A0A3Q0KVH9_SCHMA Loading...

Citrate synthase

AlphaFold DB , UniProt , Accession A0A3Q0KVH9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 470 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.1	Very low	36.8	Very low	229 Å²	229	172.1 Å²	172.1	100%	1.128	85%	0.852	S	S	*	*				0	111.9	0	-166.9	175.4	-88.1	0	0	106.8
2	F	36.1	Very low	37	Very low	186 Å²	186	163.8 Å²	163.8	82%	0.816	84%	0.844	S	S	*	*			trans	48.4	109.9	170.9	-66.8	-88.7	0	0	0	120
3	Q	34.3	Very low	36.8	Very low	165 Å²	165	169.5 Å²	169.5	77%	0.771	85%	0.848	S	S	*	*				79.9	122.6	69.4	-97.5	-161	-26	0	0	117.1
4	V	36.3	Very low	37.1	Very low	108 Å²	108	171.6 Å²	171.6	66%	0.655	85%	0.854	S	S	*	*			trans	82.9	127.4	138.3	-174.9	0	0	0	0	115
5	T	39.7	Very low	36.9	Very low	132 Å²	132	170.8 Å²	170.8	81%	0.81	85%	0.853	S	S	*	*				-172.7	146.9	65.1	-28.6	0	0	0	0	112.9
6	R	33	Very low	37.2	Very low	237 Å²	237	168.6 Å²	168.6	89%	0.894	85%	0.851	S	S	*	*			trans	-71.6	154.8	170.8	-77.7	176.8	166.8	-178.9	-4.1	113.6
7	R	40.9	Very low	37.5	Very low	253 Å²	253	164.3 Å²	164.3	96%	0.955	84%	0.841	S	S	*	*			trans	-145.5	131	140.8	-90.7	-169.9	177.2	-175.9	-1.3	111.9
8	S	33.4	Very low	37.5	Very low	108 Å²	108	163.9 Å²	163.9	76%	0.755	84%	0.84	S	S	*	*			trans	-92.9	150	173.4	48.7	0	0	0	0	111.4
9	V	41.6	Very low	37.6	Very low	147 Å²	147	163.4 Å²	163.4	89%	0.891	84%	0.839	S	S	*	*			trans	-133.2	129.1	163.1	177.4	0	0	0	0	108.8
10	I	32.7	Very low	37.8	Very low	148 Å²	148	160.3 Å²	160.3	76%	0.759	84%	0.839	S	S	*	*			trans	-114.8	138.5	172.6	-66.6	169.9	0	0	0	106.9
11	L	37.3	Very low	38.2	Very low	180 Å²	180	161.8 Å²	161.8	94%	0.942	84%	0.839	S	S	*	*			trans	158.9	136.9	152.1	-95.8	140.9	0	0	0	107
12	G	40.1	Very low	38.2	Very low	73 Å²	73	161.5 Å²	161.5	75%	0.753	83%	0.825	S	S	*	*			cis	-173.4	166.7	6.7	0	0	0	0	0	108.3
13	R	33.4	Very low	38.5	Very low	237 Å²	237	162.3 Å²	162.3	89%	0.894	83%	0.828	S	S	*	*			trans	-72	145.5	-174.8	-77	169.6	156.4	177.9	-7	113.7
14	E	42.2	Very low	38.9	Very low	200 Å²	200	163.3 Å²	163.3	94%	0.935	83%	0.831	S	S	*	*			trans	-139	142.4	141.6	-83.8	-164.2	153	0	0	111.2
15	L	34.1	Very low	39.1	Very low	159 Å²	159	163.4 Å²	163.4	83%	0.832	84%	0.836	S	S	*	*			trans	-102.6	132	-177.7	-86.4	135.6	0	0	0	109.9
16	T	41.7	Very low	39.3	Very low	135 Å²	135	162.1 Å²	162.1	83%	0.828	83%	0.832	S	S	*	*			trans	-163.9	101.2	152	31	0	0	0	0	107.8
17	S	42.1	Very low	39.5	Very low	96 Å²	96	156.5 Å²	156.5	67%	0.671	82%	0.824	S	S	*	*				79.6	111	97.3	76.9	0	0	0	0	116.1
18	L	37.6	Very low	40	Very low	157 Å²	157	150 Å²	150	82%	0.822	82%	0.815	S	S	*	*			trans	68.2	98.1	140.9	-68.3	153.1	0	0	0	119.1
19	N	39.7	Very low	40.8	Very low	155 Å²	155	150.8 Å²	150.8	83%	0.829	82%	0.815	S	S	*	*				-158.6	96.1	125.8	-93.9	-29.2	0	0	0	109.7	F21	N19-F21 PolarHBondContact O-N 3.19Å; N19-F21 VanDerWaalsContact O-N 3.11Å
20	A	40.2	Very low	41.9	Very low	101 Å²	101	148.6 Å²	148.6	84%	0.835	81%	0.813	S	S	*	*			trans	-76	90.8	172.5	0	0	0	0	0	109.5	R22	A20-R22 PolarHBondContact O-N 3.32Å
21	F	46.1	Very low	43.9	Very low	192 Å²	192	145.3 Å²	145.3	84%	0.842	79%	0.791	S	S	*	*			trans	-72.1	103.8	161.5	-105.1	-93.7	0	0	0	108.2	N19 K23	N19-F21 PolarHBondContact O-N 3.19Å; N19-F21 VanDerWaalsContact O-N 3.11Å; F21-K23 PolarHBondContact O-N 3.29Å
22	R	39.8	Very low	46.3	Very low	222 Å²	222	139.2 Å²	139.2	84%	0.838	77%	0.766	S	S	*	*			trans	-54.8	100.6	162.6	-98.9	178.9	171	173.6	-2.8	107.9	A20 F24	A20-R22 PolarHBondContact O-N 3.32Å; R22-F24 PolarHBondContact O-N 3.05Å; R22-F24 VanDerWaalsContact O-N 3.14Å
23	K	42.3	Very low	48.8	Very low	203 Å²	203	137.5 Å²	137.5	88%	0.883	74%	0.743	S	S	*	*			trans	-66.4	106.7	158.3	-77.4	-174	176.5	-176.8	0	106.6	F21 S25	F21-K23 PolarHBondContact O-N 3.29Å; K23-S25 VanDerWaalsContact C-N 3.31Å; K23-S25 PolarHBondContact O-N 3.08Å
24	F	43.4	Very low	51.9	Low	187 Å²	187	126.5 Å²	126.5	82%	0.82	70%	0.702	S	S	*	*			trans	-60.5	100.9	160.4	-86.7	-92.7	0	0	0	106.9	R22 S26	R22-F24 PolarHBondContact O-N 3.05Å; R22-F24 VanDerWaalsContact O-N 3.14Å; F24-S26 PolarHBondContact O-N 2.68Å; F24-S26 VanDerWaalsContact O-N 3.13Å
25	S	40.2	Very low	54.5	Low	110 Å²	110	119.3 Å²	119.3	77%	0.769	67%	0.668	S	S	*	*			trans	-64	102.7	159.8	172.3	0	0	0	0	106.3	K23 T27	K23-S25 VanDerWaalsContact C-N 3.31Å; K23-S25 PolarHBondContact O-N 3.08Å; S25-T27 PolarHBondContact O-N 3.48Å
26	S	43	Very low	57.6	Low	104 Å²	104	116.2 Å²	116.2	73%	0.727	65%	0.652	S	S	*	*			trans	-65.3	113.5	162.6	42.7	0	0	0	0	106.6	F24 P28	F24-S26 PolarHBondContact O-N 2.68Å; F24-S26 VanDerWaalsContact O-N 3.13Å; S26-P28 VanDerWaalsContact O-N 3.14Å
27	T	38.3	Very low	60.2	Low	119 Å²	119	110.8 Å²	110.8	73%	0.73	62%	0.618	S	S	*	*			trans	-47.4	122.9	161	32.7	0	0	0	0	107.4	S25 V29	S25-T27 PolarHBondContact O-N 3.48Å; T27-V29 PolarHBondContact O-N 3.11Å
28	P	51.5	Low	62.9	Low	118 Å²	118	106.2 Å²	106.2	77%	0.766	59%	0.586	S	S	*	*			trans	-58.2	120	176.4	21.8	-28.7	0	0	0	106.5	S26 A30	S26-P28 VanDerWaalsContact O-N 3.14Å; P28-A30 PolarHBondContact O-N 3.27Å
29	V	50.1	Low	65.8	Low	123 Å²	123	101 Å²	101	75%	0.745	57%	0.565	S	S	*	*			trans	-57	113.1	169.5	176.5	0	0	0	0	104.9	T27 Y31	T27-V29 PolarHBondContact O-N 3.11Å; V29-Y31 VanDerWaalsContact C-N 3.27Å; V29-Y31 VanDerWaalsContact O-CD1 3.22Å; V29-Y31 WeakPolarHBondContact O-CD1 3.42Å; V29-Y31 PolarHBondContact O-N 3.35Å
30	A	63.5	Low	68.6	Low	102 Å²	102	97.5 Å²	97.5	84%	0.843	55%	0.546	S	S	*	.			trans	-68.5	88.6	-178.3	0	0	0	0	0	108.6	P28	P28-A30 PolarHBondContact O-N 3.27Å
31	Y	75.7	Confident	71.3	Confident	79 Å²	79	94 Å²	94	31%	0.31	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-85.5	148.2	162.9	57.8	-91.2	0	0	0	108.6	V29 A133 Q134 D137	V29-Y31 VanDerWaalsContact C-N 3.27Å; V29-Y31 VanDerWaalsContact O-CD1 3.22Å; V29-Y31 WeakPolarHBondContact O-CD1 3.42Å; V29-Y31 PolarHBondContact O-N 3.35Å; Y31-A133 HydrophobicContact CD1-CB 4.06Å; Y31-A133 HydrophobicContact CE1-CB 3.68Å; Y31-A133 PolarHBondContact OH-O 3.4Å; Y31-Q134 HydrophobicContact CD2-CG 3.74Å; Y31-Q134 HydrophobicContact CE2-CG 4.18Å; Y31-Q134 HydrophobicContact CG-CG 4.2Å; Y31-D137 HydrophobicContact CE2-CB 3.84Å; Y31-D137 VanDerWaalsContact OH-CB 3.3Å; Y31-D137 WeakPolarHBondContact OH-CB 3.46Å; Y31-D137 VanDerWaalsContact OH-CG 3.31Å; Y31-D137 PolarHBondContact OH-OD1 3.2Å
32	A	86.5	Confident	73.8	Confident	51 Å²	51	85.1 Å²	85.1	42%	0.421	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-65.7	141.5	174.2	0	0	0	0	0	110	D36 I37	A32-D36 HydrophobicContact CB-CB 4.04Å; A32-I37 HydrophobicContact CB-CG1 3.86Å; A32-I37 WeakPolarHBondContact O-CD1 3.33Å
33	S	94.1	Very high	76.6	Confident	38 Å²	38	77.9 Å²	77.9	27%	0.266	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-61.4	159.8	175.1	73.4	0	0	0	0	110.6	K35 D36 I37	S33-K35 PolarHBondContact O-N 3.08Å; S33-D36 WeakPolarHBondContact CB-OD2 3.43Å; S33-D36 PolarHBondContact N-OD2 2.94Å; S33-D36 PolarHBondContact O-N 3.05Å; S33-D36 VanDerWaalsContact O-N 3.08Å; S33-D36 PolarHBondContact OG-N 3.43Å; S33-D36 VanDerWaalsContact OG-N 3.17Å; S33-D36 PolarHBondContact OG-OD2 3.3Å; S33-I37 WeakPolarHBondContact O-CG1 3.37Å; S33-I37 PolarHBondContact O-N 3.46Å
34	L	97.7	Very high	79.3	Confident	6 Å²	6	73.8 Å²	73.8	3%	0.031	44%	0.439	C	S	.	.	H	α-helix	trans	-55.2	-38.5	176.3	175.4	60	0	0	0	111.9	I37 M38 F121 F122 L125 T126 I138 Y200 M204	L34-I37 PolarHBondContact O-N 2.69Å; L34-M38 HydrophobicContact CD1-CG 4.5Å; L34-M38 VanDerWaalsContact O-CG 3.29Å; L34-M38 WeakPolarHBondContact O-CG 3.36Å; L34-M38 PolarHBondContact O-N 3.45Å; L34-F121 HydrophobicContact CD2-CD1 4.32Å; L34-F121 HydrophobicContact CD2-CE1 4.14Å; L34-F122 HydrophobicContact CD1-CD2 3.71Å; L34-F122 HydrophobicContact CD1-CE2 4.01Å; L34-F122 HydrophobicContact CD1-CG 4.33Å; L34-L125 HydrophobicContact CD1-CB 4.4Å; L34-L125 HydrophobicContact CD1-CD1 4.25Å; L34-L125 HydrophobicContact CD2-CD1 3.77Å; L34-L125 HydrophobicContact CG-CD1 4.25Å; L34-T126 HydrophobicContact CD1-CG2 3.62Å; L34-I138 HydrophobicContact CD2-CD1 3.96Å; L34-I138 HydrophobicContact CD2-CG1 4.23Å; L34-Y200 HydrophobicContact CD2-CE2 4.14Å; L34-Y200 HydrophobicContact CG-CE2 4.06Å; L34-M204 HydrophobicContact CD2-SD 4.48Å
