBondContact OG-N 3.24Å; S272-H276 PolarHBondContact O-CD2 3.33Å; S272-H276 PolarHBondContact O-N 2.88Å; S272-D312 WeakPolarHBondContact CB-O 2.86Å; S272-G313 VanDerWaalsContact CB-O 3.27Å; S272-G313 WeakPolarHBondContact CB-O 3.31Å; S272-G313 PolarHBondContact OG-O 3.05Å
273	L	94.9	Very high	88	Confident	87 Å²	87	67.4 Å²	67.4	46%	0.455	35%	0.348	S	S	.	.	H	α-helix	trans	-59.1	-48.2	176	-174.9	60.9	0	0	0	111.7	N275 H276 A277 G313 Y318	L273-N275 VanDerWaalsContact C-N 3.33Å; L273-N275 PolarHBondContact O-N 3.27Å; L273-H276 PolarHBondContact O-N 3.34Å; L273-A277 WeakPolarHBondContact O-CB 3.35Å; L273-A277 PolarHBondContact O-N 3.39Å; L273-G313 PolarHBondContact N-O 3.13Å; L273-Y318 HydrophobicContact CB-CE1 4.09Å; L273-Y318 HydrophobicContact CD1-CE1 3.97Å
274	I	94.7	Very high	88.6	Confident	63 Å²	63	67.2 Å²	67.2	32%	0.323	35%	0.35	S	S	.	.	H	α-helix	trans	-62.8	-42.1	178.3	-65.5	-178.4	0	0	0	110.5	I27 H276 A277 H278 G313	I27-I274 HydrophobicContact CB-CG2 4.48Å; I27-I274 HydrophobicContact CD1-CD1 4.12Å; I27-I274 HydrophobicContact CD1-CG1 4.25Å; I274-H276 VanDerWaalsContact C-N 3.35Å; I274-H276 PolarHBondContact O-N 3.41Å; I274-A277 PolarHBondContact O-N 3.06Å; I274-H278 WeakPolarHBondContact O-CB 3.29Å; I274-H278 PolarHBondContact O-N 3.47Å; I274-G313 PolarHBondContact N-O 3.04Å
275	N	94.4	Very high	89.4	Confident	23 Å²	23	65.6 Å²	65.6	12%	0.123	34%	0.343	C	S	.	.	H	α-helix	trans	-58.1	-46.8	175	177.4	-89.8	0	0	0	111.5	S272 L273 H281 P282	S272-N275 WeakPolarHBondContact O-CB 3.4Å; S272-N275 PolarHBondContact O-N 3.39Å; S272-N275 WeakPolarHBondContact OG-CB 3.44Å; S272-N275 PolarHBondContact OG-N 3.24Å; L273-N275 VanDerWaalsContact C-N 3.33Å; L273-N275 PolarHBondContact O-N 3.27Å; N275-H281 PolarHBondContact ND2-O 3.02Å; N275-H281 VanDerWaalsContact O-CA 3.3Å; N275-H281 WeakPolarHBondContact O-CA 3.47Å; N275-H281 PolarHBondContact O-ND1 3.37Å; N275-P282 VanDerWaalsContact ND2-C 3.28Å; N275-P282 PolarHBondContact ND2-O 2.97Å
276	H	92.4	Very high	90.4	Very high	91 Å²	91	65.2 Å²	65.2	42%	0.421	34%	0.337	S	S	.	.	H	α-helix	trans	-69.7	-32.6	179.5	-78.4	-57.4	0	0	0	113.5	S272 L273 I274 H281	S272-H276 PolarHBondContact O-CD2 3.33Å; S272-H276 PolarHBondContact O-N 2.88Å; L273-H276 PolarHBondContact O-N 3.34Å; I274-H276 VanDerWaalsContact C-N 3.35Å; I274-H276 PolarHBondContact O-N 3.41Å; H276-H281 PolarHBondContact O-CE1 2.9Å
277	A	92.7	Very high	91.4	Very high	56 Å²	56	60.5 Å²	60.5	46%	0.463	31%	0.309	S	S	.	.	H	α-helix	trans	-78	-26.3	179.5	0	0	0	0	0	113.6	L273 I274	L273-A277 WeakPolarHBondContact O-CB 3.35Å; L273-A277 PolarHBondContact O-N 3.39Å; I274-A277 PolarHBondContact O-N 3.06Å
278	H	93.8	Very high	92.4	Very high	14 Å²	14	57.9 Å²	57.9	7%	0.065	29%	0.293	C	S	.	.	S	Bend	trans	-78.7	132.9	-178.9	-170.3	-29.4	0	0	0	111.2	D26 I274 K280 H281 P282	D26-H278 VanDerWaalsContact OD1-CA 3.3Å; D26-H278 WeakPolarHBondContact OD1-CA 3.13Å; D26-H278 IonicContact OD1-CE1 2.73Å; D26-H278 IonicContact OD1-CG 3.53Å; D26-H278 IonicContact OD1-ND1 3.55Å; D26-H278 PolarHBondContact OD1-ND1 2.69Å; D26-H278 IonicContact OD2-CE1 3.93Å; D26-H278 PolarHBondContact OD2-CE1 3.25Å; D26-H278 VanDerWaalsContact OD2-CE1 3.23Å; D26-H278 IonicContact OD2-ND1 3.94Å; D26-H278 PolarHBondContact OD2-ND1 2.96Å; I274-H278 WeakPolarHBondContact O-CB 3.29Å; I274-H278 PolarHBondContact O-N 3.47Å; H278-K280 PolarHBondContact ND1-N 3.45Å; H278-K280 PolarHBondContact O-N 3.37Å; H278-H281 PolarHBondContact O-CE1 2.8Å; H278-H281 PolarHBondContact O-N 3.02Å; H278-H281 PolarHBondContact O-ND1 2.74Å; H278-P282 HydrophobicContact CB-CG 4.46Å; H278-P282 VanDerWaalsContact CD2-CG 3.43Å; H278-P282 WeakPolarHBondContact CD2-CG 3.43Å; H278-P282 VanDerWaalsContact CG-CD 3.46Å
