G7Q0E3_MACFA Loading...

Heme oxygenase

AlphaFold DB , UniProt , Accession G7Q0E3, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene HMOX2, Length 316 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	38.2	Very low	42.2	Very low	249 Å²	249	144.7 Å²	144.7	100%	1.227	85%	0.847	S	S	*	*				0	97.1	0	-77.7	159.8	78.3	0	0	106.3
2	S	36.1	Very low	43.1	Very low	128 Å²	128	140.1 Å²	140.1	90%	0.895	82%	0.816	S	S	*	*			trans	-86.9	129.3	177.4	-53.7	0	0	0	0	107.6
3	A	38.3	Very low	43.6	Very low	97 Å²	97	142.5 Å²	142.5	80%	0.802	81%	0.814	S	S	*	*			trans	-105.3	121.4	173.9	0	0	0	0	0	108.4
4	E	40.8	Very low	43.9	Very low	189 Å²	189	138.5 Å²	138.5	88%	0.883	80%	0.8	S	S	*	*			trans	-75	137.8	171.6	-69.8	169.9	152.9	0	0	109.5
5	V	39.2	Very low	44.2	Very low	131 Å²	131	137.9 Å²	137.9	79%	0.794	79%	0.787	S	S	*	*			trans	-106.8	106	168.7	172.4	0	0	0	0	106.3
6	E	40.3	Very low	44.4	Very low	186 Å²	186	137.4 Å²	137.4	87%	0.869	77%	0.773	S	S	*	*			trans	-77.7	121.4	167.3	-77.6	-177.2	148.3	0	0	109.4
7	T	39.6	Very low	44.7	Very low	124 Å²	124	139.3 Å²	139.3	76%	0.761	77%	0.771	S	S	*	*			trans	-85	118.1	169.6	44.9	0	0	0	0	109.9	E9	T7-E9 PolarHBondContact O-N 3.32Å
8	S	41.4	Very low	45.2	Very low	121 Å²	121	137.4 Å²	137.4	85%	0.846	76%	0.76	S	S	*	*			trans	-79.6	101.1	170.4	173.9	0	0	0	0	109.9
9	E	50.3	Low	45.8	Very low	193 Å²	193	133.2 Å²	133.2	90%	0.902	74%	0.74	S	S	*	*			trans	-94.9	105.2	160.7	-75.1	-174.9	155.9	0	0	107.9	T7	T7-E9 PolarHBondContact O-N 3.32Å
10	G	50.6	Low	46.2	Very low	66 Å²	66	128.2 Å²	128.2	68%	0.68	72%	0.721	S	S	*	*			trans	-164.8	19.6	-177.2	0	0	0	0	0	116
11	V	49.5	Very low	46.7	Very low	108 Å²	108	124.6 Å²	124.6	66%	0.655	71%	0.707	S	S	*	*	S	Bend	trans	-142.8	78.1	179.4	-168	0	0	0	0	109.5
12	D	52.6	Low	47.5	Very low	89 Å²	89	117 Å²	117	48%	0.476	67%	0.671	S	S	.	*	S	Bend	trans	-157.1	-16.8	166.4	-159.6	21.5	0	0	0	114.7	K16	D12-K16 IonicContact OD1-NZ 3.87Å; D12-K16 PolarHBondContact OD1-NZ 3.32Å; D12-K16 IonicContact OD2-NZ 3.7Å; D12-K16 PolarHBondContact OD2-NZ 2.94Å
13	E	50	Low	48.5	Very low	171 Å²	171	117.2 Å²	117.2	80%	0.799	66%	0.658	S	S	*	*	H	α-helix	trans	-84.9	-28.6	-179.1	-77.7	-154.7	151.7	0	0	115
14	S	48.4	Very low	49.5	Very low	87 Å²	87	119.6 Å²	119.6	61%	0.608	65%	0.65	S	S	*	*	H	α-helix	trans	-79.4	-36.1	-176.9	57.7	0	0	0	0	112.9	N18	S14-N18 PolarHBondContact O-N 3.18Å
15	E	47.5	Very low	50.2	Low	130 Å²	130	114.7 Å²	114.7	61%	0.607	63%	0.627	S	S	*	*	H	α-helix	trans	-74	-38.6	-179.1	-67.7	-173.1	156	0	0	112.4	N18 S19	E15-N18 PolarHBondContact O-N 3.38Å; E15-S19 PolarHBondContact O-N 3.28Å
16	K	48.1	Very low	51	Low	129 Å²	129	112.5 Å²	112.5	56%	0.561	61%	0.611	S	S	*	*	H	α-helix	trans	-64.7	-36.6	173.2	-86.3	172.1	-179.9	150.8	0	113.5	D12 N18 S19 G20	D12-K16 IonicContact OD1-NZ 3.87Å; D12-K16 PolarHBondContact OD1-NZ 3.32Å; D12-K16 IonicContact OD2-NZ 3.7Å; D12-K16 PolarHBondContact OD2-NZ 2.94Å; K16-N18 VanDerWaalsContact C-N 3.33Å; K16-S19 PolarHBondContact O-OG 3.43Å; K16-G20 PolarHBondContact O-N 2.95Å
17	K	49.3	Very low	51.8	Low	170 Å²	170	110.6 Å²	110.6	74%	0.739	60%	0.602	S	S	*	*	H	α-helix	trans	-67.2	-36.1	174.3	-104.6	177.4	178	169.1	0	112	A21	K17-A21 WeakPolarHBondContact O-CB 3.47Å; K17-A21 PolarHBondContact O-N 3Å
18	N	54.3	Low	52.6	Low	106 Å²	106	109 Å²	109	57%	0.567	59%	0.587	S	S	*	*	H	α-helix	trans	-76.5	-37.1	-179.3	-145.9	21.2	0	0	0	111.9	S14 E15 K16 A21 L22	S14-N18 PolarHBondContact O-N 3.18Å; E15-N18 PolarHBondContact O-N 3.38Å; K16-N18 VanDerWaalsContact C-N 3.33Å; N18-A21 PolarHBondContact O-N 3.48Å; N18-L22 WeakPolarHBondContact O-CB 3.48Å; N18-L22 WeakPolarHBondContact O-CD1 3.5Å; N18-L22 PolarHBondContact O-N 3.29Å
19	S	55.9	Low	53.4	Low	56 Å²	56	109.9 Å²	109.9	39%	0.392	57%	0.572	S	S	.	*	H	α-helix	trans	-66.7	-42.5	175.2	83.3	0	0	0	0	112	E15 K16 A21 L22 E23	E15-S19 PolarHBondContact O-N 3.28Å; K16-S19 PolarHBondContact O-OG 3.43Å; S19-A21 VanDerWaalsContact C-N 3.32Å; S19-A21 PolarHBondContact O-N 3.39Å; S19-L22 PolarHBondContact O-N 2.91Å; S19-E23 WeakPolarHBondContact O-CB 3.34Å; S19-E23 WeakPolarHBondContact O-CG 3.39Å; S19-E23 PolarHBondContact O-N 3.03Å
20	G	54.1	Low	54.2	Low	34 Å²	34	108.1 Å²	108.1	35%	0.351	57%	0.566	S	S	.	*	H	α-helix	trans	-66.2	-32.3	176.5	0	0	0	0	0	113.3	K16 K24	K16-G20 PolarHBondContact O-N 2.95Å; G20-K24 WeakPolarHBondContact O-CB 3.22Å; G20-K24 PolarHBondContact O-N 3.01Å; G20-K24 VanDerWaalsContact O-N 3.09Å
21	A	56.1	Low	55.8	Low	53 Å²	53	106.1 Å²	106.1	44%	0.438	54%	0.543	S	S	.	.	H	α-helix	trans	-69.7	-43.8	173.5	0	0	0	0	0	111.9	K17 N18 S19 K24 E25	K17-A21 WeakPolarHBondContact O-CB 3.47Å; K17-A21 PolarHBondContact O-N 3Å; N18-A21 PolarHBondContact O-N 3.48Å; S19-A21 VanDerWaalsContact C-N 3.32Å; S19-A21 PolarHBondContact O-N 3.39Å; A21-K24 PolarHBondContact O-N 2.89Å; A21-E25 VanDerWaalsContact O-CB 3.27Å; A21-E25 WeakPolarHBondContact O-CB 3.44Å; A21-E25 PolarHBondContact O-N 3.01Å
22	L	55	Low	58	Low	90 Å²	90	104.8 Å²	104.8	47%	0.471	53%	0.532	S	S	.	.	H	α-helix	trans	-67.1	-38.2	177	-84.5	155.5	0	0	0	113.1	N18 S19 N26	N18-L22 WeakPolarHBondContact O-CB 3.48Å; N18-L22 WeakPolarHBondContact O-CD1 3.5Å; N18-L22 PolarHBondContact O-N 3.29Å; S19-L22 PolarHBondContact O-N 2.91Å; L22-N26 WeakPolarHBondContact O-CB 3.42Å; L22-N26 PolarHBondContact O-N 3.03Å
23	E	57.3	Low	60.1	Low	132 Å²	132	100.6 Å²	100.6	62%	0.617	51%	0.509	S	S	*	.	H	α-helix	trans	-66.9	-43.1	174.4	-78.1	176.8	169.1	0	0	111.5	S19 N26 Q27	S19-E23 WeakPolarHBondContact O-CB 3.34Å; S19-E23 WeakPolarHBondContact O-CG 3.39Å; S19-E23 PolarHBondContact O-N 3.03Å; E23-N26 PolarHBondContact O-N 3.35Å; E23-Q27 WeakPolarHBondContact O-CB 3.45Å; E23-Q27 PolarHBondContact O-N 3.32Å
24	K	58.3	Low	62.3	Low	146 Å²	146	92.8 Å²	92.8	64%	0.635	47%	0.473	S	S	*	.	H	α-helix	trans	-67.7	-36.4	177.2	-158.3	173.9	-171.5	-178.2	0	112	G20 A21 Q27 M28	G20-K24 WeakPolarHBondContact O-CB 3.22Å; G20-K24 PolarHBondContact O-N 3.01Å; G20-K24 VanDerWaalsContact O-N 3.09Å; A21-K24 PolarHBondContact O-N 2.89Å; K24-Q27 PolarHBondContact O-N 2.86Å; K24-M28 WeakPolarHBondContact O-CB 3.45Å; K24-M28 PolarHBondContact O-N 3.32Å
25	E	55.8	Low	64.6	Low	86 Å²	86	92.6 Å²	92.6	40%	0.402	46%	0.463	S	S	.	.	H	α-helix	trans	-67.9	-41.8	173.9	-165.1	-175.8	164.2	0	0	111.7	A21 M28 R29	A21-E25 VanDerWaalsContact O-CB 3.27Å; A21-E25 WeakPolarHBondContact O-CB 3.44Å; A21-E25 PolarHBondContact O-N 3.01Å; E25-M28 PolarHBondContact O-N 3.33Å; E25-R29 WeakPolarHBondContact O-CG 3.38Å; E25-R29 PolarHBondContact O-N 3.03Å; E25-R29 IonicContact OE1-CZ 3.68Å; E25-R29 IonicContact OE1-NE 3.43Å; E25-R29 IonicContact OE1-NH2 3.37Å; E25-R29 PolarHBondContact OE1-NH2 2.8Å
26	N	56.8	Low	66.9	Low	86 Å²	86	87.9 Å²	87.9	46%	0.46	44%	0.442	S	S	.	.	H	α-helix	trans	-67.7	-37.4	173.9	-84.5	-18.4	0	0	0	112.5	L22 E23 R29 M30	L22-N26 WeakPolarHBondContact O-CB 3.42Å; L22-N26 PolarHBondContact O-N 3.03Å; E23-N26 PolarHBondContact O-N 3.35Å; N26-R29 PolarHBondContact O-N 2.88Å; N26-M30 WeakPolarHBondContact O-CB 3.48Å; N26-M30 WeakPolarHBondContact O-CG 3.07Å; N26-M30 PolarHBondContact O-N 3.38Å; N26-M30 VanDerWaalsContact O-N 3.08Å
27	Q	57.8	Low	69.3	Low	146 Å²	146	81.8 Å²	81.8	68%	0.682	42%	0.415	S	S	*	.	H	α-helix	trans	-66.2	-38	175	-168.2	172	15.3	0	0	111.4	E23 K24 M30 A31	E23-Q27 WeakPolarHBondContact O-CB 3.45Å; E23-Q27 PolarHBondContact O-N 3.32Å; K24-Q27 PolarHBondContact O-N 2.86Å; Q27-M30 PolarHBondContact O-N 3.46Å; Q27-A31 PolarHBondContact O-N 3.05Å; Q27-A31 VanDerWaalsContact O-N 3.11Å
28	M	56.3	Low	71.5	Confident	89 Å²	89	75.4 Å²	75.4	44%	0.438	39%	0.387	S	S	.	.	H	α-helix	trans	-64.2	-44.6	170.4	-99.9	171.5	46.5	0	0	112.4	K24 E25 M30 A31 M213	K24-M28 WeakPolarHBondContact O-CB 3.45Å; K24-M28 PolarHBondContact O-N 3.32Å; E25-M28 PolarHBondContact O-N 3.33Å; M28-M30 PolarHBondContact O-N 3.07Å; M28-A31 WeakPolarHBondContact O-CB 3.47Å; M28-A31 PolarHBondContact O-N 3.07Å; M28-A31 VanDerWaalsContact O-N 3.12Å; M28-M213 HydrophobicContact CB-CE 4.47Å
29	R	58.2	Low	73.5	Confident	141 Å²	141	77.1 Å²	77.1	53%	0.532	39%	0.392	S	S	.	.	H	α-helix	trans	-60.4	-30.1	177.1	-74	176.7	-165.9	179.6	4.8	112.7	E25 N26	E25-R29 WeakPolarHBondContact O-CG 3.38Å; E25-R29 PolarHBondContact O-N 3.03Å; E25-R29 IonicContact OE1-CZ 3.68Å; E25-R29 IonicContact OE1-NE 3.43Å; E25-R29 IonicContact OE1-NH2 3.37Å; E25-R29 PolarHBondContact OE1-NH2 2.8Å; N26-R29 PolarHBondContact O-N 2.88Å
30	M	66.3	Low	75.5	Confident	156 Å²	156	76.1 Å²	76.1	77%	0.768	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	0.9	179.4	-67.3	-65.6	-65.5	0	0	114	N26 Q27 M28 D32	N26-M30 WeakPolarHBondContact O-CB 3.48Å; N26-M30 WeakPolarHBondContact O-CG 3.07Å; N26-M30 PolarHBondContact O-N 3.38Å; N26-M30 VanDerWaalsContact O-N 3.08Å; Q27-M30 PolarHBondContact O-N 3.46Å; M28-M30 PolarHBondContact O-N 3.07Å; M30-D32 PolarHBondContact O-N 3.03Å
31	A	83.9	Confident	77.6	Confident	24 Å²	24	74.5 Å²	74.5	20%	0.198	37%	0.374	C	S	.	.			trans	-69.3	134	-176.2	0	0	0	0	0	111.8	Q27 M28 L36 K216	Q27-A31 PolarHBondContact O-N 3.05Å; Q27-A31 VanDerWaalsContact O-N 3.11Å; M28-A31 WeakPolarHBondContact O-CB 3.47Å; M28-A31 PolarHBondContact O-N 3.07Å; M28-A31 VanDerWaalsContact O-N 3.12Å; A31-L36 HydrophobicContact CB-CD1 4.05Å; A31-L36 HydrophobicContact CB-CD2 3.89Å; A31-L36 HydrophobicContact CB-CG 3.9Å; A31-K216 PolarHBondContact O-NZ 2.94Å
32	D	95	Very high	79.5	Confident	79 Å²	79	77.3 Å²	77.3	42%	0.422	38%	0.376	S	S	.	.			trans	-63.8	133.8	175.3	-87.4	-6.1	0	0	0	110.6	M30 S34 E35 L36 N207	M30-D32 PolarHBondContact O-N 3.03Å; D32-S34 PolarHBondContact O-N 3.42Å; D32-E35 HydrophobicContact CB-CG 4.38Å; D32-E35 PolarHBondContact O-N 3.26Å; D32-E35 VanDerWaalsContact O-N 3.11Å; D32-L36 PolarHBondContact O-N 2.77Å; D32-L36 VanDerWaalsContact O-N 3.08Å; D32-N207 HydrophobicContact CB-CB 4.46Å; D32-N207 WeakPolarHBondContact CB-ND2 3.43Å; D32-N207 PolarHBondContact OD2-ND2 3.07Å
33	L	96.6	Very high	81.5	Confident	2 Å²	2	79.6 Å²	79.6	1%	0.01	38%	0.384	C	S	.	.	H	α-helix	trans	-58.8	-35.9	-179	177.3	60.1	0	0	0	111.6	E35 L36 L37 V150 M206 N207 L209 L211 K216 I219	L33-E35 VanDerWaalsContact C-N 3.32Å; L33-E35 PolarHBondContact O-N 3.28Å; L33-L36 PolarHBondContact O-N 3.04Å; L33-L37 HydrophobicContact CD1-CD1 4.13Å; L33-L37 HydrophobicContact CD1-CG 4.2Å; L33-L37 HydrophobicContact CG-CD1 3.97Å; L33-L37 WeakPolarHBondContact O-CB 3.47Å; L33-L37 WeakPolarHBondContact O-CG 3.35Å; L33-L37 PolarHBondContact O-N 2.94Å; L33-V150 HydrophobicContact CD2-CG2 4.49Å; L33-M206 HydrophobicContact CD2-CB 4.4Å; L33-N207 PolarHBondContact N-OD1 2.76Å; L33-L209 HydrophobicContact CD2-CD1 4.32Å; L33-L211 HydrophobicContact CD2-CD1 3.95Å; L33-K216 HydrophobicContact CD1-CB 4.1Å; L33-K216 HydrophobicContact CD1-CG 4.18Å; L33-I219 HydrophobicContact CD1-CB 4.3Å; L33-I219 HydrophobicContact CD1-CD1 4.35Å; L33-I219 HydrophobicContact CD1-CG2 3.89Å; L33-I219 HydrophobicContact CD2-CD1 4.12Å
34	S	96.7	Very high	83.2	Confident	6 Å²	6	73.3 Å²	73.3	4%	0.042	36%	0.355	C	S	.	.	H	α-helix	trans	-60.6	-39.7	177.5	64	0	0	0	0	113.2	D32 K38 N207	D32-S34 PolarHBondContact O-N 3.42Å; S34-K38 WeakPolarHBondContact O-CB 3.42Å; S34-K38 PolarHBondContact O-N 3.19Å; S34-N207 WeakPolarHBondContact CB-OD1 3.5Å; S34-N207 PolarHBondContact N-OD1 2.93Å; S34-N207 PolarHBondContact OG-ND2 3.29Å; S34-N207 PolarHBondContact OG-OD1 3.45Å
35	E	96.3	Very high	84.9	Confident	84 Å²	84	68 Å²	68	39%	0.393	33%	0.332	S	S	.	.	H	α-helix	trans	-74.7	-42.5	178.7	-67.9	-53.5	130.1	0	0	110.7	D32 L33 L37 K38 E39	D32-E35 HydrophobicContact CB-CG 4.38Å; D32-E35 PolarHBondContact O-N 3.26Å; D32-E35 VanDerWaalsContact O-N 3.11Å; L33-E35 VanDerWaalsContact C-N 3.32Å; L33-E35 PolarHBondContact O-N 3.28Å; E35-L37 VanDerWaalsContact C-N 3.29Å; E35-L37 PolarHBondContact O-N 3.15Å; E35-K38 PolarHBondContact O-N 2.82Å; E35-K38 VanDerWaalsContact O-N 3.14Å; E35-E39 WeakPolarHBondContact O-CB 3.17Å; E35-E39 WeakPolarHBondContact O-CG 3.47Å; E35-E39 PolarHBondContact O-N 3.09Å
36	L	97.8	Very high	86.6	Confident	31 Å²	31	67.3 Å²	67.3	16%	0.162	33%	0.332	C	S	.	.	H	α-helix	trans	-57.9	-41.9	174.7	-69	174.2	0	0	0	112.1	A31 D32 L33 G40 M213 K216 V220	A31-L36 HydrophobicContact CB-CD1 4.05Å; A31-L36 HydrophobicContact CB-CD2 3.89Å; A31-L36 HydrophobicContact CB-CG 3.9Å; D32-L36 PolarHBondContact O-N 2.77Å; D32-L36 VanDerWaalsContact O-N 3.08Å; L33-L36 PolarHBondContact O-N 3.04Å; L36-G40 WeakPolarHBondContact O-CA 3.26Å; L36-G40 PolarHBondContact O-N 2.86Å; L36-M213 HydrophobicContact CD1-CE 3.77Å; L36-M213 HydrophobicContact CD1-SD 4.2Å; L36-M213 HydrophobicContact CD2-CE 4.18Å; L36-K216 HydrophobicContact CD1-CB 3.89Å; L36-K216 HydrophobicContact CD1-CD 3.89Å; L36-K216 HydrophobicContact CD1-CG 4.48Å; L36-V220 HydrophobicContact CB-CG2 3.93Å
37	L	97.9	Very high	88.4	Confident	0 Å²	0	69 Å²	69	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-65.5	-46.3	174.3	-82.6	166.3	0	0	0	111.8	L33 E35 T41 Y154 M206 I219 V220 A223	L33-L37 HydrophobicContact CD1-CD1 4.13Å; L33-L37 HydrophobicContact CD1-CG 4.2Å; L33-L37 HydrophobicContact CG-CD1 3.97Å; L33-L37 WeakPolarHBondContact O-CB 3.47Å; L33-L37 WeakPolarHBondContact O-CG 3.35Å; L33-L37 PolarHBondContact O-N 2.94Å; E35-L37 VanDerWaalsContact C-N 3.29Å; E35-L37 PolarHBondContact O-N 3.15Å; L37-T41 WeakPolarHBondContact O-CB 3.25Å; L37-T41 WeakPolarHBondContact O-CG2 3.47Å; L37-T41 PolarHBondContact O-N 2.75Å; L37-T41 PolarHBondContact O-OG1 2.94Å; L37-Y154 HydrophobicContact CB-CD1 4.24Å; L37-Y154 HydrophobicContact CB-CE1 3.8Å; L37-Y154 HydrophobicContact CB-CE2 4.18Å; L37-Y154 HydrophobicContact CD1-CD1 4.09Å; L37-Y154 HydrophobicContact CD1-CD2 3.99Å; L37-Y154 HydrophobicContact CD1-CE1 4.45Å; L37-Y154 HydrophobicContact CD1-CE2 4.34Å; L37-Y154 HydrophobicContact CD1-CG 3.85Å; L37-Y154 HydrophobicContact CD2-CD1 3.97Å; L37-Y154 HydrophobicContact CD2-CE1 4.19Å; L37-Y154 HydrophobicContact CG-CD1 4.35Å; L37-Y154 HydrophobicContact CG-CE1 4.39Å; L37-M206 HydrophobicContact CD1-SD 4.06Å; L37-I219 HydrophobicContact CD1-CG2 4.2Å; L37-I219 HydrophobicContact CD2-CG2 3.97Å; L37-I219 HydrophobicContact CG-CG2 4.29Å; L37-V220 HydrophobicContact CD2-CG2 4.25Å; L37-V220 HydrophobicContact CG-CG2 4.32Å; L37-A223 HydrophobicContact CD2-CB 3.47Å; L37-A223 VanDerWaalsContact CD2-CB 3.47Å
38	K	95.7	Very high	89.9	Confident	36 Å²	36	62.5 Å²	62.5	16%	0.157	30%	0.303	C	S	.	.	H	α-helix	trans	-60.1	-49.9	180	-176.5	178.6	-178.8	175.8	0	111.4	S34 E35 K42 W313 M316	S34-K38 WeakPolarHBondContact O-CB 3.42Å; S34-K38 PolarHBondContact O-N 3.19Å; E35-K38 PolarHBondContact O-N 2.82Å; E35-K38 VanDerWaalsContact O-N 3.14Å; K38-K42 PolarHBondContact O-N 3.06Å; K38-W313 HydrophobicContact CG-CZ2 3.85Å; K38-W313 PolarHBondContact NZ-O 3.16Å; K38-W313 VanDerWaalsContact NZ-O 3.08Å; K38-M316 PolarHBondContact NZ-OXT 3.38Å
39	E	96.4	Very high	91.4	Very high	143 Å²	143	63.3 Å²	63.3	67%	0.668	31%	0.306	S	S	*	.	H	α-helix	trans	-71	-48.5	-179.3	-67.4	-172.5	161.8	0	0	111.4	E35 T41 K42	E35-E39 WeakPolarHBondContact O-CB 3.17Å; E35-E39 WeakPolarHBondContact O-CG 3.47Å; E35-E39 PolarHBondContact O-N 3.09Å; E39-T41 VanDerWaalsContact C-N 3.27Å; E39-T41 PolarHBondContact O-N 3.39Å; E39-K42 WeakPolarHBondContact O-CB 3.48Å; E39-K42 PolarHBondContact O-N 3.49Å
40	G	97.4	Very high	93	Very high	34 Å²	34	61 Å²	61	35%	0.351	30%	0.304	S	S	.	.	H	α-helix	trans	-70.1	-19.1	-174.4	0	0	0	0	0	114.7	L36 N224	L36-G40 WeakPolarHBondContact O-CA 3.26Å; L36-G40 PolarHBondContact O-N 2.86Å; G40-N224 PolarHBondContact O-ND2 3.04Å; G40-N224 PolarHBondContact O-OD1 3.38Å
41	T	97.2	Very high	94.2	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.006	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	1.2	175.9	65	0	0	0	0	113.8	L37 E39 E43 A44 H45 A223 F227	L37-T41 WeakPolarHBondContact O-CB 3.25Å; L37-T41 WeakPolarHBondContact O-CG2 3.47Å; L37-T41 PolarHBondContact O-N 2.75Å; L37-T41 PolarHBondContact O-OG1 2.94Å; E39-T41 VanDerWaalsContact C-N 3.27Å; E39-T41 PolarHBondContact O-N 3.39Å; T41-E43 VanDerWaalsContact C-N 3.33Å; T41-E43 PolarHBondContact O-N 3.2Å; T41-A44 PolarHBondContact O-N 3.06Å; T41-H45 WeakPolarHBondContact O-CB 3.29Å; T41-H45 PolarHBondContact O-N 3.45Å; T41-A223 HydrophobicContact CG2-CB 3.61Å; T41-F227 HydrophobicContact CG2-CD2 4.21Å; T41-F227 HydrophobicContact CG2-CE2 4.03Å
42	K	95.9	Very high	94.5	Very high	112 Å²	112	57.5 Å²	57.5	49%	0.487	28%	0.282	S	S	.	.	H	α-helix	trans	-52.4	-48.4	-175.8	-177	-178.4	175.9	-175	0	112.7	K38 E39 A44 H45 D46	K38-K42 PolarHBondContact O-N 3.06Å; E39-K42 WeakPolarHBondContact O-CB 3.48Å; E39-K42 PolarHBondContact O-N 3.49Å; K42-A44 PolarHBondContact O-N 3.33Å; K42-H45 WeakPolarHBondContact O-CB 3.23Å; K42-H45 PolarHBondContact O-N 3.29Å; K42-D46 WeakPolarHBondContact O-CB 3.2Å; K42-D46 VanDerWaalsContact O-CG 3.24Å; K42-D46 PolarHBondContact O-N 3.39Å
43	E	96.8	Very high	94.4	Very high	137 Å²	137	54.7 Å²	54.7	64%	0.64	27%	0.266	S	S	*	.	H	α-helix	trans	-67.4	-36.4	-179.9	-60.3	-171.2	168.7	0	0	112.8	T41 D46 R47	T41-E43 VanDerWaalsContact C-N 3.33Å; T41-E43 PolarHBondContact O-N 3.2Å; E43-D46 PolarHBondContact O-N 3.24Å; E43-R47 WeakPolarHBondContact O-CB 3.49Å; E43-R47 WeakPolarHBondContact O-CG 3.33Å; E43-R47 PolarHBondContact O-N 2.9Å; E43-R47 IonicContact OE2-NH1 3.4Å
44	A	95.1	Very high	94.1	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.008	27%	0.273	C	S	.	.	H	α-helix	trans	-68.7	-39.1	177.9	0	0	0	0	0	111.3	T41 K42 R47 A48 N224 F227	T41-A44 PolarHBondContact O-N 3.06Å; K42-A44 PolarHBondContact O-N 3.33Å; A44-R47 PolarHBondContact O-N 3.14Å; A44-A48 WeakPolarHBondContact O-CB 3.47Å; A44-A48 PolarHBondContact O-N 2.98Å; A44-N224 VanDerWaalsContact CB-OD1 3.28Å; A44-N224 WeakPolarHBondContact CB-OD1 3.47Å; A44-F227 HydrophobicContact CB-CB 3.69Å; A44-F227 HydrophobicContact CB-CD2 4.09Å; A44-F227 HydrophobicContact CB-CG 3.88Å
45	H	92.3	Very high	94	Very high	33 Å²	33	59 Å²	59	15%	0.153	29%	0.286	C	S	.	.	H	α-helix	trans	-59.4	-52.3	170.3	178.1	-84.1	0	0	0	111.3	T41 K42 R47 A48 E49 F227 W313	T41-H45 WeakPolarHBondContact O-CB 3.29Å; T41-H45 PolarHBondContact O-N 3.45Å; K42-H45 WeakPolarHBondContact O-CB 3.23Å; K42-H45 PolarHBondContact O-N 3.29Å; H45-R47 VanDerWaalsContact C-N 3.28Å; H45-R47 PolarHBondContact O-N 3.17Å; H45-A48 PolarHBondContact O-N 2.88Å; H45-A48 VanDerWaalsContact O-N 3.07Å; H45-E49 IonicContact CE1-OE1 3.77Å; H45-E49 PolarHBondContact CE1-OE1 3.35Å; H45-E49 IonicContact CE1-OE2 2.73Å; H45-E49 IonicContact NE2-OE1 2.7Å; H45-E49 PolarHBondContact NE2-OE1 2.83Å; H45-E49 PolarHBondContact O-N 3.34Å; H45-F227 HydrophobicContact CB-CE1 4.03Å; H45-F227 HydrophobicContact CB-CZ 4.08Å; H45-W313 AromaticContact CE1-CZ3 4Å; H45-W313 AromaticContact NE2-CZ3 3.69Å
46	D	92.8	Very high	93.8	Very high	72 Å²	72	57 Å²	57	39%	0.385	28%	0.278	S	S	.	.	H	α-helix	trans	-57.6	-41.1	179.2	-71.8	-12.3	0	0	0	111.5	K42 E43 N50	K42-D46 WeakPolarHBondContact O-CB 3.2Å; K42-D46 VanDerWaalsContact O-CG 3.24Å; K42-D46 PolarHBondContact O-N 3.39Å; E43-D46 PolarHBondContact O-N 3.24Å; D46-N50 WeakPolarHBondContact O-CB 3.5Å; D46-N50 PolarHBondContact O-N 3.17Å; D46-N50 PolarHBondContact O-ND2 3.44Å
47	R	93.8	Very high	93.6	Very high	123 Å²	123	56 Å²	56	46%	0.464	27%	0.273	S	S	.	.	H	α-helix	trans	-65.9	-43.6	174.9	-73.5	-170	-58.9	-91.9	3.1	112.3	E43 A44 H45 N50 T51 M231	E43-R47 WeakPolarHBondContact O-CB 3.49Å; E43-R47 WeakPolarHBondContact O-CG 3.33Å; E43-R47 PolarHBondContact O-N 2.9Å; E43-R47 IonicContact OE2-NH1 3.4Å; A44-R47 PolarHBondContact O-N 3.14Å; H45-R47 VanDerWaalsContact C-N 3.28Å; H45-R47 PolarHBondContact O-N 3.17Å; R47-N50 CarbonylContact O-C 3.4Å; R47-N50 PolarHBondContact O-N 3.33Å; R47-N50 VanDerWaalsContact O-N 3.11Å; R47-T51 PolarHBondContact O-N 3.39Å; R47-M231 HydrophobicContact CB-SD 3.78Å
48	A	89.8	Confident	93.3	Very high	9 Å²	9	60.1 Å²	60.1	7%	0.074	29%	0.294	C	S	.	.	H	α-helix	trans	-61.8	-45.1	-179.5	0	0	0	0	0	112	A44 H45 N50 T51 F227 M231	A44-A48 WeakPolarHBondContact O-CB 3.47Å; A44-A48 PolarHBondContact O-N 2.98Å; H45-A48 PolarHBondContact O-N 2.88Å; H45-A48 VanDerWaalsContact O-N 3.07Å; A48-N50 PolarHBondContact O-N 3.49Å; A48-T51 WeakPolarHBondContact O-CG2 3.35Å; A48-T51 PolarHBondContact O-N 3.44Å; A48-T51 PolarHBondContact O-OG1 3.18Å; A48-F227 HydrophobicContact CB-CD1 4.1Å; A48-M231 HydrophobicContact CB-CG 4.03Å; A48-M231 HydrophobicContact CB-SD 4.41Å
49	E	88.4	Confident	93.3	Very high	106 Å²	106	64.8 Å²	64.8	50%	0.495	32%	0.315	S	S	.	.	H	α-helix	trans	-63.1	-27.2	175.3	-69.5	-165.5	152.1	0	0	112.8	H45 V54	H45-E49 IonicContact CE1-OE1 3.77Å; H45-E49 PolarHBondContact CE1-OE1 3.35Å; H45-E49 IonicContact CE1-OE2 2.73Å; H45-E49 IonicContact NE2-OE1 2.7Å; H45-E49 PolarHBondContact NE2-OE1 2.83Å; H45-E49 PolarHBondContact O-N 3.34Å; E49-V54 WeakPolarHBondContact O-CG1 3.41Å
50	N	90.6	Very high	93.1	Very high	93 Å²	93	58.9 Å²	58.9	50%	0.497	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	4.3	-178.7	-82.7	-73.3	0	0	0	114.9	D46 R47 A48 K55	D46-N50 WeakPolarHBondContact O-CB 3.5Å; D46-N50 PolarHBondContact O-N 3.17Å; D46-N50 PolarHBondContact O-ND2 3.44Å; R47-N50 CarbonylContact O-C 3.4Å; R47-N50 PolarHBondContact O-N 3.33Å; R47-N50 VanDerWaalsContact O-N 3.11Å; A48-N50 PolarHBondContact O-N 3.49Å; N50-K55 VanDerWaalsContact O-CE 3.29Å; N50-K55 WeakPolarHBondContact O-CE 3.29Å; N50-K55 PolarHBondContact O-NZ 3.19Å; N50-K55 VanDerWaalsContact OD1-CE 3.29Å; N50-K55 WeakPolarHBondContact OD1-CE 2.99Å; N50-K55 PolarHBondContact OD1-NZ 3.12Å
51	T	91.2	Very high	92.9	Very high	14 Å²	14	62.3 Å²	62.3	9%	0.086	30%	0.302	C	S	.	.	S	Bend	trans	-63.8	151	172.4	58.3	0	0	0	0	111.7	R47 A48 F53 V54 K55 M231 F234	R47-T51 PolarHBondContact O-N 3.39Å; A48-T51 WeakPolarHBondContact O-CG2 3.35Å; A48-T51 PolarHBondContact O-N 3.44Å; A48-T51 PolarHBondContact O-OG1 3.18Å; T51-F53 PolarHBondContact O-N 3.09Å; T51-V54 PolarHBondContact O-N 2.98Å; T51-V54 WeakPolarHBondContact OG1-CB 3.42Å; T51-V54 WeakPolarHBondContact OG1-CG2 3.44Å; T51-K55 WeakPolarHBondContact O-CG 3.49Å; T51-K55 PolarHBondContact O-N 3.02Å; T51-K55 VanDerWaalsContact O-N 3.07Å; T51-M231 HydrophobicContact CG2-CG 4.21Å; T51-F234 HydrophobicContact CG2-CD2 4.33Å
52	Q	92.1	Very high	92.7	Very high	92 Å²	92	63.1 Å²	63.1	43%	0.43	31%	0.306	S	S	.	.	H	α-helix	trans	-62.5	-44.6	-176.4	-173.5	57.5	39.1	0	0	111.7	V54 K55 D56 D238	Q52-V54 PolarHBondContact O-N 3.43Å; Q52-K55 PolarHBondContact O-N 3.18Å; Q52-D56 PolarHBondContact NE2-OD1 3.02Å; Q52-D56 VanDerWaalsContact NE2-OD1 3.17Å; Q52-D56 PolarHBondContact NE2-OD2 2.77Å; Q52-D56 PolarHBondContact O-N 2.73Å; Q52-D238 WeakPolarHBondContact CG-OD1 3.48Å
53	F	91.8	Very high	92.6	Very high	19 Å²	19	62.2 Å²	62.2	8%	0.083	30%	0.302	C	S	.	.	H	α-helix	trans	-53.1	-49.1	174.9	175.7	-98	0	0	0	112.6	T51 D56 F57 I62 L66 A70 F234 L237 D238	T51-F53 PolarHBondContact O-N 3.09Å; F53-D56 PolarHBondContact O-N 3.42Å; F53-F57 VanDerWaalsContact O-CB 3.3Å; F53-F57 WeakPolarHBondContact O-CB 3.4Å; F53-F57 PolarHBondContact O-N 3.18Å; F53-I62 HydrophobicContact CE2-CD1 3.82Å; F53-I62 HydrophobicContact CZ-CD1 4.44Å; F53-L66 HydrophobicContact CD2-CD2 4.24Å; F53-L66 HydrophobicContact CE2-CD2 4.12Å; F53-L66 HydrophobicContact CE2-CG 4.09Å; F53-A70 HydrophobicContact CZ-CB 3.99Å; F53-F234 HydrophobicContact CB-CB 4.17Å; F53-F234 HydrophobicContact CD1-CB 4.26Å; F53-F234 AromaticContact CD1-CD1 3.51Å; F53-F234 HydrophobicContact CD1-CD1 3.51Å; F53-F234 HydrophobicContact CD1-CE1 4.13Å; F53-F234 HydrophobicContact CD1-CG 4.06Å; F53-F234 AromaticContact CE1-CD1 3.83Å; F53-F234 HydrophobicContact CE1-CD1 3.83Å; F53-F234 HydrophobicContact CE1-CE1 4.11Å; F53-F234 HydrophobicContact CG-CB 4.48Å; F53-F234 HydrophobicContact CG-CD1 4.44Å; F53-L237 HydrophobicContact CD2-CB 3.88Å; F53-L237 HydrophobicContact CD2-CD1 4.49Å; F53-L237 HydrophobicContact CE1-CD1 4.2Å; F53-L237 HydrophobicContact CE2-CB 4Å; F53-L237 HydrophobicContact CE2-CD1 4.05Å; F53-L237 HydrophobicContact CG-CB 4.44Å; F53-L237 HydrophobicContact CZ-CD1 3.9Å; F53-D238 HydrophobicContact CB-CB 4.47Å