35	K	98	Very high	81.9	Confident	49 Å²	49	66.8 Å²	66.8	21%	0.213	41%	0.408	C	S	.	.	H	α-helix	trans	-66	-40.8	177	-163.9	176.8	-172.1	173	0	112.3	S33 M38 A39 W196 Y200 E201	S33-K35 PolarHBondContact O-N 3.08Å; K35-M38 WeakPolarHBondContact O-CB 3.5Å; K35-M38 PolarHBondContact O-N 3.42Å; K35-A39 PolarHBondContact O-N 3.3Å; K35-W196 HydrophobicContact CG-CH2 4.12Å; K35-W196 HydrophobicContact CG-CZ3 4.17Å; K35-Y200 HydrophobicContact CB-CD1 4.36Å; K35-Y200 HydrophobicContact CB-CE1 3.79Å; K35-Y200 HydrophobicContact CB-CE2 4.48Å; K35-Y200 HydrophobicContact CD-CD1 3.88Å; K35-Y200 HydrophobicContact CD-CE1 3.92Å; K35-Y200 HydrophobicContact CG-CD1 3.99Å; K35-Y200 HydrophobicContact CG-CE1 3.93Å; K35-Y200 HydrophobicContact CG-CG 4.48Å; K35-E201 IonicContact NZ-OE1 2.87Å; K35-E201 PolarHBondContact NZ-OE1 3.27Å
36	D	97.6	Very high	84.6	Confident	94 Å²	94	65.3 Å²	65.3	50%	0.503	39%	0.39	S	S	.	.	H	α-helix	trans	-66.9	-39.9	176.8	-62.5	-41	0	0	0	111.6	A32 S33 M38 A39 D40	A32-D36 HydrophobicContact CB-CB 4.04Å; S33-D36 WeakPolarHBondContact CB-OD2 3.43Å; S33-D36 PolarHBondContact N-OD2 2.94Å; S33-D36 PolarHBondContact O-N 3.05Å; S33-D36 VanDerWaalsContact O-N 3.08Å; S33-D36 PolarHBondContact OG-N 3.43Å; S33-D36 VanDerWaalsContact OG-N 3.17Å; S33-D36 PolarHBondContact OG-OD2 3.3Å; D36-M38 VanDerWaalsContact C-N 3.32Å; D36-M38 PolarHBondContact O-N 3.38Å; D36-A39 PolarHBondContact O-N 3.08Å; D36-D40 PolarHBondContact O-N 3.4Å; D36-D40 VanDerWaalsContact O-N 3.08Å
37	I	97.9	Very high	87.3	Confident	21 Å²	21	63.3 Å²	63.3	11%	0.108	38%	0.379	C	S	.	.	H	α-helix	trans	-61	-44.3	174.4	-65.7	168.2	0	0	0	110	A32 S33 L34 D40 L41 F122 T126	A32-I37 HydrophobicContact CB-CG1 3.86Å; A32-I37 WeakPolarHBondContact O-CD1 3.33Å; S33-I37 WeakPolarHBondContact O-CG1 3.37Å; S33-I37 PolarHBondContact O-N 3.46Å; L34-I37 PolarHBondContact O-N 2.69Å; I37-D40 PolarHBondContact O-N 2.95Å; I37-L41 HydrophobicContact CG2-CD1 3.92Å; I37-L41 HydrophobicContact CG2-CG 4.45Å; I37-L41 VanDerWaalsContact O-CG 3.3Å; I37-L41 WeakPolarHBondContact O-CG 3.25Å; I37-L41 PolarHBondContact O-N 2.77Å; I37-L41 VanDerWaalsContact O-N 3.1Å; I37-F122 HydrophobicContact CD1-CE2 3.84Å; I37-F122 HydrophobicContact CD1-CZ 3.86Å; I37-T126 HydrophobicContact CG2-CG2 3.82Å
38	M	98	Very high	90.1	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-60.9	-45.1	174.9	-73.5	-67.3	-66.4	0	0	111.7	L34 K35 D36 D40 L41 I42 L125 T126 W196 I438 W439	L34-M38 HydrophobicContact CD1-CG 4.5Å; L34-M38 VanDerWaalsContact O-CG 3.29Å; L34-M38 WeakPolarHBondContact O-CG 3.36Å; L34-M38 PolarHBondContact O-N 3.45Å; K35-M38 WeakPolarHBondContact O-CB 3.5Å; K35-M38 PolarHBondContact O-N 3.42Å; D36-M38 VanDerWaalsContact C-N 3.32Å; D36-M38 PolarHBondContact O-N 3.38Å; M38-D40 VanDerWaalsContact C-N 3.26Å; M38-D40 PolarHBondContact O-N 3.11Å; M38-L41 PolarHBondContact O-N 2.86Å; M38-I42 HydrophobicContact CB-CD1 4.41Å; M38-I42 HydrophobicContact CE-CD1 4.31Å; M38-I42 HydrophobicContact CE-CG1 4.48Å; M38-I42 WeakPolarHBondContact O-CD1 3.41Å; M38-I42 WeakPolarHBondContact O-CG1 3.42Å; M38-I42 PolarHBondContact O-N 3.42Å; M38-L125 HydrophobicContact CE-CD2 3.95Å; M38-L125 HydrophobicContact SD-CB 3.83Å; M38-L125 HydrophobicContact SD-CD2 4.23Å; M38-T126 HydrophobicContact SD-CG2 4.45Å; M38-W196 HydrophobicContact CB-CH2 4.13Å; M38-W196 HydrophobicContact CB-CZ3 3.85Å; M38-I438 HydrophobicContact CE-CG2 3.88Å; M38-W439 HydrophobicContact CE-CD2 4.44Å; M38-W439 HydrophobicContact CE-CZ2 3.94Å; M38-W439 HydrophobicContact SD-CZ2 4.21Å
39	A	98.3	Very high	92.3	Very high	46 Å²	46	59.8 Å²	59.8	38%	0.38	35%	0.345	S	S	.	.	H	α-helix	trans	-59.3	-34.1	178.3	0	0	0	0	0	113	K35 D36 P43 W196	K35-A39 PolarHBondContact O-N 3.3Å; D36-A39 PolarHBondContact O-N 3.08Å; A39-P43 WeakPolarHBondContact O-CD 3.39Å; A39-W196 HydrophobicContact CB-CH2 4Å; A39-W196 HydrophobicContact CB-CZ2 4.02Å
40	D	97.9	Very high	94.6	Very high	83 Å²	83	56.8 Å²	56.8	44%	0.444	33%	0.333	S	S	.	.	H	α-helix	trans	-74	-34.4	173.2	173.3	63	0	0	0	113.3	D36 I37 M38 K44	D36-D40 PolarHBondContact O-N 3.4Å; D36-D40 VanDerWaalsContact O-N 3.08Å; I37-D40 PolarHBondContact O-N 2.95Å; M38-D40 VanDerWaalsContact C-N 3.26Å; M38-D40 PolarHBondContact O-N 3.11Å; D40-K44 WeakPolarHBondContact O-CE 3.36Å; D40-K44 IonicContact OD1-NZ 3.05Å; D40-K44 PolarHBondContact OD1-NZ 3.29Å; D40-K44 IonicContact OD2-NZ 3.54Å; D40-K44 PolarHBondContact OD2-NZ 3.32Å
41	L	98.1	Very high	96.3	Very high	27 Å²	27	55.3 Å²	55.3	14%	0.141	32%	0.317	C	S	.	.	H	α-helix	trans	-77.6	-39.1	-177.6	-71.3	174.4	0	0	0	113.2	I37 M38 K44 E45 T126 W439	I37-L41 HydrophobicContact CG2-CD1 3.92Å; I37-L41 HydrophobicContact CG2-CG 4.45Å; I37-L41 VanDerWaalsContact O-CG 3.3Å; I37-L41 WeakPolarHBondContact O-CG 3.25Å; I37-L41 PolarHBondContact O-N 2.77Å; I37-L41 VanDerWaalsContact O-N 3.1Å; M38-L41 PolarHBondContact O-N 2.86Å; L41-K44 WeakPolarHBondContact O-CB 3.5Å; L41-K44 PolarHBondContact O-N 3.36Å; L41-K44 VanDerWaalsContact O-N 3.14Å; L41-E45 PolarHBondContact O-N 2.92Å; L41-E45 VanDerWaalsContact O-N 3.12Å; L41-T126 HydrophobicContact CD1-CG2 4.36Å; L41-T126 WeakPolarHBondContact CD1-O 3.33Å; L41-W439 HydrophobicContact CB-CH2 4.43Å
42	I	98.4	Very high	97.4	Very high	5 Å²	5	57.7 Å²	57.7	3%	0.026	33%	0.329	C	S	.	.	H	α-helix	trans	-56.8	-48.4	-171.2	-73.8	165.3	0	0	0	113	M38 K44 E45 Q46 W196 W439 A442	M38-I42 HydrophobicContact CB-CD1 4.41Å; M38-I42 HydrophobicContact CE-CD1 4.31Å; M38-I42 HydrophobicContact CE-CG1 4.48Å; M38-I42 WeakPolarHBondContact O-CD1 3.41Å; M38-I42 WeakPolarHBondContact O-CG1 3.42Å; M38-I42 PolarHBondContact O-N 3.42Å; I42-K44 VanDerWaalsContact C-N 3.26Å; I42-K44 PolarHBondContact O-N 3.47Å; I42-E45 PolarHBondContact O-N 3.3Å; I42-Q46 HydrophobicContact CG2-CG 4.11Å; I42-Q46 WeakPolarHBondContact O-CB 3.26Å; I42-Q46 VanDerWaalsContact O-CG 3.3Å; I42-Q46 WeakPolarHBondContact O-CG 3.36Å; I42-Q46 PolarHBondContact O-N 3.42Å; I42-W196 HydrophobicContact CD1-CD2 3.33Å; I42-W196 VanDerWaalsContact CD1-CE2 3.4Å; I42-W196 HydrophobicContact CD1-CE3 3.59Å; I42-W196 HydrophobicContact CD1-CG 3.85Å; I42-W196 HydrophobicContact CD1-CH2 3.97Å; I42-W196 HydrophobicContact CD1-CZ2 3.74Å; I42-W196 HydrophobicContact CD1-CZ3 3.9Å; I42-W439 HydrophobicContact CG1-CH2 4.29Å; I42-W439 HydrophobicContact CG1-CZ3 4.2Å; I42-A442 HydrophobicContact CD1-CB 3.69Å; I42-A442 HydrophobicContact CG1-CB 3.81Å; I42-A442 HydrophobicContact CG2-CB 4.05Å
43	P	98.2	Very high	97.9	Very high	71 Å²	71	63.6 Å²	63.6	46%	0.461	34%	0.34	S	S	.	.	H	α-helix	trans	-61.1	-34.3	179.7	-24.8	34.9	0	0	0	113.3	A39 A47	A39-P43 WeakPolarHBondContact O-CD 3.39Å; P43-A47 WeakPolarHBondContact O-CB 3.39Å; P43-A47 PolarHBondContact O-N 3.02Å
44	K	98.2	Very high	98.1	Very high	117 Å²	117	70.9 Å²	70.9	51%	0.509	37%	0.367	S	S	.	.	H	α-helix	trans	-68.4	-44.6	179.1	-60.8	169.6	-169.6	163	0	110.5	D40 L41 I42 A47 K48	D40-K44 WeakPolarHBondContact O-CE 3.36Å; D40-K44 IonicContact OD1-NZ 3.05Å; D40-K44 PolarHBondContact OD1-NZ 3.29Å; D40-K44 IonicContact OD2-NZ 3.54Å; D40-K44 PolarHBondContact OD2-NZ 3.32Å; L41-K44 WeakPolarHBondContact O-CB 3.5Å; L41-K44 PolarHBondContact O-N 3.36Å; L41-K44 VanDerWaalsContact O-N 3.14Å; I42-K44 VanDerWaalsContact C-N 3.26Å; I42-K44 PolarHBondContact O-N 3.47Å; K44-A47 PolarHBondContact O-N 3.18Å; K44-K48 WeakPolarHBondContact O-CB 3.48Å; K44-K48 PolarHBondContact O-N 3.32Å
45	E	98.1	Very high	98.2	Very high	39 Å²	39	76.7 Å²	76.7	18%	0.182	39%	0.394	C	S	.	.	H	α-helix	trans	-71.3	-39.4	179	-159.5	60.2	-150.6	0	0	111.8	L41 I42 A47 K48 V49 W439 L443	L41-E45 PolarHBondContact O-N 2.92Å; L41-E45 VanDerWaalsContact O-N 3.12Å; I42-E45 PolarHBondContact O-N 3.3Å; E45-A47 VanDerWaalsContact C-N 3.31Å; E45-A47 PolarHBondContact O-N 2.88Å; E45-K48 PolarHBondContact O-N 3.01Å; E45-K48 WeakPolarHBondContact OE1-CD 3.47Å; E45-K48 WeakPolarHBondContact OE1-CE 3.36Å; E45-K48 IonicContact OE1-NZ 2.97Å; E45-K48 PolarHBondContact OE1-NZ 3.49Å; E45-K48 IonicContact OE2-NZ 3.43Å; E45-V49 WeakPolarHBondContact O-CG2 3.18Å; E45-V49 PolarHBondContact O-N 3.49Å; E45-W439 HydrophobicContact CB-CH2 3.98Å; E45-W439 HydrophobicContact CB-CZ3 3.7Å; E45-W439 HydrophobicContact CG-CH2 4.22Å; E45-W439 HydrophobicContact CG-CZ3 3.82Å; E45-L443 HydrophobicContact CG-CD2 4.24Å
46	Q	98.4	Very high	98.2	Very high	80 Å²	80	79.5 Å²	79.5	37%	0.374	40%	0.404	S	S	.	.	H	α-helix	trans	-56.2	-45.4	171.5	-76	175.1	-15.2	0	0	111.6	I42 A50 A442 L443	I42-Q46 HydrophobicContact CG2-CG 4.11Å; I42-Q46 WeakPolarHBondContact O-CB 3.26Å; I42-Q46 VanDerWaalsContact O-CG 3.3Å; I42-Q46 WeakPolarHBondContact O-CG 3.36Å; I42-Q46 PolarHBondContact O-N 3.42Å; Q46-A50 VanDerWaalsContact O-CB 3.23Å; Q46-A50 WeakPolarHBondContact O-CB 3.45Å; Q46-A50 PolarHBondContact O-N 2.87Å; Q46-A442 PolarHBondContact NE2-O 3.48Å; Q46-L443 HydrophobicContact CG-CD2 4.4Å