279	S	93.1	Very high	93.3	Very high	51 Å²	51	56 Å²	56	36%	0.357	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-27.8	178.4	68.2	0	0	0	0	115.9	D26	D26-S279 PolarHBondContact OD1-N 2.85Å; D26-S279 PolarHBondContact OD1-OG 2.99Å; D26-S279 PolarHBondContact OD2-OG 3.42Å
280	K	92.9	Very high	94.1	Very high	174 Å²	174	53 Å²	53	76%	0.757	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	-4.7	-178.4	-64.8	-179.1	-176.8	173.3	0	114	H278	H278-K280 PolarHBondContact ND1-N 3.45Å; H278-K280 PolarHBondContact O-N 3.37Å
281	H	92.2	Very high	94.9	Very high	86 Å²	86	46 Å²	46	40%	0.398	25%	0.249	S	C	.	.			trans	47.6	48.1	-174.7	-50.2	-64.9	0	0	0	115	N275 H276 H278	N275-H281 PolarHBondContact ND2-O 3.02Å; N275-H281 VanDerWaalsContact O-CA 3.3Å; N275-H281 WeakPolarHBondContact O-CA 3.47Å; N275-H281 PolarHBondContact O-ND1 3.37Å; H276-H281 PolarHBondContact O-CE1 2.9Å; H278-H281 PolarHBondContact O-CE1 2.8Å; H278-H281 PolarHBondContact O-N 3.02Å; H278-H281 PolarHBondContact O-ND1 2.74Å
282	P	94.3	Very high	95.4	Very high	47 Å²	47	49.1 Å²	49.1	31%	0.305	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-71.7	148	-179.7	33.3	-34.1	0	0	0	111.1	N275 H278	N275-P282 VanDerWaalsContact ND2-C 3.28Å; N275-P282 PolarHBondContact ND2-O 2.97Å; H278-P282 HydrophobicContact CB-CG 4.46Å; H278-P282 VanDerWaalsContact CD2-CG 3.43Å; H278-P282 WeakPolarHBondContact CD2-CG 3.43Å; H278-P282 VanDerWaalsContact CG-CD 3.46Å
283	P	94.5	Very high	95.6	Very high	47 Å²	47	48.4 Å²	48.4	31%	0.305	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-64.5	168	159.9	32.6	-36.2	0	0	0	109.9	N241 D243 L247	N241-P283 HydrophobicContact CB-CB 4.32Å; N241-P283 WeakPolarHBondContact O-CB 3.21Å; D243-P283 HydrophobicContact CB-CG 3.97Å; L247-P283 HydrophobicContact CD2-CB 4Å; L247-P283 HydrophobicContact CD2-CG 4.38Å
284	S	96.3	Very high	95.8	Very high	19 Å²	19	44.3 Å²	44.3	13%	0.133	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-61.8	147.2	167.9	-67.7	0	0	0	0	110.6	N241 T242 D243	N241-S284 PolarHBondContact O-N 2.89Å; T242-S284 CarbonylContact C-O 3.6Å; T242-S284 VanDerWaalsContact CA-O 3.26Å; T242-S284 WeakPolarHBondContact CA-O 3.31Å; T242-S284 WeakPolarHBondContact CG2-O 3.38Å; D243-S284 PolarHBondContact N-O 2.88Å
285	T	96.9	Very high	96	Very high	35 Å²	35	44 Å²	44	22%	0.215	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-81.1	159.2	172.2	65.9	0	0	0	0	111	P29 W287 E288	P29-T285 HydrophobicContact CB-CG2 3.53Å; P29-T285 HydrophobicContact CG-CG2 3.99Å; T285-W287 PolarHBondContact O-N 2.88Å; T285-E288 WeakPolarHBondContact CB-OE2 3.26Å; T285-E288 PolarHBondContact N-OE2 3.04Å; T285-E288 PolarHBondContact O-N 3.35Å; T285-E288 WeakPolarHBondContact OG1-CG 3.47Å; T285-E288 PolarHBondContact OG1-N 3.13Å; T285-E288 PolarHBondContact OG1-OE2 2.53Å
286	V	97.7	Very high	96.2	Very high	22 Å²	22	43 Å²	43	13%	0.133	23%	0.232	C	C	.	.	H	α-helix	trans	-62.3	-28.9	173.3	-62	0	0	0	0	112.9	M54 A57 T242 D243 T244 Q289 A290	M54-V286 HydrophobicContact CE-CB 3.82Å; M54-V286 HydrophobicContact CE-CG1 3.91Å; A57-V286 HydrophobicContact CB-CB 3.65Å; A57-V286 HydrophobicContact CB-CG2 3.52Å; T242-V286 HydrophobicContact CG2-CG1 4.28Å; D243-V286 VanDerWaalsContact O-CG1 3.25Å; D243-V286 WeakPolarHBondContact O-CG1 3.39Å; T244-V286 HydrophobicContact CG2-CG1 3.81Å; V286-Q289 PolarHBondContact O-N 3.16Å; V286-A290 WeakPolarHBondContact O-CB 3.39Å; V286-A290 PolarHBondContact O-N 3.18Å