54	V	91.2	Very high	92.6	Very high	24 Å²	24	60.5 Å²	60.5	15%	0.145	29%	0.292	C	S	.	.	H	α-helix	trans	-65.7	-43.1	-179.4	173.4	0	0	0	0	111.1	E49 T51 Q52 D56 F57 L58 F234	E49-V54 WeakPolarHBondContact O-CG1 3.41Å; T51-V54 PolarHBondContact O-N 2.98Å; T51-V54 WeakPolarHBondContact OG1-CB 3.42Å; T51-V54 WeakPolarHBondContact OG1-CG2 3.44Å; Q52-V54 PolarHBondContact O-N 3.43Å; V54-D56 VanDerWaalsContact C-N 3.34Å; V54-D56 PolarHBondContact O-N 3.46Å; V54-F57 PolarHBondContact O-N 3.12Å; V54-L58 HydrophobicContact CG1-CD1 3.96Å; V54-L58 HydrophobicContact CG1-CG 4.35Å; V54-L58 WeakPolarHBondContact O-CG 3.29Å; V54-L58 PolarHBondContact O-N 3.34Å; V54-F234 HydrophobicContact CG2-CD2 4.12Å; V54-F234 HydrophobicContact CG2-CE2 4.02Å; V54-F234 HydrophobicContact CG2-CG 4.47Å; V54-F234 HydrophobicContact CG2-CZ 4.28Å
55	K	93.1	Very high	92.6	Very high	76 Å²	76	64.8 Å²	64.8	33%	0.33	31%	0.313	S	S	.	.	H	α-helix	trans	-59.1	-44.5	176.8	-77.1	169.3	170.5	157.4	0	112.2	N50 T51 Q52 K59	N50-K55 VanDerWaalsContact O-CE 3.29Å; N50-K55 WeakPolarHBondContact O-CE 3.29Å; N50-K55 PolarHBondContact O-NZ 3.19Å; N50-K55 VanDerWaalsContact OD1-CE 3.29Å; N50-K55 WeakPolarHBondContact OD1-CE 2.99Å; N50-K55 PolarHBondContact OD1-NZ 3.12Å; T51-K55 WeakPolarHBondContact O-CG 3.49Å; T51-K55 PolarHBondContact O-N 3.02Å; T51-K55 VanDerWaalsContact O-N 3.07Å; Q52-K55 PolarHBondContact O-N 3.18Å; K55-K59 WeakPolarHBondContact O-CD 3.37Å; K55-K59 VanDerWaalsContact O-CG 3.28Å; K55-K59 WeakPolarHBondContact O-CG 3.12Å; K55-K59 PolarHBondContact O-N 3.23Å
56	D	93.8	Very high	92.7	Very high	42 Å²	42	64 Å²	64	23%	0.225	31%	0.309	C	S	.	.	H	α-helix	trans	-72	-39.2	179.6	-74.4	-21.1	0	0	0	111.8	Q52 F53 V54 L58 K59 G60 N61	Q52-D56 PolarHBondContact NE2-OD1 3.02Å; Q52-D56 VanDerWaalsContact NE2-OD1 3.17Å; Q52-D56 PolarHBondContact NE2-OD2 2.77Å; Q52-D56 PolarHBondContact O-N 2.73Å; F53-D56 PolarHBondContact O-N 3.42Å; V54-D56 VanDerWaalsContact C-N 3.34Å; V54-D56 PolarHBondContact O-N 3.46Å; D56-L58 PolarHBondContact O-N 3.42Å; D56-K59 PolarHBondContact O-N 3.19Å; D56-G60 PolarHBondContact O-N 3.05Å; D56-N61 HydrophobicContact CB-CB 4.15Å; D56-N61 WeakPolarHBondContact O-CA 3.39Å; D56-N61 WeakPolarHBondContact O-CB 3.43Å; D56-N61 PolarHBondContact O-N 3.08Å
57	F	92.9	Very high	92.9	Very high	10 Å²	10	60.7 Å²	60.7	4%	0.044	29%	0.292	C	S	.	.	H	α-helix	trans	-56.9	-52.7	173.2	-175.6	-95	0	0	0	111.4	F53 V54 K59 G60 I62 F67 L167 V170 A171	F53-F57 VanDerWaalsContact O-CB 3.3Å; F53-F57 WeakPolarHBondContact O-CB 3.4Å; F53-F57 PolarHBondContact O-N 3.18Å; V54-F57 PolarHBondContact O-N 3.12Å; F57-K59 PolarHBondContact O-N 3.23Å; F57-G60 WeakPolarHBondContact O-CA 3.17Å; F57-G60 PolarHBondContact O-N 3.47Å; F57-I62 HydrophobicContact CD2-CB 4.13Å; F57-I62 HydrophobicContact CD2-CD1 4.4Å; F57-I62 HydrophobicContact CD2-CG1 4.05Å; F57-I62 HydrophobicContact CD2-CG2 4.09Å; F57-I62 HydrophobicContact CE2-CG2 4.29Å; F57-F67 AromaticContact CE2-CD2 3.81Å; F57-F67 HydrophobicContact CE2-CD2 3.81Å; F57-F67 AromaticContact CE2-CE2 3.75Å; F57-F67 HydrophobicContact CE2-CE2 3.75Å; F57-F67 HydrophobicContact CZ-CE2 4.16Å; F57-L167 HydrophobicContact CD1-CD2 3.73Å; F57-L167 HydrophobicContact CE1-CB 3.84Å; F57-L167 HydrophobicContact CE1-CD2 3.45Å; F57-L167 VanDerWaalsContact CE1-CD2 3.45Å; F57-L167 HydrophobicContact CE1-CG 4.19Å; F57-L167 HydrophobicContact CZ-CB 4.39Å; F57-V170 HydrophobicContact CD1-CG1 4.25Å; F57-V170 HydrophobicContact CE1-CB 4.3Å; F57-V170 HydrophobicContact CE1-CG1 4.04Å; F57-V170 HydrophobicContact CZ-CG1 4.4Å; F57-V170 WeakPolarHBondContact O-CG1 3.38Å; F57-A171 HydrophobicContact CE2-CB 4.36Å; F57-A171 HydrophobicContact CZ-CB 4.02Å
58	L	91.9	Very high	93.1	Very high	85 Å²	85	56.2 Å²	56.2	45%	0.445	28%	0.275	S	S	.	.	H	α-helix	trans	-61.4	-30.5	-179.6	-70.6	174.4	0	0	0	113.3	V54 D56 G60 L167	V54-L58 HydrophobicContact CG1-CD1 3.96Å; V54-L58 HydrophobicContact CG1-CG 4.35Å; V54-L58 WeakPolarHBondContact O-CG 3.29Å; V54-L58 PolarHBondContact O-N 3.34Å; D56-L58 PolarHBondContact O-N 3.42Å; L58-G60 PolarHBondContact O-N 3.2Å; L58-L167 HydrophobicContact CD2-CD2 3.76Å
59	K	94.1	Very high	93.4	Very high	135 Å²	135	58.8 Å²	58.8	59%	0.587	29%	0.288	S	S	*	.	H	α-helix	trans	-73.7	-12.4	172.3	-70.4	170	-173.2	170.4	0	113.1	K55 D56 F57	K55-K59 WeakPolarHBondContact O-CD 3.37Å; K55-K59 VanDerWaalsContact O-CG 3.28Å; K55-K59 WeakPolarHBondContact O-CG 3.12Å; K55-K59 PolarHBondContact O-N 3.23Å; D56-K59 PolarHBondContact O-N 3.19Å; F57-K59 PolarHBondContact O-N 3.23Å
60	G	92.7	Very high	93.9	Very high	18 Å²	18	54.4 Å²	54.4	19%	0.186	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.9	14	-173.9	0	0	0	0	0	113.7	D56 F57 L58 I62 A174	D56-G60 PolarHBondContact O-N 3.05Å; F57-G60 WeakPolarHBondContact O-CA 3.17Å; F57-G60 PolarHBondContact O-N 3.47Å; L58-G60 PolarHBondContact O-N 3.2Å; G60-I62 VanDerWaalsContact C-N 3.31Å; G60-I62 PolarHBondContact O-N 2.5Å; G60-A174 WeakPolarHBondContact O-CB 3.47Å
61	N	93.4	Very high	94.2	Very high	107 Å²	107	50.1 Å²	50.1	57%	0.572	25%	0.247	S	C	*	.			trans	-89.3	66.8	179	-64.2	-22.9	0	0	0	109.9	D56	D56-N61 HydrophobicContact CB-CB 4.15Å; D56-N61 WeakPolarHBondContact O-CA 3.39Å; D56-N61 WeakPolarHBondContact O-CB 3.43Å; D56-N61 PolarHBondContact O-N 3.08Å
62	I	93.8	Very high	94.6	Very high	18 Å²	18	49.7 Å²	49.7	9%	0.092	24%	0.244	C	C	.	.			trans	-131	131.5	-178.3	-170.3	71.5	0	0	0	110.9	F53 F57 G60 L66 F67 A174 L175	F53-I62 HydrophobicContact CE2-CD1 3.82Å; F53-I62 HydrophobicContact CZ-CD1 4.44Å; F57-I62 HydrophobicContact CD2-CB 4.13Å; F57-I62 HydrophobicContact CD2-CD1 4.4Å; F57-I62 HydrophobicContact CD2-CG1 4.05Å; F57-I62 HydrophobicContact CD2-CG2 4.09Å; F57-I62 HydrophobicContact CE2-CG2 4.29Å; G60-I62 VanDerWaalsContact C-N 3.31Å; G60-I62 PolarHBondContact O-N 2.5Å; I62-L66 HydrophobicContact CD1-CB 4.06Å; I62-L66 HydrophobicContact CD1-CD2 3.69Å; I62-L66 HydrophobicContact CD1-CG 3.83Å; I62-F67 HydrophobicContact CG1-CB 4.2Å; I62-A174 HydrophobicContact CG2-CB 3.79Å; I62-L175 HydrophobicContact CG2-CD2 4.07Å; I62-L175 HydrophobicContact CG2-CG 4.2Å; I62-L175 WeakPolarHBondContact O-CD2 3.47Å
63	K	93.6	Very high	94.9	Very high	93 Å²	93	45.4 Å²	45.4	40%	0.404	22%	0.224	S	C	.	.			trans	-83.6	146.6	173.3	-67.4	-175.3	177.4	-174.5	0	110	E65 L66 F67 L244 T248	K63-E65 VanDerWaalsContact C-N 3.33Å; K63-E65 PolarHBondContact O-N 3.36Å; K63-L66 HydrophobicContact CB-CB 4.44Å; K63-L66 PolarHBondContact O-N 3.43Å; K63-L66 VanDerWaalsContact O-N 3.09Å; K63-F67 PolarHBondContact O-N 3.08Å; K63-L244 PolarHBondContact NZ-O 3.03Å; K63-L244 VanDerWaalsContact NZ-O 3.12Å; K63-T248 PolarHBondContact NZ-OG1 3.21Å
64	K	95.7	Very high	95.2	Very high	100 Å²	100	45.6 Å²	45.6	44%	0.435	23%	0.226	S	C	.	.	H	α-helix	trans	-54.8	-46.5	178.2	-173.7	-179.9	178	-176.8	0	112.2	L66 F67 K68 F116 L175	K64-L66 VanDerWaalsContact C-N 3.28Å; K64-L66 PolarHBondContact O-N 3.34Å; K64-F67 WeakPolarHBondContact O-CB 3.32Å; K64-F67 PolarHBondContact O-N 3.29Å; K64-K68 HydrophobicContact CG-CD 4.41Å; K64-K68 WeakPolarHBondContact O-CG 3.49Å; K64-K68 PolarHBondContact O-N 2.87Å; K64-F116 HydrophobicContact CG-CD1 4.5Å; K64-F116 HydrophobicContact CG-CE1 4.34Å; K64-L175 HydrophobicContact CB-CD2 4.18Å
65	E	94.9	Very high	95.6	Very high	92 Å²	92	45.8 Å²	45.8	43%	0.43	22%	0.224	S	C	.	.	H	α-helix	trans	-62.7	-34.5	179.1	-62.6	-48.4	124.3	0	0	113	K63 K68 L69 L244	K63-E65 VanDerWaalsContact C-N 3.33Å; K63-E65 PolarHBondContact O-N 3.36Å; E65-K68 WeakPolarHBondContact O-CB 3.32Å; E65-K68 PolarHBondContact O-N 3.4Å; E65-K68 IonicContact OE1-NZ 2.8Å; E65-K68 IonicContact OE2-NZ 3.35Å; E65-K68 PolarHBondContact OE2-NZ 2.86Å; E65-L69 WeakPolarHBondContact O-CG 3.24Å; E65-L69 PolarHBondContact O-N 3Å; E65-L69 VanDerWaalsContact O-N 3.17Å; E65-L244 HydrophobicContact CB-CD1 4.1Å
66	L	95.5	Very high	95.9	Very high	16 Å²	16	44.5 Å²	44.5	8%	0.084	22%	0.219	C	C	.	.	H	α-helix	trans	-72.8	-37.9	176.2	-174.7	56.9	0	0	0	111.9	F53 I62 K63 K64 K68 L69 A70 L237 A240	F53-L66 HydrophobicContact CD2-CD2 4.24Å; F53-L66 HydrophobicContact CE2-CD2 4.12Å; F53-L66 HydrophobicContact CE2-CG 4.09Å; I62-L66 HydrophobicContact CD1-CB 4.06Å; I62-L66 HydrophobicContact CD1-CD2 3.69Å; I62-L66 HydrophobicContact CD1-CG 3.83Å; K63-L66 HydrophobicContact CB-CB 4.44Å; K63-L66 PolarHBondContact O-N 3.43Å; K63-L66 VanDerWaalsContact O-N 3.09Å; K64-L66 VanDerWaalsContact C-N 3.28Å; K64-L66 PolarHBondContact O-N 3.34Å; L66-K68 VanDerWaalsContact C-N 3.31Å; L66-K68 PolarHBondContact O-N 2.8Å; L66-L69 HydrophobicContact CD1-CD1 4.27Å; L66-L69 PolarHBondContact O-N 3.4Å; L66-A70 PolarHBondContact O-N 2.95Å; L66-L237 HydrophobicContact CD1-CB 3.97Å; L66-L237 HydrophobicContact CD1-CD2 3.95Å; L66-L237 WeakPolarHBondContact CD1-O 3.21Å; L66-A240 HydrophobicContact CD1-CB 4.4Å
67	F	96.9	Very high	96.1	Very high	3 Å²	3	42.6 Å²	42.6	1%	0.013	21%	0.209	C	C	.	.	H	α-helix	trans	-62.2	-40.2	172.9	-172.1	-103.6	0	0	0	111.6	F57 I62 K63 K64 L69 A70 T71 F116 A171 L175 T184 Y187	F57-F67 AromaticContact CE2-CD2 3.81Å; F57-F67 HydrophobicContact CE2-CD2 3.81Å; F57-F67 AromaticContact CE2-CE2 3.75Å; F57-F67 HydrophobicContact CE2-CE2 3.75Å; F57-F67 HydrophobicContact CZ-CE2 4.16Å; I62-F67 HydrophobicContact CG1-CB 4.2Å; K63-F67 PolarHBondContact O-N 3.08Å; K64-F67 WeakPolarHBondContact O-CB 3.32Å; K64-F67 PolarHBondContact O-N 3.29Å; F67-L69 PolarHBondContact O-N 2.79Å; F67-A70 WeakPolarHBondContact O-CB 3.32Å; F67-A70 PolarHBondContact O-N 2.92Å; F67-A70 VanDerWaalsContact O-N 3.16Å; F67-T71 PolarHBondContact O-N 3.41Å; F67-T71 PolarHBondContact O-OG1 2.86Å; F67-T71 VanDerWaalsContact O-OG1 3.05Å; F67-F116 HydrophobicContact CD1-CE1 4.19Å; F67-F116 AromaticContact CD1-CE2 3.77Å; F67-F116 HydrophobicContact CD1-CE2 3.77Å; F67-F116 AromaticContact CD1-CZ 3.47Å; F67-F116 HydrophobicContact CD1-CZ 3.47Å; F67-F116 VanDerWaalsContact CD1-CZ 3.47Å; F67-F116 AromaticContact CE1-CE2 3.56Å; F67-F116 HydrophobicContact CE1-CE2 3.56Å; F67-F116 AromaticContact CE1-CZ 3.45Å; F67-F116 HydrophobicContact CE1-CZ 3.45Å; F67-F116 VanDerWaalsContact CE1-CZ 3.45Å; F67-A171 HydrophobicContact CE2-CB 3.9Å; F67-A171 HydrophobicContact CZ-CB 3.91Å; F67-L175 HydrophobicContact CB-CD1 3.55Å; F67-L175 HydrophobicContact CD1-CD1 3.51Å; F67-L175 HydrophobicContact CD2-CD1 3.96Å; F67-L175 HydrophobicContact CE1-CD1 4.14Å; F67-L175 HydrophobicContact CG-CD1 3.39Å; F67-T184 HydrophobicContact CZ-CG2 4.38Å; F67-Y187 HydrophobicContact CE2-CE2 4.43Å; F67-Y187 HydrophobicContact CZ-CE2 4.04Å
68	K	97.4	Very high	96.4	Very high	28 Å²	28	42.1 Å²	42.1	12%	0.122	21%	0.207	C	C	.	.	H	α-helix	trans	-56	-47.5	172.9	-74.4	175.9	57.6	-162.2	0	112.1	K64 E65 L66 A70 T71 T72 F116 F117	K64-K68 HydrophobicContact CG-CD 4.41Å; K64-K68 WeakPolarHBondContact O-CG 3.49Å; K64-K68 PolarHBondContact O-N 2.87Å; E65-K68 WeakPolarHBondContact O-CB 3.32Å; E65-K68 PolarHBondContact O-N 3.4Å; E65-K68 IonicContact OE1-NZ 2.8Å; E65-K68 IonicContact OE2-NZ 3.35Å; E65-K68 PolarHBondContact OE2-NZ 2.86Å; L66-K68 VanDerWaalsContact C-N 3.31Å; L66-K68 PolarHBondContact O-N 2.8Å; K68-A70 VanDerWaalsContact C-N 3.32Å; K68-A70 PolarHBondContact O-N 3.26Å; K68-T71 PolarHBondContact O-N 2.95Å; K68-T72 PolarHBondContact O-N 3.49Å; K68-T72 PolarHBondContact O-OG1 2.86Å; K68-F116 HydrophobicContact CD-CB 4.11Å; K68-F116 HydrophobicContact CD-CD1 4.18Å; K68-F116 HydrophobicContact CD-CG 4.39Å; K68-F116 HydrophobicContact CG-CB 3.76Å; K68-F116 HydrophobicContact CG-CD1 3.7Å; K68-F116 HydrophobicContact CG-CD2 4.48Å; K68-F116 HydrophobicContact CG-CE1 4.5Å; K68-F116 HydrophobicContact CG-CG 3.72Å; K68-F117 HydrophobicContact CB-CE1 4.41Å; K68-F117 HydrophobicContact CB-CE2 4.02Å; K68-F117 HydrophobicContact CB-CZ 3.65Å; K68-F117 HydrophobicContact CD-CZ 4.46Å; K68-F117 HydrophobicContact CG-CE2 4.31Å; K68-F117 HydrophobicContact CG-CZ 4.23Å
69	L	97.1	Very high	96.7	Very high	64 Å²	64	38.8 Å²	38.8	34%	0.335	19%	0.19	S	C	.	.	H	α-helix	trans	-61	-40.4	176.2	-68.5	173.8	0	0	0	112.4	E65 L66 F67 T72 A73 L237 A240	E65-L69 WeakPolarHBondContact O-CG 3.24Å; E65-L69 PolarHBondContact O-N 3Å; E65-L69 VanDerWaalsContact O-N 3.17Å; L66-L69 HydrophobicContact CD1-CD1 4.27Å; L66-L69 PolarHBondContact O-N 3.4Å; F67-L69 PolarHBondContact O-N 2.79Å; L69-T72 PolarHBondContact O-N 2.74Å; L69-A73 PolarHBondContact O-N 2.96Å; L69-L237 HydrophobicContact CB-CD2 3.53Å; L69-A240 HydrophobicContact CD1-CB 3.92Å
70	A	97.3	Very high	96.9	Very high	13 Å²	13	32.5 Å²	32.5	11%	0.107	16%	0.164	C	C	.	.	H	α-helix	trans	-63.6	-44.3	175.5	0	0	0	0	0	111.5	F53 L66 F67 K68 T72 A73 L74 L237	F53-A70 HydrophobicContact CZ-CB 3.99Å; L66-A70 PolarHBondContact O-N 2.95Å; F67-A70 WeakPolarHBondContact O-CB 3.32Å; F67-A70 PolarHBondContact O-N 2.92Å; F67-A70 VanDerWaalsContact O-N 3.16Å; K68-A70 VanDerWaalsContact C-N 3.32Å; K68-A70 PolarHBondContact O-N 3.26Å; A70-T72 VanDerWaalsContact C-N 3.34Å; A70-T72 PolarHBondContact O-N 3.45Å; A70-A73 PolarHBondContact O-N 3.43Å; A70-L74 WeakPolarHBondContact O-CG 3.21Å; A70-L74 PolarHBondContact O-N 3.43Å; A70-L237 HydrophobicContact CB-CD1 3.75Å; A70-L237 HydrophobicContact CB-CD2 4.32Å
71	T	98.3	Very high	97.2	Very high	4 Å²	4	31.6 Å²	31.6	3%	0.025	16%	0.155	C	C	.	.	H	α-helix	trans	-61.3	-41.2	174.9	-54.6	0	0	0	0	111.6	F67 K68 A73 L74 Y75 L109 D112 M113	F67-T71 PolarHBondContact O-N 3.41Å; F67-T71 PolarHBondContact O-OG1 2.86Å; F67-T71 VanDerWaalsContact O-OG1 3.05Å; K68-T71 PolarHBondContact O-N 2.95Å; T71-A73 PolarHBondContact O-N 3.39Å; T71-L74 PolarHBondContact O-N 2.95Å; T71-Y75 PolarHBondContact O-N 2.94Å; T71-L109 HydrophobicContact CG2-CD2 4.14Å; T71-D112 HydrophobicContact CG2-CB 4.01Å; T71-M113 HydrophobicContact CG2-CG 4.44Å; T71-M113 HydrophobicContact CG2-SD 3.88Å
72	T	98.6	Very high	97.5	Very high	4 Å²	4	27.1 Å²	27.1	3%	0.025	13%	0.13	C	C	.	.	H	α-helix	trans	-60.2	-46	173.9	-55.2	0	0	0	0	111.7	K68 L69 A70 L74 Y75 F76 M113 F117 V125 P128	K68-T72 PolarHBondContact O-N 3.49Å; K68-T72 PolarHBondContact O-OG1 2.86Å; L69-T72 PolarHBondContact O-N 2.74Å; A70-T72 VanDerWaalsContact C-N 3.34Å; A70-T72 PolarHBondContact O-N 3.45Å; T72-L74 VanDerWaalsContact C-N 3.31Å; T72-L74 PolarHBondContact O-N 3.47Å; T72-Y75 PolarHBondContact O-N 3.44Å; T72-F76 HydrophobicContact CG2-CD2 3.85Å; T72-F76 HydrophobicContact CG2-CE2 3.6Å; T72-F76 VanDerWaalsContact O-CD2 3.25Å; T72-F76 WeakPolarHBondContact O-CD2 3.38Å; T72-F76 PolarHBondContact O-N 3.18Å; T72-M113 HydrophobicContact CG2-CE 4.19Å; T72-F117 WeakPolarHBondContact OG1-CZ 3.42Å; T72-V125 HydrophobicContact CG2-CB 4.14Å; T72-P128 HydrophobicContact CG2-CG 4.46Å
73	A	98.6	Very high	97.8	Very high	3 Å²	3	30.9 Å²	30.9	3%	0.025	15%	0.148	C	C	.	.	H	α-helix	trans	-60.6	-41.1	177.3	0	0	0	0	0	112.1	L69 A70 T71 T77 P128 A131 I233	L69-A73 PolarHBondContact O-N 2.96Å; A70-A73 PolarHBondContact O-N 3.43Å; T71-A73 PolarHBondContact O-N 3.39Å; A73-T77 WeakPolarHBondContact O-CB 3.42Å; A73-T77 PolarHBondContact O-N 2.85Å; A73-T77 VanDerWaalsContact O-N 3.09Å; A73-T77 PolarHBondContact O-OG1 3.18Å; A73-P128 HydrophobicContact CB-CG 4.29Å; A73-A131 HydrophobicContact CB-CB 3.92Å; A73-I233 HydrophobicContact CB-CG2 3.87Å
74	L	98.6	Very high	98	Very high	23 Å²	23	26.5 Å²	26.5	12%	0.12	13%	0.128	C	C	.	.	H	α-helix	trans	-63	-49	173.9	-67.9	170.8	0	0	0	111.1	A70 T71 T72 F76 T77 Y78 L109 F186	A70-L74 WeakPolarHBondContact O-CG 3.21Å; A70-L74 PolarHBondContact O-N 3.43Å; T71-L74 PolarHBondContact O-N 2.95Å; T72-L74 VanDerWaalsContact C-N 3.31Å; T72-L74 PolarHBondContact O-N 3.47Å; L74-F76 VanDerWaalsContact C-N 3.33Å; L74-F76 PolarHBondContact O-N 3.3Å; L74-T77 PolarHBondContact O-N 3.1Å; L74-T77 VanDerWaalsContact O-N 3.13Å; L74-Y78 HydrophobicContact CB-CD2 4.41Å; L74-Y78 HydrophobicContact CD2-CD2 4.37Å; L74-Y78 HydrophobicContact CD2-CE2 3.81Å; L74-Y78 VanDerWaalsContact O-CD2 3.32Å; L74-Y78 WeakPolarHBondContact O-CD2 3.38Å; L74-Y78 PolarHBondContact O-N 2.74Å; L74-L109 HydrophobicContact CB-CD1 4.19Å; L74-L109 HydrophobicContact CB-CD2 3.75Å; L74-L109 HydrophobicContact CD1-CD2 4.5Å; L74-F186 HydrophobicContact CD1-CD1 4.1Å; L74-F186 HydrophobicContact CD1-CE1 3.89Å; L74-F186 HydrophobicContact CD1-CE2 4.43Å; L74-F186 HydrophobicContact CD1-CG 4.49Å; L74-F186 HydrophobicContact CD1-CZ 4.08Å; L74-F186 HydrophobicContact CD2-CZ 4.13Å
75	Y	98.9	Very high	98.2	Very high	27 Å²	27	21.7 Å²	21.7	11%	0.106	11%	0.108	C	C	.	.	H	α-helix	trans	-50.7	-51.8	179.8	170.7	-98.8	0	0	0	112.1	T71 T72 S79 K106 L109 M113 W121	T71-Y75 PolarHBondContact O-N 2.94Å; T72-Y75 PolarHBondContact O-N 3.44Å; Y75-S79 WeakPolarHBondContact CE2-OG 3.32Å; Y75-S79 WeakPolarHBondContact O-CB 3.45Å; Y75-S79 PolarHBondContact O-N 3.13Å; Y75-S79 PolarHBondContact O-OG 3.5Å; Y75-K106 HydrophobicContact CE2-CG 4.37Å; Y75-L109 HydrophobicContact CD2-CB 4.15Å; Y75-M113 HydrophobicContact CD2-CG 4.32Å; Y75-M113 HydrophobicContact CG-CG 4.18Å; Y75-W121 HydrophobicContact CD1-CH2 4.09Å; Y75-W121 AromaticContact CD1-CZ3 3.95Å; Y75-W121 HydrophobicContact CD1-CZ3 3.95Å; Y75-W121 HydrophobicContact CD2-CH2 4.11Å; Y75-W121 AromaticContact CE1-CH2 3.57Å; Y75-W121 HydrophobicContact CE1-CH2 3.57Å; Y75-W121 AromaticContact CE1-CZ3 3.73Å; Y75-W121 HydrophobicContact CE1-CZ3 3.73Å; Y75-W121 AromaticContact CE2-CH2 3.6Å; Y75-W121 HydrophobicContact CE2-CH2 3.6Å; Y75-W121 HydrophobicContact CE2-CZ2 4.33Å; Y75-W121 HydrophobicContact CE2-CZ3 4.39Å; Y75-W121 HydrophobicContact CG-CH2 4.35Å; Y75-W121 HydrophobicContact CG-CZ3 4.38Å; Y75-W121 AromaticContact CZ-CH2 3.33Å
76	F	98.9	Very high	98.3	Very high	50 Å²	50	21 Å²	21	22%	0.219	10%	0.104	C	C	.	.	H	α-helix	trans	-67.8	-41.2	179.8	-74.2	-71	0	0	0	112.5	T72 L74 S79 A80 V125 C127 V135	T72-F76 HydrophobicContact CG2-CD2 3.85Å; T72-F76 HydrophobicContact CG2-CE2 3.6Å; T72-F76 VanDerWaalsContact O-CD2 3.25Å; T72-F76 WeakPolarHBondContact O-CD2 3.38Å; T72-F76 PolarHBondContact O-N 3.18Å; L74-F76 VanDerWaalsContact C-N 3.33Å; L74-F76 PolarHBondContact O-N 3.3Å; F76-S79 PolarHBondContact O-N 3.28Å; F76-A80 PolarHBondContact O-N 3.05Å; F76-A80 VanDerWaalsContact O-N 3.1Å; F76-V125 HydrophobicContact CE2-CG2 4.3Å; F76-V125 HydrophobicContact CZ-CG2 4.29Å; F76-C127 HydrophobicContact CB-CB 4.34Å; F76-C127 HydrophobicContact CD1-CB 3.99Å; F76-C127 HydrophobicContact CD2-CB 3.64Å; F76-C127 HydrophobicContact CE1-CB 4.18Å; F76-C127 VanDerWaalsContact CE2-CA 3.47Å; F76-C127 HydrophobicContact CE2-CB 3.85Å; F76-C127 HydrophobicContact CG-CB 3.72Å; F76-C127 HydrophobicContact CZ-CB 4.12Å; F76-V135 HydrophobicContact CB-CG2 4.11Å; F76-V135 WeakPolarHBondContact O-CG2 3.39Å
77	T	98.9	Very high	98.5	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.012	12%	0.123	C	C	.	.	H	α-helix	trans	-61.4	-49.5	179.3	-59.7	0	0	0	0	111.8	A73 L74 A80 L81 Y134 I138	A73-T77 WeakPolarHBondContact O-CB 3.42Å; A73-T77 PolarHBondContact O-N 2.85Å; A73-T77 VanDerWaalsContact O-N 3.09Å; A73-T77 PolarHBondContact O-OG1 3.18Å; L74-T77 PolarHBondContact O-N 3.1Å; L74-T77 VanDerWaalsContact O-N 3.13Å; T77-A80 PolarHBondContact O-N 3.38Å; T77-L81 WeakPolarHBondContact O-CB 3.32Å; T77-L81 PolarHBondContact O-N 3Å; T77-Y134 HydrophobicContact CG2-CD1 3.5Å; T77-Y134 VanDerWaalsContact CG2-CD1 3.5Å; T77-Y134 HydrophobicContact CG2-CE1 3.45Å; T77-Y134 VanDerWaalsContact CG2-CE1 3.45Å; T77-Y134 HydrophobicContact CG2-CG 4.49Å; T77-I138 HydrophobicContact CG2-CD1 3.92Å
78	Y	98.9	Very high	98.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-72.5	-33.3	180	-79.4	-97.5	0	0	0	112.1	L74 A80 L81 E82 R105 L109 R156 Y157 D160 F186	L74-Y78 HydrophobicContact CB-CD2 4.41Å; L74-Y78 HydrophobicContact CD2-CD2 4.37Å; L74-Y78 HydrophobicContact CD2-CE2 3.81Å; L74-Y78 VanDerWaalsContact O-CD2 3.32Å; L74-Y78 WeakPolarHBondContact O-CD2 3.38Å; L74-Y78 PolarHBondContact O-N 2.74Å; Y78-A80 VanDerWaalsContact C-N 3.31Å; Y78-A80 PolarHBondContact O-N 2.98Å; Y78-L81 PolarHBondContact O-N 3.24Å; Y78-E82 WeakPolarHBondContact CD1-OE1 3.28Å; Y78-E82 VanDerWaalsContact O-CB 3.24Å; Y78-E82 WeakPolarHBondContact O-CB 3.5Å; Y78-E82 VanDerWaalsContact O-CG 3.25Å; Y78-E82 WeakPolarHBondContact O-CG 3.31Å; Y78-E82 PolarHBondContact O-N 3.2Å; Y78-R105 HydrophobicContact CD1-CB 3.56Å; Y78-R105 HydrophobicContact CD1-CG 3.64Å; Y78-R105 HydrophobicContact CE1-CB 3.97Å; Y78-R105 HydrophobicContact CE1-CG 3.5Å; Y78-R105 HydrophobicContact CG-CB 3.97Å; Y78-R105 HydrophobicContact CG-CG 4.42Å; Y78-L109 HydrophobicContact CD2-CD1 3.93Å; Y78-L109 HydrophobicContact CG-CD1 3.94Å; Y78-R156 HydrophobicContact CE1-CB 4.28Å; Y78-R156 VanDerWaalsContact OH-CZ 3.24Å; Y78-R156 PolarHBondContact OH-NE 3.25Å; Y78-R156 PolarHBondContact OH-NH2 2.86Å; Y78-Y157 AromaticContact CD1-CE1 3.87Å; Y78-Y157 HydrophobicContact CD1-CE1 3.87Å; Y78-Y157 AromaticContact CE1-CD1 3.99Å; Y78-Y157 HydrophobicContact CE1-CD1 3.99Å; Y78-Y157 AromaticContact CE1-CE1 3.5Å; Y78-Y157 HydrophobicContact CE1-CE1 3.5Å; Y78-Y157 VanDerWaalsContact CE1-CE1 3.5Å; Y78-D160 PolarHBondContact OH-OD1 3.29Å; Y78-D160 VanDerWaalsContact OH-OD1 3.08Å; Y78-D160 PolarHBondContact OH-OD2 3.49Å; Y78-F186 HydrophobicContact CD2-CE2 4.19Å; Y78-F186 HydrophobicContact CE1-CE2 4.23Å; Y78-F186 AromaticContact CE2-CE2 3.67Å; Y78-F186 HydrophobicContact CE2-CE2 3.67Å; Y78-F186 HydrophobicContact CE2-CZ 4.04Å; Y78-F186 AromaticContact CZ-CE2 3.66Å; Y78-F186 AromaticContact CZ-CZ 3.98Å
79	S	98.9	Very high	98.6	Very high	14 Å²	14	28.9 Å²	28.9	10%	0.098	14%	0.135	C	C	.	.	H	α-helix	trans	-58.7	-45.2	173.6	-67.1	0	0	0	0	111.8	Y75 F76 E83	Y75-S79 WeakPolarHBondContact CE2-OG 3.32Å; Y75-S79 WeakPolarHBondContact O-CB 3.45Å; Y75-S79 PolarHBondContact O-N 3.13Å; Y75-S79 PolarHBondContact O-OG 3.5Å; F76-S79 PolarHBondContact O-N 3.28Å; S79-E83 WeakPolarHBondContact O-CB 3.13Å; S79-E83 PolarHBondContact O-N 2.99Å; S79-E83 VanDerWaalsContact O-N 3.08Å
80	A	98.9	Very high	98.7	Very high	3 Å²	3	32.4 Å²	32.4	3%	0.025	15%	0.154	C	C	.	.	H	α-helix	trans	-68.3	-43.9	176.4	0	0	0	0	0	112.1	F76 T77 Y78 E82 E83 E84 V135 I138	F76-A80 PolarHBondContact O-N 3.05Å; F76-A80 VanDerWaalsContact O-N 3.1Å; T77-A80 PolarHBondContact O-N 3.38Å; Y78-A80 VanDerWaalsContact C-N 3.31Å; Y78-A80 PolarHBondContact O-N 2.98Å; A80-E82 PolarHBondContact O-N 3.37Å; A80-E83 PolarHBondContact O-N 2.73Å; A80-E84 WeakPolarHBondContact O-CG 3.49Å; A80-E84 PolarHBondContact O-N 3.24Å; A80-V135 HydrophobicContact CB-CB 4.23Å; A80-V135 HydrophobicContact CB-CG1 3.78Å; A80-V135 HydrophobicContact CB-CG2 4.05Å; A80-I138 HydrophobicContact CB-CB 4.43Å; A80-I138 HydrophobicContact CB-CG2 4.05Å
81	L	98.9	Very high	98.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-60.3	-47.7	179.8	-178.1	59	0	0	0	111.1	T77 Y78 E84 M85 I138 L149 H152 R156 Y157	T77-L81 WeakPolarHBondContact O-CB 3.32Å; T77-L81 PolarHBondContact O-N 3Å; Y78-L81 PolarHBondContact O-N 3.24Å; L81-E84 PolarHBondContact O-N 2.98Å; L81-M85 HydrophobicContact CD1-CG 4.42Å; L81-M85 HydrophobicContact CD1-SD 4.34Å; L81-M85 HydrophobicContact CG-CG 4.48Å; L81-M85 HydrophobicContact CG-SD 3.92Å; L81-M85 WeakPolarHBondContact O-CG 3.31Å; L81-M85 PolarHBondContact O-N 2.88Å; L81-I138 HydrophobicContact CB-CD1 4.39Å; L81-I138 HydrophobicContact CB-CG2 4.24Å; L81-I138 HydrophobicContact CD1-CG2 4.32Å; L81-L149 HydrophobicContact CD1-CD1 3.95Å; L81-H152 HydrophobicContact CD1-CB 3.79Å; L81-R156 HydrophobicContact CD2-CB 4.27Å; L81-R156 HydrophobicContact CD2-CG 4.26Å; L81-Y157 HydrophobicContact CD2-CE2 3.94Å