47	A	98.5	Very high	98.2	Very high	62 Å²	62	77.8 Å²	77.8	51%	0.512	41%	0.408	S	S	.	.	H	α-helix	trans	-64.6	-42.5	177.6	0	0	0	0	0	112.1	P43 K44 E45 A50 S51	P43-A47 WeakPolarHBondContact O-CB 3.39Å; P43-A47 PolarHBondContact O-N 3.02Å; K44-A47 PolarHBondContact O-N 3.18Å; E45-A47 VanDerWaalsContact C-N 3.31Å; E45-A47 PolarHBondContact O-N 2.88Å; A47-A50 PolarHBondContact O-N 2.89Å; A47-S51 WeakPolarHBondContact O-CB 3.28Å; A47-S51 PolarHBondContact O-N 3.42Å
48	K	98.3	Very high	98.2	Very high	125 Å²	125	82.8 Å²	82.8	54%	0.543	45%	0.446	S	S	.	.	H	α-helix	trans	-60.3	-50.3	175.4	175.6	-178.9	157.6	-143.9	0	111.7	K44 E45 A50 S51 F52	K44-K48 WeakPolarHBondContact O-CB 3.48Å; K44-K48 PolarHBondContact O-N 3.32Å; E45-K48 PolarHBondContact O-N 3.01Å; E45-K48 WeakPolarHBondContact OE1-CD 3.47Å; E45-K48 WeakPolarHBondContact OE1-CE 3.36Å; E45-K48 IonicContact OE1-NZ 2.97Å; E45-K48 PolarHBondContact OE1-NZ 3.49Å; E45-K48 IonicContact OE2-NZ 3.43Å; K48-A50 PolarHBondContact O-N 3.18Å; K48-S51 PolarHBondContact O-N 2.88Å; K48-F52 WeakPolarHBondContact O-CB 3.36Å; K48-F52 PolarHBondContact O-N 2.7Å
49	V	97.9	Very high	98.2	Very high	37 Å²	37	86.9 Å²	86.9	22%	0.224	47%	0.47	C	S	.	.	H	α-helix	trans	-62.7	-42	177.9	172.7	0	0	0	0	111	E45 S51 F52 R53 L443	E45-V49 WeakPolarHBondContact O-CG2 3.18Å; E45-V49 PolarHBondContact O-N 3.49Å; V49-S51 PolarHBondContact O-N 3.43Å; V49-F52 PolarHBondContact O-N 2.98Å; V49-R53 HydrophobicContact CG1-CG 4.34Å; V49-R53 WeakPolarHBondContact O-CB 3.45Å; V49-R53 VanDerWaalsContact O-CG 3.32Å; V49-R53 WeakPolarHBondContact O-CG 3.24Å; V49-R53 PolarHBondContact O-N 3.04Å; V49-L443 HydrophobicContact CG2-CD2 4.08Å
50	A	98.2	Very high	98.2	Very high	61 Å²	61	93.2 Å²	93.2	50%	0.504	49%	0.489	S	S	.	.	H	α-helix	trans	-61.7	-43.4	176.5	0	0	0	0	0	112	Q46 A47 K48 K54	Q46-A50 VanDerWaalsContact O-CB 3.23Å; Q46-A50 WeakPolarHBondContact O-CB 3.45Å; Q46-A50 PolarHBondContact O-N 2.87Å; A47-A50 PolarHBondContact O-N 2.89Å; K48-A50 PolarHBondContact O-N 3.18Å; A50-K54 WeakPolarHBondContact O-CB 3.31Å; A50-K54 PolarHBondContact O-N 3.14Å
51	S	98.6	Very high	98.1	Very high	71 Å²	71	93.9 Å²	93.9	50%	0.497	50%	0.497	S	S	.	.	H	α-helix	trans	-63.4	-48.5	175.7	-167.8	0	0	0	0	111.7	A47 K48 V49 R53 K54 E55	A47-S51 WeakPolarHBondContact O-CB 3.28Å; A47-S51 PolarHBondContact O-N 3.42Å; K48-S51 PolarHBondContact O-N 2.88Å; V49-S51 PolarHBondContact O-N 3.43Å; S51-R53 VanDerWaalsContact C-N 3.35Å; S51-R53 PolarHBondContact O-N 3.46Å; S51-K54 WeakPolarHBondContact O-CB 3.38Å; S51-K54 PolarHBondContact O-N 2.91Å; S51-K54 VanDerWaalsContact O-N 3.17Å; S51-E55 PolarHBondContact O-N 3.48Å
52	F	98.5	Very high	98.1	Very high	129 Å²	129	95.1 Å²	95.1	57%	0.566	52%	0.516	S	S	*	.	H	α-helix	trans	-58.8	-44.8	178.5	175.4	-112.4	0	0	0	112	K48 V49 K54 E55 Y56	K48-F52 WeakPolarHBondContact O-CB 3.36Å; K48-F52 PolarHBondContact O-N 2.7Å; V49-F52 PolarHBondContact O-N 2.98Å; F52-K54 VanDerWaalsContact C-N 3.35Å; F52-K54 PolarHBondContact O-N 3.16Å; F52-E55 PolarHBondContact O-N 3.22Å; F52-Y56 AromaticContact CD2-CD2 3.6Å; F52-Y56 HydrophobicContact CD2-CD2 3.6Å; F52-Y56 HydrophobicContact CD2-CE2 4.39Å; F52-Y56 HydrophobicContact CD2-CG 4.34Å; F52-Y56 AromaticContact CE2-CD2 3.65Å; F52-Y56 HydrophobicContact CE2-CD2 3.65Å; F52-Y56 HydrophobicContact CE2-CG 4.01Å; F52-Y56 PolarHBondContact O-N 3.32Å
53	R	97.9	Very high	98	Very high	174 Å²	174	100.7 Å²	100.7	66%	0.657	55%	0.546	S	S	*	.	H	α-helix	trans	-68.6	-31.9	177.6	-70.8	-176.6	68.3	-165.7	0.1	113	V49 S51 E55 G57	V49-R53 HydrophobicContact CG1-CG 4.34Å; V49-R53 WeakPolarHBondContact O-CB 3.45Å; V49-R53 VanDerWaalsContact O-CG 3.32Å; V49-R53 WeakPolarHBondContact O-CG 3.24Å; V49-R53 PolarHBondContact O-N 3.04Å; S51-R53 VanDerWaalsContact C-N 3.35Å; S51-R53 PolarHBondContact O-N 3.46Å; R53-E55 VanDerWaalsContact C-N 3.35Å; R53-G57 WeakPolarHBondContact O-CA 2.98Å; R53-G57 PolarHBondContact O-N 3.49Å
54	K	98.3	Very high	97.9	Very high	192 Å²	192	101.8 Å²	101.8	84%	0.835	55%	0.551	S	S	*	*	H	α-helix	trans	-65.5	-39.7	174.5	-177	-178.3	176.8	-175.2	0	111.4	A50 S51 F52	A50-K54 WeakPolarHBondContact O-CB 3.31Å; A50-K54 PolarHBondContact O-N 3.14Å; S51-K54 WeakPolarHBondContact O-CB 3.38Å; S51-K54 PolarHBondContact O-N 2.91Å; S51-K54 VanDerWaalsContact O-N 3.17Å; F52-K54 VanDerWaalsContact C-N 3.35Å; F52-K54 PolarHBondContact O-N 3.16Å
55	E	98.4	Very high	97.8	Very high	127 Å²	127	99.2 Å²	99.2	59%	0.593	55%	0.545	S	S	*	.	H	α-helix	trans	-82.2	-42.9	-178.1	-168.2	177.7	162.5	0	0	112.7	S51 F52 R53	S51-E55 PolarHBondContact O-N 3.48Å; F52-E55 PolarHBondContact O-N 3.22Å; R53-E55 VanDerWaalsContact C-N 3.35Å
56	Y	98.3	Very high	97.8	Very high	108 Å²	108	100.2 Å²	100.2	42%	0.424	55%	0.553	S	S	.	*	H	α-helix	trans	-119.2	5.8	-168.7	-62.9	-76.6	0	0	0	115	F52 S58 T59	F52-Y56 AromaticContact CD2-CD2 3.6Å; F52-Y56 HydrophobicContact CD2-CD2 3.6Å; F52-Y56 HydrophobicContact CD2-CE2 4.39Å; F52-Y56 HydrophobicContact CD2-CG 4.34Å; F52-Y56 AromaticContact CE2-CD2 3.65Å; F52-Y56 HydrophobicContact CE2-CD2 3.65Å; F52-Y56 HydrophobicContact CE2-CG 4.01Å; F52-Y56 PolarHBondContact O-N 3.32Å; Y56-S58 PolarHBondContact O-N 2.85Å; Y56-T59 WeakPolarHBondContact CA-OG1 3.26Å; Y56-T59 VanDerWaalsContact O-CB 3.23Å; Y56-T59 WeakPolarHBondContact O-CB 3.38Å; Y56-T59 PolarHBondContact O-N 3.2Å; Y56-T59 PolarHBondContact O-OG1 2.93Å
57	G	97.4	Very high	97.8	Very high	58 Å²	58	102.6 Å²	102.6	60%	0.598	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59	-18.4	-170.8	0	0	0	0	0	116.4	R53	R53-G57 WeakPolarHBondContact O-CA 2.98Å; R53-G57 PolarHBondContact O-N 3.49Å
58	S	97.8	Very high	97.7	Very high	127 Å²	127	102 Å²	102	89%	0.888	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.9	5	175.5	-56.3	0	0	0	0	114	Y56	Y56-S58 PolarHBondContact O-N 2.85Å
59	T	98.4	Very high	97.7	Very high	85 Å²	85	99.3 Å²	99.3	52%	0.521	55%	0.546	S	S	.	.			trans	-71.7	130.4	-180	-51.9	0	0	0	0	110.4	Y56	Y56-T59 WeakPolarHBondContact CA-OG1 3.26Å; Y56-T59 VanDerWaalsContact O-CB 3.23Å; Y56-T59 WeakPolarHBondContact O-CB 3.38Å; Y56-T59 PolarHBondContact O-N 3.2Å; Y56-T59 PolarHBondContact O-OG1 2.93Å
60	K	97.8	Very high	97.7	Very high	179 Å²	179	103.7 Å²	103.7	78%	0.778	56%	0.56	S	S	*	*			trans	-74.3	133.3	175.8	-64.2	-176.3	178.3	-175.4	0	110.7
61	V	97.1	Very high	97.6	Very high	98 Å²	98	102.4 Å²	102.4	59%	0.594	55%	0.552	S	S	*	*			trans	-115.8	3.2	-179.7	-62.5	0	0	0	0	114.1	K77	V61-K77 HydrophobicContact CG2-CB 4.5Å; V61-K77 PolarHBondContact O-NZ 3.31Å; V61-K77 VanDerWaalsContact O-NZ 3.16Å
62	G	96.5	Very high	97.6	Very high	53 Å²	53	102.2 Å²	102.2	55%	0.546	56%	0.561	S	S	.	*			trans	163.2	167.1	179.4	0	0	0	0	0	110.8
63	D	96.2	Very high	97.5	Very high	122 Å²	122	100.5 Å²	100.5	65%	0.652	56%	0.556	S	S	*	*			trans	-98.8	163.3	171.5	-64.4	-55.8	0	0	0	110.7
64	V	96.9	Very high	97.3	Very high	93 Å²	93	101.5 Å²	101.5	56%	0.564	56%	0.56	S	S	*	*			trans	-117	121.9	172	178.3	0	0	0	0	108.1	M69 I76	V64-M69 HydrophobicContact CG1-CG 4.03Å; V64-M69 HydrophobicContact CG1-SD 4.49Å; V64-I76 HydrophobicContact CG1-CD1 3.95Å; V64-I76 HydrophobicContact CG2-CD1 4.24Å
65	T	96.9	Very high	97.1	Very high	63 Å²	63	95.5 Å²	95.5	39%	0.387	55%	0.552	S	S	.	*			trans	-105.9	163.8	178.3	73.5	0	0	0	0	111.5	D67 M68 M69	T65-D67 VanDerWaalsContact C-N 3.27Å; T65-D67 PolarHBondContact O-N 3.43Å; T65-M68 HydrophobicContact CG2-CE 4.22Å; T65-M68 HydrophobicContact CG2-SD 4.3Å; T65-M68 PolarHBondContact O-N 3.1Å; T65-M68 VanDerWaalsContact O-N 3.15Å; T65-M68 WeakPolarHBondContact OG1-CG 3.37Å; T65-M68 PolarHBondContact OG1-N 2.83Å; T65-M69 PolarHBondContact O-N 2.95Å
66	V	97.4	Very high	97	Very high	60 Å²	60	91.8 Å²	91.8	36%	0.364	54%	0.536	S	S	.	.	H	α-helix	trans	-55.9	-43.8	174.5	176	0	0	0	0	110.9	M68 M69 Y70 V462	V66-M68 VanDerWaalsContact C-N 3.3Å; V66-M68 PolarHBondContact O-N 2.96Å; V66-M69 WeakPolarHBondContact O-CB 3.31Å; V66-M69 PolarHBondContact O-N 3.36Å; V66-M69 VanDerWaalsContact O-N 3.1Å; V66-Y70 HydrophobicContact CG1-CD2 3.76Å; V66-Y70 HydrophobicContact CG1-CE2 3.65Å; V66-Y70 WeakPolarHBondContact O-CD2 3.49Å; V66-Y70 PolarHBondContact O-N 2.95Å; V66-Y70 VanDerWaalsContact O-N 3.13Å; V66-V462 HydrophobicContact CG2-CG2 4.02Å