287	W	97.6	Very high	96.5	Very high	47 Å²	47	38.7 Å²	38.7	18%	0.178	21%	0.212	C	C	.	.	H	α-helix	trans	-76	-34.7	-175.2	-56.5	118.1	0	0	0	112.9	V30 P32 A57 R61 T285 Q289 A290 S291	V30-W287 HydrophobicContact CG1-CB 3.44Å; V30-W287 VanDerWaalsContact CG1-CB 3.44Å; V30-W287 WeakPolarHBondContact CG1-O 3.35Å; P32-W287 HydrophobicContact CB-CD2 4.31Å; P32-W287 HydrophobicContact CB-CG 4.23Å; P32-W287 HydrophobicContact CB-CZ2 4.36Å; P32-W287 HydrophobicContact CG-CG 4.47Å; A57-W287 HydrophobicContact CB-CE3 4Å; A57-W287 HydrophobicContact CB-CH2 4.12Å; A57-W287 HydrophobicContact CB-CZ3 3.77Å; A57-W287 WeakPolarHBondContact O-CZ3 3.44Å; R61-W287 HydrophobicContact CB-CZ3 4.28Å; R61-W287 PolarHBondContact NH1-O 3.45Å; T285-W287 PolarHBondContact O-N 2.88Å; W287-Q289 VanDerWaalsContact C-N 3.28Å; W287-Q289 PolarHBondContact O-N 3.15Å; W287-A290 PolarHBondContact O-N 3.05Å; W287-S291 PolarHBondContact O-N 3.16Å; W287-S291 PolarHBondContact O-OG 3.32Å; W287-S291 VanDerWaalsContact O-OG 3.1Å
288	E	97.5	Very high	96.8	Very high	52 Å²	52	36.2 Å²	36.2	24%	0.243	19%	0.191	C	C	.	.	H	α-helix	trans	-61.5	-41.3	173	-74	164.1	110.2	0	0	110.9	P29 V30 T285	P29-E288 HydrophobicContact CB-CG 4.17Å; V30-E288 HydrophobicContact CB-CG 4.39Å; V30-E288 HydrophobicContact CG1-CG 4Å; T285-E288 WeakPolarHBondContact CB-OE2 3.26Å; T285-E288 PolarHBondContact N-OE2 3.04Å; T285-E288 PolarHBondContact O-N 3.35Å; T285-E288 WeakPolarHBondContact OG1-CG 3.47Å; T285-E288 PolarHBondContact OG1-N 3.13Å; T285-E288 PolarHBondContact OG1-OE2 2.53Å
289	Q	98.1	Very high	96.9	Very high	5 Å²	5	41.6 Å²	41.6	2%	0.023	22%	0.221	C	C	.	.	H	α-helix	trans	-70.5	-42.7	176.3	-57	-59.4	-46.3	0	0	111.6	M54 T242 V286 W287 S291 I292 I293 T311	M54-Q289 HydrophobicContact CE-CB 3.36Å; M54-Q289 HydrophobicContact CE-CG 3.53Å; M54-Q289 HydrophobicContact SD-CB 3.37Å; M54-Q289 WeakPolarHBondContact SD-CB 3.31Å; M54-Q289 HydrophobicContact SD-CG 4.22Å; T242-Q289 HydrophobicContact CG2-CG 3.96Å; V286-Q289 PolarHBondContact O-N 3.16Å; W287-Q289 VanDerWaalsContact C-N 3.28Å; W287-Q289 PolarHBondContact O-N 3.15Å; Q289-S291 VanDerWaalsContact C-N 3.27Å; Q289-S291 PolarHBondContact O-N 3.03Å; Q289-I292 PolarHBondContact O-N 2.78Å; Q289-I292 VanDerWaalsContact O-N 3.15Å; Q289-I293 HydrophobicContact CB-CD1 4.44Å; Q289-I293 WeakPolarHBondContact O-CD1 3.14Å; Q289-I293 VanDerWaalsContact O-CG1 3.29Å; Q289-I293 WeakPolarHBondContact O-CG1 3.43Å; Q289-I293 PolarHBondContact O-N 3.31Å; Q289-T311 PolarHBondContact NE2-O 3.27Å; Q289-T311 PolarHBondContact OE1-O 2.96Å; Q289-T311 PolarHBondContact OE1-OG1 3.12Å
290	A	98.3	Very high	97.2	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-58.5	-39	177.7	0	0	0	0	0	112	V58 V286 W287 I292 I293 L294	V58-A290 HydrophobicContact CG2-CB 3.96Å; V286-A290 WeakPolarHBondContact O-CB 3.39Å; V286-A290 PolarHBondContact O-N 3.18Å; W287-A290 PolarHBondContact O-N 3.05Å; A290-I292 VanDerWaalsContact C-N 3.35Å; A290-I292 PolarHBondContact O-N 2.97Å; A290-I293 PolarHBondContact O-N 2.92Å; A290-L294 WeakPolarHBondContact O-CB 3.4Å; A290-L294 VanDerWaalsContact O-CG 3.24Å; A290-L294 WeakPolarHBondContact O-CG 3.28Å; A290-L294 PolarHBondContact O-N 3.22Å
291	S	97.9	Very high	97.4	Very high	33 Å²	33	36.5 Å²	36.5	23%	0.231	19%	0.194	C	C	.	.	H	α-helix	trans	-57.2	-45.7	175.2	-65.4	0	0	0	0	112.5	R61 W287 Q289 L295	R61-S291 PolarHBondContact NH1-OG 3.42Å; W287-S291 PolarHBondContact O-N 3.16Å; W287-S291 PolarHBondContact O-OG 3.32Å; W287-S291 VanDerWaalsContact O-OG 3.1Å; Q289-S291 VanDerWaalsContact C-N 3.27Å; Q289-S291 PolarHBondContact O-N 3.03Å; S291-L295 WeakPolarHBondContact O-CB 3.33Å; S291-L295 PolarHBondContact O-N 2.79Å