82	E	98.9	Very high	98.6	Very high	12 Å²	12	39.5 Å²	39.5	6%	0.056	19%	0.194	C	C	.	.	H	α-helix	trans	-73	-31.1	-176.4	-68.9	169	-163.7	0	0	112.1	Y78 A80 E86 H104 R105 K106 Y157	Y78-E82 WeakPolarHBondContact CD1-OE1 3.28Å; Y78-E82 VanDerWaalsContact O-CB 3.24Å; Y78-E82 WeakPolarHBondContact O-CB 3.5Å; Y78-E82 VanDerWaalsContact O-CG 3.25Å; Y78-E82 WeakPolarHBondContact O-CG 3.31Å; Y78-E82 PolarHBondContact O-N 3.2Å; A80-E82 PolarHBondContact O-N 3.37Å; E82-E86 WeakPolarHBondContact O-CB 3.47Å; E82-E86 PolarHBondContact O-N 3.16Å; E82-H104 HydrophobicContact CG-CB 4.29Å; E82-H104 WeakPolarHBondContact OE1-CA 3.34Å; E82-H104 WeakPolarHBondContact OE2-CB 3.47Å; E82-H104 IonicContact OE2-CG 3.43Å; E82-H104 IonicContact OE2-ND1 2.96Å; E82-R105 PolarHBondContact OE1-N 2.99Å; E82-R105 PolarHBondContact OE2-N 3.41Å; E82-K106 PolarHBondContact OE1-N 2.7Å; E82-K106 WeakPolarHBondContact OE2-CB 3.49Å; E82-K106 PolarHBondContact OE2-N 2.5Å; E82-Y157 WeakPolarHBondContact CG-OH 3.45Å; E82-Y157 PolarHBondContact OE1-OH 3.09Å
83	E	98.9	Very high	98.4	Very high	98 Å²	98	39.9 Å²	39.9	46%	0.458	20%	0.197	S	C	.	.	H	α-helix	trans	-61.7	-45.7	168.9	-176.4	-174.9	157.3	0	0	111.4	S79 A80 E86 R87 H139	S79-E83 WeakPolarHBondContact O-CB 3.13Å; S79-E83 PolarHBondContact O-N 2.99Å; S79-E83 VanDerWaalsContact O-N 3.08Å; A80-E83 PolarHBondContact O-N 2.73Å; E83-E86 WeakPolarHBondContact O-CB 3.36Å; E83-E86 PolarHBondContact O-N 2.99Å; E83-R87 PolarHBondContact O-N 2.87Å; E83-R87 IonicContact OE1-NH2 3.82Å; E83-R87 PolarHBondContact OE1-NH2 3.32Å; E83-H139 IonicContact OE2-CE1 3.66Å
84	E	98.9	Very high	98.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-74.2	-28.7	-179.7	-66.7	-55	148.2	0	0	112.8	A80 L81 R87 N88 I138 H139 G142 Q143 L149	A80-E84 WeakPolarHBondContact O-CG 3.49Å; A80-E84 PolarHBondContact O-N 3.24Å; L81-E84 PolarHBondContact O-N 2.98Å; E84-R87 IonicContact OE1-CZ 3.09Å; E84-R87 IonicContact OE1-NE 2.77Å; E84-R87 PolarHBondContact OE1-NE 3.35Å; E84-R87 IonicContact OE1-NH2 3.45Å; E84-R87 PolarHBondContact OE1-NH2 3.33Å; E84-R87 WeakPolarHBondContact OE2-CD 3.36Å; E84-R87 IonicContact OE2-CZ 3.85Å; E84-R87 IonicContact OE2-NE 2.77Å; E84-R87 PolarHBondContact OE2-NE 3.04Å; E84-R87 IonicContact OE2-NH2 3.55Å; E84-N88 WeakPolarHBondContact O-CB 3.23Å; E84-N88 PolarHBondContact O-N 3.4Å; E84-N88 VanDerWaalsContact O-N 3.13Å; E84-N88 PolarHBondContact O-ND2 3.47Å; E84-I138 HydrophobicContact CB-CG2 4.39Å; E84-I138 HydrophobicContact CG-CG2 4.14Å; E84-H139 IonicContact OE1-CE1 3.69Å; E84-H139 IonicContact OE1-CG 3.71Å; E84-H139 IonicContact OE1-ND1 2.74Å; E84-H139 PolarHBondContact OE1-ND1 2.88Å; E84-G142 VanDerWaalsContact OE2-C 3.28Å; E84-G142 VanDerWaalsContact OE2-CA 3.29Å; E84-G142 WeakPolarHBondContact OE2-CA 3.23Å; E84-Q143 PolarHBondContact OE1-NE2 3.36Å; E84-L149 HydrophobicContact CB-CD1 4.25Å
85	M	98.8	Very high	98.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-65.8	-42.7	168.2	-70.3	172.5	64.1	0	0	111.4	L81 N88 K89 F94 L149 Y157	L81-M85 HydrophobicContact CD1-CG 4.42Å; L81-M85 HydrophobicContact CD1-SD 4.34Å; L81-M85 HydrophobicContact CG-CG 4.48Å; L81-M85 HydrophobicContact CG-SD 3.92Å; L81-M85 WeakPolarHBondContact O-CG 3.31Å; L81-M85 PolarHBondContact O-N 2.88Å; M85-N88 CarbonylContact O-C 3.51Å; M85-N88 PolarHBondContact O-N 3.36Å; M85-K89 WeakPolarHBondContact O-CA 3.19Å; M85-K89 PolarHBondContact O-N 3.05Å; M85-F94 HydrophobicContact CB-CE1 3.81Å; M85-F94 HydrophobicContact CB-CZ 4.05Å; M85-F94 HydrophobicContact CE-CE1 4.08Å; M85-F94 HydrophobicContact CE-CZ 3.61Å; M85-F94 HydrophobicContact CG-CE1 3.74Å; M85-F94 HydrophobicContact CG-CE2 4.28Å; M85-F94 HydrophobicContact CG-CZ 3.43Å; M85-F94 VanDerWaalsContact CG-CZ 3.43Å; M85-F94 HydrophobicContact SD-CZ 4.06Å; M85-L149 HydrophobicContact CG-CD2 4.15Å; M85-Y157 HydrophobicContact CE-CE2 3.87Å; M85-Y157 HydrophobicContact SD-CE2 3.65Å
86	E	98.8	Very high	98.3	Very high	77 Å²	77	41.3 Å²	41.3	36%	0.36	21%	0.214	S	C	.	.	H	α-helix	trans	-62	-43.6	175.2	-174.2	61.1	-151	0	0	111.4	E82 E83 N88 K89 Y98	E82-E86 WeakPolarHBondContact O-CB 3.47Å; E82-E86 PolarHBondContact O-N 3.16Å; E83-E86 WeakPolarHBondContact O-CB 3.36Å; E83-E86 PolarHBondContact O-N 2.99Å; E86-N88 PolarHBondContact O-N 2.9Å; E86-K89 WeakPolarHBondContact O-CG 3.36Å; E86-K89 PolarHBondContact O-N 3.43Å; E86-K89 WeakPolarHBondContact OE1-CD 3.44Å; E86-K89 WeakPolarHBondContact OE1-CE 3.24Å; E86-K89 IonicContact OE1-NZ 2.86Å; E86-K89 PolarHBondContact OE1-NZ 3.47Å; E86-Y98 PolarHBondContact OE2-OH 3.31Å
87	R	98.8	Very high	98.3	Very high	125 Å²	125	38.9 Å²	38.9	47%	0.472	20%	0.204	S	C	.	.	H	α-helix	trans	-56.9	-38.9	175.1	-173.3	-169.4	-51.9	-67.2	-6	112	E83 E84	E83-R87 PolarHBondContact O-N 2.87Å; E83-R87 IonicContact OE1-NH2 3.82Å; E83-R87 PolarHBondContact OE1-NH2 3.32Å; E84-R87 IonicContact OE1-CZ 3.09Å; E84-R87 IonicContact OE1-NE 2.77Å; E84-R87 PolarHBondContact OE1-NE 3.35Å; E84-R87 IonicContact OE1-NH2 3.45Å; E84-R87 PolarHBondContact OE1-NH2 3.33Å; E84-R87 WeakPolarHBondContact OE2-CD 3.36Å; E84-R87 IonicContact OE2-CZ 3.85Å; E84-R87 IonicContact OE2-NE 2.77Å; E84-R87 PolarHBondContact OE2-NE 3.04Å; E84-R87 IonicContact OE2-NH2 3.55Å
88	N	98.8	Very high	98.3	Very high	14 Å²	14	41.7 Å²	41.7	8%	0.075	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	15.6	-173.2	-68.2	-73.9	0	0	0	113.9	E84 M85 E86 D90 H91 G142 P146 L149	E84-N88 WeakPolarHBondContact O-CB 3.23Å; E84-N88 PolarHBondContact O-N 3.4Å; E84-N88 VanDerWaalsContact O-N 3.13Å; E84-N88 PolarHBondContact O-ND2 3.47Å; M85-N88 CarbonylContact O-C 3.51Å; M85-N88 PolarHBondContact O-N 3.36Å; E86-N88 PolarHBondContact O-N 2.9Å; N88-D90 PolarHBondContact O-N 3.49Å; N88-D90 VanDerWaalsContact O-N 3.13Å; N88-H91 HydrophobicContact CB-CB 4.05Å; N88-H91 VanDerWaalsContact O-CB 3.29Å; N88-H91 WeakPolarHBondContact O-CB 3.33Å; N88-H91 PolarHBondContact O-N 3.02Å; N88-G142 PolarHBondContact ND2-O 3.46Å; N88-P146 VanDerWaalsContact OD1-CB 3.23Å; N88-P146 WeakPolarHBondContact OD1-CB 2.98Å; N88-L149 HydrophobicContact CB-CD2 4.06Å
89	K	98.6	Very high	98.3	Very high	74 Å²	74	43 Å²	43	32%	0.322	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-28.5	-175.1	70.3	-174.9	175	-173.3	0	114.1	M85 E86 A95 Y98	M85-K89 WeakPolarHBondContact O-CA 3.19Å; M85-K89 PolarHBondContact O-N 3.05Å; E86-K89 WeakPolarHBondContact O-CG 3.36Å; E86-K89 PolarHBondContact O-N 3.43Å; E86-K89 WeakPolarHBondContact OE1-CD 3.44Å; E86-K89 WeakPolarHBondContact OE1-CE 3.24Å; E86-K89 IonicContact OE1-NZ 2.86Å; E86-K89 PolarHBondContact OE1-NZ 3.47Å; K89-A95 VanDerWaalsContact O-CA 3.27Å; K89-A95 WeakPolarHBondContact O-CA 3.39Å; K89-A95 WeakPolarHBondContact O-CB 3.47Å; K89-Y98 HydrophobicContact CB-CD1 3.98Å; K89-Y98 HydrophobicContact CB-CD2 3.74Å; K89-Y98 HydrophobicContact CB-CE1 4Å; K89-Y98 HydrophobicContact CB-CE2 3.76Å; K89-Y98 HydrophobicContact CB-CG 3.86Å; K89-Y98 HydrophobicContact CD-CE1 4.35Å
90	D	98.3	Very high	98.3	Very high	137 Å²	137	43.6 Å²	43.6	73%	0.733	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.2	-2.4	178.3	-59.8	-50.8	0	0	0	112.4	N88	N88-D90 PolarHBondContact O-N 3.49Å; N88-D90 VanDerWaalsContact O-N 3.13Å
91	H	97.8	Very high	98.2	Very high	63 Å²	63	49.6 Å²	49.6	29%	0.292	25%	0.252	S	S	.	.			trans	-71.5	129	179.5	-171.7	-85	0	0	0	109.8	N88 A93 F94 A95	N88-H91 HydrophobicContact CB-CB 4.05Å; N88-H91 VanDerWaalsContact O-CB 3.29Å; N88-H91 WeakPolarHBondContact O-CB 3.33Å; N88-H91 PolarHBondContact O-N 3.02Å; H91-A93 WeakPolarHBondContact ND1-CB 3.43Å; H91-A93 PolarHBondContact ND1-N 2.9Å; H91-A93 PolarHBondContact O-N 3.39Å; H91-A93 VanDerWaalsContact O-N 3.1Å; H91-F94 PolarHBondContact O-N 3.29Å; H91-A95 WeakPolarHBondContact O-CB 3.38Å; H91-A95 PolarHBondContact O-N 2.98Å
92	P	96.4	Very high	98.2	Very high	103 Å²	103	52.1 Å²	52.1	67%	0.669	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-29.6	-171.2	23	-34.3	0	0	0	113.6	F94	P92-F94 PolarHBondContact O-N 3.2Å
93	A	94.3	Very high	98.2	Very high	12 Å²	12	51.6 Å²	51.6	10%	0.099	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-4.8	177.2	0	0	0	0	0	114.4	H91 E147 L211	H91-A93 WeakPolarHBondContact ND1-CB 3.43Å; H91-A93 PolarHBondContact ND1-N 2.9Å; H91-A93 PolarHBondContact O-N 3.39Å; H91-A93 VanDerWaalsContact O-N 3.1Å; A93-E147 HydrophobicContact CB-CB 3.86Å; A93-L211 HydrophobicContact CB-CD2 4.43Å
94	F	98.1	Very high	98.2	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.8	-33.8	-177.6	-171.3	-97.7	0	0	0	114.3	M85 H91 P92 P96 L97 Y98 L149 A153	M85-F94 HydrophobicContact CB-CE1 3.81Å; M85-F94 HydrophobicContact CB-CZ 4.05Å; M85-F94 HydrophobicContact CE-CE1 4.08Å; M85-F94 HydrophobicContact CE-CZ 3.61Å; M85-F94 HydrophobicContact CG-CE1 3.74Å; M85-F94 HydrophobicContact CG-CE2 4.28Å; M85-F94 HydrophobicContact CG-CZ 3.43Å; M85-F94 VanDerWaalsContact CG-CZ 3.43Å; M85-F94 HydrophobicContact SD-CZ 4.06Å; H91-F94 PolarHBondContact O-N 3.29Å; P92-F94 PolarHBondContact O-N 3.2Å; F94-P96 VanDerWaalsContact C-N 3.28Å; F94-P96 WeakPolarHBondContact O-CD 3.46Å; F94-L97 HydrophobicContact CE2-CB 4.26Å; F94-L97 HydrophobicContact CZ-CB 4.37Å; F94-L97 WeakPolarHBondContact O-CA 3.17Å; F94-L97 WeakPolarHBondContact O-CB 3.25Å; F94-L97 PolarHBondContact O-N 3.4Å; F94-Y98 HydrophobicContact CE1-CD2 4.32Å; F94-L149 HydrophobicContact CD1-CD2 4.3Å; F94-L149 HydrophobicContact CD2-CB 4.05Å; F94-L149 HydrophobicContact CD2-CD2 3.92Å; F94-L149 HydrophobicContact CD2-CG 3.99Å; F94-L149 HydrophobicContact CE1-CD2 4.43Å; F94-L149 HydrophobicContact CE2-CB 4.43Å; F94-L149 HydrophobicContact CE2-CD2 4.05Å; F94-L149 HydrophobicContact CE2-CG 3.96Å; F94-L149 HydrophobicContact CG-CD2 4.07Å; F94-L149 HydrophobicContact CZ-CD2 4.33Å; F94-A153 HydrophobicContact CE2-CB 4.12Å; F94-A153 HydrophobicContact CZ-CB 4.48Å
95	A	98.3	Very high	98.2	Very high	37 Å²	37	49.3 Å²	49.3	31%	0.306	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-45.4	-40.2	-174.4	0	0	0	0	0	115.4	K89 H91 L97 Y98	K89-A95 VanDerWaalsContact O-CA 3.27Å; K89-A95 WeakPolarHBondContact O-CA 3.39Å; K89-A95 WeakPolarHBondContact O-CB 3.47Å; H91-A95 WeakPolarHBondContact O-CB 3.38Å; H91-A95 PolarHBondContact O-N 2.98Å; A95-L97 PolarHBondContact O-N 2.95Å; A95-Y98 PolarHBondContact O-N 3.47Å
96	P	98.2	Very high	98.2	Very high	46 Å²	46	53.3 Å²	53.3	30%	0.299	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-62.6	-13.2	176.8	-26.1	38.5	0	0	0	115.7	F94 F99 R205 L209	F94-P96 VanDerWaalsContact C-N 3.28Å; F94-P96 WeakPolarHBondContact O-CD 3.46Å; P96-F99 WeakPolarHBondContact O-CE2 3.4Å; P96-R205 HydrophobicContact CB-CB 4.49Å; P96-R205 WeakPolarHBondContact O-CB 3.37Å; P96-L209 HydrophobicContact CB-CD2 4.28Å; P96-L209 HydrophobicContact CG-CD2 3.78Å
97	L	98.4	Very high	98.2	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-108.2	3.3	-178	-55.5	178.6	0	0	0	113.3	F94 A95 F99 V150 Y202 R205 M206 L209	F94-L97 HydrophobicContact CE2-CB 4.26Å; F94-L97 HydrophobicContact CZ-CB 4.37Å; F94-L97 WeakPolarHBondContact O-CA 3.17Å; F94-L97 WeakPolarHBondContact O-CB 3.25Å; F94-L97 PolarHBondContact O-N 3.4Å; A95-L97 PolarHBondContact O-N 2.95Å; L97-F99 WeakPolarHBondContact O-CD2 3.29Å; L97-F99 PolarHBondContact O-N 3.23Å; L97-F99 VanDerWaalsContact O-N 3.13Å; L97-V150 HydrophobicContact CD1-CB 3.8Å; L97-V150 HydrophobicContact CD1-CG2 3.32Å; L97-Y202 HydrophobicContact CB-CE2 4.2Å; L97-Y202 HydrophobicContact CD2-CD1 4.34Å; L97-Y202 HydrophobicContact CD2-CD2 4.48Å; L97-Y202 HydrophobicContact CD2-CE1 4.04Å; L97-Y202 HydrophobicContact CD2-CE2 4.19Å; L97-R205 HydrophobicContact CD2-CB 3.65Å; L97-M206 HydrophobicContact CD1-CG 3.85Å; L97-M206 HydrophobicContact CD2-CB 4.37Å; L97-M206 HydrophobicContact CD2-CG 3.54Å; L97-M206 HydrophobicContact CG-CG 4.35Å; L97-L209 HydrophobicContact CD1-CD1 4.08Å
98	Y	98.6	Very high	98.1	Very high	61 Å²	61	50.7 Å²	50.7	24%	0.239	26%	0.264	C	S	.	.			trans	-80.8	95	-178.9	-177.8	-105.9	0	0	0	110.7	E86 K89 F94 A95 P100	E86-Y98 PolarHBondContact OE2-OH 3.31Å; K89-Y98 HydrophobicContact CB-CD1 3.98Å; K89-Y98 HydrophobicContact CB-CD2 3.74Å; K89-Y98 HydrophobicContact CB-CE1 4Å; K89-Y98 HydrophobicContact CB-CE2 3.76Å; K89-Y98 HydrophobicContact CB-CG 3.86Å; K89-Y98 HydrophobicContact CD-CE1 4.35Å; F94-Y98 HydrophobicContact CE1-CD2 4.32Å; A95-Y98 PolarHBondContact O-N 3.47Å; Y98-P100 VanDerWaalsContact C-CD 3.45Å; Y98-P100 HydrophobicContact CD1-CG 4.23Å; Y98-P100 HydrophobicContact CE1-CB 4.43Å; Y98-P100 HydrophobicContact CE1-CG 3.61Å; Y98-P100 HydrophobicContact CE2-CB 4.36Å; Y98-P100 HydrophobicContact CE2-CG 4.37Å; Y98-P100 WeakPolarHBondContact O-CD 3.41Å
99	F	98.6	Very high	98.1	Very high	28 Å²	28	50 Å²	50	12%	0.123	26%	0.26	C	S	.	.			trans	-120.1	67.8	-179.5	-67.1	-79.2	0	0	0	111.2	P96 L97 M101 E102 L103 F198 L201 Y202 R205	P96-F99 WeakPolarHBondContact O-CE2 3.4Å; L97-F99 WeakPolarHBondContact O-CD2 3.29Å; L97-F99 PolarHBondContact O-N 3.23Å; L97-F99 VanDerWaalsContact O-N 3.13Å; F99-M101 PolarHBondContact O-N 2.95Å; F99-E102 WeakPolarHBondContact CA-OE2 3.46Å; F99-E102 HydrophobicContact CB-CB 4.31Å; F99-E102 WeakPolarHBondContact CB-OE2 3.24Å; F99-E102 PolarHBondContact O-N 3.29Å; F99-L103 HydrophobicContact CB-CD1 4.01Å; F99-L103 HydrophobicContact CB-CG 4.01Å; F99-L103 WeakPolarHBondContact O-CB 3.38Å; F99-L103 PolarHBondContact O-N 3.35Å; F99-F198 HydrophobicContact CB-CZ 4.02Å; F99-F198 HydrophobicContact CD1-CE2 4.32Å; F99-F198 AromaticContact CD1-CZ 3.98Å; F99-F198 HydrophobicContact CD1-CZ 3.98Å; F99-F198 HydrophobicContact CD2-CZ 4.23Å; F99-F198 AromaticContact CG-CZ 3.82Å; F99-F198 HydrophobicContact CG-CZ 3.82Å; F99-L201 HydrophobicContact CE1-CD2 4.5Å; F99-Y202 AromaticContact CD2-CD2 3.96Å; F99-Y202 HydrophobicContact CD2-CD2 3.96Å; F99-Y202 HydrophobicContact CD2-CE2 4.07Å; F99-Y202 HydrophobicContact CE2-CD2 4.08Å; F99-Y202 HydrophobicContact CE2-CE2 4.45Å; F99-R205 HydrophobicContact CE2-CG 4.37Å; F99-R205 HydrophobicContact CZ-CG 4.15Å
100	P	98.4	Very high	98.1	Very high	25 Å²	25	48.1 Å²	48.1	16%	0.162	26%	0.255	C	S	.	.	H	α-helix	trans	-65.9	-39.5	-170.9	27.1	-36.7	0	0	0	112.9	Y98 E102 H104	Y98-P100 VanDerWaalsContact C-CD 3.45Å; Y98-P100 HydrophobicContact CD1-CG 4.23Å; Y98-P100 HydrophobicContact CE1-CB 4.43Å; Y98-P100 HydrophobicContact CE1-CG 3.61Å; Y98-P100 HydrophobicContact CE2-CB 4.36Å; Y98-P100 HydrophobicContact CE2-CG 4.37Å; Y98-P100 WeakPolarHBondContact O-CD 3.41Å; P100-E102 VanDerWaalsContact C-N 3.34Å; P100-E102 PolarHBondContact O-N 2.96Å; P100-H104 WeakPolarHBondContact O-CB 3.32Å; P100-H104 PolarHBondContact O-N 3.08Å; P100-H104 VanDerWaalsContact O-N 3.13Å
101	M	98.3	Very high	98.1	Very high	129 Å²	129	45.7 Å²	45.7	64%	0.635	24%	0.238	S	C	*	.	H	α-helix	trans	-70.6	-35.7	-176.7	-59.7	-61.6	91.6	0	0	111.3	F99 N191	F99-M101 PolarHBondContact O-N 2.95Å; M101-N191 WeakPolarHBondContact O-CB 3.22Å; M101-N191 PolarHBondContact O-ND2 2.85Å
102	E	98.4	Very high	98.2	Very high	54 Å²	54	42.8 Å²	42.8	25%	0.252	22%	0.224	S	C	.	.	H	α-helix	trans	-83.2	-43.1	-176.2	-57.3	91.5	155.8	0	0	111.6	F99 P100 R105 F189 N191 V192 F198	F99-E102 WeakPolarHBondContact CA-OE2 3.46Å; F99-E102 HydrophobicContact CB-CB 4.31Å; F99-E102 WeakPolarHBondContact CB-OE2 3.24Å; F99-E102 PolarHBondContact O-N 3.29Å; P100-E102 VanDerWaalsContact C-N 3.34Å; P100-E102 PolarHBondContact O-N 2.96Å; E102-R105 PolarHBondContact O-NH2 2.99Å; E102-F189 WeakPolarHBondContact O-CD1 3.45Å; E102-N191 HydrophobicContact CG-CB 4.42Å; E102-V192 HydrophobicContact CB-CG2 3.81Å; E102-V192 HydrophobicContact CG-CG2 4.5Å; E102-F198 HydrophobicContact CB-CE2 3.66Å; E102-F198 HydrophobicContact CB-CZ 3.71Å; E102-F198 HydrophobicContact CG-CE2 3.76Å; E102-F198 HydrophobicContact CG-CZ 4.24Å
103	L	98.4	Very high	98.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-106.8	-31.2	-167.3	-64.9	-176.3	0	0	0	115.4	F99 R105 Y157 L161 F189 F198 Y202	F99-L103 HydrophobicContact CB-CD1 4.01Å; F99-L103 HydrophobicContact CB-CG 4.01Å; F99-L103 WeakPolarHBondContact O-CB 3.38Å; F99-L103 PolarHBondContact O-N 3.35Å; L103-R105 PolarHBondContact O-N 2.82Å; L103-R105 PolarHBondContact O-NE 3.48Å; L103-R105 PolarHBondContact O-NH2 3.39Å; L103-Y157 HydrophobicContact CB-CD1 3.87Å; L103-Y157 HydrophobicContact CB-CE1 3.97Å; L103-Y157 HydrophobicContact CB-CG 4.16Å; L103-Y157 HydrophobicContact CD1-CD2 4.17Å; L103-Y157 HydrophobicContact CD1-CG 4.06Å; L103-Y157 HydrophobicContact CD2-CD1 4.46Å; L103-Y157 HydrophobicContact CD2-CG 4.47Å; L103-Y157 HydrophobicContact CG-CG 4.48Å; L103-Y157 WeakPolarHBondContact O-CE1 3.49Å; L103-L161 HydrophobicContact CD2-CD1 3.97Å; L103-L161 HydrophobicContact CD2-CG 4.46Å; L103-F189 HydrophobicContact CD2-CD1 4.34Å; L103-F189 HydrophobicContact CD2-CE1 4.09Å; L103-F198 HydrophobicContact CD1-CE1 3.96Å; L103-F198 HydrophobicContact CD1-CZ 4.35Å; L103-F198 HydrophobicContact CD2-CD1 4.24Å; L103-F198 HydrophobicContact CD2-CE1 3.56Å; L103-F198 HydrophobicContact CD2-CZ 4.14Å; L103-F198 HydrophobicContact CG-CE1 3.82Å; L103-F198 HydrophobicContact CG-CZ 4.02Å; L103-Y202 HydrophobicContact CD1-CD2 3.93Å; L103-Y202 HydrophobicContact CD1-CE2 3.58Å
104	H	98.8	Very high	98.5	Very high	40 Å²	40	41.8 Å²	41.8	19%	0.185	21%	0.209	C	C	.	.			trans	-60.2	138	-172.3	-73.1	-168.8	0	0	0	111.5	E82 P100	E82-H104 HydrophobicContact CG-CB 4.29Å; E82-H104 WeakPolarHBondContact OE1-CA 3.34Å; E82-H104 WeakPolarHBondContact OE2-CB 3.47Å; E82-H104 IonicContact OE2-CG 3.43Å; E82-H104 IonicContact OE2-ND1 2.96Å; P100-H104 WeakPolarHBondContact O-CB 3.32Å; P100-H104 PolarHBondContact O-N 3.08Å; P100-H104 VanDerWaalsContact O-N 3.13Å
105	R	98.7	Very high	98.5	Very high	10 Å²	10	46.1 Å²	46.1	4%	0.038	23%	0.226	C	C	.	.			trans	-114.7	-15.9	-173.1	-62.1	-58.9	85.3	174.9	1	112.4	Y78 E82 E102 L103 E107 A108 L109 Y157 F186 L188	Y78-R105 HydrophobicContact CD1-CB 3.56Å; Y78-R105 HydrophobicContact CD1-CG 3.64Å; Y78-R105 HydrophobicContact CE1-CB 3.97Å; Y78-R105 HydrophobicContact CE1-CG 3.5Å; Y78-R105 HydrophobicContact CG-CB 3.97Å; Y78-R105 HydrophobicContact CG-CG 4.42Å; E82-R105 PolarHBondContact OE1-N 2.99Å; E82-R105 PolarHBondContact OE2-N 3.41Å; E102-R105 PolarHBondContact O-NH2 2.99Å; L103-R105 PolarHBondContact O-N 2.82Å; L103-R105 PolarHBondContact O-NE 3.48Å; L103-R105 PolarHBondContact O-NH2 3.39Å; R105-E107 VanDerWaalsContact C-N 3.29Å; R105-E107 PolarHBondContact O-N 3.41Å; R105-A108 PolarHBondContact O-N 3.46Å; R105-A108 VanDerWaalsContact O-N 3.12Å; R105-L109 HydrophobicContact CB-CD1 3.84Å; R105-L109 HydrophobicContact CB-CG 4.43Å; R105-L109 WeakPolarHBondContact O-CB 3.36Å; R105-L109 WeakPolarHBondContact O-CG 3.29Å; R105-L109 PolarHBondContact O-N 3.22Å; R105-Y157 HydrophobicContact CG-CE1 4.12Å; R105-F186 HydrophobicContact CB-CD2 3.88Å; R105-F186 HydrophobicContact CB-CE2 4.01Å; R105-F186 WeakPolarHBondContact CD-O 3.42Å; R105-F186 HydrophobicContact CG-CD2 3.88Å; R105-F186 HydrophobicContact CG-CE2 3.71Å; R105-F186 PolarHBondContact NH1-O 3.1Å; R105-L188 PolarHBondContact NH1-O 3.18Å
106	K	98.7	Very high	98.4	Very high	85 Å²	85	45 Å²	45	37%	0.37	21%	0.214	S	C	.	.	H	α-helix	trans	-54.2	-44.2	-176.6	-179.5	-180	-174.6	178.1	0	112.6	Y75 E82 L109 T110	Y75-K106 HydrophobicContact CE2-CG 4.37Å; E82-K106 PolarHBondContact OE1-N 2.7Å; E82-K106 WeakPolarHBondContact OE2-CB 3.49Å; E82-K106 PolarHBondContact OE2-N 2.5Å; K106-L109 PolarHBondContact O-N 3.13Å; K106-T110 WeakPolarHBondContact O-CB 3.36Å; K106-T110 PolarHBondContact O-N 2.94Å; K106-T110 PolarHBondContact O-OG1 3.31Å
107	E	98.4	Very high	98.4	Very high	131 Å²	131	44.9 Å²	44.9	61%	0.612	21%	0.209	S	C	*	.	H	α-helix	trans	-64.2	-45.8	178.4	-167.1	-166.5	148.1	0	0	111.6	R105 L109 T110 K111	R105-E107 VanDerWaalsContact C-N 3.29Å; R105-E107 PolarHBondContact O-N 3.41Å; E107-L109 VanDerWaalsContact C-N 3.35Å; E107-L109 PolarHBondContact O-N 3.31Å; E107-T110 WeakPolarHBondContact O-CB 3.36Å; E107-T110 PolarHBondContact O-N 3.13Å; E107-K111 PolarHBondContact O-N 3.49Å; E107-K111 WeakPolarHBondContact OE1-CE 3.38Å; E107-K111 IonicContact OE1-NZ 3.83Å; E107-K111 PolarHBondContact OE1-NZ 2.8Å
108	A	98.4	Very high	98.4	Very high	16 Å²	16	46.5 Å²	46.5	13%	0.132	23%	0.225	C	C	.	.	H	α-helix	trans	-62.9	-41.3	177.1	0	0	0	0	0	112.1	R105 T110 K111 D112 Q185	R105-A108 PolarHBondContact O-N 3.46Å; R105-A108 VanDerWaalsContact O-N 3.12Å; A108-T110 VanDerWaalsContact C-N 3.34Å; A108-K111 PolarHBondContact O-N 2.92Å; A108-D112 PolarHBondContact O-N 2.86Å; A108-Q185 HydrophobicContact CB-CB 4Å
109	L	98.7	Very high	98.2	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-66	-35.7	175.7	-76.8	160.4	0	0	0	111.7	T71 L74 Y75 Y78 R105 K106 E107 K111 D112 M113 F186	T71-L109 HydrophobicContact CG2-CD2 4.14Å; L74-L109 HydrophobicContact CB-CD1 4.19Å; L74-L109 HydrophobicContact CB-CD2 3.75Å; L74-L109 HydrophobicContact CD1-CD2 4.5Å; Y75-L109 HydrophobicContact CD2-CB 4.15Å; Y78-L109 HydrophobicContact CD2-CD1 3.93Å; Y78-L109 HydrophobicContact CG-CD1 3.94Å; R105-L109 HydrophobicContact CB-CD1 3.84Å; R105-L109 HydrophobicContact CB-CG 4.43Å; R105-L109 WeakPolarHBondContact O-CB 3.36Å; R105-L109 WeakPolarHBondContact O-CG 3.29Å; R105-L109 PolarHBondContact O-N 3.22Å; K106-L109 PolarHBondContact O-N 3.13Å; E107-L109 VanDerWaalsContact C-N 3.35Å; E107-L109 PolarHBondContact O-N 3.31Å; L109-K111 VanDerWaalsContact C-N 3.35Å; L109-K111 PolarHBondContact O-N 2.91Å; L109-D112 PolarHBondContact O-N 3.41Å; L109-M113 WeakPolarHBondContact O-CB 3.19Å; L109-M113 WeakPolarHBondContact O-CG 3.49Å; L109-M113 PolarHBondContact O-N 2.93Å; L109-F186 HydrophobicContact CD1-CD2 3.75Å; L109-F186 HydrophobicContact CD1-CE2 4.16Å; L109-F186 HydrophobicContact CD2-CB 3.84Å; L109-F186 HydrophobicContact CD2-CD2 3.67Å; L109-F186 HydrophobicContact CD2-CG 3.9Å; L109-F186 HydrophobicContact CG-CB 4.17Å; L109-F186 HydrophobicContact CG-CD2 3.66Å; L109-F186 HydrophobicContact CG-CG 4.27Å
110	T	98.7	Very high	98	Very high	33 Å²	33	55.6 Å²	55.6	20%	0.202	27%	0.274	C	S	.	.	H	α-helix	trans	-59.3	-46.9	174.4	-57.8	0	0	0	0	110.6	K106 E107 A108 D112 M113 E114 W121	K106-T110 WeakPolarHBondContact O-CB 3.36Å; K106-T110 PolarHBondContact O-N 2.94Å; K106-T110 PolarHBondContact O-OG1 3.31Å; E107-T110 WeakPolarHBondContact O-CB 3.36Å; E107-T110 PolarHBondContact O-N 3.13Å; A108-T110 VanDerWaalsContact C-N 3.34Å; T110-D112 VanDerWaalsContact C-N 3.32Å; T110-D112 PolarHBondContact O-N 2.94Å; T110-M113 PolarHBondContact O-N 3.08Å; T110-E114 WeakPolarHBondContact O-CG 3.27Å; T110-E114 PolarHBondContact O-N 3.44Å; T110-W121 HydrophobicContact CG2-CZ2 3.99Å
111	K	98.5	Very high	97.9	Very high	87 Å²	87	54.7 Å²	54.7	38%	0.378	27%	0.267	S	S	.	.	H	α-helix	trans	-60.6	-39.7	175	-64.4	170.1	-173	164.1	0	112.2	E107 A108 L109 Y115 Q185	E107-K111 PolarHBondContact O-N 3.49Å; E107-K111 WeakPolarHBondContact OE1-CE 3.38Å; E107-K111 IonicContact OE1-NZ 3.83Å; E107-K111 PolarHBondContact OE1-NZ 2.8Å; A108-K111 PolarHBondContact O-N 2.92Å; L109-K111 VanDerWaalsContact C-N 3.35Å; L109-K111 PolarHBondContact O-N 2.91Å; K111-Y115 PolarHBondContact O-N 2.85Å; K111-Q185 HydrophobicContact CB-CG 4.43Å
112	D	98.5	Very high	97.8	Very high	2 Å²	2	54.8 Å²	54.8	1%	0.011	27%	0.266	C	S	.	.	H	α-helix	trans	-68.6	-38.2	177	-70.2	-19.5	0	0	0	111.9	T71 A108 L109 T110 Y115 F116 G183 T184 Q185 F186	T71-D112 HydrophobicContact CG2-CB 4.01Å; A108-D112 PolarHBondContact O-N 2.86Å; L109-D112 PolarHBondContact O-N 3.41Å; T110-D112 VanDerWaalsContact C-N 3.32Å; T110-D112 PolarHBondContact O-N 2.94Å; D112-Y115 PolarHBondContact O-N 2.68Å; D112-F116 WeakPolarHBondContact O-CD2 3.48Å; D112-F116 PolarHBondContact O-N 2.8Å; D112-F116 VanDerWaalsContact O-N 3.16Å; D112-G183 VanDerWaalsContact OD1-CA 3.29Å; D112-G183 WeakPolarHBondContact OD1-CA 3.45Å; D112-G183 PolarHBondContact OD1-N 2.93Å; D112-T184 PolarHBondContact OD1-N 2.99Å; D112-Q185 VanDerWaalsContact CG-N 3.28Å; D112-Q185 WeakPolarHBondContact OD1-CB 3.39Å; D112-Q185 PolarHBondContact OD1-N 3.2Å; D112-Q185 PolarHBondContact OD2-N 3.37Å; D112-F186 WeakPolarHBondContact OD2-CB 3.27Å; D112-F186 PolarHBondContact OD2-N 3.41Å