67	D	97.9	Very high	97	Very high	131 Å²	131	94 Å²	94	70%	0.701	55%	0.548	S	S	*	.	H	α-helix	trans	-62.3	-35.5	178.2	-72.3	-32.3	0	0	0	112.9	T65 M69 G71	T65-D67 VanDerWaalsContact C-N 3.27Å; T65-D67 PolarHBondContact O-N 3.43Å; D67-M69 VanDerWaalsContact C-N 3.3Å; D67-M69 PolarHBondContact O-N 3.48Å; D67-G71 WeakPolarHBondContact O-CA 3.49Å; D67-G71 PolarHBondContact O-N 3.23Å
68	M	97.7	Very high	97	Very high	48 Å²	48	94 Å²	94	24%	0.236	55%	0.548	C	S	.	.	H	α-helix	trans	-67.9	-32.7	176.3	-63.9	172.2	178.9	0	0	111.9	T65 V66 M73 R74 I76	T65-M68 HydrophobicContact CG2-CE 4.22Å; T65-M68 HydrophobicContact CG2-SD 4.3Å; T65-M68 PolarHBondContact O-N 3.1Å; T65-M68 VanDerWaalsContact O-N 3.15Å; T65-M68 WeakPolarHBondContact OG1-CG 3.37Å; T65-M68 PolarHBondContact OG1-N 2.83Å; V66-M68 VanDerWaalsContact C-N 3.3Å; V66-M68 PolarHBondContact O-N 2.96Å; M68-M73 VanDerWaalsContact O-CA 3.3Å; M68-M73 WeakPolarHBondContact O-CA 3.49Å; M68-M73 PolarHBondContact O-N 3.43Å; M68-R74 WeakPolarHBondContact CG-O 3.39Å; M68-I76 HydrophobicContact CB-CD1 3.81Å; M68-I76 HydrophobicContact CB-CG1 3.83Å; M68-I76 HydrophobicContact CG-CG1 4.27Å; M68-I76 HydrophobicContact SD-CG1 3.87Å
69	M	97.7	Very high	97	Very high	70 Å²	70	91 Å²	91	35%	0.345	52%	0.522	S	S	.	.	H	α-helix	trans	-69.9	-44.1	176.7	-63.2	-175.9	66.7	0	0	111.9	V64 T65 V66 D67 L453 L458	V64-M69 HydrophobicContact CG1-CG 4.03Å; V64-M69 HydrophobicContact CG1-SD 4.49Å; T65-M69 PolarHBondContact O-N 2.95Å; V66-M69 WeakPolarHBondContact O-CB 3.31Å; V66-M69 PolarHBondContact O-N 3.36Å; V66-M69 VanDerWaalsContact O-N 3.1Å; D67-M69 VanDerWaalsContact C-N 3.3Å; D67-M69 PolarHBondContact O-N 3.48Å; M69-L453 HydrophobicContact CE-CB 4.16Å; M69-L453 HydrophobicContact CE-CD1 4.14Å; M69-L453 HydrophobicContact CE-CG 4.33Å; M69-L458 HydrophobicContact CE-CD1 4.34Å; M69-L458 HydrophobicContact CE-CD2 3.87Å; M69-L458 HydrophobicContact SD-CD1 4.42Å; M69-L458 HydrophobicContact SD-CD2 3.59Å; M69-L458 VanDerWaalsContact SD-CD2 3.59Å
70	Y	98.1	Very high	97	Very high	129 Å²	129	91 Å²	91	51%	0.506	52%	0.522	S	S	.	.	H	α-helix	trans	-72.8	-31.2	173.9	-75.5	-75.1	0	0	0	112.8	V66 G72 T455 L458	V66-Y70 HydrophobicContact CG1-CD2 3.76Å; V66-Y70 HydrophobicContact CG1-CE2 3.65Å; V66-Y70 WeakPolarHBondContact O-CD2 3.49Å; V66-Y70 PolarHBondContact O-N 2.95Å; V66-Y70 VanDerWaalsContact O-N 3.13Å; Y70-G72 PolarHBondContact O-N 3.43Å; Y70-T455 WeakPolarHBondContact OH-CA 3.22Å; Y70-T455 VanDerWaalsContact OH-CB 3.31Å; Y70-T455 WeakPolarHBondContact OH-CB 3.38Å; Y70-T455 WeakPolarHBondContact OH-CG2 3.45Å; Y70-T455 PolarHBondContact OH-OG1 3.5Å; Y70-L458 HydrophobicContact CE2-CD1 3.99Å
71	G	96.6	Very high	97	Very high	34 Å²	34	84 Å²	84	35%	0.351	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	18	-175.3	0	0	0	0	0	115.2	D67 R74	D67-G71 WeakPolarHBondContact O-CA 3.49Å; D67-G71 PolarHBondContact O-N 3.23Å; G71-R74 WeakPolarHBondContact O-CB 3.23Å; G71-R74 PolarHBondContact O-N 2.87Å
72	G	96.9	Very high	96.9	Very high	66 Å²	66	81.9 Å²	81.9	68%	0.68	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.6	44.7	178.1	0	0	0	0	0	113.4	Y70 R74	Y70-G72 PolarHBondContact O-N 3.43Å; G72-R74 PolarHBondContact O-N 3.01Å
73	M	97.6	Very high	97	Very high	94 Å²	94	79.3 Å²	79.3	46%	0.463	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.9	19.9	-179.6	-51.4	-172.8	-171.5	0	0	114.9	M68 G75 I76 P450	M68-M73 VanDerWaalsContact O-CA 3.3Å; M68-M73 WeakPolarHBondContact O-CA 3.49Å; M68-M73 PolarHBondContact O-N 3.43Å; M73-G75 PolarHBondContact O-N 2.87Å; M73-G75 VanDerWaalsContact O-N 3.09Å; M73-I76 HydrophobicContact CB-CB 4.26Å; M73-I76 HydrophobicContact CB-CD1 4.04Å; M73-I76 HydrophobicContact CB-CG1 4.36Å; M73-I76 HydrophobicContact CG-CD1 4.29Å; M73-I76 WeakPolarHBondContact O-CB 3.33Å; M73-I76 PolarHBondContact O-N 3.05Å; M73-P450 HydrophobicContact CE-CB 4.23Å; M73-P450 HydrophobicContact CE-CG 4.27Å
74	R	94.2	Very high	97.1	Very high	195 Å²	195	73.6 Å²	73.6	74%	0.736	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	117.6	178.3	-176.2	-178	-59.6	-90	-2.7	111.1	M68 G71 G72 I76	M68-R74 WeakPolarHBondContact CG-O 3.39Å; G71-R74 WeakPolarHBondContact O-CB 3.23Å; G71-R74 PolarHBondContact O-N 2.87Å; G72-R74 PolarHBondContact O-N 3.01Å; R74-I76 VanDerWaalsContact C-N 3.34Å
75	G	92.9	Very high	97.2	Very high	65 Å²	65	73.2 Å²	73.2	67%	0.67	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.5	-4.6	179	0	0	0	0	0	115.4	M73	M73-G75 PolarHBondContact O-N 2.87Å; M73-G75 VanDerWaalsContact O-N 3.09Å
76	I	97.2	Very high	97.1	Very high	49 Å²	49	71.8 Å²	71.8	25%	0.251	41%	0.408	S	S	.	.			trans	-79	126.2	174.7	-56.6	-177	0	0	0	109.5	V64 M68 M73 R74 G78	V64-I76 HydrophobicContact CG1-CD1 3.95Å; V64-I76 HydrophobicContact CG2-CD1 4.24Å; M68-I76 HydrophobicContact CB-CD1 3.81Å; M68-I76 HydrophobicContact CB-CG1 3.83Å; M68-I76 HydrophobicContact CG-CG1 4.27Å; M68-I76 HydrophobicContact SD-CG1 3.87Å; M73-I76 HydrophobicContact CB-CB 4.26Å; M73-I76 HydrophobicContact CB-CD1 4.04Å; M73-I76 HydrophobicContact CB-CG1 4.36Å; M73-I76 HydrophobicContact CG-CD1 4.29Å; M73-I76 WeakPolarHBondContact O-CB 3.33Å; M73-I76 PolarHBondContact O-N 3.05Å; R74-I76 VanDerWaalsContact C-N 3.34Å; I76-G78 PolarHBondContact O-N 3.42Å; I76-G78 VanDerWaalsContact O-N 3.07Å
77	K	97.3	Very high	97	Very high	155 Å²	155	71 Å²	71	67%	0.674	40%	0.402	S	S	*	.			trans	-78.7	85	168.4	-61	-176.8	-172.1	72.5	0	109.2	V61	V61-K77 HydrophobicContact CG2-CB 4.5Å; V61-K77 PolarHBondContact O-NZ 3.31Å; V61-K77 VanDerWaalsContact O-NZ 3.16Å
78	G	97.4	Very high	96.7	Very high	59 Å²	59	67.4 Å²	67.4	61%	0.608	39%	0.385	S	S	*	.			trans	-99	-17.6	-166	0	0	0	0	0	117.1	I76	I76-G78 PolarHBondContact O-N 3.42Å; I76-G78 VanDerWaalsContact O-N 3.07Å
79	L	98.2	Very high	96.4	Very high	62 Å²	62	69 Å²	69	33%	0.325	39%	0.394	S	S	.	.			trans	-143.7	165	-176.8	64.7	141.7	0	0	0	111.9
80	V	98.1	Very high	96.1	Very high	86 Å²	86	69.5 Å²	69.5	52%	0.521	40%	0.396	S	S	.	.			trans	-104	133.7	171.8	177.3	0	0	0	0	108.2	E82	V80-E82 HydrophobicContact CG1-CG 4.49Å; V80-E82 WeakPolarHBondContact CG1-OE1 3.42Å
81	T	97.4	Very high	96	Very high	31 Å²	31	63.4 Å²	63.4	19%	0.19	37%	0.372	C	S	.	.			trans	-136.4	137.4	170.7	-173.6	0	0	0	0	108.4	E267	T81-E267 HydrophobicContact CG2-CB 4.43Å
82	E	96.2	Very high	96	Very high	54 Å²	54	61.8 Å²	61.8	25%	0.252	36%	0.355	S	S	.	.			trans	-108.6	-19.5	-168.4	-63.4	-67.8	173.6	0	0	113	V80 R95 L443	V80-E82 HydrophobicContact CG1-CG 4.49Å; V80-E82 WeakPolarHBondContact CG1-OE1 3.42Å; E82-R95 VanDerWaalsContact O-CD 3.26Å; E82-R95 WeakPolarHBondContact O-CD 3.1Å; E82-R95 VanDerWaalsContact O-CZ 3.3Å; E82-R95 PolarHBondContact O-NE 3.03Å; E82-R95 PolarHBondContact O-NH1 3.4Å; E82-R95 VanDerWaalsContact O-NH1 3.11Å; E82-L443 HydrophobicContact CG-CD1 4.33Å
83	T	98.5	Very high	96.1	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.334	C	S	.	.	S	Bend	trans	-82.4	-37.4	-167.6	45.7	0	0	0	0	112.6	R95 L124 D265 A435	T83-R95 PolarHBondContact O-N 3.47Å; T83-L124 HydrophobicContact CG2-CB 4.27Å; T83-L124 WeakPolarHBondContact O-CD2 3.34Å; T83-D265 WeakPolarHBondContact CB-OD2 3.3Å; T83-D265 PolarHBondContact OG1-OD2 2.74Å; T83-A435 HydrophobicContact CG2-CB 4.02Å
84	S	98.6	Very high	96.2	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.007	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	150.8	178.6	63.3	0	0	0	0	113.6	R93 D265 E267	S84-R93 WeakPolarHBondContact CA-O 2.73Å; S84-R93 VanDerWaalsContact CB-O 3.27Å; S84-R93 WeakPolarHBondContact CB-O 2.99Å; S84-D265 VanDerWaalsContact CB-OD2 3.28Å; S84-D265 WeakPolarHBondContact CB-OD2 3.39Å; S84-D265 PolarHBondContact N-OD2 3.46Å; S84-D265 PolarHBondContact OG-OD2 3.09Å; S84-E267 PolarHBondContact OG-N 2.94Å
85	V	98	Very high	96.4	Very high	85 Å²	85	50.6 Å²	50.6	52%	0.515	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	134.7	178.1	179	0	0	0	0	108.9	D87 R93	V85-D87 PolarHBondContact O-N 3.33Å; V85-R93 PolarHBondContact N-O 2.76Å; V85-R93 VanDerWaalsContact N-O 3.12Å; V85-R93 PolarHBondContact O-N 3.15Å
86	L	96.2	Very high	96.6	Very high	33 Å²	33	49.7 Å²	49.7	17%	0.173	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	116.6	177.2	-178.4	67.9	0	0	0	110.5	I92 E267 V350 L351	L86-I92 HydrophobicContact CB-CD1 4.39Å; L86-I92 HydrophobicContact CD1-CB 4.47Å; L86-E267 HydrophobicContact CB-CG 4.32Å; L86-E267 WeakPolarHBondContact CB-OE1 3.45Å; L86-E267 PolarHBondContact N-OE1 3.24Å; L86-V350 HydrophobicContact CD2-CB 4.12Å; L86-V350 HydrophobicContact CD2-CG1 3.71Å; L86-L351 HydrophobicContact CD1-CD1 4.35Å