292	I	98.4	Very high	97.7	Very high	65 Å²	65	36.9 Å²	36.9	33%	0.333	21%	0.206	S	C	.	.	H	α-helix	trans	-73.8	-40.6	-178.6	-55.7	-64	0	0	0	111.6	V237 Q289 A290 L294 L295 L296 T311	V237-I292 HydrophobicContact CG1-CG2 4.12Å; Q289-I292 PolarHBondContact O-N 2.78Å; Q289-I292 VanDerWaalsContact O-N 3.15Å; A290-I292 VanDerWaalsContact C-N 3.35Å; A290-I292 PolarHBondContact O-N 2.97Å; I292-L294 VanDerWaalsContact C-N 3.34Å; I292-L294 PolarHBondContact O-N 3.4Å; I292-L295 PolarHBondContact O-N 3.03Å; I292-L296 HydrophobicContact CG2-CD1 4.09Å; I292-L296 HydrophobicContact CG2-CG 4.42Å; I292-L296 WeakPolarHBondContact O-CB 3.48Å; I292-L296 VanDerWaalsContact O-CG 3.3Å; I292-L296 WeakPolarHBondContact O-CG 3.31Å; I292-L296 PolarHBondContact O-N 3.32Å; I292-T311 HydrophobicContact CB-CG2 4.09Å; I292-T311 HydrophobicContact CG1-CG2 4.2Å; I292-T311 HydrophobicContact CG2-CG2 3.64Å
293	I	98.8	Very high	97.9	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-58.6	-48.6	176.5	-68.7	162.4	0	0	0	110.1	M54 V58 V124 V192 I194 V237 Q289 A290 L296 L297	M54-I293 HydrophobicContact CG-CD1 4.08Å; M54-I293 HydrophobicContact SD-CD1 3.94Å; V58-I293 HydrophobicContact CG1-CG2 4.08Å; V58-I293 HydrophobicContact CG2-CB 4.33Å; V58-I293 HydrophobicContact CG2-CD1 3.72Å; V58-I293 HydrophobicContact CG2-CG2 4.15Å; V124-I293 HydrophobicContact CG1-CG2 4.06Å; V124-I293 HydrophobicContact CG2-CG2 3.89Å; V192-I293 HydrophobicContact CB-CG2 4.28Å; V192-I293 HydrophobicContact CG1-CG1 4.21Å; V192-I293 HydrophobicContact CG1-CG2 4.15Å; I194-I293 HydrophobicContact CD1-CD1 3.64Å; I194-I293 HydrophobicContact CD1-CG1 4.06Å; V237-I293 HydrophobicContact CG1-CG1 4.22Å; V237-I293 HydrophobicContact CG2-CD1 4.26Å; V237-I293 HydrophobicContact CG2-CG1 3.87Å; Q289-I293 HydrophobicContact CB-CD1 4.44Å; Q289-I293 WeakPolarHBondContact O-CD1 3.14Å; Q289-I293 VanDerWaalsContact O-CG1 3.29Å; Q289-I293 WeakPolarHBondContact O-CG1 3.43Å; Q289-I293 PolarHBondContact O-N 3.31Å; A290-I293 PolarHBondContact O-N 2.92Å; I293-L296 PolarHBondContact O-N 2.88Å; I293-L297 WeakPolarHBondContact O-CG 3.45Å; I293-L297 PolarHBondContact O-N 2.99Å; I293-L297 VanDerWaalsContact O-N 3.08Å
294	L	98.8	Very high	98.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-71.1	-35.4	-178.8	-63.6	177.3	0	0	0	112.4	F40 I45 V58 R61 A62 A290 I292 L296 L297 S298	F40-L294 HydrophobicContact CE2-CB 3.95Å; F40-L294 HydrophobicContact CE2-CD1 4.4Å; F40-L294 HydrophobicContact CE2-CD2 3.73Å; F40-L294 HydrophobicContact CE2-CG 4.23Å; F40-L294 HydrophobicContact CZ-CB 4.03Å; F40-L294 HydrophobicContact CZ-CD2 4.07Å; F40-L294 WeakPolarHBondContact CZ-O 3.43Å; I45-L294 HydrophobicContact CD1-CD2 4.48Å; V58-L294 HydrophobicContact CG1-CD2 3.89Å; V58-L294 HydrophobicContact CG1-CG 4.49Å; R61-L294 HydrophobicContact CB-CD1 3.98Å; R61-L294 HydrophobicContact CG-CD1 3.62Å; A62-L294 HydrophobicContact CB-CD2 3.87Å; A290-L294 WeakPolarHBondContact O-CB 3.4Å; A290-L294 VanDerWaalsContact O-CG 3.24Å; A290-L294 WeakPolarHBondContact O-CG 3.28Å; A290-L294 PolarHBondContact O-N 3.22Å; I292-L294 VanDerWaalsContact C-N 3.34Å; I292-L294 PolarHBondContact O-N 3.4Å; L294-L296 VanDerWaalsContact C-N 3.3Å; L294-L296 PolarHBondContact O-N 3.35Å; L294-L297 HydrophobicContact CD2-CD1 4.3Å; L294-L297 PolarHBondContact O-N 3.16Å; L294-S298 WeakPolarHBondContact O-CB 3.31Å; L294-S298 PolarHBondContact O-N 2.86Å