113	M	98.6	Very high	97.5	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-64	-46.4	175.2	-68.3	-66.7	-72.9	0	0	111.2	T71 T72 Y75 L109 T110 Y115 F116 F117 W121 V125	T71-M113 HydrophobicContact CG2-CG 4.44Å; T71-M113 HydrophobicContact CG2-SD 3.88Å; T72-M113 HydrophobicContact CG2-CE 4.19Å; Y75-M113 HydrophobicContact CD2-CG 4.32Å; Y75-M113 HydrophobicContact CG-CG 4.18Å; L109-M113 WeakPolarHBondContact O-CB 3.19Å; L109-M113 WeakPolarHBondContact O-CG 3.49Å; L109-M113 PolarHBondContact O-N 2.93Å; T110-M113 PolarHBondContact O-N 3.08Å; M113-Y115 VanDerWaalsContact C-N 3.31Å; M113-Y115 PolarHBondContact O-N 2.81Å; M113-F116 PolarHBondContact O-N 3.25Å; M113-F116 VanDerWaalsContact O-N 3.14Å; M113-F117 HydrophobicContact CE-CD2 4.02Å; M113-F117 HydrophobicContact CE-CE2 3.86Å; M113-F117 WeakPolarHBondContact O-CB 3.48Å; M113-F117 WeakPolarHBondContact O-CD2 3.49Å; M113-F117 PolarHBondContact O-N 3.25Å; M113-F117 HydrophobicContact SD-CD2 4.16Å; M113-F117 HydrophobicContact SD-CE2 3.86Å; M113-W121 HydrophobicContact CB-CD2 3.62Å; M113-W121 HydrophobicContact CB-CE3 3.76Å; M113-W121 HydrophobicContact CB-CG 4.09Å; M113-W121 HydrophobicContact CB-CH2 4.44Å; M113-W121 HydrophobicContact CB-CZ2 4.31Å; M113-W121 HydrophobicContact CB-CZ3 4.18Å; M113-W121 HydrophobicContact CE-CD2 4.39Å; M113-W121 HydrophobicContact CE-CE3 3.44Å; M113-W121 VanDerWaalsContact CE-CE3 3.44Å; M113-W121 HydrophobicContact CE-CZ3 3.69Å; M113-W121 HydrophobicContact CG-CD2 4.49Å; M113-W121 HydrophobicContact CG-CE3 4.17Å; M113-W121 HydrophobicContact CG-CZ3 4.19Å; M113-V125 HydrophobicContact CE-CB 4.11Å; M113-V125 HydrophobicContact CE-CG1 3.79Å; M113-V125 HydrophobicContact CE-CG2 3.73Å
114	E	98.3	Very high	97.2	Very high	93 Å²	93	66.1 Å²	66.1	44%	0.435	32%	0.319	S	S	.	.	H	α-helix	trans	-56.9	-44.2	174.1	-73.1	173	-177.6	0	0	111.8	T110 F116 G118	T110-E114 WeakPolarHBondContact O-CG 3.27Å; T110-E114 PolarHBondContact O-N 3.44Å; E114-F116 VanDerWaalsContact C-N 3.28Å; E114-F116 PolarHBondContact O-N 3.33Å; E114-G118 VanDerWaalsContact O-CA 3.22Å; E114-G118 WeakPolarHBondContact O-CA 3.42Å; E114-G118 PolarHBondContact O-N 3.05Å
115	Y	98.2	Very high	97	Very high	92 Å²	92	65 Å²	65	36%	0.361	32%	0.315	S	S	.	.	H	α-helix	trans	-60	-38	177.8	179.7	-90.6	0	0	0	112.7	K111 D112 M113 L177 P178 E182 G183	K111-Y115 PolarHBondContact O-N 2.85Å; D112-Y115 PolarHBondContact O-N 2.68Å; M113-Y115 VanDerWaalsContact C-N 3.31Å; M113-Y115 PolarHBondContact O-N 2.81Å; Y115-L177 HydrophobicContact CE1-CD2 3.59Å; Y115-P178 VanDerWaalsContact OH-CD 3.26Å; Y115-P178 WeakPolarHBondContact OH-CD 3.3Å; Y115-E182 HydrophobicContact CD2-CB 3.56Å; Y115-E182 HydrophobicContact CE2-CB 3.62Å; Y115-E182 HydrophobicContact CG-CB 4.39Å; Y115-G183 VanDerWaalsContact CD1-CA 3.49Å
116	F	97.7	Very high	96.8	Very high	14 Å²	14	72.7 Å²	72.7	6%	0.061	35%	0.351	C	S	.	.	H	α-helix	trans	-89.2	-30.7	-175	-78.8	-57.3	0	0	0	115.3	K64 F67 K68 D112 M113 E114 L177 G183	K64-F116 HydrophobicContact CG-CD1 4.5Å; K64-F116 HydrophobicContact CG-CE1 4.34Å; F67-F116 HydrophobicContact CD1-CE1 4.19Å; F67-F116 AromaticContact CD1-CE2 3.77Å; F67-F116 HydrophobicContact CD1-CE2 3.77Å; F67-F116 AromaticContact CD1-CZ 3.47Å; F67-F116 HydrophobicContact CD1-CZ 3.47Å; F67-F116 VanDerWaalsContact CD1-CZ 3.47Å; F67-F116 AromaticContact CE1-CE2 3.56Å; F67-F116 HydrophobicContact CE1-CE2 3.56Å; F67-F116 AromaticContact CE1-CZ 3.45Å; F67-F116 HydrophobicContact CE1-CZ 3.45Å; F67-F116 VanDerWaalsContact CE1-CZ 3.45Å; K68-F116 HydrophobicContact CD-CB 4.11Å; K68-F116 HydrophobicContact CD-CD1 4.18Å; K68-F116 HydrophobicContact CD-CG 4.39Å; K68-F116 HydrophobicContact CG-CB 3.76Å; K68-F116 HydrophobicContact CG-CD1 3.7Å; K68-F116 HydrophobicContact CG-CD2 4.48Å; K68-F116 HydrophobicContact CG-CE1 4.5Å; K68-F116 HydrophobicContact CG-CG 3.72Å; D112-F116 WeakPolarHBondContact O-CD2 3.48Å; D112-F116 PolarHBondContact O-N 2.8Å; D112-F116 VanDerWaalsContact O-N 3.16Å; M113-F116 PolarHBondContact O-N 3.25Å; M113-F116 VanDerWaalsContact O-N 3.14Å; E114-F116 VanDerWaalsContact C-N 3.28Å; E114-F116 PolarHBondContact O-N 3.33Å; F116-L177 HydrophobicContact CE1-CD2 4.12Å; F116-L177 HydrophobicContact CZ-CD1 4.16Å; F116-L177 HydrophobicContact CZ-CD2 4.19Å; F116-G183 VanDerWaalsContact CE2-O 3.24Å; F116-G183 WeakPolarHBondContact CE2-O 3.37Å; F116-G183 WeakPolarHBondContact CZ-O 3.35Å
117	F	97.4	Very high	96.8	Very high	43 Å²	43	70.3 Å²	70.3	19%	0.189	35%	0.345	C	S	.	.	H	α-helix	trans	-121.5	-7.1	-169.7	-64.5	-87.1	0	0	0	113.3	K68 T72 M113 W121 Q124 V125	K68-F117 HydrophobicContact CB-CE1 4.41Å; K68-F117 HydrophobicContact CB-CE2 4.02Å; K68-F117 HydrophobicContact CB-CZ 3.65Å; K68-F117 HydrophobicContact CD-CZ 4.46Å; K68-F117 HydrophobicContact CG-CE2 4.31Å; K68-F117 HydrophobicContact CG-CZ 4.23Å; T72-F117 WeakPolarHBondContact OG1-CZ 3.42Å; M113-F117 HydrophobicContact CE-CD2 4.02Å; M113-F117 HydrophobicContact CE-CE2 3.86Å; M113-F117 WeakPolarHBondContact O-CB 3.48Å; M113-F117 WeakPolarHBondContact O-CD2 3.49Å; M113-F117 PolarHBondContact O-N 3.25Å; M113-F117 HydrophobicContact SD-CD2 4.16Å; M113-F117 HydrophobicContact SD-CE2 3.86Å; F117-W121 HydrophobicContact CB-CB 3.39Å; F117-W121 HydrophobicContact CG-CB 4.35Å; F117-Q124 PolarHBondContact O-NE2 2.88Å; F117-V125 HydrophobicContact CD1-CG1 3.75Å; F117-V125 HydrophobicContact CD2-CG1 4.19Å; F117-V125 HydrophobicContact CE1-CG1 3.71Å; F117-V125 HydrophobicContact CE2-CG1 4.17Å; F117-V125 HydrophobicContact CG-CG1 3.98Å; F117-V125 HydrophobicContact CZ-CG1 3.9Å
118	G	97.3	Very high	96.6	Very high	33 Å²	33	65.2 Å²	65.2	34%	0.34	32%	0.323	S	S	.	.			trans	84.9	-177.1	-177.9	0	0	0	0	0	113.3	E114 N120 W121	E114-G118 VanDerWaalsContact O-CA 3.22Å; E114-G118 WeakPolarHBondContact O-CA 3.42Å; E114-G118 PolarHBondContact O-N 3.05Å; G118-N120 PolarHBondContact O-N 3.32Å; G118-W121 WeakPolarHBondContact O-CB 3.45Å; G118-W121 VanDerWaalsContact O-CD1 3.26Å; G118-W121 PolarHBondContact O-N 3.47Å
119	E	94.5	Very high	96.6	Very high	178 Å²	178	72.5 Å²	72.5	83%	0.832	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-39.4	-174.2	-66	177	175.2	0	0	113.1	W121	E119-W121 PolarHBondContact O-N 2.85Å
120	N	95.2	Very high	96.6	Very high	103 Å²	103	72.9 Å²	72.9	55%	0.551	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	34.8	-179.1	-61	-24	0	0	0	112.6	G118 E122 E123 Q124	G118-N120 PolarHBondContact O-N 3.32Å; N120-E122 VanDerWaalsContact C-N 3.29Å; N120-E122 PolarHBondContact O-N 2.98Å; N120-E123 PolarHBondContact O-N 3.35Å; N120-Q124 WeakPolarHBondContact O-CG 3.48Å; N120-Q124 PolarHBondContact O-NE2 2.86Å
121	W	97.2	Very high	96.6	Very high	6 Å²	6	71.3 Å²	71.3	2%	0.023	35%	0.345	C	S	.	.	H	α-helix	trans	-65.2	-32.8	-174.5	64.9	-88.6	0	0	0	112.6	Y75 T110 M113 F117 G118 E119 E123 Q124 V125	Y75-W121 HydrophobicContact CD1-CH2 4.09Å; Y75-W121 AromaticContact CD1-CZ3 3.95Å; Y75-W121 HydrophobicContact CD1-CZ3 3.95Å; Y75-W121 HydrophobicContact CD2-CH2 4.11Å; Y75-W121 AromaticContact CE1-CH2 3.57Å; Y75-W121 HydrophobicContact CE1-CH2 3.57Å; Y75-W121 AromaticContact CE1-CZ3 3.73Å; Y75-W121 HydrophobicContact CE1-CZ3 3.73Å; Y75-W121 AromaticContact CE2-CH2 3.6Å; Y75-W121 HydrophobicContact CE2-CH2 3.6Å; Y75-W121 HydrophobicContact CE2-CZ2 4.33Å; Y75-W121 HydrophobicContact CE2-CZ3 4.39Å; Y75-W121 HydrophobicContact CG-CH2 4.35Å; Y75-W121 HydrophobicContact CG-CZ3 4.38Å; Y75-W121 AromaticContact CZ-CH2 3.33Å; T110-W121 HydrophobicContact CG2-CZ2 3.99Å; M113-W121 HydrophobicContact CB-CD2 3.62Å; M113-W121 HydrophobicContact CB-CE3 3.76Å; M113-W121 HydrophobicContact CB-CG 4.09Å; M113-W121 HydrophobicContact CB-CH2 4.44Å; M113-W121 HydrophobicContact CB-CZ2 4.31Å; M113-W121 HydrophobicContact CB-CZ3 4.18Å; M113-W121 HydrophobicContact CE-CD2 4.39Å; M113-W121 HydrophobicContact CE-CE3 3.44Å; M113-W121 VanDerWaalsContact CE-CE3 3.44Å; M113-W121 HydrophobicContact CE-CZ3 3.69Å; M113-W121 HydrophobicContact CG-CD2 4.49Å; M113-W121 HydrophobicContact CG-CE3 4.17Å; M113-W121 HydrophobicContact CG-CZ3 4.19Å; F117-W121 HydrophobicContact CB-CB 3.39Å; F117-W121 HydrophobicContact CG-CB 4.35Å; G118-W121 WeakPolarHBondContact O-CB 3.45Å; G118-W121 VanDerWaalsContact O-CD1 3.26Å; G118-W121 PolarHBondContact O-N 3.47Å; E119-W121 PolarHBondContact O-N 2.85Å; W121-E123 VanDerWaalsContact C-N 3.26Å; W121-E123 PolarHBondContact O-N 3.26Å; W121-Q124 PolarHBondContact O-N 2.89Å; W121-V125 HydrophobicContact CE3-CG2 3.64Å; W121-V125 HydrophobicContact CZ3-CG2 3.86Å; W121-V125 WeakPolarHBondContact O-CG2 3.5Å; W121-V125 PolarHBondContact O-N 3.32Å; W121-V125 VanDerWaalsContact O-N 3.07Å
122	E	94.7	Very high	96.6	Very high	131 Å²	131	72.6 Å²	72.6	61%	0.612	35%	0.351	S	S	*	.	H	α-helix	trans	-59.2	-35.5	-178.7	-66.3	-171.6	159.1	0	0	112.9	N120 Q124	N120-E122 VanDerWaalsContact C-N 3.29Å; N120-E122 PolarHBondContact O-N 2.98Å; E122-Q124 VanDerWaalsContact C-N 3.31Å
123	E	93.7	Very high	96.6	Very high	170 Å²	170	77.9 Å²	77.9	79%	0.794	37%	0.374	S	S	*	.	H	α-helix	trans	-77.1	-19.4	179	-60.8	-179	-177.3	0	0	112.8	N120 W121	N120-E123 PolarHBondContact O-N 3.35Å; W121-E123 VanDerWaalsContact C-N 3.26Å; W121-E123 PolarHBondContact O-N 3.26Å
124	Q	91.5	Very high	96.6	Very high	122 Å²	122	77.9 Å²	77.9	57%	0.57	37%	0.374	S	S	*	.	H	α-helix	trans	-99	-28.4	-172.2	-65.3	174.1	63.4	0	0	113	F117 N120 W121 E122	F117-Q124 PolarHBondContact O-NE2 2.88Å; N120-Q124 WeakPolarHBondContact O-CG 3.48Å; N120-Q124 PolarHBondContact O-NE2 2.86Å; W121-Q124 PolarHBondContact O-N 2.89Å; E122-Q124 VanDerWaalsContact C-N 3.31Å
125	V	95.3	Very high	96.6	Very high	16 Å²	16	74.5 Å²	74.5	10%	0.097	36%	0.359	C	S	.	.			trans	-98.3	141.2	-173.5	-56	0	0	0	0	111.6	T72 F76 M113 F117 W121	T72-V125 HydrophobicContact CG2-CB 4.14Å; F76-V125 HydrophobicContact CE2-CG2 4.3Å; F76-V125 HydrophobicContact CZ-CG2 4.29Å; M113-V125 HydrophobicContact CE-CB 4.11Å; M113-V125 HydrophobicContact CE-CG1 3.79Å; M113-V125 HydrophobicContact CE-CG2 3.73Å; F117-V125 HydrophobicContact CD1-CG1 3.75Å; F117-V125 HydrophobicContact CD2-CG1 4.19Å; F117-V125 HydrophobicContact CE1-CG1 3.71Å; F117-V125 HydrophobicContact CE2-CG1 4.17Å; F117-V125 HydrophobicContact CG-CG1 3.98Å; F117-V125 HydrophobicContact CZ-CG1 3.9Å; W121-V125 HydrophobicContact CE3-CG2 3.64Å; W121-V125 HydrophobicContact CZ3-CG2 3.86Å; W121-V125 WeakPolarHBondContact O-CG2 3.5Å; W121-V125 PolarHBondContact O-N 3.32Å; W121-V125 VanDerWaalsContact O-N 3.07Å
126	Q	94.6	Very high	96.7	Very high	172 Å²	172	75.2 Å²	75.2	80%	0.804	37%	0.366	S	S	*	.			trans	-121.2	149	171.6	-64.9	-172	-3.8	0	0	109.6	P128	Q126-P128 VanDerWaalsContact O-CD 3.29Å; Q126-P128 WeakPolarHBondContact O-CD 3.36Å
127	C	97.1	Very high	96.7	Very high	35 Å²	35	76.7 Å²	76.7	24%	0.236	37%	0.371	C	S	.	.			trans	-63.4	121.4	177.2	-171.7	0	0	0	0	110.2	F76 K132	F76-C127 HydrophobicContact CB-CB 4.34Å; F76-C127 HydrophobicContact CD1-CB 3.99Å; F76-C127 HydrophobicContact CD2-CB 3.64Å; F76-C127 HydrophobicContact CE1-CB 4.18Å; F76-C127 VanDerWaalsContact CE2-CA 3.47Å; F76-C127 HydrophobicContact CE2-CB 3.85Å; F76-C127 HydrophobicContact CG-CB 3.72Å; F76-C127 HydrophobicContact CZ-CB 4.12Å; C127-K132 PolarHBondContact SG-N 2.88Å; C127-K132 VanDerWaalsContact SG-N 3.39Å
128	P	95.8	Very high	96.8	Very high	23 Å²	23	74.6 Å²	74.6	15%	0.149	36%	0.362	C	S	.	.			trans	-56.1	151.7	175.2	-25.3	35.1	0	0	0	111.6	T72 A73 Q126 A130 A131 K132 E236	T72-P128 HydrophobicContact CG2-CG 4.46Å; A73-P128 HydrophobicContact CB-CG 4.29Å; Q126-P128 VanDerWaalsContact O-CD 3.29Å; Q126-P128 WeakPolarHBondContact O-CD 3.36Å; P128-A130 VanDerWaalsContact C-N 3.34Å; P128-A130 PolarHBondContact O-N 3.39Å; P128-A131 HydrophobicContact CB-CB 4.22Å; P128-A131 HydrophobicContact CG-CB 4.47Å; P128-A131 PolarHBondContact O-N 3.37Å; P128-K132 WeakPolarHBondContact O-CB 3.45Å; P128-K132 PolarHBondContact O-N 3.06Å; P128-E236 VanDerWaalsContact CB-OE2 3.23Å; P128-E236 WeakPolarHBondContact CB-OE2 3.49Å
129	K	97.8	Very high	96.9	Very high	169 Å²	169	75.2 Å²	75.2	74%	0.735	36%	0.356	S	S	*	.	H	α-helix	trans	-65.8	-38.4	-168.8	-60.8	175.6	179.5	173	0	111.6	K132 K133 E236	K129-K132 PolarHBondContact O-N 3.24Å; K129-K133 PolarHBondContact O-N 3.44Å; K129-E236 WeakPolarHBondContact CB-OE1 3.07Å; K129-E236 PolarHBondContact N-OE1 2.87Å; K129-E236 PolarHBondContact N-OE2 2.92Å
130	A	97.9	Very high	97.1	Very high	8 Å²	8	71.4 Å²	71.4	7%	0.066	33%	0.334	C	S	.	.	H	α-helix	trans	-68	-41.5	176.6	0	0	0	0	0	111.5	P128 K132 K133 Y134 Q232 I233 E236	P128-A130 VanDerWaalsContact C-N 3.34Å; P128-A130 PolarHBondContact O-N 3.39Å; A130-K132 VanDerWaalsContact C-N 3.34Å; A130-K132 PolarHBondContact O-N 3.01Å; A130-K133 PolarHBondContact O-N 2.91Å; A130-Y134 PolarHBondContact O-N 3.22Å; A130-Q232 HydrophobicContact CB-CB 4.3Å; A130-I233 HydrophobicContact CB-CB 4.43Å; A130-I233 HydrophobicContact CB-CG1 3.84Å; A130-E236 HydrophobicContact CB-CB 4.02Å; A130-E236 HydrophobicContact CB-CG 4.5Å; A130-E236 VanDerWaalsContact CB-OE2 3.23Å; A130-E236 WeakPolarHBondContact CB-OE2 3.44Å; A130-E236 PolarHBondContact N-OE1 3.45Å; A130-E236 PolarHBondContact N-OE2 3.37Å
131	A	98.3	Very high	97.3	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-63.4	-39.1	175.7	0	0	0	0	0	112	A73 P128 K133 Y134 V135 I233	A73-A131 HydrophobicContact CB-CB 3.92Å; P128-A131 HydrophobicContact CB-CB 4.22Å; P128-A131 HydrophobicContact CG-CB 4.47Å; P128-A131 PolarHBondContact O-N 3.37Å; A131-K133 VanDerWaalsContact C-N 3.35Å; A131-K133 PolarHBondContact O-N 3.43Å; A131-Y134 WeakPolarHBondContact O-CB 3.27Å; A131-Y134 PolarHBondContact O-N 2.88Å; A131-V135 WeakPolarHBondContact O-CG2 3.34Å; A131-V135 PolarHBondContact O-N 3.21Å; A131-I233 HydrophobicContact CB-CD1 4.25Å; A131-I233 HydrophobicContact CB-CG1 4.37Å
132	K	98.7	Very high	97.3	Very high	115 Å²	115	66.3 Å²	66.3	50%	0.5	31%	0.308	S	S	.	.	H	α-helix	trans	-58.7	-44.2	177.1	-173.4	179.3	179.3	-176.3	0	112.1	C127 P128 K129 A130 Y134 V135 E136	C127-K132 PolarHBondContact SG-N 2.88Å; C127-K132 VanDerWaalsContact SG-N 3.39Å; P128-K132 WeakPolarHBondContact O-CB 3.45Å; P128-K132 PolarHBondContact O-N 3.06Å; K129-K132 PolarHBondContact O-N 3.24Å; A130-K132 VanDerWaalsContact C-N 3.34Å; A130-K132 PolarHBondContact O-N 3.01Å; K132-Y134 PolarHBondContact O-N 3.45Å; K132-V135 PolarHBondContact O-N 3.03Å; K132-E136 WeakPolarHBondContact CE-OE1 3.19Å; K132-E136 VanDerWaalsContact O-CG 3.31Å; K132-E136 WeakPolarHBondContact O-CG 3.29Å; K132-E136 PolarHBondContact O-N 3.16Å
133	K	98.8	Very high	97.5	Very high	113 Å²	113	65 Å²	65	49%	0.491	30%	0.302	S	S	.	.	H	α-helix	trans	-60.1	-37.8	175.1	-66.5	177.3	-178.3	179.4	0	112	K129 A130 A131 R137 Y229	K129-K133 PolarHBondContact O-N 3.44Å; A130-K133 PolarHBondContact O-N 2.91Å; A131-K133 VanDerWaalsContact C-N 3.35Å; A131-K133 PolarHBondContact O-N 3.43Å; K133-R137 PolarHBondContact O-N 3.31Å; K133-R137 VanDerWaalsContact O-N 3.16Å; K133-Y229 HydrophobicContact CB-CD1 4.39Å; K133-Y229 HydrophobicContact CB-CE1 4.03Å
134	Y	98.8	Very high	97.8	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-70.2	-44.6	178.8	-167.8	-160.7	0	0	0	111.6	T77 A130 A131 K132 E136 R137 I138 H152 A226 Y229 I233	T77-Y134 HydrophobicContact CG2-CD1 3.5Å; T77-Y134 VanDerWaalsContact CG2-CD1 3.5Å; T77-Y134 HydrophobicContact CG2-CE1 3.45Å; T77-Y134 VanDerWaalsContact CG2-CE1 3.45Å; T77-Y134 HydrophobicContact CG2-CG 4.49Å; A130-Y134 PolarHBondContact O-N 3.22Å; A131-Y134 WeakPolarHBondContact O-CB 3.27Å; A131-Y134 PolarHBondContact O-N 2.88Å; K132-Y134 PolarHBondContact O-N 3.45Å; Y134-E136 VanDerWaalsContact C-N 3.34Å; Y134-E136 PolarHBondContact O-N 3.05Å; Y134-R137 WeakPolarHBondContact O-CB 3.06Å; Y134-R137 PolarHBondContact O-N 2.93Å; Y134-R137 VanDerWaalsContact O-N 3.12Å; Y134-I138 HydrophobicContact CD1-CD1 4.28Å; Y134-I138 HydrophobicContact CD2-CD1 3.96Å; Y134-I138 HydrophobicContact CD2-CG1 4.05Å; Y134-I138 HydrophobicContact CE1-CD1 4.19Å; Y134-I138 HydrophobicContact CE2-CD1 3.87Å; Y134-I138 HydrophobicContact CE2-CG1 3.88Å; Y134-I138 HydrophobicContact CG-CD1 4.16Å; Y134-I138 WeakPolarHBondContact O-CG1 3.4Å; Y134-I138 PolarHBondContact O-N 3.23Å; Y134-H152 AromaticContact CE2-CE1 3.71Å; Y134-H152 AromaticContact CE2-ND1 3.39Å; Y134-H152 WeakPolarHBondContact CE2-ND1 3.46Å; Y134-H152 AromaticContact CZ-ND1 3.77Å; Y134-H152 PolarHBondContact OH-ND1 3.49Å; Y134-A226 HydrophobicContact CE2-CB 4.37Å; Y134-Y229 HydrophobicContact CD2-CD1 4.25Å; Y134-Y229 AromaticContact CD2-CD2 3.51Å; Y134-Y229 HydrophobicContact CD2-CD2 3.51Å; Y134-Y229 HydrophobicContact CD2-CE2 4.29Å; Y134-Y229 AromaticContact CD2-CG 3.5Å; Y134-Y229 HydrophobicContact CD2-CG 3.5Å; Y134-Y229 AromaticContact CE2-CD2 3.9Å; Y134-Y229 HydrophobicContact CE2-CD2 3.9Å; Y134-Y229 HydrophobicContact CE2-CG 4.2Å; Y134-Y229 HydrophobicContact CG-CD1 4.36Å; Y134-Y229 HydrophobicContact CG-CD2 4.31Å; Y134-Y229 AromaticContact CG-CG 3.84Å; Y134-Y229 HydrophobicContact CG-CG 3.84Å; Y134-I233 HydrophobicContact CD1-CD1 4.08Å
135	V	98.9	Very high	98.1	Very high	22 Å²	22	57.5 Å²	57.5	13%	0.133	27%	0.27	C	S	.	.	H	α-helix	trans	-55.2	-47.5	173.2	164.3	0	0	0	0	111.5	F76 A80 A131 K132 R137 I138 H139	F76-V135 HydrophobicContact CB-CG2 4.11Å; F76-V135 WeakPolarHBondContact O-CG2 3.39Å; A80-V135 HydrophobicContact CB-CB 4.23Å; A80-V135 HydrophobicContact CB-CG1 3.78Å; A80-V135 HydrophobicContact CB-CG2 4.05Å; A131-V135 WeakPolarHBondContact O-CG2 3.34Å; A131-V135 PolarHBondContact O-N 3.21Å; K132-V135 PolarHBondContact O-N 3.03Å; V135-R137 VanDerWaalsContact C-N 3.29Å; V135-R137 PolarHBondContact O-N 3.48Å; V135-I138 PolarHBondContact O-N 2.92Å; V135-H139 PolarHBondContact O-CD2 3.4Å; V135-H139 VanDerWaalsContact O-CD2 3.24Å; V135-H139 PolarHBondContact O-N 3.12Å
136	E	98.9	Very high	98.2	Very high	106 Å²	106	57.7 Å²	57.7	50%	0.495	27%	0.271	S	S	.	.	H	α-helix	trans	-58.6	-40.9	176.6	-74	168.2	178.8	0	0	111.8	K132 Y134 Y140	K132-E136 WeakPolarHBondContact CE-OE1 3.19Å; K132-E136 VanDerWaalsContact O-CG 3.31Å; K132-E136 WeakPolarHBondContact O-CG 3.29Å; K132-E136 PolarHBondContact O-N 3.16Å; Y134-E136 VanDerWaalsContact C-N 3.34Å; Y134-E136 PolarHBondContact O-N 3.05Å; E136-Y140 WeakPolarHBondContact O-CB 3.33Å; E136-Y140 PolarHBondContact O-N 3.18Å
137	R	98.9	Very high	98.4	Very high	45 Å²	45	51.5 Å²	51.5	17%	0.17	24%	0.243	C	C	.	.	H	α-helix	trans	-66.6	-43.4	176	-178.6	59	173.3	173.4	1.3	112.2	K133 Y134 V135 H139 Y140 I141 E222 Y229	K133-R137 PolarHBondContact O-N 3.31Å; K133-R137 VanDerWaalsContact O-N 3.16Å; Y134-R137 WeakPolarHBondContact O-CB 3.06Å; Y134-R137 PolarHBondContact O-N 2.93Å; Y134-R137 VanDerWaalsContact O-N 3.12Å; V135-R137 VanDerWaalsContact C-N 3.29Å; V135-R137 PolarHBondContact O-N 3.48Å; R137-H139 PolarHBondContact O-N 3.48Å; R137-Y140 WeakPolarHBondContact O-CB 3.27Å; R137-Y140 PolarHBondContact O-N 3.35Å; R137-I141 HydrophobicContact CG-CG1 4.33Å; R137-I141 WeakPolarHBondContact O-CG1 3.48Å; R137-I141 PolarHBondContact O-N 3.49Å; R137-E222 IonicContact CZ-OE1 3.45Å; R137-E222 VanDerWaalsContact CZ-OE1 3.3Å; R137-E222 IonicContact CZ-OE2 2.79Å; R137-E222 IonicContact NE-OE1 3.65Å; R137-E222 PolarHBondContact NE-OE1 3.01Å; R137-E222 IonicContact NE-OE2 2.81Å; R137-E222 IonicContact NH2-OE1 3.02Å; R137-E222 PolarHBondContact NH2-OE1 3.32Å; R137-E222 VanDerWaalsContact NH2-OE1 3.09Å; R137-E222 IonicContact NH2-OE2 3.27Å; R137-E222 PolarHBondContact NH2-OE2 3.08Å; R137-Y229 HydrophobicContact CB-CE2 3.84Å; R137-Y229 HydrophobicContact CG-CE2 3.73Å
138	I	98.9	Very high	98.5	Very high	0 Å²	0	50 Å²	50	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-58.8	-48.4	178.7	-71.8	164.6	0	0	0	110.3	T77 A80 L81 E84 Y134 V135 Y140 I141 G142	T77-I138 HydrophobicContact CG2-CD1 3.92Å; A80-I138 HydrophobicContact CB-CB 4.43Å; A80-I138 HydrophobicContact CB-CG2 4.05Å; L81-I138 HydrophobicContact CB-CD1 4.39Å; L81-I138 HydrophobicContact CB-CG2 4.24Å; L81-I138 HydrophobicContact CD1-CG2 4.32Å; E84-I138 HydrophobicContact CB-CG2 4.39Å; E84-I138 HydrophobicContact CG-CG2 4.14Å; Y134-I138 HydrophobicContact CD1-CD1 4.28Å; Y134-I138 HydrophobicContact CD2-CD1 3.96Å; Y134-I138 HydrophobicContact CD2-CG1 4.05Å; Y134-I138 HydrophobicContact CE1-CD1 4.19Å; Y134-I138 HydrophobicContact CE2-CD1 3.87Å; Y134-I138 HydrophobicContact CE2-CG1 3.88Å; Y134-I138 HydrophobicContact CG-CD1 4.16Å; Y134-I138 WeakPolarHBondContact O-CG1 3.4Å; Y134-I138 PolarHBondContact O-N 3.23Å; V135-I138 PolarHBondContact O-N 2.92Å; I138-Y140 PolarHBondContact O-N 3.26Å; I138-I141 PolarHBondContact O-N 3.2Å; I138-G142 PolarHBondContact O-N 2.98Å
139	H	98.9	Very high	98.6	Very high	46 Å²	46	48.9 Å²	48.9	21%	0.213	23%	0.225	C	C	.	.	H	α-helix	trans	-59.3	-44.8	175.1	-75.2	-55.9	0	0	0	112.3	E83 E84 V135 R137 I141 G142 Q143	E83-H139 IonicContact OE2-CE1 3.66Å; E84-H139 IonicContact OE1-CE1 3.69Å; E84-H139 IonicContact OE1-CG 3.71Å; E84-H139 IonicContact OE1-ND1 2.74Å; E84-H139 PolarHBondContact OE1-ND1 2.88Å; V135-H139 PolarHBondContact O-CD2 3.4Å; V135-H139 VanDerWaalsContact O-CD2 3.24Å; V135-H139 PolarHBondContact O-N 3.12Å; R137-H139 PolarHBondContact O-N 3.48Å; H139-I141 VanDerWaalsContact C-N 3.34Å; H139-I141 PolarHBondContact O-N 2.84Å; H139-G142 PolarHBondContact O-N 3.27Å; H139-Q143 VanDerWaalsContact O-CB 3.29Å; H139-Q143 WeakPolarHBondContact O-CB 3.26Å; H139-Q143 VanDerWaalsContact O-CD 3.28Å; H139-Q143 WeakPolarHBondContact O-CG 3.45Å; H139-Q143 PolarHBondContact O-N 3.42Å
140	Y	98.9	Very high	98.7	Very high	97 Å²	97	40.9 Å²	40.9	38%	0.38	19%	0.19	S	C	.	.	H	α-helix	trans	-58	-46.7	175.7	171.3	-85.3	0	0	0	111.7	E136 R137 I138 Q143 N144 E145	E136-Y140 WeakPolarHBondContact O-CB 3.33Å; E136-Y140 PolarHBondContact O-N 3.18Å; R137-Y140 WeakPolarHBondContact O-CB 3.27Å; R137-Y140 PolarHBondContact O-N 3.35Å; I138-Y140 PolarHBondContact O-N 3.26Å; Y140-Q143 PolarHBondContact O-N 2.92Å; Y140-N144 HydrophobicContact CD2-CB 4.44Å; Y140-N144 WeakPolarHBondContact CD2-ND2 3.33Å; Y140-N144 HydrophobicContact CE1-CB 4.48Å; Y140-N144 HydrophobicContact CE2-CB 4.11Å; Y140-N144 WeakPolarHBondContact O-CB 3.3Å; Y140-N144 PolarHBondContact O-N 2.89Å; Y140-N144 PolarHBondContact O-ND2 3.48Å; Y140-E145 HydrophobicContact CE1-CG 4.26Å; Y140-E145 WeakPolarHBondContact CE1-OE1 3.38Å; Y140-E145 PolarHBondContact OH-OE1 3.3Å
141	I	98.9	Very high	98.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-62.8	-50.1	-179.9	-72.1	-58.9	0	0	0	110.7	R137 I138 H139 Q143 N144 E145 L148 L149 E222	R137-I141 HydrophobicContact CG-CG1 4.33Å; R137-I141 WeakPolarHBondContact O-CG1 3.48Å; R137-I141 PolarHBondContact O-N 3.49Å; I138-I141 PolarHBondContact O-N 3.2Å; H139-I141 VanDerWaalsContact C-N 3.34Å; H139-I141 PolarHBondContact O-N 2.84Å; I141-Q143 PolarHBondContact O-N 3.25Å; I141-N144 PolarHBondContact O-N 3.36Å; I141-E145 HydrophobicContact CD1-CB 4.09Å; I141-E145 CarbonylContact O-C 3.58Å; I141-E145 WeakPolarHBondContact O-CA 3.44Å; I141-E145 PolarHBondContact O-N 2.8Å; I141-L148 HydrophobicContact CD1-CB 4.1Å; I141-L148 HydrophobicContact CD1-CD1 4.01Å; I141-L148 HydrophobicContact CG2-CB 4.05Å; I141-L149 HydrophobicContact CG2-CB 4.14Å; I141-L149 HydrophobicContact CG2-CD1 4.33Å; I141-E222 HydrophobicContact CD1-CG 4.41Å