87	D	95	Very high	96.6	Very high	44 Å²	44	48.9 Å²	48.9	24%	0.235	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	120.8	165.6	-173.8	-36.8	0	0	0	108.8	V85 N89 E90 G91 R93	V85-D87 PolarHBondContact O-N 3.33Å; D87-N89 PolarHBondContact O-N 3.16Å; D87-N89 VanDerWaalsContact O-N 3.1Å; D87-N89 PolarHBondContact OD1-N 3.27Å; D87-E90 HydrophobicContact CB-CB 4Å; D87-E90 PolarHBondContact O-N 3.45Å; D87-E90 PolarHBondContact OD1-N 2.97Å; D87-E90 VanDerWaalsContact OD1-N 3.09Å; D87-G91 WeakPolarHBondContact CB-O 3.27Å; D87-G91 PolarHBondContact N-O 2.87Å; D87-G91 WeakPolarHBondContact O-CA 3.36Å; D87-G91 PolarHBondContact O-N 3.25Å; D87-R93 HydrophobicContact CB-CG 4.28Å; D87-R93 IonicContact OD2-CZ 2.87Å; D87-R93 IonicContact OD2-NE 3.36Å; D87-R93 PolarHBondContact OD2-NE 3.12Å; D87-R93 IonicContact OD2-NH2 3.33Å; D87-R93 PolarHBondContact OD2-NH2 3.13Å
88	V	90.6	Very high	96.7	Very high	56 Å²	56	42 Å²	42	34%	0.339	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-23.4	-177.4	-60.3	0	0	0	0	113.5	V350 R352	V88-V350 HydrophobicContact CG1-CG1 3.93Å; V88-R352 PolarHBondContact O-N 2.92Å
89	N	91.2	Very high	96.7	Very high	82 Å²	82	39.1 Å²	39.1	44%	0.439	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-26.6	-179.5	-60.6	-47	0	0	0	112.6	D87 K353	D87-N89 PolarHBondContact O-N 3.16Å; D87-N89 VanDerWaalsContact O-N 3.1Å; D87-N89 PolarHBondContact OD1-N 3.27Å; N89-K353 WeakPolarHBondContact O-CD 3.31Å; N89-K353 WeakPolarHBondContact O-CE 3.42Å; N89-K353 PolarHBondContact O-NZ 2.78Å
90	E	92.8	Very high	96.6	Very high	80 Å²	80	39.5 Å²	39.5	37%	0.374	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115	-3.8	-174.1	-64.2	-57.2	133.2	0	0	114.8	D87 R93 K353 P356	D87-E90 HydrophobicContact CB-CB 4Å; D87-E90 PolarHBondContact O-N 3.45Å; D87-E90 PolarHBondContact OD1-N 2.97Å; D87-E90 VanDerWaalsContact OD1-N 3.09Å; E90-R93 VanDerWaalsContact CB-NH2 3.35Å; E90-R93 VanDerWaalsContact CG-NH2 3.3Å; E90-K353 IonicContact OE1-NZ 2.71Å; E90-K353 PolarHBondContact OE1-NZ 2.67Å; E90-K353 IonicContact OE2-NZ 2.96Å; E90-K353 PolarHBondContact OE2-NZ 2.95Å; E90-P356 WeakPolarHBondContact O-CG 3.36Å
91	G	95.3	Very high	96.6	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	84.2	-167.4	-176.5	0	0	0	0	0	113	D87 R93	D87-G91 WeakPolarHBondContact CB-O 3.27Å; D87-G91 PolarHBondContact N-O 2.87Å; D87-G91 WeakPolarHBondContact O-CA 3.36Å; D87-G91 PolarHBondContact O-N 3.25Å; G91-R93 PolarHBondContact O-N 3.38Å
92	I	97.4	Very high	96.6	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	135.4	-177.8	-168.5	63.6	0	0	0	110.5	L86 F94 I99 E267 R357	L86-I92 HydrophobicContact CB-CD1 4.39Å; L86-I92 HydrophobicContact CD1-CB 4.47Å; I92-F94 HydrophobicContact CG1-CD1 4.43Å; I92-F94 HydrophobicContact CG1-CE1 3.91Å; I92-F94 HydrophobicContact CG2-CE1 4.27Å; I92-F94 HydrophobicContact CG2-CZ 4.14Å; I92-I99 HydrophobicContact CG2-CD1 3.9Å; I92-I99 HydrophobicContact CG2-CG1 4.1Å; I92-E267 HydrophobicContact CD1-CG 4.06Å; I92-R357 HydrophobicContact CG2-CG 4.39Å
93	R	98.3	Very high	96.7	Very high	62 Å²	62	35.4 Å²	35.4	23%	0.234	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	131.2	174.5	-65.4	179	176.2	-79.9	-2.3	110.6	S84 V85 D87 E90 G91 G96 L97	S84-R93 WeakPolarHBondContact CA-O 2.73Å; S84-R93 VanDerWaalsContact CB-O 3.27Å; S84-R93 WeakPolarHBondContact CB-O 2.99Å; V85-R93 PolarHBondContact N-O 2.76Å; V85-R93 VanDerWaalsContact N-O 3.12Å; V85-R93 PolarHBondContact O-N 3.15Å; D87-R93 HydrophobicContact CB-CG 4.28Å; D87-R93 IonicContact OD2-CZ 2.87Å; D87-R93 IonicContact OD2-NE 3.36Å; D87-R93 PolarHBondContact OD2-NE 3.12Å; D87-R93 IonicContact OD2-NH2 3.33Å; D87-R93 PolarHBondContact OD2-NH2 3.13Å; E90-R93 VanDerWaalsContact CB-NH2 3.35Å; E90-R93 VanDerWaalsContact CG-NH2 3.3Å; G91-R93 PolarHBondContact O-N 3.38Å; R93-G96 PolarHBondContact NH1-O 3.36Å; R93-L97 CarbonylContact C-O 3.41Å; R93-L97 WeakPolarHBondContact CA-O 3.32Å
94	F	98.6	Very high	96.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	107.5	174.6	-57.1	-44.5	0	0	0	108.9	I92 G96 L97 I99 I120 L123 L124 D265	I92-F94 HydrophobicContact CG1-CD1 4.43Å; I92-F94 HydrophobicContact CG1-CE1 3.91Å; I92-F94 HydrophobicContact CG2-CE1 4.27Å; I92-F94 HydrophobicContact CG2-CZ 4.14Å; F94-G96 PolarHBondContact O-N 3.1Å; F94-G96 VanDerWaalsContact O-N 3.15Å; F94-L97 PolarHBondContact N-O 3.2Å; F94-L97 PolarHBondContact O-N 2.93Å; F94-I99 HydrophobicContact CD2-CD1 4.01Å; F94-I99 HydrophobicContact CE2-CD1 3.23Å; F94-I99 HydrophobicContact CZ-CD1 3.7Å; F94-I120 HydrophobicContact CB-CD1 3.98Å; F94-I120 HydrophobicContact CD2-CD1 3.5Å; F94-I120 VanDerWaalsContact CD2-CD1 3.5Å; F94-I120 HydrophobicContact CD2-CG1 4.24Å; F94-I120 HydrophobicContact CE2-CD1 4.21Å; F94-I120 HydrophobicContact CG-CD1 3.95Å; F94-L123 HydrophobicContact CB-CD2 3.99Å; F94-L124 HydrophobicContact CB-CD2 3.88Å; F94-L124 HydrophobicContact CD1-CD2 4.15Å; F94-L124 HydrophobicContact CG-CD2 4.27Å; F94-D265 HydrophobicContact CD1-CB 4.49Å; F94-D265 HydrophobicContact CE1-CB 4.2Å; F94-D265 WeakPolarHBondContact CE1-O 3.39Å
95	R	98.3	Very high	96.6	Very high	57 Å²	57	47.8 Å²	47.8	22%	0.215	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.8	41.1	-171.8	-66.6	-71.1	-165.2	170.6	4	113.4	E82 T83 L97 L123 L124	E82-R95 VanDerWaalsContact O-CD 3.26Å; E82-R95 WeakPolarHBondContact O-CD 3.1Å; E82-R95 VanDerWaalsContact O-CZ 3.3Å; E82-R95 PolarHBondContact O-NE 3.03Å; E82-R95 PolarHBondContact O-NH1 3.4Å; E82-R95 VanDerWaalsContact O-NH1 3.11Å; T83-R95 PolarHBondContact O-N 3.47Å; R95-L97 VanDerWaalsContact C-N 3.34Å; R95-L97 PolarHBondContact O-N 3.26Å; R95-L123 HydrophobicContact CB-CD1 4.11Å; R95-L123 HydrophobicContact CB-CG 4.21Å; R95-L123 WeakPolarHBondContact CG-O 3.49Å; R95-L124 VanDerWaalsContact CZ-O 3.3Å; R95-L124 PolarHBondContact NE-O 2.96Å; R95-L124 PolarHBondContact NH2-O 2.88Å
96	G	97.8	Very high	96.6	Very high	47 Å²	47	43.8 Å²	43.8	49%	0.485	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.6	-18.4	179.8	0	0	0	0	0	115.5	R93 F94	R93-G96 PolarHBondContact NH1-O 3.36Å; F94-G96 PolarHBondContact O-N 3.1Å; F94-G96 VanDerWaalsContact O-N 3.15Å
97	L	98.1	Very high	96.7	Very high	32 Å²	32	43.1 Å²	43.1	17%	0.168	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	130.5	175.9	-62.7	-173.8	0	0	0	110.9	R93 F94 R95 D101 L123 V129	R93-L97 CarbonylContact C-O 3.41Å; R93-L97 WeakPolarHBondContact CA-O 3.32Å; F94-L97 PolarHBondContact N-O 3.2Å; F94-L97 PolarHBondContact O-N 2.93Å; R95-L97 VanDerWaalsContact C-N 3.34Å; R95-L97 PolarHBondContact O-N 3.26Å; L97-D101 HydrophobicContact CB-CB 4.12Å; L97-D101 HydrophobicContact CD2-CB 4.23Å; L97-L123 HydrophobicContact CB-CD2 4.43Å; L97-L123 HydrophobicContact CD1-CD1 4.04Å; L97-L123 HydrophobicContact CD1-CD2 3.88Å; L97-L123 HydrophobicContact CG-CD2 4.45Å; L97-V129 HydrophobicContact CD1-CG2 3.66Å
98	S	97.9	Very high	96.9	Very high	9 Å²	9	43.8 Å²	43.8	6%	0.063	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	167.5	171.5	69	0	0	0	0	111.4	P100 D101 C102	S98-P100 WeakPolarHBondContact OG-CD 3.39Å; S98-D101 WeakPolarHBondContact CB-OD2 3.2Å; S98-D101 PolarHBondContact N-OD2 2.87Å; S98-D101 WeakPolarHBondContact O-CB 3.35Å; S98-D101 PolarHBondContact O-N 3.21Å; S98-D101 PolarHBondContact OG-N 2.8Å; S98-D101 PolarHBondContact OG-OD2 2.78Å; S98-C102 PolarHBondContact O-N 2.99Å; S98-C102 PolarHBondContact O-SG 3.28Å
99	I	97.5	Very high	97.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-57	-47.6	174.5	-58.9	-64.6	0	0	0	112	I92 F94 D101 C102 Q103 F262 P356 R357 C360	I92-I99 HydrophobicContact CG2-CD1 3.9Å; I92-I99 HydrophobicContact CG2-CG1 4.1Å; F94-I99 HydrophobicContact CD2-CD1 4.01Å; F94-I99 HydrophobicContact CE2-CD1 3.23Å; F94-I99 HydrophobicContact CZ-CD1 3.7Å; I99-D101 VanDerWaalsContact C-N 3.32Å; I99-D101 PolarHBondContact O-N 3.39Å; I99-C102 WeakPolarHBondContact O-CB 3.23Å; I99-C102 PolarHBondContact O-N 3.17Å; I99-C102 VanDerWaalsContact O-N 3.13Å; I99-Q103 PolarHBondContact O-N 3.34Å; I99-F262 HydrophobicContact CD1-CD1 3.94Å; I99-F262 HydrophobicContact CD1-CE1 4.41Å; I99-F262 HydrophobicContact CD1-CG 4.35Å; I99-F262 HydrophobicContact CG2-CD1 4.04Å; I99-F262 HydrophobicContact CG2-CD2 4.09Å; I99-F262 HydrophobicContact CG2-CE1 3.71Å; I99-F262 HydrophobicContact CG2-CE2 3.68Å; I99-F262 HydrophobicContact CG2-CG 4.27Å; I99-F262 HydrophobicContact CG2-CZ 3.54Å; I99-P356 HydrophobicContact CB-CB 3.84Å; I99-P356 HydrophobicContact CG1-CB 3.99Å; I99-P356 HydrophobicContact CG2-CB 4.48Å; I99-R357 HydrophobicContact CD1-CG 3.94Å; I99-R357 HydrophobicContact CG1-CG 3.89Å; I99-C360 WeakPolarHBondContact CG2-SG 3.26Å