295	L	98.7	Very high	98.2	Very high	58 Å²	58	42.6 Å²	42.6	30%	0.304	24%	0.241	S	C	.	.	H	α-helix	trans	-55.3	-48.5	169.2	177.3	151.1	0	0	0	110.6	S291 I292 L297 S298 A301 L304	S291-L295 WeakPolarHBondContact O-CB 3.33Å; S291-L295 PolarHBondContact O-N 2.79Å; I292-L295 PolarHBondContact O-N 3.03Å; L295-L297 VanDerWaalsContact C-N 3.25Å; L295-L297 PolarHBondContact O-N 2.87Å; L295-S298 PolarHBondContact O-N 3.25Å; L295-S298 VanDerWaalsContact O-N 3.13Å; L295-S298 PolarHBondContact O-OG 3.12Å; L295-A301 HydrophobicContact CD2-CB 4.34Å; L295-A301 VanDerWaalsContact O-CB 3.23Å; L295-A301 WeakPolarHBondContact O-CB 3.34Å; L295-L304 HydrophobicContact CD2-CD1 4.47Å
296	L	98.9	Very high	98.3	Very high	2 Å²	2	42 Å²	42	1%	0.01	24%	0.241	C	C	.	.	H	α-helix	trans	-65.2	-26.5	-179.2	-71.1	172.9	0	0	0	113.4	V192 R233 N235 V237 I292 I293 L294 A301 L304 Y309	V192-L296 HydrophobicContact CG2-CB 3.59Å; V192-L296 HydrophobicContact CG2-CD1 4.4Å; R233-L296 PolarHBondContact NH1-O 2.98Å; R233-L296 PolarHBondContact NH2-O 2.96Å; N235-L296 HydrophobicContact CB-CD1 4.35Å; N235-L296 HydrophobicContact CB-CD2 4.43Å; V237-L296 HydrophobicContact CG1-CD1 3.51Å; I292-L296 HydrophobicContact CG2-CD1 4.09Å; I292-L296 HydrophobicContact CG2-CG 4.42Å; I292-L296 WeakPolarHBondContact O-CB 3.48Å; I292-L296 VanDerWaalsContact O-CG 3.3Å; I292-L296 WeakPolarHBondContact O-CG 3.31Å; I292-L296 PolarHBondContact O-N 3.32Å; I293-L296 PolarHBondContact O-N 2.88Å; L294-L296 VanDerWaalsContact C-N 3.3Å; L294-L296 PolarHBondContact O-N 3.35Å; L296-A301 HydrophobicContact CD2-CB 4.48Å; L296-L304 HydrophobicContact CD2-CD1 4Å; L296-Y309 HydrophobicContact CD1-CD2 3.78Å; L296-Y309 HydrophobicContact CD1-CE2 4.23Å; L296-Y309 HydrophobicContact CD1-CG 4.38Å; L296-Y309 HydrophobicContact CD2-CD2 3.91Å; L296-Y309 HydrophobicContact CD2-CE2 3.54Å
297	L	98.9	Very high	98.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-77.8	-35.8	172.1	-68.8	-178.5	0	0	0	113	F40 I45 Y122 V124 A190 V192 R233 I293 L294 L295	F40-L297 HydrophobicContact CE1-CB 4.03Å; F40-L297 HydrophobicContact CZ-CB 4.12Å; I45-L297 HydrophobicContact CD1-CD1 4.13Å; I45-L297 HydrophobicContact CG2-CD1 4.1Å; Y122-L297 HydrophobicContact CD1-CB 4.35Å; Y122-L297 HydrophobicContact CD1-CD2 4.4Å; Y122-L297 VanDerWaalsContact CE1-O 3.25Å; Y122-L297 WeakPolarHBondContact CE1-O 3.34Å; Y122-L297 HydrophobicContact CG-CB 4.39Å; Y122-L297 HydrophobicContact CG-CD2 4.48Å; V124-L297 HydrophobicContact CG2-CD1 3.65Å; A190-L297 HydrophobicContact CB-CD2 4Å; A190-L297 WeakPolarHBondContact O-CD2 3.45Å; V192-L297 HydrophobicContact CB-CD2 4.34Å; V192-L297 HydrophobicContact CG2-CD2 3.75Å; V192-L297 HydrophobicContact CG2-CG 4Å; R233-L297 PolarHBondContact NH2-O 3.39Å; I293-L297 WeakPolarHBondContact O-CG 3.45Å; I293-L297 PolarHBondContact O-N 2.99Å; I293-L297 VanDerWaalsContact O-N 3.08Å; L294-L297 HydrophobicContact CD2-CD1 4.3Å; L294-L297 PolarHBondContact O-N 3.16Å; L295-L297 VanDerWaalsContact C-N 3.25Å; L295-L297 PolarHBondContact O-N 2.87Å
298	S	98.6	Very high	98.4	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.021	25%	0.246	C	C	.	.	S	Bend	trans	-71.2	170.3	-175	76.9	0	0	0	0	114.4	R233 L294 L295 E300 A301	R233-S298 PolarHBondContact NH2-O 3.05Å; L294-S298 WeakPolarHBondContact O-CB 3.31Å; L294-S298 PolarHBondContact O-N 2.86Å; L295-S298 PolarHBondContact O-N 3.25Å; L295-S298 VanDerWaalsContact O-N 3.13Å; L295-S298 PolarHBondContact O-OG 3.12Å; S298-E300 PolarHBondContact O-N 3.42Å; S298-E300 WeakPolarHBondContact OG-CB 3.39Å; S298-E300 PolarHBondContact OG-N 3Å; S298-A301 PolarHBondContact O-N 3.45Å; S298-A301 VanDerWaalsContact O-N 3.15Å