142	G	98.8	Very high	98.7	Very high	2 Å²	2	40.5 Å²	40.5	2%	0.021	19%	0.187	C	C	.	.	H	α-helix	trans	-61.5	-30	179.6	0	0	0	0	0	114.2	E84 N88 I138 H139	E84-G142 VanDerWaalsContact OE2-C 3.28Å; E84-G142 VanDerWaalsContact OE2-CA 3.29Å; E84-G142 WeakPolarHBondContact OE2-CA 3.23Å; N88-G142 PolarHBondContact ND2-O 3.46Å; I138-G142 PolarHBondContact O-N 2.98Å; H139-G142 PolarHBondContact O-N 3.27Å
143	Q	98.7	Very high	98.7	Very high	103 Å²	103	35 Å²	35	48%	0.481	16%	0.163	S	C	.	.	H	α-helix	trans	-90.6	-29.8	-177.7	-67.5	164.9	26.2	0	0	113.8	E84 H139 Y140 I141	E84-Q143 PolarHBondContact OE1-NE2 3.36Å; H139-Q143 VanDerWaalsContact O-CB 3.29Å; H139-Q143 WeakPolarHBondContact O-CB 3.26Å; H139-Q143 VanDerWaalsContact O-CD 3.28Å; H139-Q143 WeakPolarHBondContact O-CG 3.45Å; H139-Q143 PolarHBondContact O-N 3.42Å; Y140-Q143 PolarHBondContact O-N 2.92Å; I141-Q143 PolarHBondContact O-N 3.25Å
144	N	98.7	Very high	98.7	Very high	96 Å²	96	30.4 Å²	30.4	51%	0.513	14%	0.143	S	C	.	.	H	α-helix	trans	-123.3	-28.3	-167.4	-54.6	-83	0	0	0	114	Y140 I141	Y140-N144 HydrophobicContact CD2-CB 4.44Å; Y140-N144 WeakPolarHBondContact CD2-ND2 3.33Å; Y140-N144 HydrophobicContact CE1-CB 4.48Å; Y140-N144 HydrophobicContact CE2-CB 4.11Å; Y140-N144 WeakPolarHBondContact O-CB 3.3Å; Y140-N144 PolarHBondContact O-N 2.89Å; Y140-N144 PolarHBondContact O-ND2 3.48Å; I141-N144 PolarHBondContact O-N 3.36Å
145	E	98.5	Very high	98.6	Very high	40 Å²	40	31.1 Å²	31.1	19%	0.187	15%	0.147	C	C	.	.			trans	-138.2	57.3	-176.1	-63.1	-176.4	-133.5	0	0	110.6	Y140 I141 E147 L148 R218	Y140-E145 HydrophobicContact CE1-CG 4.26Å; Y140-E145 WeakPolarHBondContact CE1-OE1 3.38Å; Y140-E145 PolarHBondContact OH-OE1 3.3Å; I141-E145 HydrophobicContact CD1-CB 4.09Å; I141-E145 CarbonylContact O-C 3.58Å; I141-E145 WeakPolarHBondContact O-CA 3.44Å; I141-E145 PolarHBondContact O-N 2.8Å; E145-E147 PolarHBondContact O-N 3.48Å; E145-E147 VanDerWaalsContact O-N 3.08Å; E145-L148 HydrophobicContact CB-CD1 4.12Å; E145-L148 HydrophobicContact CB-CG 4.2Å; E145-L148 WeakPolarHBondContact O-CB 3.45Å; E145-L148 PolarHBondContact O-N 2.79Å; E145-L148 WeakPolarHBondContact OE2-CD1 3.39Å; E145-R218 IonicContact OE2-CZ 3.09Å; E145-R218 IonicContact OE2-NH2 2.7Å; E145-R218 PolarHBondContact OE2-NH2 3.13Å
146	P	98.2	Very high	98.6	Very high	19 Å²	19	31.2 Å²	31.2	12%	0.123	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-62.6	-21.4	-169.6	27.3	-37	0	0	0	113.7	N88 L148 L149	N88-P146 VanDerWaalsContact OD1-CB 3.23Å; N88-P146 WeakPolarHBondContact OD1-CB 2.98Å; P146-L148 PolarHBondContact O-N 3.13Å; P146-L149 VanDerWaalsContact O-CB 3.26Å; P146-L149 WeakPolarHBondContact O-CB 3.16Å; P146-L149 PolarHBondContact O-N 2.9Å; P146-L149 VanDerWaalsContact O-N 3.13Å
147	E	98.1	Very high	98.5	Very high	43 Å²	43	26.2 Å²	26.2	20%	0.201	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-63.7	-18	171.9	74	-81.1	-167.8	0	0	113.7	A93 E145 V150 T215 R218	A93-E147 HydrophobicContact CB-CB 3.86Å; E145-E147 PolarHBondContact O-N 3.48Å; E145-E147 VanDerWaalsContact O-N 3.08Å; E147-V150 WeakPolarHBondContact O-CG1 3.09Å; E147-T215 HydrophobicContact CB-CG2 4.21Å; E147-T215 HydrophobicContact CG-CG2 3.78Å; E147-R218 IonicContact OE1-CZ 3.54Å; E147-R218 VanDerWaalsContact OE1-CZ 3.27Å; E147-R218 IonicContact OE1-NH1 2.7Å; E147-R218 PolarHBondContact OE1-NH1 2.96Å; E147-R218 IonicContact OE1-NH2 3.6Å; E147-R218 PolarHBondContact OE1-NH2 3.46Å
148	L	98.8	Very high	98.3	Very high	3 Å²	3	24.8 Å²	24.8	2%	0.016	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-93.4	-7.6	176.3	-53.9	-171.8	0	0	0	113	I141 E145 P146 V150 A151 R218 I219 E222	I141-L148 HydrophobicContact CD1-CB 4.1Å; I141-L148 HydrophobicContact CD1-CD1 4.01Å; I141-L148 HydrophobicContact CG2-CB 4.05Å; E145-L148 HydrophobicContact CB-CD1 4.12Å; E145-L148 HydrophobicContact CB-CG 4.2Å; E145-L148 WeakPolarHBondContact O-CB 3.45Å; E145-L148 PolarHBondContact O-N 2.79Å; E145-L148 WeakPolarHBondContact OE2-CD1 3.39Å; P146-L148 PolarHBondContact O-N 3.13Å; L148-V150 PolarHBondContact O-N 2.97Å; L148-A151 WeakPolarHBondContact O-CB 3.36Å; L148-A151 PolarHBondContact O-N 3.19Å; L148-R218 HydrophobicContact CD2-CB 3.7Å; L148-I219 HydrophobicContact CD2-CG1 3.76Å; L148-E222 HydrophobicContact CB-CG 4.27Å; L148-E222 HydrophobicContact CD1-CB 4.45Å; L148-E222 HydrophobicContact CD1-CG 4.46Å
149	L	98.8	Very high	97.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-59.7	-31.6	-178.3	-173.4	61.7	0	0	0	112.5	L81 E84 M85 N88 F94 I141 P146 A151 H152 A153	L81-L149 HydrophobicContact CD1-CD1 3.95Å; E84-L149 HydrophobicContact CB-CD1 4.25Å; M85-L149 HydrophobicContact CG-CD2 4.15Å; N88-L149 HydrophobicContact CB-CD2 4.06Å; F94-L149 HydrophobicContact CD1-CD2 4.3Å; F94-L149 HydrophobicContact CD2-CB 4.05Å; F94-L149 HydrophobicContact CD2-CD2 3.92Å; F94-L149 HydrophobicContact CD2-CG 3.99Å; F94-L149 HydrophobicContact CE1-CD2 4.43Å; F94-L149 HydrophobicContact CE2-CB 4.43Å; F94-L149 HydrophobicContact CE2-CD2 4.05Å; F94-L149 HydrophobicContact CE2-CG 3.96Å; F94-L149 HydrophobicContact CG-CD2 4.07Å; F94-L149 HydrophobicContact CZ-CD2 4.33Å; I141-L149 HydrophobicContact CG2-CB 4.14Å; I141-L149 HydrophobicContact CG2-CD1 4.33Å; P146-L149 VanDerWaalsContact O-CB 3.26Å; P146-L149 WeakPolarHBondContact O-CB 3.16Å; P146-L149 PolarHBondContact O-N 2.9Å; P146-L149 VanDerWaalsContact O-N 3.13Å; L149-A151 PolarHBondContact O-N 3.4Å; L149-H152 PolarHBondContact O-N 2.95Å; L149-H152 VanDerWaalsContact O-N 3.14Å; L149-A153 PolarHBondContact O-N 3.2Å; L149-A153 VanDerWaalsContact O-N 3.15Å
150	V	98.5	Very high	97.7	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-54.2	-33.6	172.7	56.6	0	0	0	0	112.7	L33 L97 E147 L148 H152 A153 Y154 M206 L209 I219	L33-V150 HydrophobicContact CD2-CG2 4.49Å; L97-V150 HydrophobicContact CD1-CB 3.8Å; L97-V150 HydrophobicContact CD1-CG2 3.32Å; E147-V150 WeakPolarHBondContact O-CG1 3.09Å; L148-V150 PolarHBondContact O-N 2.97Å; V150-H152 PolarHBondContact O-N 3.17Å; V150-A153 PolarHBondContact O-N 2.93Å; V150-Y154 WeakPolarHBondContact O-CB 3.41Å; V150-Y154 PolarHBondContact O-N 3.31Å; V150-M206 HydrophobicContact CG2-CG 4.12Å; V150-M206 HydrophobicContact CG2-SD 3.94Å; V150-L209 HydrophobicContact CG2-CD1 4.48Å; V150-I219 HydrophobicContact CG1-CD1 3.65Å; V150-I219 HydrophobicContact CG1-CG1 3.83Å; V150-I219 HydrophobicContact CG1-CG2 3.85Å
151	A	98.8	Very high	97.4	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-61.1	-45.4	178.6	0	0	0	0	0	111.5	L148 L149 T155 I219 E222 A223	L148-A151 WeakPolarHBondContact O-CB 3.36Å; L148-A151 PolarHBondContact O-N 3.19Å; L149-A151 PolarHBondContact O-N 3.4Å; A151-T155 WeakPolarHBondContact O-CB 3.4Å; A151-T155 PolarHBondContact O-N 3.22Å; A151-T155 PolarHBondContact O-OG1 3.13Å; A151-T155 VanDerWaalsContact O-OG1 3.08Å; A151-I219 HydrophobicContact CB-CG2 4.15Å; A151-I219 WeakPolarHBondContact CB-O 3.36Å; A151-E222 HydrophobicContact CB-CB 3.82Å; A151-E222 HydrophobicContact CB-CG 4.05Å; A151-A223 HydrophobicContact CB-CB 4.06Å
152	H	98.8	Very high	96.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-70.8	-44	179.7	-65.8	-65.6	0	0	0	112.3	L81 Y134 L149 V150 Y154 T155 R156 E222	L81-H152 HydrophobicContact CD1-CB 3.79Å; Y134-H152 AromaticContact CE2-CE1 3.71Å; Y134-H152 AromaticContact CE2-ND1 3.39Å; Y134-H152 WeakPolarHBondContact CE2-ND1 3.46Å; Y134-H152 AromaticContact CZ-ND1 3.77Å; Y134-H152 PolarHBondContact OH-ND1 3.49Å; L149-H152 PolarHBondContact O-N 2.95Å; L149-H152 VanDerWaalsContact O-N 3.14Å; V150-H152 PolarHBondContact O-N 3.17Å; H152-Y154 VanDerWaalsContact C-N 3.35Å; H152-Y154 PolarHBondContact O-N 2.48Å; H152-T155 PolarHBondContact O-N 3.15Å; H152-R156 PolarHBondContact O-N 3.01Å; H152-R156 VanDerWaalsContact O-N 3.11Å; H152-E222 IonicContact CE1-OE1 3.82Å; H152-E222 IonicContact NE2-OE1 3.75Å; H152-E222 PolarHBondContact NE2-OE1 3.14Å
153	A	98.6	Very high	95.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61.3	-44.2	176.6	0	0	0	0	0	111.3	F94 L149 V150 Y157 Y202	F94-A153 HydrophobicContact CE2-CB 4.12Å; F94-A153 HydrophobicContact CZ-CB 4.48Å; L149-A153 PolarHBondContact O-N 3.2Å; L149-A153 VanDerWaalsContact O-N 3.15Å; V150-A153 PolarHBondContact O-N 2.93Å; A153-Y157 HydrophobicContact CB-CD2 4.05Å; A153-Y157 HydrophobicContact CB-CE2 4.25Å; A153-Y157 WeakPolarHBondContact O-CB 3.46Å; A153-Y157 VanDerWaalsContact O-CD2 3.27Å; A153-Y157 WeakPolarHBondContact O-CD2 3.48Å; A153-Y157 PolarHBondContact O-N 2.85Å; A153-Y202 WeakPolarHBondContact CB-OH 3.5Å
154	Y	98.1	Very high	94.7	Very high	17 Å²	17	20.9 Å²	20.9	7%	0.067	13%	0.129	C	C	.	.	I	π-helix	trans	-58.3	-55.5	174.7	171	-96.1	0	0	0	111.7	L37 V150 H152 R156 M158 M206	L37-Y154 HydrophobicContact CB-CD1 4.24Å; L37-Y154 HydrophobicContact CB-CE1 3.8Å; L37-Y154 HydrophobicContact CB-CE2 4.18Å; L37-Y154 HydrophobicContact CD1-CD1 4.09Å; L37-Y154 HydrophobicContact CD1-CD2 3.99Å; L37-Y154 HydrophobicContact CD1-CE1 4.45Å; L37-Y154 HydrophobicContact CD1-CE2 4.34Å; L37-Y154 HydrophobicContact CD1-CG 3.85Å; L37-Y154 HydrophobicContact CD2-CD1 3.97Å; L37-Y154 HydrophobicContact CD2-CE1 4.19Å; L37-Y154 HydrophobicContact CG-CD1 4.35Å; L37-Y154 HydrophobicContact CG-CE1 4.39Å; V150-Y154 WeakPolarHBondContact O-CB 3.41Å; V150-Y154 PolarHBondContact O-N 3.31Å; H152-Y154 VanDerWaalsContact C-N 3.35Å; H152-Y154 PolarHBondContact O-N 2.48Å; Y154-R156 PolarHBondContact O-N 3.08Å; Y154-M158 HydrophobicContact CD2-CB 4.32Å; Y154-M158 HydrophobicContact CD2-CG 3.61Å; Y154-M158 HydrophobicContact CE2-CB 4.39Å; Y154-M158 HydrophobicContact CE2-CG 3.97Å; Y154-M158 HydrophobicContact CG-CG 4.35Å; Y154-M158 VanDerWaalsContact O-CB 3.25Å; Y154-M158 WeakPolarHBondContact O-CB 3.46Å; Y154-M158 WeakPolarHBondContact O-CG 3.2Å; Y154-M158 PolarHBondContact O-N 3.37Å; Y154-M206 HydrophobicContact CD2-CE 3.63Å; Y154-M206 HydrophobicContact CD2-SD 3.78Å; Y154-M206 HydrophobicContact CE2-CE 3.96Å; Y154-M206 HydrophobicContact CG-SD 4.41Å
155	T	97.4	Very high	94	Very high	14 Å²	14	20.8 Å²	20.8	9%	0.086	13%	0.125	C	C	.	.	I	π-helix	trans	-59.2	-35.6	-175.5	-67.4	0	0	0	0	112.2	A151 H152 A226 F227	A151-T155 WeakPolarHBondContact O-CB 3.4Å; A151-T155 PolarHBondContact O-N 3.22Å; A151-T155 PolarHBondContact O-OG1 3.13Å; A151-T155 VanDerWaalsContact O-OG1 3.08Å; H152-T155 PolarHBondContact O-N 3.15Å; T155-A226 HydrophobicContact CG2-CB 3.93Å; T155-F227 HydrophobicContact CG2-CD1 4.26Å; T155-F227 HydrophobicContact CG2-CD2 3.89Å; T155-F227 HydrophobicContact CG2-CE1 4.2Å; T155-F227 HydrophobicContact CG2-CE2 3.81Å; T155-F227 HydrophobicContact CG2-CG 4.1Å; T155-F227 HydrophobicContact CG2-CZ 3.98Å
156	R	97.6	Very high	93.5	Very high	25 Å²	25	23.1 Å²	23.1	9%	0.094	14%	0.142	C	C	.	.	I	π-helix	trans	-82.3	-67.9	178.6	-69.6	-53.7	-50.3	174.3	13.2	112.3	Y78 L81 H152 Y154 M158 G159 D160 N230	Y78-R156 HydrophobicContact CE1-CB 4.28Å; Y78-R156 VanDerWaalsContact OH-CZ 3.24Å; Y78-R156 PolarHBondContact OH-NE 3.25Å; Y78-R156 PolarHBondContact OH-NH2 2.86Å; L81-R156 HydrophobicContact CD2-CB 4.27Å; L81-R156 HydrophobicContact CD2-CG 4.26Å; H152-R156 PolarHBondContact O-N 3.01Å; H152-R156 VanDerWaalsContact O-N 3.11Å; Y154-R156 PolarHBondContact O-N 3.08Å; R156-M158 PolarHBondContact O-N 3.12Å; R156-G159 PolarHBondContact O-N 3.34Å; R156-G159 VanDerWaalsContact O-N 3.12Å; R156-D160 IonicContact NH2-OD1 3.3Å; R156-D160 PolarHBondContact NH2-OD1 3.01Å; R156-D160 PolarHBondContact O-N 2.79Å; R156-N230 PolarHBondContact NH1-OD1 2.9Å
157	Y	97.9	Very high	93.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	15%	0.149	C	C	.	.	I	π-helix	trans	-66.7	-35.6	-168.2	-63.7	-61.9	0	0	0	113.6	Y78 L81 E82 M85 L103 R105 A153 G159 D160 L161	Y78-Y157 AromaticContact CD1-CE1 3.87Å; Y78-Y157 HydrophobicContact CD1-CE1 3.87Å; Y78-Y157 AromaticContact CE1-CD1 3.99Å; Y78-Y157 HydrophobicContact CE1-CD1 3.99Å; Y78-Y157 AromaticContact CE1-CE1 3.5Å; Y78-Y157 HydrophobicContact CE1-CE1 3.5Å; Y78-Y157 VanDerWaalsContact CE1-CE1 3.5Å; L81-Y157 HydrophobicContact CD2-CE2 3.94Å; E82-Y157 WeakPolarHBondContact CG-OH 3.45Å; E82-Y157 PolarHBondContact OE1-OH 3.09Å; M85-Y157 HydrophobicContact CE-CE2 3.87Å; M85-Y157 HydrophobicContact SD-CE2 3.65Å; L103-Y157 HydrophobicContact CB-CD1 3.87Å; L103-Y157 HydrophobicContact CB-CE1 3.97Å; L103-Y157 HydrophobicContact CB-CG 4.16Å; L103-Y157 HydrophobicContact CD1-CD2 4.17Å; L103-Y157 HydrophobicContact CD1-CG 4.06Å; L103-Y157 HydrophobicContact CD2-CD1 4.46Å; L103-Y157 HydrophobicContact CD2-CG 4.47Å; L103-Y157 HydrophobicContact CG-CG 4.48Å; L103-Y157 WeakPolarHBondContact O-CE1 3.49Å; R105-Y157 HydrophobicContact CG-CE1 4.12Å; A153-Y157 HydrophobicContact CB-CD2 4.05Å; A153-Y157 HydrophobicContact CB-CE2 4.25Å; A153-Y157 WeakPolarHBondContact O-CB 3.46Å; A153-Y157 VanDerWaalsContact O-CD2 3.27Å; A153-Y157 WeakPolarHBondContact O-CD2 3.48Å; A153-Y157 PolarHBondContact O-N 2.85Å; Y157-G159 VanDerWaalsContact C-N 3.28Å; Y157-G159 PolarHBondContact O-N 3.04Å; Y157-D160 PolarHBondContact O-N 3.38Å; Y157-L161 WeakPolarHBondContact O-CG 3.19Å; Y157-L161 PolarHBondContact O-N 2.84Å
158	M	94.3	Very high	92.9	Very high	16 Å²	16	23.6 Å²	23.6	8%	0.079	14%	0.144	C	C	.	.	I	π-helix	trans	-69.1	-31.2	177.8	-61.5	-62.3	99.5	0	0	111.9	Y154 R156 L161 S162 K199 Y202	Y154-M158 HydrophobicContact CD2-CB 4.32Å; Y154-M158 HydrophobicContact CD2-CG 3.61Å; Y154-M158 HydrophobicContact CE2-CB 4.39Å; Y154-M158 HydrophobicContact CE2-CG 3.97Å; Y154-M158 HydrophobicContact CG-CG 4.35Å; Y154-M158 VanDerWaalsContact O-CB 3.25Å; Y154-M158 WeakPolarHBondContact O-CB 3.46Å; Y154-M158 WeakPolarHBondContact O-CG 3.2Å; Y154-M158 PolarHBondContact O-N 3.37Å; R156-M158 PolarHBondContact O-N 3.12Å; M158-L161 HydrophobicContact CE-CD1 3.89Å; M158-S162 WeakPolarHBondContact O-CB 3.28Å; M158-S162 PolarHBondContact O-N 3.41Å; M158-S162 PolarHBondContact O-OG 3.26Å; M158-K199 HydrophobicContact SD-CB 4.34Å; M158-K199 HydrophobicContact SD-CG 3.9Å; M158-Y202 HydrophobicContact CE-CD1 3.49Å; M158-Y202 VanDerWaalsContact CE-CD1 3.49Å; M158-Y202 HydrophobicContact CE-CD2 3.81Å; M158-Y202 HydrophobicContact CE-CE1 3.96Å; M158-Y202 HydrophobicContact CE-CE2 4.24Å; M158-Y202 HydrophobicContact CE-CG 3.41Å; M158-Y202 VanDerWaalsContact CE-CG 3.41Å; M158-Y202 HydrophobicContact CG-CD1 4.33Å; M158-Y202 HydrophobicContact SD-CD1 3.67Å; M158-Y202 HydrophobicContact SD-CE1 4.37Å; M158-Y202 HydrophobicContact SD-CG 3.97Å
159	G	90.7	Very high	92.6	Very high	41 Å²	41	30.3 Å²	30.3	42%	0.423	17%	0.172	S	C	.	.	H	α-helix	trans	-66.6	-48.2	171.2	0	0	0	0	0	111.7	R156 Y157 L161 S162 G163	R156-G159 PolarHBondContact O-N 3.34Å; R156-G159 VanDerWaalsContact O-N 3.12Å; Y157-G159 VanDerWaalsContact C-N 3.28Å; Y157-G159 PolarHBondContact O-N 3.04Å; G159-L161 VanDerWaalsContact C-N 3.35Å; G159-L161 PolarHBondContact O-N 3.22Å; G159-S162 PolarHBondContact O-N 2.9Å; G159-G163 PolarHBondContact O-N 3.43Å; G159-G163 VanDerWaalsContact O-N 3.11Å
160	D	94.6	Very high	92.4	Very high	16 Å²	16	31 Å²	31	9%	0.086	18%	0.177	C	C	.	.	H	α-helix	trans	-60.4	-42.9	-178.8	-55.8	-36.6	0	0	0	112.4	Y78 R156 Y157 S162 G164 F186 F189	Y78-D160 PolarHBondContact OH-OD1 3.29Å; Y78-D160 VanDerWaalsContact OH-OD1 3.08Å; Y78-D160 PolarHBondContact OH-OD2 3.49Å; R156-D160 IonicContact NH2-OD1 3.3Å; R156-D160 PolarHBondContact NH2-OD1 3.01Å; R156-D160 PolarHBondContact O-N 2.79Å; Y157-D160 PolarHBondContact O-N 3.38Å; D160-S162 PolarHBondContact O-N 2.92Å; D160-G164 VanDerWaalsContact O-CA 3.3Å; D160-G164 WeakPolarHBondContact O-CA 3.47Å; D160-G164 PolarHBondContact O-N 3.23Å; D160-F186 WeakPolarHBondContact OD1-CZ 3.42Å; D160-F189 HydrophobicContact CB-CE2 3.88Å; D160-F189 HydrophobicContact CB-CZ 3.52Å
161	L	92.4	Very high	92.2	Very high	14 Å²	14	31 Å²	31	7%	0.073	18%	0.177	C	C	.	.	H	α-helix	trans	-68.1	-18.2	177.4	-72.1	176	0	0	0	113.6	L103 Y157 M158 G159 F189 V192 A195 F198 K199	L103-L161 HydrophobicContact CD2-CD1 3.97Å; L103-L161 HydrophobicContact CD2-CG 4.46Å; Y157-L161 WeakPolarHBondContact O-CG 3.19Å; Y157-L161 PolarHBondContact O-N 2.84Å; M158-L161 HydrophobicContact CE-CD1 3.89Å; G159-L161 VanDerWaalsContact C-N 3.35Å; G159-L161 PolarHBondContact O-N 3.22Å; L161-F189 HydrophobicContact CD2-CB 4.4Å; L161-F189 HydrophobicContact CD2-CD1 3.69Å; L161-F189 HydrophobicContact CD2-CD2 4.02Å; L161-F189 HydrophobicContact CD2-CE1 3.94Å; L161-F189 HydrophobicContact CD2-CE2 4.24Å; L161-F189 HydrophobicContact CD2-CG 3.77Å; L161-F189 HydrophobicContact CD2-CZ 4.22Å; L161-F189 HydrophobicContact CG-CE1 4.36Å; L161-F189 HydrophobicContact CG-CZ 4.48Å; L161-V192 HydrophobicContact CD2-CG1 4.35Å; L161-A195 HydrophobicContact CB-CB 4.47Å; L161-A195 HydrophobicContact CD2-CB 4.32Å; L161-F198 HydrophobicContact CD1-CD1 3.68Å; L161-F198 HydrophobicContact CD1-CE1 4.32Å; L161-K199 HydrophobicContact CB-CD 3.97Å; L161-K199 HydrophobicContact CB-CG 3.97Å; L161-K199 HydrophobicContact CD1-CG 3.86Å
162	S	82	Confident	92	Very high	67 Å²	67	32.5 Å²	32.5	47%	0.469	18%	0.184	S	C	.	.	H	α-helix	trans	-92.6	-36.2	-178.5	-60.3	0	0	0	0	112.6	M158 G159 D160 K199	M158-S162 WeakPolarHBondContact O-CB 3.28Å; M158-S162 PolarHBondContact O-N 3.41Å; M158-S162 PolarHBondContact O-OG 3.26Å; G159-S162 PolarHBondContact O-N 2.9Å; D160-S162 PolarHBondContact O-N 2.92Å; S162-K199 WeakPolarHBondContact OG-CD 3.29Å; S162-K199 PolarHBondContact OG-NZ 2.81Å
163	G	76.9	Confident	91.9	Very high	25 Å²	25	40.5 Å²	40.5	26%	0.258	21%	0.214	S	C	.	.	H	α-helix	trans	-117.2	-13.7	-174.2	0	0	0	0	0	115.8	G159 Q165 V166 L167	G159-G163 PolarHBondContact O-N 3.43Å; G159-G163 VanDerWaalsContact O-N 3.11Å; G163-Q165 VanDerWaalsContact C-N 3.34Å; G163-Q165 PolarHBondContact O-N 3.43Å; G163-V166 WeakPolarHBondContact O-CB 3.45Å; G163-V166 PolarHBondContact O-N 3.42Å; G163-L167 WeakPolarHBondContact O-CG 3.47Å; G163-L167 PolarHBondContact O-N 3.24Å
164	G	81.3	Confident	91.8	Very high	3 Å²	3	42.1 Å²	42.1	3%	0.031	23%	0.227	C	C	.	.	H	α-helix	trans	-55.2	-43.4	-165.5	0	0	0	0	0	114.3	D160 V166 L167 K168 Y187	D160-G164 VanDerWaalsContact O-CA 3.3Å; D160-G164 WeakPolarHBondContact O-CA 3.47Å; D160-G164 PolarHBondContact O-N 3.23Å; G164-V166 VanDerWaalsContact C-N 3.33Å; G164-V166 PolarHBondContact O-N 3.11Å; G164-L167 PolarHBondContact O-N 2.81Å; G164-K168 WeakPolarHBondContact O-CB 3.33Å; G164-K168 PolarHBondContact O-N 2.76Å; G164-Y187 WeakPolarHBondContact O-CB 3.44Å
165	Q	84	Confident	91.7	Very high	94 Å²	94	42.6 Å²	42.6	44%	0.439	23%	0.231	S	C	.	.	H	α-helix	trans	-66.5	-32.6	179.8	-65	-56.7	-42.7	0	0	113.5	G163 K169 Y187	G163-Q165 VanDerWaalsContact C-N 3.34Å; G163-Q165 PolarHBondContact O-N 3.43Å; Q165-K169 WeakPolarHBondContact O-CG 3.47Å; Q165-K169 PolarHBondContact O-N 2.72Å; Q165-Y187 PolarHBondContact NE2-O 2.91Å
166	V	88.5	Confident	91.6	Very high	89 Å²	89	51 Å²	51	54%	0.539	27%	0.266	S	S	.	.	H	α-helix	trans	-70.7	-47.8	174.5	176.7	0	0	0	0	109.3	G163 G164 K168 K169 V170	G163-V166 WeakPolarHBondContact O-CB 3.45Å; G163-V166 PolarHBondContact O-N 3.42Å; G164-V166 VanDerWaalsContact C-N 3.33Å; G164-V166 PolarHBondContact O-N 3.11Å; V166-K168 VanDerWaalsContact C-N 3.33Å; V166-K168 PolarHBondContact O-N 2.7Å; V166-K169 PolarHBondContact O-N 3.09Å; V166-V170 HydrophobicContact CG1-CG2 4.44Å; V166-V170 WeakPolarHBondContact O-CG2 3.4Å; V166-V170 PolarHBondContact O-N 2.82Å
167	L	89.4	Confident	91.6	Very high	50 Å²	50	50.6 Å²	50.6	26%	0.262	27%	0.266	S	S	.	.	H	α-helix	trans	-61	-41.1	179.7	-60	177	0	0	0	111.8	F57 L58 G163 G164 K169 V170 A171 Y187	F57-L167 HydrophobicContact CD1-CD2 3.73Å; F57-L167 HydrophobicContact CE1-CB 3.84Å; F57-L167 HydrophobicContact CE1-CD2 3.45Å; F57-L167 VanDerWaalsContact CE1-CD2 3.45Å; F57-L167 HydrophobicContact CE1-CG 4.19Å; F57-L167 HydrophobicContact CZ-CB 4.39Å; L58-L167 HydrophobicContact CD2-CD2 3.76Å; G163-L167 WeakPolarHBondContact O-CG 3.47Å; G163-L167 PolarHBondContact O-N 3.24Å; G164-L167 PolarHBondContact O-N 2.81Å; L167-K169 PolarHBondContact O-N 2.7Å; L167-V170 PolarHBondContact O-N 3.23Å; L167-A171 WeakPolarHBondContact O-CB 3.48Å; L167-A171 PolarHBondContact O-N 3.4Å; L167-Y187 HydrophobicContact CB-CD1 3.94Å; L167-Y187 HydrophobicContact CB-CE1 3.65Å; L167-Y187 HydrophobicContact CD1-CD1 4.47Å; L167-Y187 HydrophobicContact CD1-CE1 3.94Å; L167-Y187 HydrophobicContact CG-CE1 4.47Å
168	K	92.7	Very high	91.4	Very high	22 Å²	22	52.7 Å²	52.7	10%	0.096	28%	0.279	C	S	.	.	H	α-helix	trans	-54.1	-53.9	172.7	-178.8	174.8	175.3	175.1	0	111.9	G164 V166 V170 A171 Q172 Y187	G164-K168 WeakPolarHBondContact O-CB 3.33Å; G164-K168 PolarHBondContact O-N 2.76Å; V166-K168 VanDerWaalsContact C-N 3.33Å; V166-K168 PolarHBondContact O-N 2.7Å; K168-V170 VanDerWaalsContact C-N 3.28Å; K168-V170 PolarHBondContact O-N 2.72Å; K168-A171 PolarHBondContact O-N 3.16Å; K168-Q172 HydrophobicContact CG-CG 4.41Å; K168-Q172 WeakPolarHBondContact O-CB 3.42Å; K168-Q172 WeakPolarHBondContact O-CG 3.45Å; K168-Q172 PolarHBondContact O-N 3.34Å; K168-Y187 HydrophobicContact CB-CD2 4.32Å; K168-Y187 HydrophobicContact CB-CG 4.15Å
169	K	93.1	Very high	91.3	Very high	143 Å²	143	57.2 Å²	57.2	62%	0.622	31%	0.313	S	S	*	.	H	α-helix	trans	-61.9	-38.8	-178.7	-73	176.1	-178.5	178.5	0	111.8	Q165 V166 L167 R173	Q165-K169 WeakPolarHBondContact O-CG 3.47Å; Q165-K169 PolarHBondContact O-N 2.72Å; V166-K169 PolarHBondContact O-N 3.09Å; L167-K169 PolarHBondContact O-N 2.7Å; K169-R173 WeakPolarHBondContact O-CB 3.4Å; K169-R173 PolarHBondContact O-N 3.48Å
170	V	93.9	Very high	91.3	Very high	14 Å²	14	60 Å²	60	9%	0.085	32%	0.321	C	S	.	.	H	α-helix	trans	-64.4	-48.7	176.5	171	0	0	0	0	110.7	F57 V166 L167 K168 R173 A174	F57-V170 HydrophobicContact CD1-CG1 4.25Å; F57-V170 HydrophobicContact CE1-CB 4.3Å; F57-V170 HydrophobicContact CE1-CG1 4.04Å; F57-V170 HydrophobicContact CZ-CG1 4.4Å; F57-V170 WeakPolarHBondContact O-CG1 3.38Å; V166-V170 HydrophobicContact CG1-CG2 4.44Å; V166-V170 WeakPolarHBondContact O-CG2 3.4Å; V166-V170 PolarHBondContact O-N 2.82Å; L167-V170 PolarHBondContact O-N 3.23Å; K168-V170 VanDerWaalsContact C-N 3.28Å; K168-V170 PolarHBondContact O-N 2.72Å; V170-R173 PolarHBondContact O-N 2.74Å; V170-A174 VanDerWaalsContact O-CB 3.24Å; V170-A174 WeakPolarHBondContact O-CB 3.42Å; V170-A174 PolarHBondContact O-N 3.11Å
171	A	94.7	Very high	91.1	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-60.1	-49	176.8	0	0	0	0	0	111.9	F57 F67 L167 K168 R173 A174 L175 T184	F57-A171 HydrophobicContact CE2-CB 4.36Å; F57-A171 HydrophobicContact CZ-CB 4.02Å; F67-A171 HydrophobicContact CE2-CB 3.9Å; F67-A171 HydrophobicContact CZ-CB 3.91Å; L167-A171 WeakPolarHBondContact O-CB 3.48Å; L167-A171 PolarHBondContact O-N 3.4Å; K168-A171 PolarHBondContact O-N 3.16Å; A171-R173 VanDerWaalsContact C-N 3.32Å; A171-R173 PolarHBondContact O-N 3.45Å; A171-A174 PolarHBondContact O-N 2.98Å; A171-L175 VanDerWaalsContact O-CB 3.32Å; A171-L175 WeakPolarHBondContact O-CB 3.15Å; A171-L175 PolarHBondContact O-N 3.27Å; A171-T184 HydrophobicContact CB-CG2 4.02Å
172	Q	96.1	Very high	91.2	Very high	32 Å²	32	62.4 Å²	62.4	15%	0.15	33%	0.332	C	S	.	.	H	α-helix	trans	-56.9	-45.4	178.9	-74.7	178.6	-45.1	0	0	111.9	K168 K176 L177 P178 S179 T184	K168-Q172 HydrophobicContact CG-CG 4.41Å; K168-Q172 WeakPolarHBondContact O-CB 3.42Å; K168-Q172 WeakPolarHBondContact O-CG 3.45Å; K168-Q172 PolarHBondContact O-N 3.34Å; Q172-K176 CarbonylContact O-C 3.02Å; Q172-K176 WeakPolarHBondContact O-CA 3.25Å; Q172-K176 PolarHBondContact O-N 2.92Å; Q172-L177 HydrophobicContact CG-CB 4.24Å; Q172-L177 PolarHBondContact O-N 3.14Å; Q172-P178 PolarHBondContact NE2-O 3.49Å; Q172-S179 PolarHBondContact NE2-O 3.23Å; Q172-T184 HydrophobicContact CG-CG2 4.38Å