100	P	96.7	Very high	97.5	Very high	69 Å²	69	43.2 Å²	43.2	45%	0.448	23%	0.229	S	C	.	.	H	α-helix	trans	-60.6	-38	175	-26.1	35.8	0	0	0	113.6	S98 C102 Q103 K104	S98-P100 WeakPolarHBondContact OG-CD 3.39Å; P100-C102 VanDerWaalsContact C-N 3.31Å; P100-C102 PolarHBondContact O-N 3.38Å; P100-Q103 PolarHBondContact O-N 2.75Å; P100-K104 WeakPolarHBondContact O-CB 3.33Å; P100-K104 PolarHBondContact O-N 3.47Å
101	D	97.8	Very high	97.6	Very high	56 Å²	56	43.4 Å²	43.4	30%	0.299	25%	0.252	S	S	.	.	H	α-helix	trans	-63.3	-39.9	175.5	-68.6	-43.7	0	0	0	111.3	L97 S98 I99 K104 Q105	L97-D101 HydrophobicContact CB-CB 4.12Å; L97-D101 HydrophobicContact CD2-CB 4.23Å; S98-D101 WeakPolarHBondContact CB-OD2 3.2Å; S98-D101 PolarHBondContact N-OD2 2.87Å; S98-D101 WeakPolarHBondContact O-CB 3.35Å; S98-D101 PolarHBondContact O-N 3.21Å; S98-D101 PolarHBondContact OG-N 2.8Å; S98-D101 PolarHBondContact OG-OD2 2.78Å; I99-D101 VanDerWaalsContact C-N 3.32Å; I99-D101 PolarHBondContact O-N 3.39Å; D101-K104 PolarHBondContact O-N 2.96Å; D101-Q105 VanDerWaalsContact O-CB 3.3Å; D101-Q105 WeakPolarHBondContact O-CB 3.41Å; D101-Q105 WeakPolarHBondContact O-CG 3.42Å; D101-Q105 PolarHBondContact O-N 2.71Å
102	C	98.3	Very high	97.6	Very high	0 Å²	0	44 Å²	44	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-63.9	-46.4	175.6	-67.1	0	0	0	0	111.4	S98 I99 P100 K104 Q105 L106	S98-C102 PolarHBondContact O-N 2.99Å; S98-C102 PolarHBondContact O-SG 3.28Å; I99-C102 WeakPolarHBondContact O-CB 3.23Å; I99-C102 PolarHBondContact O-N 3.17Å; I99-C102 VanDerWaalsContact O-N 3.13Å; P100-C102 VanDerWaalsContact C-N 3.31Å; P100-C102 PolarHBondContact O-N 3.38Å; C102-K104 PolarHBondContact O-N 3.37Å; C102-Q105 PolarHBondContact O-N 2.92Å; C102-L106 HydrophobicContact CB-CD1 3.87Å; C102-L106 HydrophobicContact CB-CG 4.33Å; C102-L106 VanDerWaalsContact O-CB 3.27Å; C102-L106 WeakPolarHBondContact O-CB 3.28Å; C102-L106 WeakPolarHBondContact O-CG 3.39Å; C102-L106 PolarHBondContact O-N 3.11Å
103	Q	97.2	Very high	97.6	Very high	30 Å²	30	49.6 Å²	49.6	14%	0.14	28%	0.284	C	S	.	.	H	α-helix	trans	-57.2	-39.7	174.9	-73.9	-179.6	-64.2	0	0	112	I99 P100 K108 F262 C360	I99-Q103 PolarHBondContact O-N 3.34Å; P100-Q103 PolarHBondContact O-N 2.75Å; Q103-K108 WeakPolarHBondContact O-CE 3.18Å; Q103-K108 PolarHBondContact O-NZ 2.92Å; Q103-F262 HydrophobicContact CG-CE1 4.37Å; Q103-F262 HydrophobicContact CG-CE2 4.42Å; Q103-F262 HydrophobicContact CG-CZ 3.55Å; Q103-C360 PolarHBondContact OE1-SG 3.38Å
104	K	97.5	Very high	97.6	Very high	174 Å²	174	46.8 Å²	46.8	76%	0.757	27%	0.274	S	S	*	.	H	α-helix	trans	-72.3	-44.7	-179.6	-174.8	178.1	178.7	-178.9	0	112.7	P100 D101 C102	P100-K104 WeakPolarHBondContact O-CB 3.33Å; P100-K104 PolarHBondContact O-N 3.47Å; D101-K104 PolarHBondContact O-N 2.96Å; C102-K104 PolarHBondContact O-N 3.37Å
105	Q	98.1	Very high	97.6	Very high	86 Å²	86	46.8 Å²	46.8	40%	0.402	27%	0.274	S	S	.	.	H	α-helix	trans	-96.8	-28.5	-165.3	-64.8	-178.7	69.3	0	0	114.3	D101 C102 V129	D101-Q105 VanDerWaalsContact O-CB 3.3Å; D101-Q105 WeakPolarHBondContact O-CB 3.41Å; D101-Q105 WeakPolarHBondContact O-CG 3.42Å; D101-Q105 PolarHBondContact O-N 2.71Å; C102-Q105 PolarHBondContact O-N 2.92Å; Q105-V129 HydrophobicContact CB-CG1 4.11Å; Q105-V129 HydrophobicContact CB-CG2 4.17Å; Q105-V129 WeakPolarHBondContact O-CG1 3.16Å
106	L	98.5	Very high	97.6	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.01	26%	0.264	C	S	.	.	S	Bend	trans	-73.9	141.5	-177.5	-65.5	177.7	0	0	0	111.6	C102 K108 P115 I120 L123 P130	C102-L106 HydrophobicContact CB-CD1 3.87Å; C102-L106 HydrophobicContact CB-CG 4.33Å; C102-L106 VanDerWaalsContact O-CB 3.27Å; C102-L106 WeakPolarHBondContact O-CB 3.28Å; C102-L106 WeakPolarHBondContact O-CG 3.39Å; C102-L106 PolarHBondContact O-N 3.11Å; L106-K108 PolarHBondContact O-NZ 3.5Å; L106-P115 HydrophobicContact CB-CB 3.85Å; L106-P115 HydrophobicContact CD1-CB 4.12Å; L106-I120 HydrophobicContact CD1-CB 4.23Å; L106-I120 HydrophobicContact CD1-CD1 3.68Å; L106-L123 HydrophobicContact CD2-CB 4.47Å; L106-P130 HydrophobicContact CD2-CG 4.39Å
107	P	98.3	Very high	97.6	Very high	18 Å²	18	42 Å²	42	12%	0.117	24%	0.241	C	C	.	.			trans	-58.7	148.3	174.2	-25.6	36.4	0	0	0	112.8	L116 P130 K132 V135	P107-L116 PolarHBondContact O-N 3.25Å; P107-P130 HydrophobicContact CG-CG 4.38Å; P107-P130 WeakPolarHBondContact CG-O 3.48Å; P107-K132 HydrophobicContact CB-CD 4.03Å; P107-V135 HydrophobicContact CB-CB 4.28Å; P107-V135 HydrophobicContact CB-CG1 4.49Å; P107-V135 HydrophobicContact CB-CG2 3.91Å; P107-V135 HydrophobicContact CG-CB 4.41Å; P107-V135 HydrophobicContact CG-CG2 3.64Å
108	K	98.5	Very high	97.7	Very high	59 Å²	59	40.5 Å²	40.5	26%	0.257	23%	0.233	S	C	.	.	B	Isolated β-bridge	trans	-118	162.2	-178	-57.7	168.9	175	63.5	0	109.4	Q103 L106 H113 E114 K132	Q103-K108 WeakPolarHBondContact O-CE 3.18Å; Q103-K108 PolarHBondContact O-NZ 2.92Å; L106-K108 PolarHBondContact O-NZ 3.5Å; K108-H113 VanDerWaalsContact CD-O 3.27Å; K108-H113 WeakPolarHBondContact CD-O 3.32Å; K108-H113 WeakPolarHBondContact CE-O 3.38Å; K108-E114 WeakPolarHBondContact CG-O 3.28Å; K108-K132 WeakPolarHBondContact O-CE 3.31Å
109	A	97.9	Very high	97.7	Very high	6 Å²	6	40 Å²	40	5%	0.05	23%	0.23	C	C	.	.			trans	-62.4	153.9	170.6	0	0	0	0	0	111.1	G111 G112 L116 R257	A109-G111 PolarHBondContact O-N 3.32Å; A109-G111 VanDerWaalsContact O-N 3.12Å; A109-G112 PolarHBondContact O-N 2.91Å; A109-L116 HydrophobicContact CB-CD2 4.18Å; A109-R257 VanDerWaalsContact CB-NH1 3.35Å
110	P	95.9	Very high	97.8	Very high	120 Å²	120	40 Å²	40	78%	0.779	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	119.1	170.6	-23.6	34.4	0	0	0	111.1	G112	P110-G112 PolarHBondContact O-N 2.96Å
111	G	95.3	Very high	97.9	Very high	83 Å²	83	36.8 Å²	36.8	86%	0.856	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.1	-0.2	-175.7	0	0	0	0	0	115.5	A109	A109-G111 PolarHBondContact O-N 3.32Å; A109-G111 VanDerWaalsContact O-N 3.12Å
112	G	96.1	Very high	97.9	Very high	14 Å²	14	34.3 Å²	34.3	14%	0.144	20%	0.196	C	C	.	.			trans	-90	160.7	175	0	0	0	0	0	113.3	A109 P110 E254	A109-G112 PolarHBondContact O-N 2.91Å; P110-G112 PolarHBondContact O-N 2.96Å; G112-E254 WeakPolarHBondContact CA-OE2 3.17Å
113	H	96.6	Very high	97.9	Very high	118 Å²	118	34.4 Å²	34.4	55%	0.546	20%	0.196	S	C	.	.			trans	-113.5	-20.4	179.7	-63.3	-66.5	0	0	0	112.8	K108 E254	K108-H113 VanDerWaalsContact CD-O 3.27Å; K108-H113 WeakPolarHBondContact CD-O 3.32Å; K108-H113 WeakPolarHBondContact CE-O 3.38Å; H113-E254 PolarHBondContact N-OE2 2.9Å
114	E	98.2	Very high	98	Very high	3 Å²	3	33 Å²	33	1%	0.014	19%	0.189	C	C	.	.	S	Bend	trans	-93.5	145.6	-179	-55	-44.6	138.9	0	0	113.4	K108 E254 R257 L258 F364 R367	K108-E114 WeakPolarHBondContact CG-O 3.28Å; E114-E254 HydrophobicContact CG-CB 4.26Å; E114-E254 PolarHBondContact N-OE2 3.07Å; E114-R257 HydrophobicContact CB-CB 4.23Å; E114-L258 HydrophobicContact CB-CB 4.29Å; E114-L258 HydrophobicContact CG-CB 4.12Å; E114-L258 HydrophobicContact CG-CD1 4.41Å; E114-L258 VanDerWaalsContact OE2-CD1 3.25Å; E114-L258 WeakPolarHBondContact OE2-CD1 3.39Å; E114-F364 HydrophobicContact CG-CD2 4.1Å; E114-F364 HydrophobicContact CG-CE2 3.93Å; E114-R367 IonicContact OE1-CZ 3.12Å; E114-R367 IonicContact OE1-NH1 2.7Å; E114-R367 PolarHBondContact OE1-NH1 2.95Å; E114-R367 VanDerWaalsContact OE1-NH1 3.14Å; E114-R367 IonicContact OE1-NH2 2.72Å; E114-R367 PolarHBondContact OE1-NH2 3.04Å
115	P	98.4	Very high	98	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.153	C	C	.	.	B	Isolated β-bridge	trans	-63.4	142.3	179.1	28.2	-36.5	0	0	0	111.6	L106 T261 F262	L106-P115 HydrophobicContact CB-CB 3.85Å; L106-P115 HydrophobicContact CD1-CB 4.12Å; P115-T261 HydrophobicContact CB-CG2 4.26Å; P115-T261 HydrophobicContact CG-CG2 3.84Å; P115-T261 PolarHBondContact O-OG1 3.03Å; P115-F262 HydrophobicContact CG-CE1 4.2Å; P115-F262 HydrophobicContact CG-CZ 4.33Å
116	L	98.8	Very high	98.1	Very high	3 Å²	3	21 Å²	21	2%	0.016	14%	0.137	C	C	.	.	P	Polyproline II helix	trans	-79	134.7	176.2	-72.1	175.6	0	0	0	111.6	P107 A109 E118 G119 I120 V135 D236 R257	P107-L116 PolarHBondContact O-N 3.25Å; A109-L116 HydrophobicContact CB-CD2 4.18Å; L116-E118 PolarHBondContact O-N 2.97Å; L116-G119 WeakPolarHBondContact O-CA 3.47Å; L116-G119 PolarHBondContact O-N 2.89Å; L116-I120 PolarHBondContact O-N 3.09Å; L116-V135 HydrophobicContact CB-CG1 4.13Å; L116-V135 HydrophobicContact CD1-CG1 3.6Å; L116-D236 HydrophobicContact CD2-CB 3.85Å; L116-R257 HydrophobicContact CD2-CG 4.06Å