299	D	97.3	Very high	98.4	Very high	128 Å²	128	42.6 Å²	42.6	68%	0.684	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-66.8	-16.4	175	-66.1	-26.9	0	0	0	113.3	A301 S302	D299-A301 PolarHBondContact O-N 3.29Å; D299-S302 WeakPolarHBondContact O-CB 3.38Å; D299-S302 PolarHBondContact O-N 2.56Å; D299-S302 PolarHBondContact O-OG 3.24Å
300	E	98	Very high	98.4	Very high	118 Å²	118	44.9 Å²	44.9	55%	0.551	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-60.8	-25.3	172.3	-55.8	178.7	-106.5	0	0	111.4	R39 S298	R39-E300 IonicContact NH1-OE1 2.83Å; S298-E300 PolarHBondContact O-N 3.42Å; S298-E300 WeakPolarHBondContact OG-CB 3.39Å; S298-E300 PolarHBondContact OG-N 3Å
301	A	98.4	Very high	98.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-95.5	22.4	176	0	0	0	0	0	113.3	R233 L295 L296 S298 D299 S303 L304	R233-A301 WeakPolarHBondContact CD-O 3.23Å; R233-A301 PolarHBondContact NE-O 2.92Å; R233-A301 PolarHBondContact NH1-O 3.09Å; R233-A301 VanDerWaalsContact NH1-O 3.13Å; L295-A301 HydrophobicContact CD2-CB 4.34Å; L295-A301 VanDerWaalsContact O-CB 3.23Å; L295-A301 WeakPolarHBondContact O-CB 3.34Å; L296-A301 HydrophobicContact CD2-CB 4.48Å; S298-A301 PolarHBondContact O-N 3.45Å; S298-A301 VanDerWaalsContact O-N 3.15Å; D299-A301 PolarHBondContact O-N 3.29Å; A301-S303 PolarHBondContact O-N 3.11Å; A301-S303 VanDerWaalsContact O-N 3.09Å; A301-L304 HydrophobicContact CB-CB 4.08Å; A301-L304 HydrophobicContact CB-CD1 3.96Å; A301-L304 HydrophobicContact CB-CG 4.25Å; A301-L304 WeakPolarHBondContact O-CB 3.46Å; A301-L304 PolarHBondContact O-N 2.8Å
302	S	97.9	Very high	98.3	Very high	93 Å²	93	44.4 Å²	44.4	65%	0.65	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-29.3	-175.9	51.9	0	0	0	0	114.8	D299	D299-S302 WeakPolarHBondContact O-CB 3.38Å; D299-S302 PolarHBondContact O-N 2.56Å; D299-S302 PolarHBondContact O-OG 3.24Å
303	S	98	Very high	98.2	Very high	114 Å²	114	42.1 Å²	42.1	80%	0.797	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	6.6	176	-158.5	0	0	0	0	113.9	A301	A301-S303 PolarHBondContact O-N 3.11Å; A301-S303 VanDerWaalsContact O-N 3.09Å
304	L	98.8	Very high	98.1	Very high	59 Å²	59	42.7 Å²	42.7	31%	0.309	26%	0.261	S	S	.	.			trans	-110.9	109.2	-173.5	-54.7	-174.3	0	0	0	111.3	R233 N235 L295 L296 A301 Y309	R233-L304 WeakPolarHBondContact CD-O 3.24Å; R233-L304 PolarHBondContact NH1-O 3.41Å; N235-L304 PolarHBondContact ND2-O 2.88Å; L295-L304 HydrophobicContact CD2-CD1 4.47Å; L296-L304 HydrophobicContact CD2-CD1 4Å; A301-L304 HydrophobicContact CB-CB 4.08Å; A301-L304 HydrophobicContact CB-CD1 3.96Å; A301-L304 HydrophobicContact CB-CG 4.25Å; A301-L304 WeakPolarHBondContact O-CB 3.46Å; A301-L304 PolarHBondContact O-N 2.8Å; L304-Y309 WeakPolarHBondContact CB-OH 3.4Å
305	T	98.8	Very high	98	Very high	61 Å²	61	43.5 Å²	43.5	37%	0.374	27%	0.265	S	S	.	.			trans	-147.3	150.7	170.8	-165.4	0	0	0	0	110.5	A224 R233 V234 N235 G307	A224-T305 WeakPolarHBondContact CB-OG1 3.35Å; R233-T305 WeakPolarHBondContact CA-OG1 3.26Å; V234-T305 PolarHBondContact N-OG1 3.22Å; V234-T305 VanDerWaalsContact N-OG1 3.1Å; N235-T305 VanDerWaalsContact OD1-C 3.31Å; N235-T305 WeakPolarHBondContact OD1-CA 3.29Å; N235-T305 PolarHBondContact OD1-N 3.39Å; T305-G307 PolarHBondContact O-N 3.42Å
306	G	98.7	Very high	97.8	Very high	21 Å²	21	42.5 Å²	42.5	22%	0.216	26%	0.261	C	S	.	.	S	Bend	trans	70.6	3.8	-176.6	0	0	0	0	0	114.4	A224 V234 N235	A224-G306 VanDerWaalsContact CB-N 3.28Å; V234-G306 WeakPolarHBondContact O-CA 3Å; V234-G306 PolarHBondContact O-N 2.82Å; N235-G306 PolarHBondContact OD1-N 3.27Å