173	R	95.9	Very high	91.9	Very high	169 Å²	169	59.3 Å²	59.3	64%	0.638	31%	0.31	S	S	*	.	H	α-helix	trans	-67.3	-50	177.7	-177.4	-174	65.2	-173.4	-1.6	112.3	K169 V170 A171	K169-R173 WeakPolarHBondContact O-CB 3.4Å; K169-R173 PolarHBondContact O-N 3.48Å; V170-R173 PolarHBondContact O-N 2.74Å; A171-R173 VanDerWaalsContact C-N 3.32Å; A171-R173 PolarHBondContact O-N 3.45Å
174	A	95.8	Very high	92.9	Very high	33 Å²	33	58.1 Å²	58.1	27%	0.273	30%	0.298	S	S	.	.	H	α-helix	trans	-66.9	-39.9	-173.7	0	0	0	0	0	112.2	G60 I62 V170 A171	G60-A174 WeakPolarHBondContact O-CB 3.47Å; I62-A174 HydrophobicContact CG2-CB 3.79Å; V170-A174 VanDerWaalsContact O-CB 3.24Å; V170-A174 WeakPolarHBondContact O-CB 3.42Å; V170-A174 PolarHBondContact O-N 3.11Å; A171-A174 PolarHBondContact O-N 2.98Å
175	L	96	Very high	93.6	Very high	27 Å²	27	60.2 Å²	60.2	14%	0.141	31%	0.307	C	S	.	.	H	α-helix	trans	-100.5	2.6	-174.9	-58.1	177.6	0	0	0	113.3	I62 K64 F67 A171 L177	I62-L175 HydrophobicContact CG2-CD2 4.07Å; I62-L175 HydrophobicContact CG2-CG 4.2Å; I62-L175 WeakPolarHBondContact O-CD2 3.47Å; K64-L175 HydrophobicContact CB-CD2 4.18Å; F67-L175 HydrophobicContact CB-CD1 3.55Å; F67-L175 HydrophobicContact CD1-CD1 3.51Å; F67-L175 HydrophobicContact CD2-CD1 3.96Å; F67-L175 HydrophobicContact CE1-CD1 4.14Å; F67-L175 HydrophobicContact CG-CD1 3.39Å; A171-L175 VanDerWaalsContact O-CB 3.32Å; A171-L175 WeakPolarHBondContact O-CB 3.15Å; A171-L175 PolarHBondContact O-N 3.27Å; L175-L177 VanDerWaalsContact C-N 3.28Å; L175-L177 HydrophobicContact CB-CD1 4.15Å; L175-L177 HydrophobicContact CB-CD2 4.37Å; L175-L177 HydrophobicContact CB-CG 3.86Å; L175-L177 HydrophobicContact CD1-CD1 4.27Å; L175-L177 PolarHBondContact O-N 2.92Å
176	K	96.6	Very high	94.3	Very high	190 Å²	190	56 Å²	56	83%	0.826	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	42.6	-176.8	-54	178.5	-178.5	177.3	0	112.4	Q172	Q172-K176 CarbonylContact O-C 3.02Å; Q172-K176 WeakPolarHBondContact O-CA 3.25Å; Q172-K176 PolarHBondContact O-N 2.92Å
177	L	96.4	Very high	94.6	Very high	17 Å²	17	52.8 Å²	52.8	9%	0.089	27%	0.266	C	S	.	.			trans	-78.5	154.2	178.5	-57.1	169.3	0	0	0	111	Y115 F116 Q172 L175 T184	Y115-L177 HydrophobicContact CE1-CD2 3.59Å; F116-L177 HydrophobicContact CE1-CD2 4.12Å; F116-L177 HydrophobicContact CZ-CD1 4.16Å; F116-L177 HydrophobicContact CZ-CD2 4.19Å; Q172-L177 HydrophobicContact CG-CB 4.24Å; Q172-L177 PolarHBondContact O-N 3.14Å; L175-L177 VanDerWaalsContact C-N 3.28Å; L175-L177 HydrophobicContact CB-CD1 4.15Å; L175-L177 HydrophobicContact CB-CD2 4.37Å; L175-L177 HydrophobicContact CB-CG 3.86Å; L175-L177 HydrophobicContact CD1-CD1 4.27Å; L175-L177 PolarHBondContact O-N 2.92Å; L177-T184 HydrophobicContact CD1-CG2 3.58Å
178	P	95.1	Very high	94.8	Very high	45 Å²	45	53.2 Å²	53.2	29%	0.292	27%	0.268	S	S	.	.			trans	-57.2	143.2	178.4	-24.5	34.6	0	0	0	112.8	Y115 Q172 T180 G181 E182	Y115-P178 VanDerWaalsContact OH-CD 3.26Å; Y115-P178 WeakPolarHBondContact OH-CD 3.3Å; Q172-P178 PolarHBondContact NE2-O 3.49Å; P178-T180 VanDerWaalsContact CB-OG1 3.29Å; P178-T180 WeakPolarHBondContact CB-OG1 3.49Å; P178-T180 PolarHBondContact O-N 3.07Å; P178-G181 PolarHBondContact O-N 2.94Å; P178-E182 WeakPolarHBondContact CB-OE2 3.49Å; P178-E182 HydrophobicContact CG-CB 4.49Å
179	S	90.9	Very high	94.9	Very high	111 Å²	111	53.1 Å²	53.1	78%	0.776	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-23.3	176.1	51.1	0	0	0	0	112.9	Q172 G181	Q172-S179 PolarHBondContact NE2-O 3.23Å; S179-G181 PolarHBondContact O-N 3.44Å
180	T	90.3	Very high	94.9	Very high	98 Å²	98	53 Å²	53	60%	0.601	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-22.4	175	33.7	0	0	0	0	113	P178 E182	P178-T180 VanDerWaalsContact CB-OG1 3.29Å; P178-T180 WeakPolarHBondContact CB-OG1 3.49Å; P178-T180 PolarHBondContact O-N 3.07Å; T180-E182 WeakPolarHBondContact CB-OE2 3.16Å; T180-E182 VanDerWaalsContact OG1-CD 3.24Å; T180-E182 PolarHBondContact OG1-OE1 3.32Å; T180-E182 PolarHBondContact OG1-OE2 3.24Å
181	G	91.3	Very high	95	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.287	C	S	.	.			trans	111.7	-4.1	166	0	0	0	0	0	115.5	P178 S179 G183 T184 Q185	P178-G181 PolarHBondContact O-N 2.94Å; S179-G181 PolarHBondContact O-N 3.44Å; G181-G183 PolarHBondContact O-N 3.2Å; G181-T184 CarbonylContact O-C 3.47Å; G181-T184 PolarHBondContact O-N 3.17Å; G181-T184 PolarHBondContact O-OG1 3.37Å; G181-Q185 VanDerWaalsContact C-NE2 3.26Å; G181-Q185 PolarHBondContact O-N 3.05Å; G181-Q185 PolarHBondContact O-NE2 3.18Å
182	E	95.1	Very high	95	Very high	82 Å²	82	57.4 Å²	57.4	38%	0.383	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	131.8	175.4	-58.8	87.1	160.8	0	0	111	Y115 P178 T180 T184	Y115-E182 HydrophobicContact CD2-CB 3.56Å; Y115-E182 HydrophobicContact CE2-CB 3.62Å; Y115-E182 HydrophobicContact CG-CB 4.39Å; P178-E182 WeakPolarHBondContact CB-OE2 3.49Å; P178-E182 HydrophobicContact CG-CB 4.49Å; T180-E182 WeakPolarHBondContact CB-OE2 3.16Å; T180-E182 VanDerWaalsContact OG1-CD 3.24Å; T180-E182 PolarHBondContact OG1-OE1 3.32Å; T180-E182 PolarHBondContact OG1-OE2 3.24Å; E182-T184 VanDerWaalsContact C-N 3.3Å
183	G	96.4	Very high	94.9	Very high	1 Å²	1	64.1 Å²	64.1	1%	0.01	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.5	5.7	-174.2	0	0	0	0	0	115	D112 Y115 F116 G181	D112-G183 VanDerWaalsContact OD1-CA 3.29Å; D112-G183 WeakPolarHBondContact OD1-CA 3.45Å; D112-G183 PolarHBondContact OD1-N 2.93Å; Y115-G183 VanDerWaalsContact CD1-CA 3.49Å; F116-G183 VanDerWaalsContact CE2-O 3.24Å; F116-G183 WeakPolarHBondContact CE2-O 3.37Å; F116-G183 WeakPolarHBondContact CZ-O 3.35Å; G181-G183 PolarHBondContact O-N 3.2Å
184	T	97.1	Very high	94.8	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.317	C	S	.	.			trans	-144	24.6	175.2	55.2	0	0	0	0	113.7	F67 D112 A171 Q172 L177 G181 E182 F186 Y187	F67-T184 HydrophobicContact CZ-CG2 4.38Å; D112-T184 PolarHBondContact OD1-N 2.99Å; A171-T184 HydrophobicContact CB-CG2 4.02Å; Q172-T184 HydrophobicContact CG-CG2 4.38Å; L177-T184 HydrophobicContact CD1-CG2 3.58Å; G181-T184 CarbonylContact O-C 3.47Å; G181-T184 PolarHBondContact O-N 3.17Å; G181-T184 PolarHBondContact O-OG1 3.37Å; E182-T184 VanDerWaalsContact C-N 3.3Å; T184-F186 PolarHBondContact O-N 3.21Å; T184-Y187 HydrophobicContact CG2-CD2 4.33Å; T184-Y187 HydrophobicContact CG2-CE2 4.45Å; T184-Y187 PolarHBondContact O-N 3.36Å
185	Q	97.3	Very high	94.7	Very high	47 Å²	47	59.5 Å²	59.5	22%	0.22	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-61.6	-31.3	179.5	-64.7	-61.9	-27.1	0	0	112	A108 K111 D112 G181 Y187 L188	A108-Q185 HydrophobicContact CB-CB 4Å; K111-Q185 HydrophobicContact CB-CG 4.43Å; D112-Q185 VanDerWaalsContact CG-N 3.28Å; D112-Q185 WeakPolarHBondContact OD1-CB 3.39Å; D112-Q185 PolarHBondContact OD1-N 3.2Å; D112-Q185 PolarHBondContact OD2-N 3.37Å; G181-Q185 VanDerWaalsContact C-NE2 3.26Å; G181-Q185 PolarHBondContact O-N 3.05Å; G181-Q185 PolarHBondContact O-NE2 3.18Å; Q185-Y187 PolarHBondContact O-N 2.82Å; Q185-Y187 VanDerWaalsContact O-N 3.08Å; Q185-L188 PolarHBondContact O-N 2.82Å
186	F	98	Very high	94.6	Very high	7 Å²	7	61 Å²	61	3%	0.031	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-46.6	-40.6	173.8	168.8	-104	0	0	0	113.3	L74 Y78 R105 L109 D112 D160 T184 L188	L74-F186 HydrophobicContact CD1-CD1 4.1Å; L74-F186 HydrophobicContact CD1-CE1 3.89Å; L74-F186 HydrophobicContact CD1-CE2 4.43Å; L74-F186 HydrophobicContact CD1-CG 4.49Å; L74-F186 HydrophobicContact CD1-CZ 4.08Å; L74-F186 HydrophobicContact CD2-CZ 4.13Å; Y78-F186 HydrophobicContact CD2-CE2 4.19Å; Y78-F186 HydrophobicContact CE1-CE2 4.23Å; Y78-F186 AromaticContact CE2-CE2 3.67Å; Y78-F186 HydrophobicContact CE2-CE2 3.67Å; Y78-F186 HydrophobicContact CE2-CZ 4.04Å; Y78-F186 AromaticContact CZ-CE2 3.66Å; Y78-F186 AromaticContact CZ-CZ 3.98Å; R105-F186 HydrophobicContact CB-CD2 3.88Å; R105-F186 HydrophobicContact CB-CE2 4.01Å; R105-F186 WeakPolarHBondContact CD-O 3.42Å; R105-F186 HydrophobicContact CG-CD2 3.88Å; R105-F186 HydrophobicContact CG-CE2 3.71Å; R105-F186 PolarHBondContact NH1-O 3.1Å; L109-F186 HydrophobicContact CD1-CD2 3.75Å; L109-F186 HydrophobicContact CD1-CE2 4.16Å; L109-F186 HydrophobicContact CD2-CB 3.84Å; L109-F186 HydrophobicContact CD2-CD2 3.67Å; L109-F186 HydrophobicContact CD2-CG 3.9Å; L109-F186 HydrophobicContact CG-CB 4.17Å; L109-F186 HydrophobicContact CG-CD2 3.66Å; L109-F186 HydrophobicContact CG-CG 4.27Å; D112-F186 WeakPolarHBondContact OD2-CB 3.27Å; D112-F186 PolarHBondContact OD2-N 3.41Å; D160-F186 WeakPolarHBondContact OD1-CZ 3.42Å; T184-F186 PolarHBondContact O-N 3.21Å; F186-L188 VanDerWaalsContact C-N 3.29Å; F186-L188 PolarHBondContact O-N 3.08Å
187	Y	95.6	Very high	94.6	Very high	21 Å²	21	57.9 Å²	57.9	8%	0.082	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-83.2	-1.8	-175.9	-57.9	-73.8	0	0	0	114	F67 G164 Q165 L167 K168 T184 Q185	F67-Y187 HydrophobicContact CE2-CE2 4.43Å; F67-Y187 HydrophobicContact CZ-CE2 4.04Å; G164-Y187 WeakPolarHBondContact O-CB 3.44Å; Q165-Y187 PolarHBondContact NE2-O 2.91Å; L167-Y187 HydrophobicContact CB-CD1 3.94Å; L167-Y187 HydrophobicContact CB-CE1 3.65Å; L167-Y187 HydrophobicContact CD1-CD1 4.47Å; L167-Y187 HydrophobicContact CD1-CE1 3.94Å; L167-Y187 HydrophobicContact CG-CE1 4.47Å; K168-Y187 HydrophobicContact CB-CD2 4.32Å; K168-Y187 HydrophobicContact CB-CG 4.15Å; T184-Y187 HydrophobicContact CG2-CD2 4.33Å; T184-Y187 HydrophobicContact CG2-CE2 4.45Å; T184-Y187 PolarHBondContact O-N 3.36Å; Q185-Y187 PolarHBondContact O-N 2.82Å; Q185-Y187 VanDerWaalsContact O-N 3.08Å
188	L	92.9	Very high	94.7	Very high	59 Å²	59	58.1 Å²	58.1	31%	0.309	31%	0.313	S	S	.	.			trans	-104.1	122.8	179.3	-178.5	61.6	0	0	0	110.3	R105 Q185 F186	R105-L188 PolarHBondContact NH1-O 3.18Å; Q185-L188 PolarHBondContact O-N 2.82Å; F186-L188 VanDerWaalsContact C-N 3.29Å; F186-L188 PolarHBondContact O-N 3.08Å
189	F	94.8	Very high	94.7	Very high	19 Å²	19	56.1 Å²	56.1	8%	0.083	30%	0.299	C	S	.	.			trans	-106.4	84.3	175.1	-68.7	-102.8	0	0	0	108.1	E102 L103 D160 L161 N191 V192	E102-F189 WeakPolarHBondContact O-CD1 3.45Å; L103-F189 HydrophobicContact CD2-CD1 4.34Å; L103-F189 HydrophobicContact CD2-CE1 4.09Å; D160-F189 HydrophobicContact CB-CE2 3.88Å; D160-F189 HydrophobicContact CB-CZ 3.52Å; L161-F189 HydrophobicContact CD2-CB 4.4Å; L161-F189 HydrophobicContact CD2-CD1 3.69Å; L161-F189 HydrophobicContact CD2-CD2 4.02Å; L161-F189 HydrophobicContact CD2-CE1 3.94Å; L161-F189 HydrophobicContact CD2-CE2 4.24Å; L161-F189 HydrophobicContact CD2-CG 3.77Å; L161-F189 HydrophobicContact CD2-CZ 4.22Å; L161-F189 HydrophobicContact CG-CE1 4.36Å; L161-F189 HydrophobicContact CG-CZ 4.48Å; F189-N191 PolarHBondContact O-N 3.47Å; F189-V192 HydrophobicContact CB-CB 3.91Å; F189-V192 HydrophobicContact CB-CG2 4.04Å; F189-V192 HydrophobicContact CD1-CG2 4.42Å; F189-V192 PolarHBondContact O-N 3.22Å
190	E	92.4	Very high	95	Very high	140 Å²	140	56.4 Å²	56.4	65%	0.654	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-26.1	-173.8	63.4	-172.7	140.8	0	0	113.8
191	N	96.3	Very high	95.4	Very high	89 Å²	89	55 Å²	55	48%	0.476	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	17	179.2	-63.3	-38.9	0	0	0	113	M101 E102 F189	M101-N191 WeakPolarHBondContact O-CB 3.22Å; M101-N191 PolarHBondContact O-ND2 2.85Å; E102-N191 HydrophobicContact CG-CB 4.42Å; F189-N191 PolarHBondContact O-N 3.47Å
192	V	95.7	Very high	95.7	Very high	19 Å²	19	55 Å²	55	12%	0.115	28%	0.277	C	S	.	.			trans	-126.9	100.4	175.7	-179	0	0	0	0	110	E102 L161 F189 F198	E102-V192 HydrophobicContact CB-CG2 3.81Å; E102-V192 HydrophobicContact CG-CG2 4.5Å; L161-V192 HydrophobicContact CD2-CG1 4.35Å; F189-V192 HydrophobicContact CB-CB 3.91Å; F189-V192 HydrophobicContact CB-CG2 4.04Å; F189-V192 HydrophobicContact CD1-CG2 4.42Å; F189-V192 PolarHBondContact O-N 3.22Å; V192-F198 HydrophobicContact CG1-CB 3.61Å; V192-F198 HydrophobicContact CG1-CD2 4.19Å; V192-F198 HydrophobicContact CG1-CG 3.92Å; V192-F198 HydrophobicContact CG2-CD2 4.1Å; V192-F198 HydrophobicContact CG2-CE2 4.37Å; V192-F198 HydrophobicContact CG2-CG 4.26Å
193	D	92.9	Very high	95.8	Very high	173 Å²	173	53.5 Å²	53.5	93%	0.925	27%	0.268	S	S	*	.	S	Bend	trans	-63.9	-45	-179.4	-66.5	-38.2	0	0	0	112.7
194	N	94.5	Very high	95.9	Very high	69 Å²	69	56.3 Å²	56.3	37%	0.369	29%	0.291	S	S	.	.			trans	-132.5	105.3	-178.1	-172.7	-49	0	0	0	110.8	Q196 Q197 F198	N194-Q196 PolarHBondContact O-N 3.17Å; N194-Q196 WeakPolarHBondContact OD1-CA 3.35Å; N194-Q196 WeakPolarHBondContact OD1-CB 3.39Å; N194-Q196 PolarHBondContact OD1-N 3.5Å; N194-Q197 HydrophobicContact CB-CB 4.1Å; N194-Q197 HydrophobicContact CB-CG 4.13Å; N194-Q197 PolarHBondContact O-N 3.44Å; N194-Q197 PolarHBondContact OD1-N 2.79Å; N194-F198 PolarHBondContact O-N 2.86Å
195	A	93.3	Very high	95.9	Very high	35 Å²	35	62 Å²	62	29%	0.289	31%	0.313	S	S	.	.	H	α-helix	trans	-58.4	-31.3	-178.6	0	0	0	0	0	113.6	L161 K199	L161-A195 HydrophobicContact CB-CB 4.47Å; L161-A195 HydrophobicContact CD2-CB 4.32Å; A195-K199 WeakPolarHBondContact O-CB 3.28Å; A195-K199 WeakPolarHBondContact O-CE 3.43Å; A195-K199 VanDerWaalsContact O-CG 3.28Å; A195-K199 WeakPolarHBondContact O-CG 3.49Å; A195-K199 PolarHBondContact O-N 2.99Å
196	Q	93.7	Very high	95.9	Very high	58 Å²	58	59.9 Å²	59.9	27%	0.271	30%	0.302	S	S	.	.	H	α-helix	trans	-73.8	-45.1	179.4	-62.7	-58.3	-21.4	0	0	112	N194 F198 K199 Q200 M316	N194-Q196 PolarHBondContact O-N 3.17Å; N194-Q196 WeakPolarHBondContact OD1-CA 3.35Å; N194-Q196 WeakPolarHBondContact OD1-CB 3.39Å; N194-Q196 PolarHBondContact OD1-N 3.5Å; Q196-F198 VanDerWaalsContact C-N 3.29Å; Q196-F198 PolarHBondContact O-N 3.11Å; Q196-K199 PolarHBondContact O-N 2.79Å; Q196-Q200 WeakPolarHBondContact O-CG 3.29Å; Q196-Q200 PolarHBondContact O-N 2.93Å; Q196-M316 HydrophobicContact CG-SD 3.93Å; Q196-M316 VanDerWaalsContact NE2-CE 3.27Å; Q196-M316 PolarHBondContact NE2-SD 3.33Å; Q196-M316 PolarHBondContact OE1-SD 3.4Å
197	Q	96.9	Very high	95.9	Very high	126 Å²	126	61.5 Å²	61.5	59%	0.589	31%	0.312	S	S	*	.	H	α-helix	trans	-62.1	-40.8	175.1	-68.4	177.6	-10.1	0	0	110.9	N194 Q200 L201	N194-Q197 HydrophobicContact CB-CB 4.1Å; N194-Q197 HydrophobicContact CB-CG 4.13Å; N194-Q197 PolarHBondContact O-N 3.44Å; N194-Q197 PolarHBondContact OD1-N 2.79Å; Q197-Q200 PolarHBondContact O-N 3.43Å; Q197-L201 PolarHBondContact O-N 3.05Å
198	F	97.6	Very high	95.9	Very high	21 Å²	21	64.1 Å²	64.1	9%	0.092	34%	0.338	C	S	.	.	H	α-helix	trans	-65.1	-41.8	177.1	-165.3	-83.1	0	0	0	112.4	F99 E102 L103 L161 V192 N194 Q196 Q200 L201 Y202	F99-F198 HydrophobicContact CB-CZ 4.02Å; F99-F198 HydrophobicContact CD1-CE2 4.32Å; F99-F198 AromaticContact CD1-CZ 3.98Å; F99-F198 HydrophobicContact CD1-CZ 3.98Å; F99-F198 HydrophobicContact CD2-CZ 4.23Å; F99-F198 AromaticContact CG-CZ 3.82Å; F99-F198 HydrophobicContact CG-CZ 3.82Å; E102-F198 HydrophobicContact CB-CE2 3.66Å; E102-F198 HydrophobicContact CB-CZ 3.71Å; E102-F198 HydrophobicContact CG-CE2 3.76Å; E102-F198 HydrophobicContact CG-CZ 4.24Å; L103-F198 HydrophobicContact CD1-CE1 3.96Å; L103-F198 HydrophobicContact CD1-CZ 4.35Å; L103-F198 HydrophobicContact CD2-CD1 4.24Å; L103-F198 HydrophobicContact CD2-CE1 3.56Å; L103-F198 HydrophobicContact CD2-CZ 4.14Å; L103-F198 HydrophobicContact CG-CE1 3.82Å; L103-F198 HydrophobicContact CG-CZ 4.02Å; L161-F198 HydrophobicContact CD1-CD1 3.68Å; L161-F198 HydrophobicContact CD1-CE1 4.32Å; V192-F198 HydrophobicContact CG1-CB 3.61Å; V192-F198 HydrophobicContact CG1-CD2 4.19Å; V192-F198 HydrophobicContact CG1-CG 3.92Å; V192-F198 HydrophobicContact CG2-CD2 4.1Å; V192-F198 HydrophobicContact CG2-CE2 4.37Å; V192-F198 HydrophobicContact CG2-CG 4.26Å; N194-F198 PolarHBondContact O-N 2.86Å; Q196-F198 VanDerWaalsContact C-N 3.29Å; Q196-F198 PolarHBondContact O-N 3.11Å; F198-Q200 VanDerWaalsContact C-N 3.33Å; F198-Q200 PolarHBondContact O-N 3.29Å; F198-L201 WeakPolarHBondContact O-CB 3.37Å; F198-L201 PolarHBondContact O-N 3.04Å; F198-Y202 HydrophobicContact CE1-CD2 4.23Å; F198-Y202 WeakPolarHBondContact O-CB 3.28Å; F198-Y202 PolarHBondContact O-N 3.38Å
199	K	96.1	Very high	96	Very high	3 Å²	3	61.9 Å²	61.9	1%	0.013	33%	0.326	C	S	.	.	H	α-helix	trans	-62.1	-39.6	174	-76.7	-175.4	-68.3	170.8	0	112.5	M158 L161 S162 A195 Q196 Y202 R203	M158-K199 HydrophobicContact SD-CB 4.34Å; M158-K199 HydrophobicContact SD-CG 3.9Å; L161-K199 HydrophobicContact CB-CD 3.97Å; L161-K199 HydrophobicContact CB-CG 3.97Å; L161-K199 HydrophobicContact CD1-CG 3.86Å; S162-K199 WeakPolarHBondContact OG-CD 3.29Å; S162-K199 PolarHBondContact OG-NZ 2.81Å; A195-K199 WeakPolarHBondContact O-CB 3.28Å; A195-K199 WeakPolarHBondContact O-CE 3.43Å; A195-K199 VanDerWaalsContact O-CG 3.28Å; A195-K199 WeakPolarHBondContact O-CG 3.49Å; A195-K199 PolarHBondContact O-N 2.99Å; Q196-K199 PolarHBondContact O-N 2.79Å; K199-Y202 PolarHBondContact O-N 2.87Å; K199-R203 VanDerWaalsContact O-CG 3.3Å; K199-R203 WeakPolarHBondContact O-CG 3.33Å; K199-R203 PolarHBondContact O-N 3.05Å
200	Q	97.1	Very high	95.9	Very high	117 Å²	117	69.1 Å²	69.1	55%	0.547	37%	0.365	S	S	.	.	H	α-helix	trans	-63.2	-44.6	174.6	-72	174.5	-4.7	0	0	111.6	Q196 Q197 F198 R203 A204	Q196-Q200 WeakPolarHBondContact O-CG 3.29Å; Q196-Q200 PolarHBondContact O-N 2.93Å; Q197-Q200 PolarHBondContact O-N 3.43Å; F198-Q200 VanDerWaalsContact C-N 3.33Å; F198-Q200 PolarHBondContact O-N 3.29Å; Q200-R203 PolarHBondContact O-N 3.45Å; Q200-A204 PolarHBondContact O-N 3.47Å
201	L	98.1	Very high	96	Very high	70 Å²	70	63.7 Å²	63.7	37%	0.366	34%	0.341	S	S	.	.	H	α-helix	trans	-57.3	-49.3	173	172.5	64.1	0	0	0	111.3	F99 Q197 F198 R203 A204 R205	F99-L201 HydrophobicContact CE1-CD2 4.5Å; Q197-L201 PolarHBondContact O-N 3.05Å; F198-L201 WeakPolarHBondContact O-CB 3.37Å; F198-L201 PolarHBondContact O-N 3.04Å; L201-R203 VanDerWaalsContact C-N 3.34Å; L201-R203 PolarHBondContact O-N 3.08Å; L201-A204 PolarHBondContact O-N 3.03Å; L201-R205 HydrophobicContact CD1-CG 4.31Å; L201-R205 WeakPolarHBondContact O-CG 3.43Å; L201-R205 PolarHBondContact O-N 3.37Å
202	Y	98.3	Very high	95.8	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-60.5	-43.1	-179	-164.3	-85	0	0	0	111.7	L97 F99 L103 A153 M158 F198 K199 R205 M206	L97-Y202 HydrophobicContact CB-CE2 4.2Å; L97-Y202 HydrophobicContact CD2-CD1 4.34Å; L97-Y202 HydrophobicContact CD2-CD2 4.48Å; L97-Y202 HydrophobicContact CD2-CE1 4.04Å; L97-Y202 HydrophobicContact CD2-CE2 4.19Å; F99-Y202 AromaticContact CD2-CD2 3.96Å; F99-Y202 HydrophobicContact CD2-CD2 3.96Å; F99-Y202 HydrophobicContact CD2-CE2 4.07Å; F99-Y202 HydrophobicContact CE2-CD2 4.08Å; F99-Y202 HydrophobicContact CE2-CE2 4.45Å; L103-Y202 HydrophobicContact CD1-CD2 3.93Å; L103-Y202 HydrophobicContact CD1-CE2 3.58Å; A153-Y202 WeakPolarHBondContact CB-OH 3.5Å; M158-Y202 HydrophobicContact CE-CD1 3.49Å; M158-Y202 VanDerWaalsContact CE-CD1 3.49Å; M158-Y202 HydrophobicContact CE-CD2 3.81Å; M158-Y202 HydrophobicContact CE-CE1 3.96Å; M158-Y202 HydrophobicContact CE-CE2 4.24Å; M158-Y202 HydrophobicContact CE-CG 3.41Å; M158-Y202 VanDerWaalsContact CE-CG 3.41Å; M158-Y202 HydrophobicContact CG-CD1 4.33Å; M158-Y202 HydrophobicContact SD-CD1 3.67Å; M158-Y202 HydrophobicContact SD-CE1 4.37Å; M158-Y202 HydrophobicContact SD-CG 3.97Å; F198-Y202 HydrophobicContact CE1-CD2 4.23Å; F198-Y202 WeakPolarHBondContact O-CB 3.28Å; F198-Y202 PolarHBondContact O-N 3.38Å; K199-Y202 PolarHBondContact O-N 2.87Å; Y202-R205 WeakPolarHBondContact O-CB 3.44Å; Y202-R205 PolarHBondContact O-N 3.13Å; Y202-M206 HydrophobicContact CD1-CE 4.08Å; Y202-M206 HydrophobicContact CD1-CG 3.99Å; Y202-M206 HydrophobicContact CD1-SD 3.95Å; Y202-M206 HydrophobicContact CE1-CE 4.38Å; Y202-M206 HydrophobicContact CE1-CG 3.86Å; Y202-M206 HydrophobicContact CE1-SD 3.67Å; Y202-M206 WeakPolarHBondContact O-CG 3.37Å; Y202-M206 PolarHBondContact O-N 2.98Å
203	R	97.6	Very high	95.7	Very high	50 Å²	50	65 Å²	65	19%	0.189	35%	0.347	C	S	.	.	H	α-helix	trans	-61.2	-45.2	174	-69.9	176.4	-165.8	141.5	-12.4	112.5	K199 Q200 L201 R205 M206 N207 M316	K199-R203 VanDerWaalsContact O-CG 3.3Å; K199-R203 WeakPolarHBondContact O-CG 3.33Å; K199-R203 PolarHBondContact O-N 3.05Å; Q200-R203 PolarHBondContact O-N 3.45Å; L201-R203 VanDerWaalsContact C-N 3.34Å; L201-R203 PolarHBondContact O-N 3.08Å; R203-R205 VanDerWaalsContact C-N 3.26Å; R203-R205 PolarHBondContact O-N 2.86Å; R203-M206 HydrophobicContact CB-CE 4.31Å; R203-M206 HydrophobicContact CG-CE 3.92Å; R203-M206 PolarHBondContact O-N 3.26Å; R203-M206 VanDerWaalsContact O-N 3.16Å; R203-N207 VanDerWaalsContact O-CG 3.23Å; R203-N207 PolarHBondContact O-N 3.27Å; R203-N207 PolarHBondContact O-ND2 3.14Å; R203-N207 PolarHBondContact O-OD1 3.25Å; R203-M316 VanDerWaalsContact CZ-O 3.27Å; R203-M316 PolarHBondContact NH1-O 3.08Å; R203-M316 PolarHBondContact NH2-O 2.73Å
204	A	97.8	Very high	95.9	Very high	59 Å²	59	64 Å²	64	49%	0.488	33%	0.334	S	S	.	.	H	α-helix	trans	-60	-38	176	0	0	0	0	0	112	Q200 L201 N207 A208	Q200-A204 PolarHBondContact O-N 3.47Å; L201-A204 PolarHBondContact O-N 3.03Å; A204-N207 PolarHBondContact O-N 2.82Å; A204-A208 PolarHBondContact O-N 3.28Å
205	R	98.1	Very high	96	Very high	121 Å²	121	61.4 Å²	61.4	46%	0.457	32%	0.321	S	S	.	.	H	α-helix	trans	-66.9	-40.4	174.3	-66.5	-66.5	-176.8	-176	2.6	112.8	P96 L97 F99 L201 Y202 R203 N207 A208	P96-R205 HydrophobicContact CB-CB 4.49Å; P96-R205 WeakPolarHBondContact O-CB 3.37Å; L97-R205 HydrophobicContact CD2-CB 3.65Å; F99-R205 HydrophobicContact CE2-CG 4.37Å; F99-R205 HydrophobicContact CZ-CG 4.15Å; L201-R205 HydrophobicContact CD1-CG 4.31Å; L201-R205 WeakPolarHBondContact O-CG 3.43Å; L201-R205 PolarHBondContact O-N 3.37Å; Y202-R205 WeakPolarHBondContact O-CB 3.44Å; Y202-R205 PolarHBondContact O-N 3.13Å; R203-R205 VanDerWaalsContact C-N 3.26Å; R203-R205 PolarHBondContact O-N 2.86Å; R205-N207 VanDerWaalsContact C-N 3.33Å; R205-N207 PolarHBondContact O-N 3.35Å; R205-A208 PolarHBondContact O-N 3.36Å
206	M	97	Very high	96.2	Very high	1 Å²	1	61 Å²	61	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-62.6	-41.1	174.6	-70.3	-169.1	-60.1	0	0	111.6	L33 L37 L97 V150 Y154 Y202 R203 A208 L209	L33-M206 HydrophobicContact CD2-CB 4.4Å; L37-M206 HydrophobicContact CD1-SD 4.06Å; L97-M206 HydrophobicContact CD1-CG 3.85Å; L97-M206 HydrophobicContact CD2-CB 4.37Å; L97-M206 HydrophobicContact CD2-CG 3.54Å; L97-M206 HydrophobicContact CG-CG 4.35Å; V150-M206 HydrophobicContact CG2-CG 4.12Å; V150-M206 HydrophobicContact CG2-SD 3.94Å; Y154-M206 HydrophobicContact CD2-CE 3.63Å; Y154-M206 HydrophobicContact CD2-SD 3.78Å; Y154-M206 HydrophobicContact CE2-CE 3.96Å; Y154-M206 HydrophobicContact CG-SD 4.41Å; Y202-M206 HydrophobicContact CD1-CE 4.08Å; Y202-M206 HydrophobicContact CD1-CG 3.99Å; Y202-M206 HydrophobicContact CD1-SD 3.95Å; Y202-M206 HydrophobicContact CE1-CE 4.38Å; Y202-M206 HydrophobicContact CE1-CG 3.86Å; Y202-M206 HydrophobicContact CE1-SD 3.67Å; Y202-M206 WeakPolarHBondContact O-CG 3.37Å; Y202-M206 PolarHBondContact O-N 2.98Å; R203-M206 HydrophobicContact CB-CE 4.31Å; R203-M206 HydrophobicContact CG-CE 3.92Å; R203-M206 PolarHBondContact O-N 3.26Å; R203-M206 VanDerWaalsContact O-N 3.16Å; M206-A208 PolarHBondContact O-N 3.11Å; M206-L209 WeakPolarHBondContact O-CB 3.45Å; M206-L209 WeakPolarHBondContact O-CG 3.4Å; M206-L209 PolarHBondContact O-N 3.27Å
207	N	96.7	Very high	96.4	Very high	42 Å²	42	62.8 Å²	62.8	23%	0.225	32%	0.321	C	S	.	.	H	α-helix	trans	-69.7	-22.4	-179.5	-63.6	-12.6	0	0	0	112.6	D32 L33 S34 R203 A204 R205 L209	D32-N207 HydrophobicContact CB-CB 4.46Å; D32-N207 WeakPolarHBondContact CB-ND2 3.43Å; D32-N207 PolarHBondContact OD2-ND2 3.07Å; L33-N207 PolarHBondContact N-OD1 2.76Å; S34-N207 WeakPolarHBondContact CB-OD1 3.5Å; S34-N207 PolarHBondContact N-OD1 2.93Å; S34-N207 PolarHBondContact OG-ND2 3.29Å; S34-N207 PolarHBondContact OG-OD1 3.45Å; R203-N207 VanDerWaalsContact O-CG 3.23Å; R203-N207 PolarHBondContact O-N 3.27Å; R203-N207 PolarHBondContact O-ND2 3.14Å; R203-N207 PolarHBondContact O-OD1 3.25Å; A204-N207 PolarHBondContact O-N 2.82Å; R205-N207 VanDerWaalsContact C-N 3.33Å; R205-N207 PolarHBondContact O-N 3.35Å; N207-L209 VanDerWaalsContact C-N 3.31Å