117	P	98.8	Very high	98.1	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-61.6	-27.3	177.9	-25.2	35.1	0	0	0	114.4	G119 I120 F121 W237 S238 L260 L431	P117-G119 PolarHBondContact O-N 2.83Å; P117-I120 WeakPolarHBondContact O-CG2 3.49Å; P117-I120 PolarHBondContact O-N 3.1Å; P117-F121 PolarHBondContact O-N 3.43Å; P117-W237 HydrophobicContact CB-CE3 3.95Å; P117-W237 HydrophobicContact CB-CZ3 4.11Å; P117-W237 HydrophobicContact CG-CE3 4.28Å; P117-S238 WeakPolarHBondContact CD-OG 3.44Å; P117-S238 VanDerWaalsContact CG-OG 3.3Å; P117-S238 WeakPolarHBondContact CG-OG 3.2Å; P117-L260 HydrophobicContact CB-CB 4.26Å; P117-L260 HydrophobicContact CG-CB 3.65Å; P117-L260 HydrophobicContact CG-CD1 4.4Å; P117-L431 HydrophobicContact CB-CD1 3.74Å
118	E	98.8	Very high	98	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-59.7	-37.3	171.1	-63.9	97.9	136.4	0	0	111.4	L116 F121 F122 V135 I138 S139 F142 D236 W237	L116-E118 PolarHBondContact O-N 2.97Å; E118-F121 PolarHBondContact O-N 3.22Å; E118-F122 PolarHBondContact O-N 3.27Å; E118-V135 HydrophobicContact CB-CG1 4.05Å; E118-I138 HydrophobicContact CB-CB 4.02Å; E118-I138 HydrophobicContact CB-CG2 3.69Å; E118-I138 HydrophobicContact CG-CB 4.28Å; E118-I138 HydrophobicContact CG-CG2 3.7Å; E118-S139 VanDerWaalsContact CD-OG 3.3Å; E118-S139 WeakPolarHBondContact OE1-CB 3.42Å; E118-S139 PolarHBondContact OE1-OG 2.88Å; E118-F142 HydrophobicContact CG-CD2 3.94Å; E118-F142 HydrophobicContact CG-CE2 3.98Å; E118-D236 WeakPolarHBondContact OE1-CA 3.3Å; E118-D236 WeakPolarHBondContact OE1-CB 3.48Å; E118-W237 HydrophobicContact CG-CB 4.3Å; E118-W237 WeakPolarHBondContact OE1-CB 2.99Å; E118-W237 PolarHBondContact OE1-N 3.46Å
119	G	98.7	Very high	98	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-65.9	-39.9	175	0	0	0	0	0	112.7	L116 P117 L123	L116-G119 WeakPolarHBondContact O-CA 3.47Å; L116-G119 PolarHBondContact O-N 2.89Å; P117-G119 PolarHBondContact O-N 2.83Å; G119-L123 PolarHBondContact O-N 3.3Å; G119-L123 VanDerWaalsContact O-N 3.08Å
120	I	98.6	Very high	98	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-68.8	-41	175.7	-158	69	0	0	0	111.2	F94 L106 L116 P117 F122 L123 L124 T261 C264 L431	F94-I120 HydrophobicContact CB-CD1 3.98Å; F94-I120 HydrophobicContact CD2-CD1 3.5Å; F94-I120 VanDerWaalsContact CD2-CD1 3.5Å; F94-I120 HydrophobicContact CD2-CG1 4.24Å; F94-I120 HydrophobicContact CE2-CD1 4.21Å; F94-I120 HydrophobicContact CG-CD1 3.95Å; L106-I120 HydrophobicContact CD1-CB 4.23Å; L106-I120 HydrophobicContact CD1-CD1 3.68Å; L116-I120 PolarHBondContact O-N 3.09Å; P117-I120 WeakPolarHBondContact O-CG2 3.49Å; P117-I120 PolarHBondContact O-N 3.1Å; I120-F122 VanDerWaalsContact C-N 3.34Å; I120-F122 PolarHBondContact O-N 3.43Å; I120-L123 HydrophobicContact CD1-CD2 3.85Å; I120-L123 WeakPolarHBondContact O-CB 3.33Å; I120-L123 PolarHBondContact O-N 3.06Å; I120-L123 VanDerWaalsContact O-N 3.09Å; I120-L124 HydrophobicContact CG1-CD1 4.36Å; I120-L124 HydrophobicContact CG1-CG 4.31Å; I120-L124 VanDerWaalsContact O-CG 3.27Å; I120-L124 WeakPolarHBondContact O-CG 3.14Å; I120-L124 PolarHBondContact O-N 3.03Å; I120-T261 HydrophobicContact CB-CG2 4.01Å; I120-T261 HydrophobicContact CD1-CG2 4.39Å; I120-T261 HydrophobicContact CG1-CG2 4.25Å; I120-T261 HydrophobicContact CG2-CG2 4.27Å; I120-C264 HydrophobicContact CG2-CB 4.2Å; I120-L431 HydrophobicContact CG2-CD1 3.93Å
121	F	98.8	Very high	98.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-60.8	-43.2	178	-174.8	-112.1	0	0	0	112.1	L34 P117 E118 L123 L124 L125 F142 M204 I207 L431 A435	L34-F121 HydrophobicContact CD2-CD1 4.32Å; L34-F121 HydrophobicContact CD2-CE1 4.14Å; P117-F121 PolarHBondContact O-N 3.43Å; E118-F121 PolarHBondContact O-N 3.22Å; F121-L123 VanDerWaalsContact C-N 3.35Å; F121-L123 PolarHBondContact O-N 3.22Å; F121-L124 PolarHBondContact O-N 3.49Å; F121-L125 HydrophobicContact CD1-CD1 3.97Å; F121-L125 HydrophobicContact CE1-CD1 3.37Å; F121-L125 HydrophobicContact CE1-CG 4.44Å; F121-L125 HydrophobicContact CE2-CD1 4.07Å; F121-L125 HydrophobicContact CE2-CG 4.38Å; F121-L125 HydrophobicContact CZ-CD1 3.45Å; F121-L125 VanDerWaalsContact CZ-CD1 3.45Å; F121-L125 HydrophobicContact CZ-CG 4.21Å; F121-L125 PolarHBondContact O-N 3.5Å; F121-F142 AromaticContact CD1-CZ 3.88Å; F121-F142 HydrophobicContact CD1-CZ 3.88Å; F121-F142 HydrophobicContact CE1-CZ 4.15Å; F121-F142 HydrophobicContact CG-CZ 4.45Å; F121-M204 HydrophobicContact CE1-SD 3.55Å; F121-M204 VanDerWaalsContact CE1-SD 3.55Å; F121-M204 HydrophobicContact CZ-SD 4.19Å; F121-I207 HydrophobicContact CD2-CD1 3.94Å; F121-I207 HydrophobicContact CE1-CD1 4.24Å; F121-I207 HydrophobicContact CE2-CD1 3.33Å; F121-I207 HydrophobicContact CZ-CD1 3.5Å; F121-I207 VanDerWaalsContact CZ-CD1 3.5Å; F121-L431 HydrophobicContact CB-CD2 4.24Å; F121-L431 HydrophobicContact CD2-CB 4.2Å; F121-L431 HydrophobicContact CD2-CD2 4.14Å; F121-L431 WeakPolarHBondContact CD2-O 3.38Å; F121-L431 HydrophobicContact CG-CD2 4.35Å; F121-A435 HydrophobicContact CD2-CB 4.4Å; F121-A435 HydrophobicContact CE2-CB 4.08Å
122	F	98.8	Very high	98.2	Very high	5 Å²	5	24.5 Å²	24.5	2%	0.022	14%	0.136	C	C	.	.	H	α-helix	trans	-58.5	-46.1	171.9	-175.6	-77	0	0	0	111.7	L34 I37 E118 I120 L125 T126 K128 P130 Q134 I138	L34-F122 HydrophobicContact CD1-CD2 3.71Å; L34-F122 HydrophobicContact CD1-CE2 4.01Å; L34-F122 HydrophobicContact CD1-CG 4.33Å; I37-F122 HydrophobicContact CD1-CE2 3.84Å; I37-F122 HydrophobicContact CD1-CZ 3.86Å; E118-F122 PolarHBondContact O-N 3.27Å; I120-F122 VanDerWaalsContact C-N 3.34Å; I120-F122 PolarHBondContact O-N 3.43Å; F122-L125 PolarHBondContact O-N 2.98Å; F122-T126 HydrophobicContact CD1-CG2 4.12Å; F122-T126 VanDerWaalsContact CD1-OG1 3.26Å; F122-T126 WeakPolarHBondContact CD1-OG1 3.48Å; F122-T126 HydrophobicContact CE1-CG2 3.92Å; F122-T126 WeakPolarHBondContact CE1-OG1 3.35Å; F122-T126 HydrophobicContact CE2-CG2 4.31Å; F122-T126 HydrophobicContact CG-CG2 4.4Å; F122-T126 HydrophobicContact CZ-CG2 4.01Å; F122-T126 WeakPolarHBondContact O-CB 3.38Å; F122-T126 WeakPolarHBondContact O-CG2 3.25Å; F122-T126 PolarHBondContact O-N 2.97Å; F122-T126 PolarHBondContact O-OG1 3.07Å; F122-K128 WeakPolarHBondContact CD1-O 3.26Å; F122-K128 HydrophobicContact CE1-CB 4.2Å; F122-P130 HydrophobicContact CB-CB 4.03Å; F122-P130 HydrophobicContact CB-CG 3.98Å; F122-P130 HydrophobicContact CD1-CB 3.48Å; F122-P130 VanDerWaalsContact CD1-CB 3.48Å; F122-P130 HydrophobicContact CD1-CG 3.89Å; F122-P130 HydrophobicContact CD2-CB 4.03Å; F122-P130 HydrophobicContact CE1-CB 3.87Å; F122-P130 HydrophobicContact CE2-CB 4.39Å; F122-P130 HydrophobicContact CG-CB 3.59Å; F122-P130 HydrophobicContact CG-CG 4.03Å; F122-P130 HydrophobicContact CZ-CB 4.32Å; F122-Q134 HydrophobicContact CD2-CB 4.32Å; F122-Q134 HydrophobicContact CE2-CB 4.03Å; F122-Q134 HydrophobicContact CE2-CG 4.17Å; F122-I138 HydrophobicContact CB-CD1 3.78Å; F122-I138 HydrophobicContact CD2-CD1 3.96Å; F122-I138 HydrophobicContact CG-CD1 4.38Å
123	L	98.8	Very high	98.2	Very high	1 Å²	1	26 Å²	26	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-58.8	-51.5	178	175.6	66.7	0	0	0	110.5	F94 R95 L97 L106 G119 I120 F121 L125 T126 G127 K128	F94-L123 HydrophobicContact CB-CD2 3.99Å; R95-L123 HydrophobicContact CB-CD1 4.11Å; R95-L123 HydrophobicContact CB-CG 4.21Å; R95-L123 WeakPolarHBondContact CG-O 3.49Å; L97-L123 HydrophobicContact CB-CD2 4.43Å; L97-L123 HydrophobicContact CD1-CD1 4.04Å; L97-L123 HydrophobicContact CD1-CD2 3.88Å; L97-L123 HydrophobicContact CG-CD2 4.45Å; L106-L123 HydrophobicContact CD2-CB 4.47Å; G119-L123 PolarHBondContact O-N 3.3Å; G119-L123 VanDerWaalsContact O-N 3.08Å; I120-L123 HydrophobicContact CD1-CD2 3.85Å; I120-L123 WeakPolarHBondContact O-CB 3.33Å; I120-L123 PolarHBondContact O-N 3.06Å; I120-L123 VanDerWaalsContact O-N 3.09Å; F121-L123 VanDerWaalsContact C-N 3.35Å; F121-L123 PolarHBondContact O-N 3.22Å; L123-L125 VanDerWaalsContact C-N 3.26Å; L123-L125 PolarHBondContact O-N 3.41Å; L123-T126 PolarHBondContact O-N 3.39Å; L123-G127 WeakPolarHBondContact O-CA 3.31Å; L123-G127 PolarHBondContact O-N 3.09Å; L123-K128 WeakPolarHBondContact CA-O 3.44Å