307	G	98.6	Very high	97.5	Very high	16 Å²	16	47.2 Å²	47.2	17%	0.165	29%	0.29	C	S	.	.			trans	-73.3	139	-177	0	0	0	0	0	112.2	N235 S236 T305	N235-G307 PolarHBondContact OD1-N 3.48Å; S236-G307 PolarHBondContact N-O 2.8Å; T305-G307 PolarHBondContact O-N 3.42Å
308	I	98.6	Very high	96.8	Very high	48 Å²	48	55.5 Å²	55.5	25%	0.246	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	88.4	175.1	-51.4	-55.2	0	0	0	106.6	I200 N217 T220 K221 S236 N238	I200-I308 HydrophobicContact CD1-CG2 4.39Å; I200-I308 HydrophobicContact CG1-CG2 4.24Å; N217-I308 HydrophobicContact CB-CD1 3.89Å; N217-I308 HydrophobicContact CB-CG2 4.49Å; T220-I308 HydrophobicContact CG2-CD1 4.06Å; K221-I308 HydrophobicContact CG-CD1 4.25Å; S236-I308 VanDerWaalsContact OG-CD1 3.24Å; S236-I308 WeakPolarHBondContact OG-CD1 3.48Å; N238-I308 WeakPolarHBondContact ND2-CG2 2.97Å
309	Y	98.5	Very high	96.7	Very high	70 Å²	70	58.1 Å²	58.1	28%	0.275	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	117.5	-171.1	-62.5	-84.7	0	0	0	110.3	N235 S236 V237 N238 L296 L304 T311	N235-Y309 HydrophobicContact CB-CD2 4.3Å; N235-Y309 HydrophobicContact CB-CE2 3.95Å; S236-Y309 WeakPolarHBondContact O-CD2 3.24Å; S236-Y309 PolarHBondContact O-N 3.07Å; V237-Y309 CarbonylContact C-O 3.44Å; V237-Y309 WeakPolarHBondContact CA-O 3.28Å; N238-Y309 WeakPolarHBondContact CB-O 3.45Å; N238-Y309 PolarHBondContact N-O 3.4Å; N238-Y309 PolarHBondContact ND2-O 3.13Å; L296-Y309 HydrophobicContact CD1-CD2 3.78Å; L296-Y309 HydrophobicContact CD1-CE2 4.23Å; L296-Y309 HydrophobicContact CD1-CG 4.38Å; L296-Y309 HydrophobicContact CD2-CD2 3.91Å; L296-Y309 HydrophobicContact CD2-CE2 3.54Å; L304-Y309 WeakPolarHBondContact CB-OH 3.4Å; Y309-T311 PolarHBondContact O-N 3.2Å
310	A	98.2	Very high	96.7	Very high	53 Å²	53	54.4 Å²	54.4	44%	0.438	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	108.9	169.2	0	0	0	0	0	109.4	I200	I200-A310 HydrophobicContact CD1-CB 4.11Å
311	T	97.6	Very high	96.6	Very high	17 Å²	17	50.9 Å²	50.9	10%	0.104	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	47.8	175.1	56.3	0	0	0	0	109.1	V237 N238 Q289 I292 Y309	V237-T311 HydrophobicContact CB-CG2 4.19Å; V237-T311 HydrophobicContact CG1-CG2 4.14Å; N238-T311 PolarHBondContact O-N 3.23Å; Q289-T311 PolarHBondContact NE2-O 3.27Å; Q289-T311 PolarHBondContact OE1-O 2.96Å; Q289-T311 PolarHBondContact OE1-OG1 3.12Å; I292-T311 HydrophobicContact CB-CG2 4.09Å; I292-T311 HydrophobicContact CG1-CG2 4.2Å; I292-T311 HydrophobicContact CG2-CG2 3.64Å; Y309-T311 PolarHBondContact O-N 3.2Å
312	D	96.8	Very high	96.5	Very high	6 Å²	6	53.9 Å²	53.9	3%	0.032	32%	0.324	C	S	.	.	S	Bend	trans	-115.5	10.7	-162.6	68.3	1.1	0	0	0	114.4	A197 G240 S272 G314 F315 T316	A197-D312 HydrophobicContact CB-CB 4.21Å; G240-D312 VanDerWaalsContact N-CA 3.31Å; G240-D312 VanDerWaalsContact N-CB 3.3Å; S272-D312 WeakPolarHBondContact CB-O 2.86Å; D312-G314 PolarHBondContact O-N 3.15Å; D312-G314 WeakPolarHBondContact OD1-CA 3.35Å; D312-G314 PolarHBondContact OD1-N 3.22Å; D312-F315 HydrophobicContact CB-CB 3.8Å; D312-F315 VanDerWaalsContact CG-N 3.3Å; D312-F315 WeakPolarHBondContact O-CB 3.2Å; D312-F315 PolarHBondContact O-N 3.01Å; D312-F315 PolarHBondContact OD1-N 3.23Å; D312-F315 VanDerWaalsContact OD1-N 3.15Å; D312-F315 PolarHBondContact OD2-N 2.97Å; D312-T316 VanDerWaalsContact OD2-CB 3.29Å; D312-T316 WeakPolarHBondContact OD2-CB 3.42Å; D312-T316 WeakPolarHBondContact OD2-CG2 3.14Å; D312-T316 PolarHBondContact OD2-N 3.28Å; D312-T316 PolarHBondContact OD2-OG1 3.48Å