208	A	95.7	Very high	96.5	Very high	76 Å²	76	60.1 Å²	60.1	63%	0.628	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-4.1	176.2	0	0	0	0	0	114.1	A204 R205 M206 D210	A204-A208 PolarHBondContact O-N 3.28Å; R205-A208 PolarHBondContact O-N 3.36Å; M206-A208 PolarHBondContact O-N 3.11Å; A208-D210 PolarHBondContact O-N 2.95Å
209	L	94.9	Very high	96.5	Very high	12 Å²	12	59.1 Å²	59.1	6%	0.063	30%	0.301	C	S	.	.	S	Bend	trans	-68.7	127.9	174.9	-65.9	172.5	0	0	0	110.4	L33 P96 L97 V150 M206 N207 L211	L33-L209 HydrophobicContact CD2-CD1 4.32Å; P96-L209 HydrophobicContact CB-CD2 4.28Å; P96-L209 HydrophobicContact CG-CD2 3.78Å; L97-L209 HydrophobicContact CD1-CD1 4.08Å; V150-L209 HydrophobicContact CG2-CD1 4.48Å; M206-L209 WeakPolarHBondContact O-CB 3.45Å; M206-L209 WeakPolarHBondContact O-CG 3.4Å; M206-L209 PolarHBondContact O-N 3.27Å; N207-L209 VanDerWaalsContact C-N 3.31Å; L209-L211 HydrophobicContact CB-CD1 3.71Å; L209-L211 HydrophobicContact CB-CG 3.79Å; L209-L211 HydrophobicContact CD1-CD1 4.07Å; L209-L211 PolarHBondContact O-N 3.25Å
210	D	93.6	Very high	96.7	Very high	171 Å²	171	60 Å²	60	91%	0.914	31%	0.307	S	S	*	.			trans	-76.7	87.1	177.4	-172.1	17.6	0	0	0	110.6	A208	A208-D210 PolarHBondContact O-N 2.95Å
211	L	93.2	Very high	96.7	Very high	26 Å²	26	59.6 Å²	59.6	14%	0.136	30%	0.304	C	S	.	.			trans	-127.8	133.9	-173.7	-58.6	173.3	0	0	0	111.2	L33 A93 L209 T215 K216 I219	L33-L211 HydrophobicContact CD2-CD1 3.95Å; A93-L211 HydrophobicContact CB-CD2 4.43Å; L209-L211 HydrophobicContact CB-CD1 3.71Å; L209-L211 HydrophobicContact CB-CG 3.79Å; L209-L211 HydrophobicContact CD1-CD1 4.07Å; L209-L211 PolarHBondContact O-N 3.25Å; L211-T215 HydrophobicContact CD2-CG2 3.98Å; L211-K216 HydrophobicContact CB-CG 4.18Å; L211-I219 HydrophobicContact CD1-CD1 3.57Å
212	N	93.4	Very high	96.8	Very high	101 Å²	101	56.3 Å²	56.3	54%	0.54	29%	0.287	S	S	.	.			trans	-71.8	160.4	169.9	66.6	49.9	0	0	0	111.6	K214 T215 K216	N212-K214 VanDerWaalsContact C-N 3.33Å; N212-K214 PolarHBondContact O-N 2.8Å; N212-K214 PolarHBondContact OD1-N 3.19Å; N212-T215 WeakPolarHBondContact O-CB 3.3Å; N212-T215 PolarHBondContact O-N 3.27Å; N212-T215 WeakPolarHBondContact OD1-CB 3.46Å; N212-T215 PolarHBondContact OD1-N 2.84Å; N212-T215 PolarHBondContact OD1-OG1 2.92Å; N212-K216 PolarHBondContact O-N 3.06Å; N212-K216 VanDerWaalsContact O-N 3.11Å
213	M	93.9	Very high	96.8	Very high	35 Å²	35	56.3 Å²	56.3	17%	0.172	29%	0.287	C	S	.	.	H	α-helix	trans	-59.4	-40.1	-175	-168.8	57.8	-162.6	0	0	113.4	M28 L36 T215 K216 E217	M28-M213 HydrophobicContact CB-CE 4.47Å; L36-M213 HydrophobicContact CD1-CE 3.77Å; L36-M213 HydrophobicContact CD1-SD 4.2Å; L36-M213 HydrophobicContact CD2-CE 4.18Å; M213-T215 PolarHBondContact O-N 3.44Å; M213-K216 WeakPolarHBondContact O-CB 3.28Å; M213-K216 PolarHBondContact O-N 3.25Å; M213-K216 VanDerWaalsContact O-N 3.11Å; M213-K216 HydrophobicContact SD-CB 4.31Å; M213-K216 HydrophobicContact SD-CD 4.1Å; M213-E217 HydrophobicContact CE-CG 4.01Å; M213-E217 WeakPolarHBondContact O-CG 3.43Å; M213-E217 PolarHBondContact O-N 3.41Å
214	K	96.1	Very high	96.9	Very high	151 Å²	151	56.1 Å²	56.1	66%	0.657	29%	0.29	S	S	*	.	H	α-helix	trans	-59	-35.5	176.2	-176.3	-179.7	179.2	-176.5	0	112.3	N212 R218	N212-K214 VanDerWaalsContact C-N 3.33Å; N212-K214 PolarHBondContact O-N 2.8Å; N212-K214 PolarHBondContact OD1-N 3.19Å; K214-R218 WeakPolarHBondContact O-CG 3.38Å; K214-R218 PolarHBondContact O-N 2.94Å; K214-R218 VanDerWaalsContact O-N 3.09Å
215	T	97.2	Very high	96.9	Very high	15 Å²	15	57 Å²	57	9%	0.092	28%	0.283	C	S	.	.	H	α-helix	trans	-73	-41.1	177.2	-52.6	0	0	0	0	110.8	E147 L211 N212 M213 E217 R218 I219	E147-T215 HydrophobicContact CB-CG2 4.21Å; E147-T215 HydrophobicContact CG-CG2 3.78Å; L211-T215 HydrophobicContact CD2-CG2 3.98Å; N212-T215 WeakPolarHBondContact O-CB 3.3Å; N212-T215 PolarHBondContact O-N 3.27Å; N212-T215 WeakPolarHBondContact OD1-CB 3.46Å; N212-T215 PolarHBondContact OD1-N 2.84Å; N212-T215 PolarHBondContact OD1-OG1 2.92Å; M213-T215 PolarHBondContact O-N 3.44Å; T215-E217 VanDerWaalsContact C-N 3.31Å; T215-E217 PolarHBondContact O-N 3.45Å; T215-R218 PolarHBondContact O-N 2.97Å; T215-I219 HydrophobicContact CG2-CD1 4.14Å; T215-I219 VanDerWaalsContact O-CG1 3.31Å; T215-I219 WeakPolarHBondContact O-CG1 3.45Å; T215-I219 PolarHBondContact O-N 3.29Å
216	K	97.6	Very high	96.9	Very high	26 Å²	26	51.2 Å²	51.2	11%	0.113	26%	0.261	C	S	.	.	H	α-helix	trans	-57.9	-43.6	172.7	-62.8	-178.2	177.3	179.9	0	111.6	A31 L33 L36 L211 N212 M213 I219 V220	A31-K216 PolarHBondContact O-NZ 2.94Å; L33-K216 HydrophobicContact CD1-CB 4.1Å; L33-K216 HydrophobicContact CD1-CG 4.18Å; L36-K216 HydrophobicContact CD1-CB 3.89Å; L36-K216 HydrophobicContact CD1-CD 3.89Å; L36-K216 HydrophobicContact CD1-CG 4.48Å; L211-K216 HydrophobicContact CB-CG 4.18Å; N212-K216 PolarHBondContact O-N 3.06Å; N212-K216 VanDerWaalsContact O-N 3.11Å; M213-K216 WeakPolarHBondContact O-CB 3.28Å; M213-K216 PolarHBondContact O-N 3.25Å; M213-K216 VanDerWaalsContact O-N 3.11Å; M213-K216 HydrophobicContact SD-CB 4.31Å; M213-K216 HydrophobicContact SD-CD 4.1Å; K216-I219 WeakPolarHBondContact O-CB 3.46Å; K216-I219 PolarHBondContact O-N 2.95Å; K216-V220 WeakPolarHBondContact O-CG2 3.46Å; K216-V220 PolarHBondContact O-N 3.18Å
217	E	97.8	Very high	97	Very high	96 Å²	96	52.2 Å²	52.2	45%	0.449	27%	0.265	S	S	.	.	H	α-helix	trans	-62	-45.7	175.7	-70.1	169.1	178.8	0	0	112.2	M213 T215 I219 V220 E221	M213-E217 HydrophobicContact CE-CG 4.01Å; M213-E217 WeakPolarHBondContact O-CG 3.43Å; M213-E217 PolarHBondContact O-N 3.41Å; T215-E217 VanDerWaalsContact C-N 3.31Å; T215-E217 PolarHBondContact O-N 3.45Å; E217-I219 VanDerWaalsContact C-N 3.29Å; E217-I219 PolarHBondContact O-N 3.38Å; E217-V220 PolarHBondContact O-N 3.16Å; E217-E221 PolarHBondContact O-N 3.5Å
218	R	98.6	Very high	97.1	Very high	70 Å²	70	54.1 Å²	54.1	26%	0.264	27%	0.273	S	S	.	.	H	α-helix	trans	-59.6	-39.1	174.5	-74.2	170.6	62.7	-144.2	1.2	112.2	E145 E147 L148 K214 T215 E221 E222	E145-R218 IonicContact OE2-CZ 3.09Å; E145-R218 IonicContact OE2-NH2 2.7Å; E145-R218 PolarHBondContact OE2-NH2 3.13Å; E147-R218 IonicContact OE1-CZ 3.54Å; E147-R218 VanDerWaalsContact OE1-CZ 3.27Å; E147-R218 IonicContact OE1-NH1 2.7Å; E147-R218 PolarHBondContact OE1-NH1 2.96Å; E147-R218 IonicContact OE1-NH2 3.6Å; E147-R218 PolarHBondContact OE1-NH2 3.46Å; L148-R218 HydrophobicContact CD2-CB 3.7Å; K214-R218 WeakPolarHBondContact O-CG 3.38Å; K214-R218 PolarHBondContact O-N 2.94Å; K214-R218 VanDerWaalsContact O-N 3.09Å; T215-R218 PolarHBondContact O-N 2.97Å; R218-E221 PolarHBondContact O-N 3.3Å; R218-E222 WeakPolarHBondContact O-CB 3.45Å; R218-E222 PolarHBondContact O-N 3.23Å
219	I	98.8	Very high	97.2	Very high	0 Å²	0	53 Å²	53	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-62.4	-43.9	176	-72.7	162	0	0	0	110.7	L33 L37 L148 V150 A151 L211 T215 K216 E217 E222 A223	L33-I219 HydrophobicContact CD1-CB 4.3Å; L33-I219 HydrophobicContact CD1-CD1 4.35Å; L33-I219 HydrophobicContact CD1-CG2 3.89Å; L33-I219 HydrophobicContact CD2-CD1 4.12Å; L37-I219 HydrophobicContact CD1-CG2 4.2Å; L37-I219 HydrophobicContact CD2-CG2 3.97Å; L37-I219 HydrophobicContact CG-CG2 4.29Å; L148-I219 HydrophobicContact CD2-CG1 3.76Å; V150-I219 HydrophobicContact CG1-CD1 3.65Å; V150-I219 HydrophobicContact CG1-CG1 3.83Å; V150-I219 HydrophobicContact CG1-CG2 3.85Å; A151-I219 HydrophobicContact CB-CG2 4.15Å; A151-I219 WeakPolarHBondContact CB-O 3.36Å; L211-I219 HydrophobicContact CD1-CD1 3.57Å; T215-I219 HydrophobicContact CG2-CD1 4.14Å; T215-I219 VanDerWaalsContact O-CG1 3.31Å; T215-I219 WeakPolarHBondContact O-CG1 3.45Å; T215-I219 PolarHBondContact O-N 3.29Å; K216-I219 WeakPolarHBondContact O-CB 3.46Å; K216-I219 PolarHBondContact O-N 2.95Å; E217-I219 VanDerWaalsContact C-N 3.29Å; E217-I219 PolarHBondContact O-N 3.38Å; I219-E222 PolarHBondContact O-N 3.38Å; I219-A223 WeakPolarHBondContact O-CB 3.4Å; I219-A223 PolarHBondContact O-N 2.91Å
220	V	98.6	Very high	97.3	Very high	22 Å²	22	52.9 Å²	52.9	13%	0.133	25%	0.252	C	S	.	.	H	α-helix	trans	-65.3	-41	176.8	174.8	0	0	0	0	111.8	L36 L37 K216 E217 A223 N224	L36-V220 HydrophobicContact CB-CG2 3.93Å; L37-V220 HydrophobicContact CD2-CG2 4.25Å; L37-V220 HydrophobicContact CG-CG2 4.32Å; K216-V220 WeakPolarHBondContact O-CG2 3.46Å; K216-V220 PolarHBondContact O-N 3.18Å; E217-V220 PolarHBondContact O-N 3.16Å; V220-A223 PolarHBondContact O-N 2.76Å; V220-N224 PolarHBondContact O-N 3.01Å; V220-N224 VanDerWaalsContact O-N 3.08Å; V220-N224 PolarHBondContact O-ND2 3.11Å
221	E	98.8	Very high	97.4	Very high	107 Å²	107	45.5 Å²	45.5	50%	0.5	21%	0.212	S	C	.	.	H	α-helix	trans	-62.1	-44.5	175	-167.3	-165.6	144	0	0	111.1	E217 R218 A223 N224 K225	E217-E221 PolarHBondContact O-N 3.5Å; R218-E221 PolarHBondContact O-N 3.3Å; E221-A223 VanDerWaalsContact C-N 3.33Å; E221-A223 PolarHBondContact O-N 2.88Å; E221-N224 WeakPolarHBondContact O-CB 3.31Å; E221-N224 PolarHBondContact O-N 3.25Å; E221-K225 PolarHBondContact O-N 3.11Å; E221-K225 VanDerWaalsContact OE1-CE 3.28Å; E221-K225 WeakPolarHBondContact OE1-CE 3.41Å; E221-K225 IonicContact OE1-NZ 3.95Å; E221-K225 PolarHBondContact OE1-NZ 2.62Å
222	E	98.9	Very high	97.7	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.009	22%	0.219	C	C	.	.	H	α-helix	trans	-66.5	-35.5	177.9	-164.8	62.1	-155.9	0	0	112	R137 I141 L148 A151 H152 R218 I219 N224 K225 A226	R137-E222 IonicContact CZ-OE1 3.45Å; R137-E222 VanDerWaalsContact CZ-OE1 3.3Å; R137-E222 IonicContact CZ-OE2 2.79Å; R137-E222 IonicContact NE-OE1 3.65Å; R137-E222 PolarHBondContact NE-OE1 3.01Å; R137-E222 IonicContact NE-OE2 2.81Å; R137-E222 IonicContact NH2-OE1 3.02Å; R137-E222 PolarHBondContact NH2-OE1 3.32Å; R137-E222 VanDerWaalsContact NH2-OE1 3.09Å; R137-E222 IonicContact NH2-OE2 3.27Å; R137-E222 PolarHBondContact NH2-OE2 3.08Å; I141-E222 HydrophobicContact CD1-CG 4.41Å; L148-E222 HydrophobicContact CB-CG 4.27Å; L148-E222 HydrophobicContact CD1-CB 4.45Å; L148-E222 HydrophobicContact CD1-CG 4.46Å; A151-E222 HydrophobicContact CB-CB 3.82Å; A151-E222 HydrophobicContact CB-CG 4.05Å; H152-E222 IonicContact CE1-OE1 3.82Å; H152-E222 IonicContact NE2-OE1 3.75Å; H152-E222 PolarHBondContact NE2-OE1 3.14Å; R218-E222 WeakPolarHBondContact O-CB 3.45Å; R218-E222 PolarHBondContact O-N 3.23Å; I219-E222 PolarHBondContact O-N 3.38Å; E222-N224 VanDerWaalsContact C-N 3.31Å; E222-N224 PolarHBondContact O-N 3.26Å; E222-K225 CarbonylContact O-C 3.56Å; E222-K225 WeakPolarHBondContact O-CB 3.41Å; E222-K225 PolarHBondContact O-N 3.42Å; E222-K225 VanDerWaalsContact O-N 3.13Å; E222-K225 WeakPolarHBondContact OE2-CD 3.5Å; E222-K225 IonicContact OE2-NZ 2.76Å; E222-A226 PolarHBondContact O-N 3.03Å
223	A	98.8	Very high	97.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64.3	-38.7	175.1	0	0	0	0	0	111.1	L37 T41 A151 I219 V220 E221 A226 F227	L37-A223 HydrophobicContact CD2-CB 3.47Å; L37-A223 VanDerWaalsContact CD2-CB 3.47Å; T41-A223 HydrophobicContact CG2-CB 3.61Å; A151-A223 HydrophobicContact CB-CB 4.06Å; I219-A223 WeakPolarHBondContact O-CB 3.4Å; I219-A223 PolarHBondContact O-N 2.91Å; V220-A223 PolarHBondContact O-N 2.76Å; E221-A223 VanDerWaalsContact C-N 3.33Å; E221-A223 PolarHBondContact O-N 2.88Å; A223-A226 WeakPolarHBondContact O-CB 3.37Å; A223-A226 PolarHBondContact O-N 3.45Å; A223-F227 WeakPolarHBondContact O-CD2 3.49Å; A223-F227 PolarHBondContact O-N 3.48Å
224	N	98.8	Very high	98	Very high	45 Å²	45	43 Å²	43	24%	0.241	20%	0.196	C	C	.	.	H	α-helix	trans	-62.7	-40.3	171.5	-83	-77.7	0	0	0	112.2	G40 A44 V220 E221 E222 A226 F227 E228	G40-N224 PolarHBondContact O-ND2 3.04Å; G40-N224 PolarHBondContact O-OD1 3.38Å; A44-N224 VanDerWaalsContact CB-OD1 3.28Å; A44-N224 WeakPolarHBondContact CB-OD1 3.47Å; V220-N224 PolarHBondContact O-N 3.01Å; V220-N224 VanDerWaalsContact O-N 3.08Å; V220-N224 PolarHBondContact O-ND2 3.11Å; E221-N224 WeakPolarHBondContact O-CB 3.31Å; E221-N224 PolarHBondContact O-N 3.25Å; E222-N224 VanDerWaalsContact C-N 3.31Å; E222-N224 PolarHBondContact O-N 3.26Å; N224-A226 VanDerWaalsContact C-N 3.34Å; N224-F227 PolarHBondContact O-N 3.06Å; N224-E228 PolarHBondContact O-N 3.09Å
225	K	98.7	Very high	97.9	Very high	77 Å²	77	39.4 Å²	39.4	34%	0.335	18%	0.184	S	C	.	.	H	α-helix	trans	-63	-40.4	172.5	-69	171.6	-171.2	155.4	0	111.5	E221 E222 F227 E228 Y229	E221-K225 PolarHBondContact O-N 3.11Å; E221-K225 VanDerWaalsContact OE1-CE 3.28Å; E221-K225 WeakPolarHBondContact OE1-CE 3.41Å; E221-K225 IonicContact OE1-NZ 3.95Å; E221-K225 PolarHBondContact OE1-NZ 2.62Å; E222-K225 CarbonylContact O-C 3.56Å; E222-K225 WeakPolarHBondContact O-CB 3.41Å; E222-K225 PolarHBondContact O-N 3.42Å; E222-K225 VanDerWaalsContact O-N 3.13Å; E222-K225 WeakPolarHBondContact OE2-CD 3.5Å; E222-K225 IonicContact OE2-NZ 2.76Å; K225-F227 VanDerWaalsContact C-N 3.34Å; K225-F227 PolarHBondContact O-N 3.36Å; K225-E228 WeakPolarHBondContact O-CB 3.34Å; K225-E228 PolarHBondContact O-N 2.91Å; K225-E228 VanDerWaalsContact O-N 3.14Å; K225-Y229 HydrophobicContact CB-CE2 4.49Å; K225-Y229 WeakPolarHBondContact O-CD2 3.32Å; K225-Y229 PolarHBondContact O-N 3.25Å
226	A	98.7	Very high	97.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-58.7	-44.1	173.8	0	0	0	0	0	111.4	Y134 T155 E222 A223 N224 E228 Y229 N230	Y134-A226 HydrophobicContact CE2-CB 4.37Å; T155-A226 HydrophobicContact CG2-CB 3.93Å; E222-A226 PolarHBondContact O-N 3.03Å; A223-A226 WeakPolarHBondContact O-CB 3.37Å; A223-A226 PolarHBondContact O-N 3.45Å; N224-A226 VanDerWaalsContact C-N 3.34Å; A226-E228 VanDerWaalsContact C-N 3.35Å; A226-E228 PolarHBondContact O-N 3.02Å; A226-Y229 PolarHBondContact O-N 3.46Å; A226-N230 PolarHBondContact O-N 2.96Å; A226-N230 VanDerWaalsContact O-N 3.11Å; A226-N230 PolarHBondContact O-ND2 3.47Å
227	F	97.9	Very high	97.8	Very high	22 Å²	22	40.2 Å²	40.2	10%	0.096	19%	0.187	C	C	.	.	H	α-helix	trans	-61	-41.4	172.8	-83.9	-77.2	0	0	0	112.5	T41 A44 H45 A48 T155 A223 N224 K225 Y229 N230 M231	T41-F227 HydrophobicContact CG2-CD2 4.21Å; T41-F227 HydrophobicContact CG2-CE2 4.03Å; A44-F227 HydrophobicContact CB-CB 3.69Å; A44-F227 HydrophobicContact CB-CD2 4.09Å; A44-F227 HydrophobicContact CB-CG 3.88Å; H45-F227 HydrophobicContact CB-CE1 4.03Å; H45-F227 HydrophobicContact CB-CZ 4.08Å; A48-F227 HydrophobicContact CB-CD1 4.1Å; T155-F227 HydrophobicContact CG2-CD1 4.26Å; T155-F227 HydrophobicContact CG2-CD2 3.89Å; T155-F227 HydrophobicContact CG2-CE1 4.2Å; T155-F227 HydrophobicContact CG2-CE2 3.81Å; T155-F227 HydrophobicContact CG2-CG 4.1Å; T155-F227 HydrophobicContact CG2-CZ 3.98Å; A223-F227 WeakPolarHBondContact O-CD2 3.49Å; A223-F227 PolarHBondContact O-N 3.48Å; N224-F227 PolarHBondContact O-N 3.06Å; K225-F227 VanDerWaalsContact C-N 3.34Å; K225-F227 PolarHBondContact O-N 3.36Å; F227-Y229 PolarHBondContact O-N 3.49Å; F227-N230 WeakPolarHBondContact O-CB 3.32Å; F227-N230 PolarHBondContact O-N 2.87Å; F227-N230 VanDerWaalsContact O-N 3.16Å; F227-M231 WeakPolarHBondContact O-CG 3.48Å; F227-M231 PolarHBondContact O-N 3.29Å
228	E	98.3	Very high	97.6	Very high	83 Å²	83	37.9 Å²	37.9	39%	0.388	18%	0.178	S	C	.	.	H	α-helix	trans	-60.6	-43.2	175.8	178.8	55.1	-142.5	0	0	112.2	N224 K225 A226 N230 M231 Q232	N224-E228 PolarHBondContact O-N 3.09Å; K225-E228 WeakPolarHBondContact O-CB 3.34Å; K225-E228 PolarHBondContact O-N 2.91Å; K225-E228 VanDerWaalsContact O-N 3.14Å; A226-E228 VanDerWaalsContact C-N 3.35Å; A226-E228 PolarHBondContact O-N 3.02Å; E228-N230 VanDerWaalsContact C-N 3.32Å; E228-N230 PolarHBondContact O-N 3.29Å; E228-M231 HydrophobicContact CB-CE 4.39Å; E228-M231 PolarHBondContact O-N 3.39Å; E228-M231 WeakPolarHBondContact OE2-CE 3.48Å; E228-Q232 WeakPolarHBondContact O-CG 3.09Å; E228-Q232 PolarHBondContact O-N 3.03Å; E228-Q232 PolarHBondContact OE1-NE2 3.46Å
229	Y	98.7	Very high	97.3	Very high	52 Å²	52	40.8 Å²	40.8	20%	0.204	19%	0.194	C	C	.	.	H	α-helix	trans	-59.7	-41.6	172.8	-75.6	-65.4	0	0	0	112.5	K133 Y134 R137 K225 A226 F227 Q232 I233	K133-Y229 HydrophobicContact CB-CD1 4.39Å; K133-Y229 HydrophobicContact CB-CE1 4.03Å; Y134-Y229 HydrophobicContact CD2-CD1 4.25Å; Y134-Y229 AromaticContact CD2-CD2 3.51Å; Y134-Y229 HydrophobicContact CD2-CD2 3.51Å; Y134-Y229 HydrophobicContact CD2-CE2 4.29Å; Y134-Y229 AromaticContact CD2-CG 3.5Å; Y134-Y229 HydrophobicContact CD2-CG 3.5Å; Y134-Y229 AromaticContact CE2-CD2 3.9Å; Y134-Y229 HydrophobicContact CE2-CD2 3.9Å; Y134-Y229 HydrophobicContact CE2-CG 4.2Å; Y134-Y229 HydrophobicContact CG-CD1 4.36Å; Y134-Y229 HydrophobicContact CG-CD2 4.31Å; Y134-Y229 AromaticContact CG-CG 3.84Å; Y134-Y229 HydrophobicContact CG-CG 3.84Å; R137-Y229 HydrophobicContact CB-CE2 3.84Å; R137-Y229 HydrophobicContact CG-CE2 3.73Å; K225-Y229 HydrophobicContact CB-CE2 4.49Å; K225-Y229 WeakPolarHBondContact O-CD2 3.32Å; K225-Y229 PolarHBondContact O-N 3.25Å; A226-Y229 PolarHBondContact O-N 3.46Å; F227-Y229 PolarHBondContact O-N 3.49Å; Y229-Q232 PolarHBondContact O-N 2.92Å; Y229-I233 WeakPolarHBondContact O-CG1 3.27Å; Y229-I233 PolarHBondContact O-N 3.18Å
230	N	96.8	Very high	97	Very high	10 Å²	10	42.1 Å²	42.1	5%	0.053	21%	0.206	C	C	.	.	H	α-helix	trans	-63	-42.2	175.8	-75.6	-81.7	0	0	0	111.6	R156 A226 F227 E228 Q232 I233 F234	R156-N230 PolarHBondContact NH1-OD1 2.9Å; A226-N230 PolarHBondContact O-N 2.96Å; A226-N230 VanDerWaalsContact O-N 3.11Å; A226-N230 PolarHBondContact O-ND2 3.47Å; F227-N230 WeakPolarHBondContact O-CB 3.32Å; F227-N230 PolarHBondContact O-N 2.87Å; F227-N230 VanDerWaalsContact O-N 3.16Å; E228-N230 VanDerWaalsContact C-N 3.32Å; E228-N230 PolarHBondContact O-N 3.29Å; N230-Q232 VanDerWaalsContact C-N 3.35Å; N230-Q232 PolarHBondContact O-N 3.49Å; N230-I233 WeakPolarHBondContact O-CB 3.16Å; N230-I233 PolarHBondContact O-N 3.39Å; N230-F234 HydrophobicContact CB-CE2 4.23Å; N230-F234 VanDerWaalsContact O-CD2 3.27Å; N230-F234 WeakPolarHBondContact O-CD2 3.4Å; N230-F234 VanDerWaalsContact O-CG 3.27Å; N230-F234 WeakPolarHBondContact O-CG 3.43Å; N230-F234 PolarHBondContact O-N 2.86Å
231	M	96.9	Very high	96.6	Very high	16 Å²	16	41.8 Å²	41.8	8%	0.079	21%	0.206	C	C	.	.	H	α-helix	trans	-63.8	-38.8	176.1	-69.9	-172.7	-65.4	0	0	112.2	R47 A48 T51 F227 E228 I233 F234 N235	R47-M231 HydrophobicContact CB-SD 3.78Å; A48-M231 HydrophobicContact CB-CG 4.03Å; A48-M231 HydrophobicContact CB-SD 4.41Å; T51-M231 HydrophobicContact CG2-CG 4.21Å; F227-M231 WeakPolarHBondContact O-CG 3.48Å; F227-M231 PolarHBondContact O-N 3.29Å; E228-M231 HydrophobicContact CB-CE 4.39Å; E228-M231 PolarHBondContact O-N 3.39Å; E228-M231 WeakPolarHBondContact OE2-CE 3.48Å; M231-I233 VanDerWaalsContact C-N 3.33Å; M231-I233 PolarHBondContact O-N 3.02Å; M231-F234 PolarHBondContact O-N 3.5Å; M231-N235 WeakPolarHBondContact O-CB 3.35Å; M231-N235 PolarHBondContact O-N 3.26Å; M231-N235 PolarHBondContact O-ND2 3.37Å
232	Q	98.1	Very high	96.1	Very high	59 Å²	59	39.9 Å²	39.9	28%	0.276	21%	0.205	S	C	.	.	H	α-helix	trans	-62	-40.4	174	-71.5	176.4	32.1	0	0	112	A130 E228 Y229 N230 N235 E236	A130-Q232 HydrophobicContact CB-CB 4.3Å; E228-Q232 WeakPolarHBondContact O-CG 3.09Å; E228-Q232 PolarHBondContact O-N 3.03Å; E228-Q232 PolarHBondContact OE1-NE2 3.46Å; Y229-Q232 PolarHBondContact O-N 2.92Å; N230-Q232 VanDerWaalsContact C-N 3.35Å; N230-Q232 PolarHBondContact O-N 3.49Å; Q232-N235 PolarHBondContact O-N 3.25Å; Q232-E236 WeakPolarHBondContact O-CB 3.31Å; Q232-E236 PolarHBondContact O-N 3.46Å
233	I	98	Very high	95.6	Very high	11 Å²	11	42.7 Å²	42.7	6%	0.056	22%	0.222	C	C	.	.	H	α-helix	trans	-62.4	-47.9	173.7	-66.7	165.1	0	0	0	110.4	A73 A130 A131 Y134 Y229 N230 M231 N235 E236 L237	A73-I233 HydrophobicContact CB-CG2 3.87Å; A130-I233 HydrophobicContact CB-CB 4.43Å; A130-I233 HydrophobicContact CB-CG1 3.84Å; A131-I233 HydrophobicContact CB-CD1 4.25Å; A131-I233 HydrophobicContact CB-CG1 4.37Å; Y134-I233 HydrophobicContact CD1-CD1 4.08Å; Y229-I233 WeakPolarHBondContact O-CG1 3.27Å; Y229-I233 PolarHBondContact O-N 3.18Å; N230-I233 WeakPolarHBondContact O-CB 3.16Å; N230-I233 PolarHBondContact O-N 3.39Å; M231-I233 VanDerWaalsContact C-N 3.33Å; M231-I233 PolarHBondContact O-N 3.02Å; I233-N235 VanDerWaalsContact C-N 3.3Å; I233-N235 PolarHBondContact O-N 3.08Å; I233-E236 PolarHBondContact O-N 3.23Å; I233-L237 HydrophobicContact CG2-CD1 3.93Å; I233-L237 HydrophobicContact CG2-CG 4.41Å; I233-L237 VanDerWaalsContact O-CG 3.28Å; I233-L237 WeakPolarHBondContact O-CG 3.38Å; I233-L237 PolarHBondContact O-N 3.19Å
234	F	95.8	Very high	94.9	Very high	40 Å²	40	45.1 Å²	45.1	18%	0.175	24%	0.235	C	C	.	.	H	α-helix	trans	-60.8	-38.8	178.2	-62.6	-32.8	0	0	0	112.8	T51 F53 V54 N230 M231 L237 D238	T51-F234 HydrophobicContact CG2-CD2 4.33Å; F53-F234 HydrophobicContact CB-CB 4.17Å; F53-F234 HydrophobicContact CD1-CB 4.26Å; F53-F234 AromaticContact CD1-CD1 3.51Å; F53-F234 HydrophobicContact CD1-CD1 3.51Å; F53-F234 HydrophobicContact CD1-CE1 4.13Å; F53-F234 HydrophobicContact CD1-CG 4.06Å; F53-F234 AromaticContact CE1-CD1 3.83Å; F53-F234 HydrophobicContact CE1-CD1 3.83Å; F53-F234 HydrophobicContact CE1-CE1 4.11Å; F53-F234 HydrophobicContact CG-CB 4.48Å; F53-F234 HydrophobicContact CG-CD1 4.44Å; V54-F234 HydrophobicContact CG2-CD2 4.12Å; V54-F234 HydrophobicContact CG2-CE2 4.02Å; V54-F234 HydrophobicContact CG2-CG 4.47Å; V54-F234 HydrophobicContact CG2-CZ 4.28Å; N230-F234 HydrophobicContact CB-CE2 4.23Å; N230-F234 VanDerWaalsContact O-CD2 3.27Å; N230-F234 WeakPolarHBondContact O-CD2 3.4Å; N230-F234 VanDerWaalsContact O-CG 3.27Å; N230-F234 WeakPolarHBondContact O-CG 3.43Å; N230-F234 PolarHBondContact O-N 2.86Å; M231-F234 PolarHBondContact O-N 3.5Å; F234-L237 HydrophobicContact CD1-CD1 4.47Å; F234-L237 PolarHBondContact O-N 3.49Å; F234-D238 WeakPolarHBondContact O-CB 3.13Å; F234-D238 PolarHBondContact O-N 2.97Å
235	N	95.4	Very high	94	Very high	75 Å²	75	44.9 Å²	44.9	40%	0.401	24%	0.24	S	C	.	.	H	α-helix	trans	-68.7	-39.6	176.6	-66.9	-21.3	0	0	0	112.1	M231 Q232 I233 L237 D238 Q239	M231-N235 WeakPolarHBondContact O-CB 3.35Å; M231-N235 PolarHBondContact O-N 3.26Å; M231-N235 PolarHBondContact O-ND2 3.37Å; Q232-N235 PolarHBondContact O-N 3.25Å; I233-N235 VanDerWaalsContact C-N 3.3Å; I233-N235 PolarHBondContact O-N 3.08Å; N235-L237 VanDerWaalsContact C-N 3.32Å; N235-D238 PolarHBondContact O-N 3.43Å; N235-Q239 VanDerWaalsContact O-CG 3.31Å; N235-Q239 WeakPolarHBondContact O-CG 2.92Å; N235-Q239 PolarHBondContact O-N 2.78Å; N235-Q239 VanDerWaalsContact O-N 3.08Å
236	E	96.6	Very high	92.9	Very high	52 Å²	52	47.3 Å²	47.3	24%	0.243	25%	0.246	C	C	.	.	H	α-helix	trans	-61.7	-41.6	173.4	-178.6	175.3	-121.3	0	0	111.1	P128 K129 A130 Q232 I233 Q239 A240	P128-E236 VanDerWaalsContact CB-OE2 3.23Å; P128-E236 WeakPolarHBondContact CB-OE2 3.49Å; K129-E236 WeakPolarHBondContact CB-OE1 3.07Å; K129-E236 PolarHBondContact N-OE1 2.87Å; K129-E236 PolarHBondContact N-OE2 2.92Å; A130-E236 HydrophobicContact CB-CB 4.02Å; A130-E236 HydrophobicContact CB-CG 4.5Å; A130-E236 VanDerWaalsContact CB-OE2 3.23Å; A130-E236 WeakPolarHBondContact CB-OE2 3.44Å; A130-E236 PolarHBondContact N-OE1 3.45Å; A130-E236 PolarHBondContact N-OE2 3.37Å; Q232-E236 WeakPolarHBondContact O-CB 3.31Å; Q232-E236 PolarHBondContact O-N 3.46Å; I233-E236 PolarHBondContact O-N 3.23Å; E236-Q239 PolarHBondContact O-N 3.35Å; E236-A240 WeakPolarHBondContact O-CB 3.48Å; E236-A240 PolarHBondContact O-N 3.35Å