313	G	96.2	Very high	96.5	Very high	17 Å²	17	51.4 Å²	51.4	18%	0.175	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.7	23.8	-175.4	0	0	0	0	0	113.7	S272 L273 I274	S272-G313 VanDerWaalsContact CB-O 3.27Å; S272-G313 WeakPolarHBondContact CB-O 3.31Å; S272-G313 PolarHBondContact OG-O 3.05Å; L273-G313 PolarHBondContact N-O 3.13Å; I274-G313 PolarHBondContact N-O 3.04Å
314	G	96.3	Very high	96.4	Very high	13 Å²	13	47.3 Å²	47.3	13%	0.134	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.6	24.5	-176.5	0	0	0	0	0	113.9	D312 T316 T317	D312-G314 PolarHBondContact O-N 3.15Å; D312-G314 WeakPolarHBondContact OD1-CA 3.35Å; D312-G314 PolarHBondContact OD1-N 3.22Å; G314-T316 VanDerWaalsContact C-N 3.31Å; G314-T317 VanDerWaalsContact CA-OG1 3.26Å; G314-T317 WeakPolarHBondContact CA-OG1 3.48Å; G314-T317 PolarHBondContact O-N 2.82Å; G314-T317 PolarHBondContact O-OG1 3.21Å
315	F	95.4	Very high	96.2	Very high	16 Å²	16	46.4 Å²	46.4	7%	0.07	27%	0.269	C	S	.	.	S	Bend	trans	-64.5	-35.4	176.4	-174.5	-86.3	0	0	0	112	A197 V201 K269 D312	A197-F315 HydrophobicContact CB-CD1 3.74Å; A197-F315 HydrophobicContact CB-CE1 4.3Å; A197-F315 HydrophobicContact CB-CG 4.39Å; V201-F315 HydrophobicContact CG2-CE1 4.4Å; K269-F315 HydrophobicContact CB-CE2 3.94Å; K269-F315 HydrophobicContact CB-CZ 3.72Å; K269-F315 HydrophobicContact CD-CD1 4.37Å; K269-F315 HydrophobicContact CD-CD2 4.12Å; K269-F315 HydrophobicContact CD-CE1 4.07Å; K269-F315 HydrophobicContact CD-CE2 3.8Å; K269-F315 HydrophobicContact CD-CG 4.41Å; K269-F315 HydrophobicContact CD-CZ 3.78Å; K269-F315 WeakPolarHBondContact CE-O 3.13Å; K269-F315 HydrophobicContact CG-CD2 4.25Å; K269-F315 HydrophobicContact CG-CE2 3.59Å; K269-F315 HydrophobicContact CG-CZ 3.79Å; K269-F315 PolarHBondContact NZ-O 2.74Å; D312-F315 HydrophobicContact CB-CB 3.8Å; D312-F315 VanDerWaalsContact CG-N 3.3Å; D312-F315 WeakPolarHBondContact O-CB 3.2Å; D312-F315 PolarHBondContact O-N 3.01Å; D312-F315 PolarHBondContact OD1-N 3.23Å; D312-F315 VanDerWaalsContact OD1-N 3.15Å; D312-F315 PolarHBondContact OD2-N 2.97Å
316	T	95.3	Very high	96	Very high	37 Å²	37	45.3 Å²	45.3	23%	0.227	26%	0.26	C	S	.	.	S	Bend	trans	-93.8	2.3	-179.3	53.4	0	0	0	0	113.7	A197 I200 V201 D312 G314	A197-T316 HydrophobicContact CB-CG2 3.89Å; I200-T316 HydrophobicContact CB-CG2 4.16Å; I200-T316 HydrophobicContact CD1-CG2 4.47Å; I200-T316 HydrophobicContact CG2-CG2 4.26Å; V201-T316 HydrophobicContact CG1-CG2 3.94Å; V201-T316 HydrophobicContact CG2-CG2 4.01Å; D312-T316 VanDerWaalsContact OD2-CB 3.29Å; D312-T316 WeakPolarHBondContact OD2-CB 3.42Å; D312-T316 WeakPolarHBondContact OD2-CG2 3.14Å; D312-T316 PolarHBondContact OD2-N 3.28Å; D312-T316 PolarHBondContact OD2-OG1 3.48Å; G314-T316 VanDerWaalsContact C-N 3.31Å
317	T	93.7	Very high	95.8	Very high	101 Å²	101	47.3 Å²	47.3	62%	0.62	26%	0.264	S	S	*	.			trans	-70.3	-31.9	-176.1	-57.2	0	0	0	0	113.9	G314	G314-T317 VanDerWaalsContact CA-OG1 3.26Å; G314-T317 WeakPolarHBondContact CA-OG1 3.48Å; G314-T317 PolarHBondContact O-N 2.82Å; G314-T317 PolarHBondContact O-OG1 3.21Å
318	Y	83.9	Confident	95.5	Very high	174 Å²	174	50.2 Å²	50.2	68%	0.682	27%	0.273	S	S	*	.			trans	-150.3	0	-175.5	68.4	-84.6	0	0	0	113.2	K269 L273	K269-Y318 PolarHBondContact NZ-O 3.34Å; L273-Y318 HydrophobicContact CB-CE1 4.09Å; L273-Y318 HydrophobicContact CD1-CE1 3.97Å

Retrieved 318 of 318 residues in 881.7 ms (Link to these results)

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