237	L	94.6	Very high	91.6	Very high	6 Å²	6	51.6 Å²	51.6	3%	0.031	27%	0.267	C	S	.	.	H	α-helix	trans	-64.8	-44.7	175.7	-69.5	170.8	0	0	0	112	F53 L66 L69 A70 I233 F234 N235 Q239 A240 G241	F53-L237 HydrophobicContact CD2-CB 3.88Å; F53-L237 HydrophobicContact CD2-CD1 4.49Å; F53-L237 HydrophobicContact CE1-CD1 4.2Å; F53-L237 HydrophobicContact CE2-CB 4Å; F53-L237 HydrophobicContact CE2-CD1 4.05Å; F53-L237 HydrophobicContact CG-CB 4.44Å; F53-L237 HydrophobicContact CZ-CD1 3.9Å; L66-L237 HydrophobicContact CD1-CB 3.97Å; L66-L237 HydrophobicContact CD1-CD2 3.95Å; L66-L237 WeakPolarHBondContact CD1-O 3.21Å; L69-L237 HydrophobicContact CB-CD2 3.53Å; A70-L237 HydrophobicContact CB-CD1 3.75Å; A70-L237 HydrophobicContact CB-CD2 4.32Å; I233-L237 HydrophobicContact CG2-CD1 3.93Å; I233-L237 HydrophobicContact CG2-CG 4.41Å; I233-L237 VanDerWaalsContact O-CG 3.28Å; I233-L237 WeakPolarHBondContact O-CG 3.38Å; I233-L237 PolarHBondContact O-N 3.19Å; F234-L237 HydrophobicContact CD1-CD1 4.47Å; F234-L237 PolarHBondContact O-N 3.49Å; N235-L237 VanDerWaalsContact C-N 3.32Å; L237-Q239 VanDerWaalsContact C-N 3.31Å; L237-Q239 PolarHBondContact O-N 2.99Å; L237-A240 PolarHBondContact O-N 3.44Å; L237-G241 PolarHBondContact O-N 3Å
238	D	93.1	Very high	90	Very high	46 Å²	46	54.8 Å²	54.8	25%	0.246	29%	0.288	C	S	.	.	H	α-helix	trans	-58.9	-42.5	177.4	-171.4	64.5	0	0	0	112.1	Q52 F53 F234 N235 G241 S242	Q52-D238 WeakPolarHBondContact CG-OD1 3.48Å; F53-D238 HydrophobicContact CB-CB 4.47Å; F234-D238 WeakPolarHBondContact O-CB 3.13Å; F234-D238 PolarHBondContact O-N 2.97Å; N235-D238 PolarHBondContact O-N 3.43Å; D238-G241 PolarHBondContact O-N 3.07Å; D238-S242 PolarHBondContact O-N 2.8Å; D238-S242 PolarHBondContact O-OG 2.95Å
239	Q	93.6	Very high	88.2	Confident	131 Å²	131	57.7 Å²	57.7	61%	0.612	31%	0.306	S	S	*	.	H	α-helix	trans	-64.6	-44	174.8	-69.8	172.9	16.3	0	0	112.1	N235 E236 L237 G241 S242 T243	N235-Q239 VanDerWaalsContact O-CG 3.31Å; N235-Q239 WeakPolarHBondContact O-CG 2.92Å; N235-Q239 PolarHBondContact O-N 2.78Å; N235-Q239 VanDerWaalsContact O-N 3.08Å; E236-Q239 PolarHBondContact O-N 3.35Å; L237-Q239 VanDerWaalsContact C-N 3.31Å; L237-Q239 PolarHBondContact O-N 2.99Å; Q239-G241 VanDerWaalsContact C-N 3.33Å; Q239-G241 PolarHBondContact O-N 2.97Å; Q239-S242 PolarHBondContact O-N 2.87Å; Q239-T243 PolarHBondContact O-N 3.18Å; Q239-T243 PolarHBondContact O-OG1 3.14Å
240	A	92.6	Very high	86.1	Confident	29 Å²	29	61.2 Å²	61.2	24%	0.24	32%	0.324	C	S	.	.	H	α-helix	trans	-61.6	-42.2	175.4	0	0	0	0	0	111.6	L66 L69 E236 L237 S242 T243 L244	L66-A240 HydrophobicContact CD1-CB 4.4Å; L69-A240 HydrophobicContact CD1-CB 3.92Å; E236-A240 WeakPolarHBondContact O-CB 3.48Å; E236-A240 PolarHBondContact O-N 3.35Å; L237-A240 PolarHBondContact O-N 3.44Å; A240-S242 VanDerWaalsContact C-N 3.34Å; A240-S242 PolarHBondContact O-N 2.99Å; A240-T243 PolarHBondContact O-N 2.73Å; A240-L244 WeakPolarHBondContact O-CG 3.12Å; A240-L244 PolarHBondContact O-N 3.24Å
241	G	89.9	Confident	83.8	Confident	14 Å²	14	67.7 Å²	67.7	14%	0.144	36%	0.359	C	S	.	.	H	α-helix	trans	-59.9	-41.5	174.8	0	0	0	0	0	113.4	L237 D238 Q239 L244 A245	L237-G241 PolarHBondContact O-N 3Å; D238-G241 PolarHBondContact O-N 3.07Å; Q239-G241 VanDerWaalsContact C-N 3.33Å; Q239-G241 PolarHBondContact O-N 2.97Å; G241-L244 PolarHBondContact O-N 2.82Å; G241-A245 PolarHBondContact O-N 2.88Å
242	S	87.9	Confident	81.1	Confident	68 Å²	68	69.2 Å²	69.2	48%	0.476	38%	0.378	S	S	.	.	H	α-helix	trans	-65.2	-42.8	177.3	-64.2	0	0	0	0	111.9	D238 Q239 A240 A245 R246	D238-S242 PolarHBondContact O-N 2.8Å; D238-S242 PolarHBondContact O-OG 2.95Å; Q239-S242 PolarHBondContact O-N 2.87Å; A240-S242 VanDerWaalsContact C-N 3.34Å; A240-S242 PolarHBondContact O-N 2.99Å; S242-A245 WeakPolarHBondContact O-CB 3.42Å; S242-A245 PolarHBondContact O-N 3.35Å; S242-R246 PolarHBondContact O-N 2.93Å
243	T	87.8	Confident	78.5	Confident	61 Å²	61	75.6 Å²	75.6	37%	0.374	41%	0.405	S	S	.	.	H	α-helix	trans	-61.3	-48.1	174.3	-59.3	0	0	0	0	111.4	Q239 A240 A245 R246 E247	Q239-T243 PolarHBondContact O-N 3.18Å; Q239-T243 PolarHBondContact O-OG1 3.14Å; A240-T243 PolarHBondContact O-N 2.73Å; T243-A245 PolarHBondContact O-N 3.29Å; T243-R246 PolarHBondContact O-N 3.33Å; T243-R246 VanDerWaalsContact O-N 3.08Å; T243-E247 PolarHBondContact O-N 3.43Å
244	L	85.3	Confident	75.8	Confident	50 Å²	50	80.7 Å²	80.7	26%	0.262	44%	0.439	S	S	.	.	H	α-helix	trans	-59.6	-28.2	175.7	-73.6	171.5	0	0	0	112.7	K63 E65 A240 G241 T248	K63-L244 PolarHBondContact NZ-O 3.03Å; K63-L244 VanDerWaalsContact NZ-O 3.12Å; E65-L244 HydrophobicContact CB-CD1 4.1Å; A240-L244 WeakPolarHBondContact O-CG 3.12Å; A240-L244 PolarHBondContact O-N 3.24Å; G241-L244 PolarHBondContact O-N 2.82Å; L244-T248 PolarHBondContact O-OG1 3.31Å
245	A	79.8	Confident	73.5	Confident	41 Å²	41	85.3 Å²	85.3	34%	0.339	47%	0.47	S	S	.	.	H	α-helix	trans	-76.9	-39.5	174.6	0	0	0	0	0	112.7	G241 S242 T243 T248 L249	G241-A245 PolarHBondContact O-N 2.88Å; S242-A245 WeakPolarHBondContact O-CB 3.42Å; S242-A245 PolarHBondContact O-N 3.35Å; T243-A245 PolarHBondContact O-N 3.29Å; A245-T248 PolarHBondContact O-N 3.11Å; A245-L249 WeakPolarHBondContact O-CG 3.18Å; A245-L249 PolarHBondContact O-N 3.04Å
246	R	76	Confident	71.4	Confident	127 Å²	127	89.2 Å²	89.2	48%	0.479	49%	0.486	S	S	.	.	H	α-helix	trans	-65.6	-43.4	178.2	-172	175.3	61.7	77.3	6.3	112.1	S242 T243 T248 L249 E250	S242-R246 PolarHBondContact O-N 2.93Å; T243-R246 PolarHBondContact O-N 3.33Å; T243-R246 VanDerWaalsContact O-N 3.08Å; R246-T248 VanDerWaalsContact C-N 3.31Å; R246-T248 PolarHBondContact O-N 3.14Å; R246-L249 WeakPolarHBondContact O-CB 3.15Å; R246-L249 PolarHBondContact O-N 3.4Å; R246-L249 VanDerWaalsContact O-N 3.07Å; R246-E250 IonicContact CZ-OE1 3.55Å; R246-E250 VanDerWaalsContact NH1-CD 3.29Å; R246-E250 IonicContact NH1-OE1 2.72Å; R246-E250 PolarHBondContact NH1-OE1 3.42Å; R246-E250 IonicContact NH1-OE2 3.68Å; R246-E250 PolarHBondContact NH1-OE2 3.13Å; R246-E250 VanDerWaalsContact NH1-OE2 3.09Å; R246-E250 PolarHBondContact O-N 3.08Å
247	E	70.3	Confident	69.6	Low	91 Å²	91	91.9 Å²	91.9	43%	0.425	50%	0.501	S	S	.	.	H	α-helix	trans	-61.9	-37.8	178	-71.1	172.7	177.9	0	0	112.1	T243 L249 E250 D251	T243-E247 PolarHBondContact O-N 3.43Å; E247-L249 PolarHBondContact O-N 2.84Å; E247-E250 PolarHBondContact O-N 3.08Å; E247-D251 PolarHBondContact O-N 2.89Å
248	T	64.1	Low	67.8	Low	89 Å²	89	94.6 Å²	94.6	55%	0.546	53%	0.531	S	S	.	.	H	α-helix	trans	-67.6	-24	176.6	-24.8	0	0	0	0	113	K63 L244 A245 R246	K63-T248 PolarHBondContact NZ-OG1 3.21Å; L244-T248 PolarHBondContact O-OG1 3.31Å; A245-T248 PolarHBondContact O-N 3.11Å; R246-T248 VanDerWaalsContact C-N 3.31Å; R246-T248 PolarHBondContact O-N 3.14Å
249	L	60.4	Low	66.1	Low	144 Å²	144	101 Å²	101	75%	0.754	56%	0.557	S	S	*	*	H	α-helix	trans	-84.5	-30	177	-69.5	166.8	0	0	0	111.9	A245 R246 E247	A245-L249 WeakPolarHBondContact O-CG 3.18Å; A245-L249 PolarHBondContact O-N 3.04Å; R246-L249 WeakPolarHBondContact O-CB 3.15Å; R246-L249 PolarHBondContact O-N 3.4Å; R246-L249 VanDerWaalsContact O-N 3.07Å; E247-L249 PolarHBondContact O-N 2.84Å
250	E	54.3	Low	64.4	Low	125 Å²	125	96.5 Å²	96.5	58%	0.584	55%	0.546	S	S	*	.	H	α-helix	trans	-77.3	-32	176.5	-72.2	175.2	-173.6	0	0	112	R246 E247 G252	R246-E250 IonicContact CZ-OE1 3.55Å; R246-E250 VanDerWaalsContact NH1-CD 3.29Å; R246-E250 IonicContact NH1-OE1 2.72Å; R246-E250 PolarHBondContact NH1-OE1 3.42Å; R246-E250 IonicContact NH1-OE2 3.68Å; R246-E250 PolarHBondContact NH1-OE2 3.13Å; R246-E250 VanDerWaalsContact NH1-OE2 3.09Å; R246-E250 PolarHBondContact O-N 3.08Å; E247-E250 PolarHBondContact O-N 3.08Å; E250-G252 VanDerWaalsContact C-N 3.33Å
251	D	49.2	Very low	62.9	Low	147 Å²	147	99.1 Å²	99.1	79%	0.786	56%	0.556	S	S	*	*	S	Bend	trans	-87.5	7.2	174	-79.1	-20.3	0	0	0	114.3	E247	E247-D251 PolarHBondContact O-N 2.89Å
252	G	41.1	Very low	61.3	Low	47 Å²	47	103.8 Å²	103.8	49%	0.485	58%	0.575	S	S	.	*			trans	-75.9	125.4	-179.9	0	0	0	0	0	113.1	E250	E250-G252 VanDerWaalsContact C-N 3.33Å
253	F	43.7	Very low	59.8	Low	194 Å²	194	110.7 Å²	110.7	85%	0.851	59%	0.591	S	S	*	*			trans	-36.4	148.7	169.2	-85	-96.4	0	0	0	113.6	V255	F253-V255 PolarHBondContact O-N 2.9Å
254	P	41.4	Very low	58.2	Low	117 Å²	117	116.1 Å²	116.1	76%	0.76	61%	0.609	S	S	*	*			trans	-52.3	119.3	-177.7	-15.6	24.5	0	0	0	109.8	H256	P254-H256 PolarHBondContact O-N 3.17Å
255	V	46.8	Very low	56.5	Low	137 Å²	137	116.7 Å²	116.7	83%	0.83	62%	0.617	S	S	*	*			trans	-59.7	104.8	167.9	177.5	0	0	0	0	105.9	F253 D257	F253-V255 PolarHBondContact O-N 2.9Å; V255-D257 PolarHBondContact O-N 2.99Å
256	H	52	Low	55	Low	158 Å²	158	120.3 Å²	120.3	73%	0.731	64%	0.637	S	S	*	*			trans	-61.6	113.5	170.4	-120.2	-56.7	0	0	0	106.3	P254 G258	P254-H256 PolarHBondContact O-N 3.17Å; H256-G258 PolarHBondContact O-N 2.85Å
257	D	57.1	Low	53.8	Low	107 Å²	107	123.3 Å²	123.3	57%	0.572	65%	0.654	S	S	*	*			trans	-66.2	13.2	-178.7	67	-11.9	0	0	0	114.3	V255 K259	V255-D257 PolarHBondContact O-N 2.99Å; D257-K259 PolarHBondContact O-N 3.25Å; D257-K259 VanDerWaalsContact O-N 3.15Å; D257-K259 WeakPolarHBondContact OD1-CB 3.44Å; D257-K259 PolarHBondContact OD1-N 2.92Å
258	G	57.6	Low	52.8	Low	64 Å²	64	125.8 Å²	125.8	66%	0.66	66%	0.66	S	S	*	*	S	Bend	trans	65.4	7.6	-174.4	0	0	0	0	0	114.1	H256	H256-G258 PolarHBondContact O-N 2.85Å
259	K	57.2	Low	51.8	Low	179 Å²	179	126.5 Å²	126.5	78%	0.778	68%	0.675	S	S	*	*			trans	-102.1	27.3	-179.2	-60	-176.9	-177.9	172.3	0	113.4	D257	D257-K259 PolarHBondContact O-N 3.25Å; D257-K259 VanDerWaalsContact O-N 3.15Å; D257-K259 WeakPolarHBondContact OD1-CB 3.44Å; D257-K259 PolarHBondContact OD1-N 2.92Å
260	G	58	Low	51.1	Low	37 Å²	37	122.7 Å²	122.7	38%	0.381	67%	0.67	S	S	.	*	S	Bend	trans	-84.3	137	169.5	0	0	0	0	0	111.4	M262	G260-M262 PolarHBondContact O-N 3.36Å
261	D	61.2	Low	50.5	Low	84 Å²	84	125.6 Å²	125.6	45%	0.449	68%	0.684	S	S	.	*			trans	-59.1	109	170.8	-178.7	8.5	0	0	0	109.6	R263 K264	D261-R263 PolarHBondContact O-N 2.99Å; D261-R263 WeakPolarHBondContact OD1-CB 3.37Å; D261-R263 PolarHBondContact OD1-N 3.12Å; D261-R263 IonicContact OD1-NE 2.76Å; D261-R263 PolarHBondContact OD1-NE 3.49Å; D261-K264 PolarHBondContact O-N 3.11Å
262	M	55.3	Low	50	Low	113 Å²	113	128.1 Å²	128.1	56%	0.557	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-62.3	-18.2	-172.2	-149.4	158.4	-79.3	0	0	112.9	G260 K264 C265 Y268	G260-M262 PolarHBondContact O-N 3.36Å; M262-K264 PolarHBondContact O-N 3.32Å; M262-C265 PolarHBondContact O-N 2.94Å; M262-Y268 HydrophobicContact CB-CE2 4.3Å; M262-Y268 HydrophobicContact CG-CD2 3.66Å; M262-Y268 HydrophobicContact CG-CE2 3.41Å; M262-Y268 VanDerWaalsContact CG-CE2 3.41Å; M262-Y268 HydrophobicContact CG-CG 4.48Å; M262-Y268 WeakPolarHBondContact O-CB 3.42Å; M262-Y268 HydrophobicContact SD-CD2 4.45Å; M262-Y268 HydrophobicContact SD-CE2 3.73Å
263	R	58.3	Low	49.9	Very low	212 Å²	212	133.1 Å²	133.1	80%	0.8	71%	0.706	S	S	*	*	G	3₁₀ helix	trans	-69.6	-13	173.1	-69.1	178.3	-95.3	-162.2	-13.6	114.4	D261	D261-R263 PolarHBondContact O-N 2.99Å; D261-R263 WeakPolarHBondContact OD1-CB 3.37Å; D261-R263 PolarHBondContact OD1-N 3.12Å; D261-R263 IonicContact OD1-NE 2.76Å; D261-R263 PolarHBondContact OD1-NE 3.49Å
264	K	54.1	Low	49.6	Very low	175 Å²	175	133.7 Å²	133.7	76%	0.761	71%	0.709	S	S	*	*	G	3₁₀ helix	trans	-98.5	0.2	176.6	-66.1	-172.9	177.6	-179.4	0	113.5	D261 M262	D261-K264 PolarHBondContact O-N 3.11Å; M262-K264 PolarHBondContact O-N 3.32Å
265	C	49	Very low	49.1	Very low	63 Å²	63	131.7 Å²	131.7	43%	0.426	71%	0.709	S	S	.	*			trans	-77.3	122.9	178.9	-163.6	0	0	0	0	109.5	M262 F267 Y268	M262-C265 PolarHBondContact O-N 2.94Å; C265-F267 PolarHBondContact O-N 3.24Å; C265-Y268 WeakPolarHBondContact O-CB 3.36Å; C265-Y268 PolarHBondContact O-N 3.4Å
266	P	48.8	Very low	48.5	Very low	117 Å²	117	129.7 Å²	129.7	76%	0.76	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.1	-11.8	-175.1	22	-30.4	0	0	0	113.9
267	F	50	Low	47.4	Very low	189 Å²	189	130.6 Å²	130.6	83%	0.829	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	-3.5	175.4	-68.6	-82.8	0	0	0	114.2	C265	C265-F267 PolarHBondContact O-N 3.24Å
268	Y	49.6	Very low	46.2	Very low	144 Å²	144	134.4 Å²	134.4	57%	0.565	73%	0.731	S	S	*	*	G	3₁₀ helix	trans	-83.6	-9	-174.9	-149.6	-98.6	0	0	0	114.2	M262 C265 G270	M262-Y268 HydrophobicContact CB-CE2 4.3Å; M262-Y268 HydrophobicContact CG-CD2 3.66Å; M262-Y268 HydrophobicContact CG-CE2 3.41Å; M262-Y268 VanDerWaalsContact CG-CE2 3.41Å; M262-Y268 HydrophobicContact CG-CG 4.48Å; M262-Y268 WeakPolarHBondContact O-CB 3.42Å; M262-Y268 HydrophobicContact SD-CD2 4.45Å; M262-Y268 HydrophobicContact SD-CE2 3.73Å; C265-Y268 WeakPolarHBondContact O-CB 3.36Å; C265-Y268 PolarHBondContact O-N 3.4Å; Y268-G270 VanDerWaalsContact C-N 3.26Å; Y268-G270 PolarHBondContact O-N 3.08Å
269	A	43.7	Very low	44.9	Very low	104 Å²	104	135 Å²	135	86%	0.86	74%	0.737	S	S	*	*	G	3₁₀ helix	trans	-86.9	20.1	-177.3	0	0	0	0	0	114.1
270	G	44.8	Very low	43.6	Very low	63 Å²	63	132 Å²	132	65%	0.649	74%	0.739	S	S	*	*	G	3₁₀ helix	trans	-107.2	-13.7	-168.2	0	0	0	0	0	117.6	Y268	Y268-G270 VanDerWaalsContact C-N 3.26Å; Y268-G270 PolarHBondContact O-N 3.08Å
271	E	41	Very low	42.5	Very low	187 Å²	187	135.7 Å²	135.7	87%	0.874	76%	0.758	S	S	*	*			trans	-140.9	77.2	-172.2	-71.8	-174.7	149.7	0	0	112.6
272	Q	39.6	Very low	41	Very low	199 Å²	199	137 Å²	137	93%	0.93	77%	0.773	S	S	*	*			trans	-136.2	74.5	152.8	-81.5	-169.9	-2.6	0	0	108.9
273	D	38.8	Very low	40.3	Very low	152 Å²	152	137.2 Å²	137.2	81%	0.813	78%	0.783	S	S	*	*			trans	-159.7	104	145.3	-146	2	0	0	0	110.8
274	K	37.8	Very low	39.3	Very low	207 Å²	207	136.2 Å²	136.2	90%	0.9	78%	0.784	S	S	*	*			trans	171.6	107.2	142.1	-93.6	164.8	-171.1	-176.3	0	109.9
275	G	31.1	Very low	38.5	Very low	74 Å²	74	139.6 Å²	139.6	76%	0.763	79%	0.792	S	S	*	*			trans	-70.1	156.6	176.4	0	0	0	0	0	114.4
276	A	32.6	Very low	38.1	Very low	96 Å²	96	143.1 Å²	143.1	79%	0.793	81%	0.812	S	S	*	*			trans	25.5	124.2	143.5	0	0	0	0	0	119.8
277	L	29.6	Very low	37.5	Very low	177 Å²	177	142 Å²	142	93%	0.927	81%	0.813	S	S	*	*				-161.5	135.6	119.9	-105.6	144.9	0	0	0	111.7
278	E	31.7	Very low	37	Very low	187 Å²	187	142.1 Å²	142.1	87%	0.874	82%	0.818	S	S	*	*			trans	-68.5	158.2	179.5	-68.3	170.8	125	0	0	113.7
279	G	30.3	Very low	36.5	Very low	77 Å²	77	139.6 Å²	139.6	79%	0.794	83%	0.827	S	S	*	*			trans	97.8	111.6	141.6	0	0	0	0	0	116.9
280	S	30.6	Very low	36.4	Very low	116 Å²	116	141 Å²	141	81%	0.811	83%	0.825	S	S	*	*				166.1	125.7	123.7	-173.9	0	0	0	0	111
281	S	34	Very low	36.2	Very low	113 Å²	113	146.3 Å²	146.3	79%	0.79	84%	0.837	S	S	*	*			trans	-54.5	134.4	165.4	49.5	0	0	0	0	112.8
282	C	30.3	Very low	36.3	Very low	111 Å²	111	148.7 Å²	148.7	75%	0.75	84%	0.839	S	S	*	*			trans	-139.9	115.6	159.3	-161.3	0	0	0	0	110.8	F284	C282-F284 PolarHBondContact O-N 2.8Å; C282-F284 VanDerWaalsContact O-N 3.14Å
283	P	41.1	Very low	36.3	Very low	119 Å²	119	147 Å²	147	77%	0.773	83%	0.828	S	S	*	*			trans	-87.2	77.7	-175.5	35.4	-31.3	0	0	0	109.8
284	F	36.9	Very low	36.4	Very low	190 Å²	190	144.4 Å²	144.4	83%	0.833	82%	0.82	S	S	*	*			trans	-148.7	25.4	171.8	-137.1	-93.2	0	0	0	114.9	C282	C282-F284 PolarHBondContact O-N 2.8Å; C282-F284 VanDerWaalsContact O-N 3.14Å
285	R	37.6	Very low	36.7	Very low	246 Å²	246	137.9 Å²	137.9	93%	0.928	80%	0.8	S	S	*	*			trans	-119.9	55.1	178.1	-103.5	-169.2	179.6	-172.7	2.7	112.5
286	T	40.4	Very low	37.1	Very low	138 Å²	138	140 Å²	140	85%	0.847	79%	0.793	S	S	*	*	S	Bend	trans	-134.3	10.3	170.9	-29.3	0	0	0	0	114.1
287	A	37.1	Very low	37.5	Very low	93 Å²	93	143.2 Å²	143.2	77%	0.769	79%	0.792	S	S	*	*	S	Bend	trans	-117.6	7.9	179.2	0	0	0	0	0	115.3
288	M	38.2	Very low	38.1	Very low	191 Å²	191	142.4 Å²	142.4	94%	0.941	78%	0.781	S	S	*	*	S	Bend	trans	-131.2	41.9	179.8	-84.7	-85.3	-123.3	0	0	112
289	A	38.8	Very low	38.6	Very low	91 Å²	91	139.4 Å²	139.4	75%	0.752	77%	0.77	S	S	*	*	S	Bend	trans	-123.9	4.4	175.2	0	0	0	0	0	114
290	V	41.8	Very low	38.9	Very low	135 Å²	135	142 Å²	142	82%	0.818	77%	0.765	S	S	*	*	S	Bend	trans	-112.1	-8.9	-177.5	-179.7	0	0	0	0	113.7
291	L	40.9	Very low	39.2	Very low	173 Å²	173	139.6 Å²	139.6	91%	0.906	75%	0.751	S	S	*	*	S	Bend	trans	-113.8	29.4	-179.7	-73.8	170.6	0	0	0	115
292	R	43.8	Very low	39.1	Very low	238 Å²	238	136.8 Å²	136.8	90%	0.898	74%	0.735	S	S	*	*			trans	-134.3	59.1	173.2	-127.4	-179.2	-171.5	177.9	2.5	111.4
293	K	39.3	Very low	39.2	Very low	163 Å²	163	133.6 Å²	133.6	71%	0.709	72%	0.721	S	S	*	*			trans	-108.4	109	164.4	-78.9	-169.1	176	-177.6	0	109.3	S295	K293-S295 PolarHBondContact O-N 3.49Å; K293-S295 VanDerWaalsContact O-N 3.08Å
294	P	40.9	Very low	38.9	Very low	98 Å²	98	134.9 Å²	134.9	64%	0.636	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.3	-12.9	179.4	-20.2	31.2	0	0	0	114	F298	P294-F298 WeakPolarHBondContact O-CD2 3.35Å
295	S	44	Very low	38.8	Very low	69 Å²	69	129 Å²	129	48%	0.483	71%	0.706	S	S	.	*	H	α-helix	trans	-75.5	-22.6	-174.2	49.2	0	0	0	0	114.8	K293 I299	K293-S295 PolarHBondContact O-N 3.49Å; K293-S295 VanDerWaalsContact O-N 3.08Å; S295-I299 WeakPolarHBondContact O-CD1 3.44Å; S295-I299 WeakPolarHBondContact O-CG1 3.4Å
296	L	38.4	Very low	38.6	Very low	119 Å²	119	123.4 Å²	123.4	62%	0.623	69%	0.693	S	S	*	*	H	α-helix	trans	-90	-26.1	-178.9	-103.6	89.7	0	0	0	114.5	F298 I299	L296-F298 VanDerWaalsContact C-N 3.35Å; L296-I299 PolarHBondContact O-N 2.7Å
297	Q	42.3	Very low	38.3	Very low	164 Å²	164	119 Å²	119	77%	0.766	67%	0.67	S	S	*	*	H	α-helix	trans	-72	-30.9	174.7	-74.8	-172.3	-29.1	0	0	112.1	A301	Q297-A301 PolarHBondContact O-N 2.91Å
298	F	41.2	Very low	38.3	Very low	159 Å²	159	117.3 Å²	117.3	70%	0.697	66%	0.657	S	S	*	*	H	α-helix	trans	-70.9	-31.9	174.8	-90.4	-84.4	0	0	0	113.3	P294 L296 A302	P294-F298 WeakPolarHBondContact O-CD2 3.35Å; L296-F298 VanDerWaalsContact C-N 3.35Å; F298-A302 VanDerWaalsContact O-CB 3.27Å; F298-A302 WeakPolarHBondContact O-CB 3.36Å; F298-A302 PolarHBondContact O-N 3.4Å
299	I	42.8	Very low	38.2	Very low	124 Å²	124	110.3 Å²	110.3	64%	0.636	63%	0.634	S	S	*	*	H	α-helix	trans	-71.8	-34.4	-179.9	-66.8	169.3	0	0	0	111.3	S295 L296 G303	S295-I299 WeakPolarHBondContact O-CD1 3.44Å; S295-I299 WeakPolarHBondContact O-CG1 3.4Å; L296-I299 PolarHBondContact O-N 2.7Å; I299-G303 PolarHBondContact O-N 2.92Å
300	L	35.7	Very low	38	Very low	133 Å²	133	112.1 Å²	112.1	70%	0.696	63%	0.63	S	S	*	*	H	α-helix	trans	-76.1	-33.3	175.7	-87.7	156.1	0	0	0	113.3
301	A	37.3	Very low	37.4	Very low	64 Å²	64	110.2 Å²	110.2	53%	0.529	62%	0.615	S	S	.	*	H	α-helix	trans	-76.2	-36.4	176.9	0	0	0	0	0	113	Q297 M304 A305	Q297-A301 PolarHBondContact O-N 2.91Å; A301-M304 PolarHBondContact O-N 3.37Å; A301-A305 PolarHBondContact O-N 2.89Å
302	A	33.3	Very low	37.3	Very low	55 Å²	55	103.8 Å²	103.8	46%	0.455	59%	0.587	S	S	.	*	H	α-helix	trans	-70	-31.6	177.6	0	0	0	0	0	112.8	F298 L306	F298-A302 VanDerWaalsContact O-CB 3.27Å; F298-A302 WeakPolarHBondContact O-CB 3.36Å; F298-A302 PolarHBondContact O-N 3.4Å; A302-L306 PolarHBondContact O-N 3.44Å
303	G	30.7	Very low	37.1	Very low	44 Å²	44	96.6 Å²	96.6	45%	0.454	56%	0.559	S	S	.	*	H	α-helix	trans	-68.6	-35.7	175.4	0	0	0	0	0	113.7	I299 A307	I299-G303 PolarHBondContact O-N 2.92Å; G303-A307 PolarHBondContact O-N 3.04Å
304	M	34.8	Very low	36.6	Very low	145 Å²	145	97.7 Å²	97.7	71%	0.714	56%	0.561	S	S	*	*	H	α-helix	trans	-79.9	-27.7	-178.9	-64.9	-126.5	-63.8	0	0	113.5	A301 A308	A301-M304 PolarHBondContact O-N 3.37Å; M304-A308 VanDerWaalsContact O-CB 3.31Å; M304-A308 WeakPolarHBondContact O-CB 3.33Å; M304-A308 PolarHBondContact O-N 3.43Å
305	A	34.9	Very low	36.2	Very low	68 Å²	68	101.9 Å²	101.9	56%	0.562	57%	0.565	S	S	*	*	H	α-helix	trans	-72.8	-35.7	175.4	0	0	0	0	0	112.7	A301 A308 G309	A301-A305 PolarHBondContact O-N 2.89Å; A305-A308 PolarHBondContact O-N 2.86Å; A305-G309 PolarHBondContact O-N 3.09Å
306	L	33.5	Very low	35.8	Very low	127 Å²	127	102.2 Å²	102.2	67%	0.665	56%	0.56	S	S	*	*	H	α-helix	trans	-72	-36.7	174.6	-72.9	168.4	0	0	0	112.1	A302 L310	A302-L306 PolarHBondContact O-N 3.44Å; L306-L310 PolarHBondContact O-N 3.22Å
307	A	34.7	Very low	35.7	Very low	45 Å²	45	101.4 Å²	101.4	37%	0.372	56%	0.557	S	S	.	*	H	α-helix	trans	-67.5	-37.6	172.5	0	0	0	0	0	111.9	G303 L311	G303-A307 PolarHBondContact O-N 3.04Å; A307-L311 WeakPolarHBondContact O-CB 3.5Å; A307-L311 WeakPolarHBondContact O-CD1 3.27Å; A307-L311 WeakPolarHBondContact O-CG 3.22Å; A307-L311 PolarHBondContact O-N 3.44Å
308	A	36.3	Very low	35.3	Very low	58 Å²	58	98.1 Å²	98.1	48%	0.479	55%	0.546	S	S	.	.	H	α-helix	trans	-69.4	-36.6	176.9	0	0	0	0	0	112.9	M304 A305 A312	M304-A308 VanDerWaalsContact O-CB 3.31Å; M304-A308 WeakPolarHBondContact O-CB 3.33Å; M304-A308 PolarHBondContact O-N 3.43Å; A305-A308 PolarHBondContact O-N 2.86Å; A308-A312 WeakPolarHBondContact O-CB 3.46Å; A308-A312 PolarHBondContact O-N 2.93Å
309	G	36.4	Very low	35	Very low	45 Å²	45	94.7 Å²	94.7	46%	0.464	54%	0.537	S	S	.	.	H	α-helix	trans	-67.4	-42.7	175.1	0	0	0	0	0	113.2	A305 W313	A305-G309 PolarHBondContact O-N 3.09Å; G309-W313 PolarHBondContact O-N 3.22Å; G309-W313 VanDerWaalsContact O-N 3.13Å
310	L	34.5	Very low	34.5	Very low	128 Å²	128	93 Å²	93	67%	0.67	53%	0.531	S	S	*	.	H	α-helix	trans	-71.5	-39.6	176.4	-79.6	161.7	0	0	0	112.5	L306 W313 Y314	L306-L310 PolarHBondContact O-N 3.22Å; L310-W313 PolarHBondContact O-N 3.18Å; L310-Y314 WeakPolarHBondContact O-CB 3.46Å; L310-Y314 PolarHBondContact O-N 3.32Å
311	L	30.6	Very low	34.5	Very low	96 Å²	96	90.5 Å²	90.5	50%	0.503	52%	0.521	S	S	.	.	H	α-helix	trans	-74.9	-32.1	178.1	-68.6	168.9	0	0	0	112.4	A307 Y315	A307-L311 WeakPolarHBondContact O-CB 3.5Å; A307-L311 WeakPolarHBondContact O-CD1 3.27Å; A307-L311 WeakPolarHBondContact O-CG 3.22Å; A307-L311 PolarHBondContact O-N 3.44Å; L311-Y315 HydrophobicContact CD2-CD2 4.04Å; L311-Y315 HydrophobicContact CD2-CE2 3.85Å; L311-Y315 WeakPolarHBondContact O-CB 3.2Å; L311-Y315 PolarHBondContact O-N 3.32Å
312	A	38	Very low	34.3	Very low	37 Å²	37	92.3 Å²	92.3	31%	0.306	52%	0.521	S	S	.	.	H	α-helix	trans	-62.4	-41.8	169.6	0	0	0	0	0	111.3	A308 M316	A308-A312 WeakPolarHBondContact O-CB 3.46Å; A308-A312 PolarHBondContact O-N 2.93Å; A312-M316 HydrophobicContact CB-CE 3.59Å; A312-M316 WeakPolarHBondContact O-CB 3.4Å; A312-M316 WeakPolarHBondContact O-CE 3.38Å; A312-M316 WeakPolarHBondContact O-CG 3.48Å; A312-M316 PolarHBondContact O-N 3.26Å
313	W	39.2	Very low	34.3	Very low	87 Å²	87	94.9 Å²	94.9	33%	0.33	53%	0.525	S	S	.	.	H	α-helix	trans	-77	-30.5	177.5	-171	-89.6	0	0	0	113.8	K38 H45 G309 L310	K38-W313 HydrophobicContact CG-CZ2 3.85Å; K38-W313 PolarHBondContact NZ-O 3.16Å; K38-W313 VanDerWaalsContact NZ-O 3.08Å; H45-W313 AromaticContact CE1-CZ3 4Å; H45-W313 AromaticContact NE2-CZ3 3.69Å; G309-W313 PolarHBondContact O-N 3.22Å; G309-W313 VanDerWaalsContact O-N 3.13Å; L310-W313 PolarHBondContact O-N 3.18Å
314	Y	29.9	Very low	34.6	Very low	187 Å²	187	98.8 Å²	98.8	73%	0.733	53%	0.531	S	S	*	.	H	α-helix	trans	-83.7	-23.2	-177.4	-159.4	-95.7	0	0	0	113.5	L310	L310-Y314 WeakPolarHBondContact O-CB 3.46Å; L310-Y314 PolarHBondContact O-N 3.32Å
315	Y	30.9	Very low	34.6	Very low	186 Å²	186	95 Å²	95	73%	0.729	52%	0.516	S	S	*	.			trans	-114.2	11.5	177.5	-74.1	-85.6	0	0	0	114.4	L311	L311-Y315 HydrophobicContact CD2-CD2 4.04Å; L311-Y315 HydrophobicContact CD2-CE2 3.85Å; L311-Y315 WeakPolarHBondContact O-CB 3.2Å; L311-Y315 PolarHBondContact O-N 3.32Å
316	M	36.4	Very low	34.6	Very low	76 Å²	76	97.5 Å²	97.5	37%	0.374	51%	0.511	S	S	.	.			trans	-133.8	0	174.3	-53.1	-172.8	-57.4	0	0	113.9	K38 Q196 R203 A312	K38-M316 PolarHBondContact NZ-OXT 3.38Å; Q196-M316 HydrophobicContact CG-SD 3.93Å; Q196-M316 VanDerWaalsContact NE2-CE 3.27Å; Q196-M316 PolarHBondContact NE2-SD 3.33Å; Q196-M316 PolarHBondContact OE1-SD 3.4Å; R203-M316 VanDerWaalsContact CZ-O 3.27Å; R203-M316 PolarHBondContact NH1-O 3.08Å; R203-M316 PolarHBondContact NH2-O 2.73Å; A312-M316 HydrophobicContact CB-CE 3.59Å; A312-M316 WeakPolarHBondContact O-CB 3.4Å; A312-M316 WeakPolarHBondContact O-CE 3.38Å; A312-M316 WeakPolarHBondContact O-CG 3.48Å; A312-M316 PolarHBondContact O-N 3.26Å

Retrieved 316 of 316 residues in 89 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).