124	L	98.8	Very high	98.3	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-59.8	-36.7	-178	-63.9	176.7	0	0	0	112.2	T83 F94 R95 I120 F121 D265 A435	T83-L124 HydrophobicContact CG2-CB 4.27Å; T83-L124 WeakPolarHBondContact O-CD2 3.34Å; F94-L124 HydrophobicContact CB-CD2 3.88Å; F94-L124 HydrophobicContact CD1-CD2 4.15Å; F94-L124 HydrophobicContact CG-CD2 4.27Å; R95-L124 VanDerWaalsContact CZ-O 3.3Å; R95-L124 PolarHBondContact NE-O 2.96Å; R95-L124 PolarHBondContact NH2-O 2.88Å; I120-L124 HydrophobicContact CG1-CD1 4.36Å; I120-L124 HydrophobicContact CG1-CG 4.31Å; I120-L124 VanDerWaalsContact O-CG 3.27Å; I120-L124 WeakPolarHBondContact O-CG 3.14Å; I120-L124 PolarHBondContact O-N 3.03Å; F121-L124 PolarHBondContact O-N 3.49Å; L124-D265 HydrophobicContact CD1-CB 4.42Å; L124-A435 HydrophobicContact CB-CB 3.9Å
125	L	98.6	Very high	98.3	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-73.6	-43.4	175.8	-80	175.1	0	0	0	113.1	L34 M38 F121 F122 L123 Y200 A435 I438 W439	L34-L125 HydrophobicContact CD1-CB 4.4Å; L34-L125 HydrophobicContact CD1-CD1 4.25Å; L34-L125 HydrophobicContact CD2-CD1 3.77Å; L34-L125 HydrophobicContact CG-CD1 4.25Å; M38-L125 HydrophobicContact CE-CD2 3.95Å; M38-L125 HydrophobicContact SD-CB 3.83Å; M38-L125 HydrophobicContact SD-CD2 4.23Å; F121-L125 HydrophobicContact CD1-CD1 3.97Å; F121-L125 HydrophobicContact CE1-CD1 3.37Å; F121-L125 HydrophobicContact CE1-CG 4.44Å; F121-L125 HydrophobicContact CE2-CD1 4.07Å; F121-L125 HydrophobicContact CE2-CG 4.38Å; F121-L125 HydrophobicContact CZ-CD1 3.45Å; F121-L125 VanDerWaalsContact CZ-CD1 3.45Å; F121-L125 HydrophobicContact CZ-CG 4.21Å; F121-L125 PolarHBondContact O-N 3.5Å; F122-L125 PolarHBondContact O-N 2.98Å; L123-L125 VanDerWaalsContact C-N 3.26Å; L123-L125 PolarHBondContact O-N 3.41Å; L125-Y200 HydrophobicContact CD1-CE2 4.41Å; L125-A435 HydrophobicContact CD2-CB 3.95Å; L125-A435 HydrophobicContact CG-CB 4.04Å; L125-I438 HydrophobicContact CD1-CD1 4.49Å; L125-I438 HydrophobicContact CD2-CB 4.12Å; L125-I438 HydrophobicContact CD2-CD1 3.77Å; L125-I438 HydrophobicContact CD2-CG2 4.11Å; L125-W439 VanDerWaalsContact O-CE2 3.3Å; L125-W439 VanDerWaalsContact O-CZ2 3.26Å; L125-W439 WeakPolarHBondContact O-CZ2 3.37Å; L125-W439 PolarHBondContact O-NE1 3.43Å
126	T	98.5	Very high	98.3	Very high	9 Å²	9	24.2 Å²	24.2	6%	0.055	14%	0.141	C	C	.	.	H	α-helix	trans	-105.5	-16.9	-165	67.4	0	0	0	0	114.9	L34 I37 M38 L41 F122 L123 K128	L34-T126 HydrophobicContact CD1-CG2 3.62Å; I37-T126 HydrophobicContact CG2-CG2 3.82Å; M38-T126 HydrophobicContact SD-CG2 4.45Å; L41-T126 HydrophobicContact CD1-CG2 4.36Å; L41-T126 WeakPolarHBondContact CD1-O 3.33Å; F122-T126 HydrophobicContact CD1-CG2 4.12Å; F122-T126 VanDerWaalsContact CD1-OG1 3.26Å; F122-T126 WeakPolarHBondContact CD1-OG1 3.48Å; F122-T126 HydrophobicContact CE1-CG2 3.92Å; F122-T126 WeakPolarHBondContact CE1-OG1 3.35Å; F122-T126 HydrophobicContact CE2-CG2 4.31Å; F122-T126 HydrophobicContact CG-CG2 4.4Å; F122-T126 HydrophobicContact CZ-CG2 4.01Å; F122-T126 WeakPolarHBondContact O-CB 3.38Å; F122-T126 WeakPolarHBondContact O-CG2 3.25Å; F122-T126 PolarHBondContact O-N 2.97Å; F122-T126 PolarHBondContact O-OG1 3.07Å; L123-T126 PolarHBondContact O-N 3.39Å; T126-K128 PolarHBondContact O-N 2.96Å; T126-K128 PolarHBondContact OG1-N 3.19Å; T126-K128 VanDerWaalsContact OG1-N 3.13Å; T126-K128 PolarHBondContact OG1-O 3.49Å
127	G	98.3	Very high	98.2	Very high	39 Å²	39	26.1 Å²	26.1	40%	0.402	15%	0.151	S	C	.	.	S	Bend	trans	68.1	11.8	-168.4	0	0	0	0	0	114.2	L123	L123-G127 WeakPolarHBondContact O-CA 3.31Å; L123-G127 PolarHBondContact O-N 3.09Å
128	K	98	Very high	98.2	Very high	104 Å²	104	26.3 Å²	26.3	45%	0.452	15%	0.152	S	C	.	.	S	Bend	trans	-121.7	146.2	-176.6	-61.9	174.8	-175.3	174.4	0	110.6	F122 L123 T126	F122-K128 WeakPolarHBondContact CD1-O 3.26Å; F122-K128 HydrophobicContact CE1-CB 4.2Å; L123-K128 WeakPolarHBondContact CA-O 3.44Å; T126-K128 PolarHBondContact O-N 2.96Å; T126-K128 PolarHBondContact OG1-N 3.19Å; T126-K128 VanDerWaalsContact OG1-N 3.13Å; T126-K128 PolarHBondContact OG1-O 3.49Å
129	V	98.3	Very high	98.1	Very high	56 Å²	56	26.7 Å²	26.7	34%	0.339	16%	0.155	S	C	.	.	P	Polyproline II helix	trans	-71.6	124.7	170.5	178.4	0	0	0	0	108.8	L97 Q105	L97-V129 HydrophobicContact CD1-CG2 3.66Å; Q105-V129 HydrophobicContact CB-CG1 4.11Å; Q105-V129 HydrophobicContact CB-CG2 4.17Å; Q105-V129 WeakPolarHBondContact O-CG1 3.16Å
130	P	98.1	Very high	98.1	Very high	7 Å²	7	32.5 Å²	32.5	5%	0.045	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-73.5	152.2	178.7	26.8	-30.7	0	0	0	112.4	L106 P107 F122 Q134 V135	L106-P130 HydrophobicContact CD2-CG 4.39Å; P107-P130 HydrophobicContact CG-CG 4.38Å; P107-P130 WeakPolarHBondContact CG-O 3.48Å; F122-P130 HydrophobicContact CB-CB 4.03Å; F122-P130 HydrophobicContact CB-CG 3.98Å; F122-P130 HydrophobicContact CD1-CB 3.48Å; F122-P130 VanDerWaalsContact CD1-CB 3.48Å; F122-P130 HydrophobicContact CD1-CG 3.89Å; F122-P130 HydrophobicContact CD2-CB 4.03Å; F122-P130 HydrophobicContact CE1-CB 3.87Å; F122-P130 HydrophobicContact CE2-CB 4.39Å; F122-P130 HydrophobicContact CG-CB 3.59Å; F122-P130 HydrophobicContact CG-CG 4.03Å; F122-P130 HydrophobicContact CZ-CB 4.32Å; P130-Q134 HydrophobicContact CB-CB 4.16Å; P130-V135 HydrophobicContact CB-CG2 3.87Å; P130-V135 HydrophobicContact CG-CG2 3.69Å
131	T	97.9	Very high	98.1	Very high	78 Å²	78	35.6 Å²	35.6	48%	0.479	19%	0.194	S	C	.	.	P	Polyproline II helix	trans	-73.5	160.8	162.6	65.3	0	0	0	0	110.8	A133 Q134 V135	T131-A133 PolarHBondContact O-N 2.86Å; T131-Q134 PolarHBondContact O-N 2.96Å; T131-Q134 WeakPolarHBondContact OG1-CG 3.44Å; T131-Q134 PolarHBondContact OG1-N 3.47Å; T131-Q134 PolarHBondContact OG1-OE1 3.23Å; T131-V135 PolarHBondContact O-N 2.89Å; T131-V135 VanDerWaalsContact O-N 3.13Å
132	K	96.7	Very high	98.1	Very high	78 Å²	78	35.8 Å²	35.8	34%	0.339	20%	0.195	S	C	.	.	H	α-helix	trans	-55.9	-39.5	174.6	-178.4	60.4	168.5	72	0	112.7	P107 K108 Q134 V135 D136	P107-K132 HydrophobicContact CB-CD 4.03Å; K108-K132 WeakPolarHBondContact O-CE 3.31Å; K132-Q134 PolarHBondContact O-N 3.21Å; K132-V135 PolarHBondContact O-N 3.3Å; K132-D136 IonicContact NZ-OD1 3.95Å; K132-D136 PolarHBondContact NZ-OD1 2.87Å; K132-D136 IonicContact NZ-OD2 2.76Å; K132-D136 PolarHBondContact NZ-OD2 3.5Å; K132-D136 VanDerWaalsContact O-CG 3.28Å; K132-D136 PolarHBondContact O-N 2.63Å
133	A	96.9	Very high	98.1	Very high	45 Å²	45	36.2 Å²	36.2	37%	0.372	20%	0.2	S	C	.	.	H	α-helix	trans	-63.9	-39.9	179.2	0	0	0	0	0	112.3	Y31 T131 D136 D137	Y31-A133 HydrophobicContact CD1-CB 4.06Å; Y31-A133 HydrophobicContact CE1-CB 3.68Å; Y31-A133 PolarHBondContact OH-O 3.4Å; T131-A133 PolarHBondContact O-N 2.86Å; A133-D136 PolarHBondContact O-N 3.05Å; A133-D137 PolarHBondContact O-N 3.13Å
134	Q	97.8	Very high	98	Very high	29 Å²	29	40.1 Å²	40.1	14%	0.136	23%	0.227	C	C	.	.	H	α-helix	trans	-67	-36.3	175.4	-73.1	164.8	-48.9	0	0	112.5	Y31 F122 P130 T131 K132 D137 I138	Y31-Q134 HydrophobicContact CD2-CG 3.74Å; Y31-Q134 HydrophobicContact CE2-CG 4.18Å; Y31-Q134 HydrophobicContact CG-CG 4.2Å; F122-Q134 HydrophobicContact CD2-CB 4.32Å; F122-Q134 HydrophobicContact CE2-CB 4.03Å; F122-Q134 HydrophobicContact CE2-CG 4.17Å; P130-Q134 HydrophobicContact CB-CB 4.16Å; T131-Q134 PolarHBondContact O-N 2.96Å; T131-Q134 WeakPolarHBondContact OG1-CG 3.44Å; T131-Q134 PolarHBondContact OG1-N 3.47Å; T131-Q134 PolarHBondContact OG1-OE1 3.23Å; K132-Q134 PolarHBondContact O-N 3.21Å; Q134-D137 WeakPolarHBondContact O-CB 3.42Å; Q134-D137 PolarHBondContact O-N 3.18Å; Q134-I138 WeakPolarHBondContact O-CG1 3.3Å; Q134-I138 PolarHBondContact O-N 3.19Å
135	V	98.2	Very high	98	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-65.1	-44.3	173.5	169	0	0	0	0	111	P107 L116 E118 P130 T131 K132 D137 I138 S139	P107-V135 HydrophobicContact CB-CB 4.28Å; P107-V135 HydrophobicContact CB-CG1 4.49Å; P107-V135 HydrophobicContact CB-CG2 3.91Å; P107-V135 HydrophobicContact CG-CB 4.41Å; P107-V135 HydrophobicContact CG-CG2 3.64Å; L116-V135 HydrophobicContact CB-CG1 4.13Å; L116-V135 HydrophobicContact CD1-CG1 3.6Å; E118-V135 HydrophobicContact CB-CG1 4.05Å; P130-V135 HydrophobicContact CB-CG2 3.87Å; P130-V135 HydrophobicContact CG-CG2 3.69Å; T131-V135 PolarHBondContact O-N 2.89Å; T131-V135 VanDerWaalsContact O-N 3.13Å; K132-V135 PolarHBondContact O-N 3.3Å; V135-D137 VanDerWaalsContact C-N 3.25Å; V135-D137 PolarHBondContact O-N 3.34Å; V135-I138 PolarHBondContact O-N 3Å; V135-I138 VanDerWaalsContact O-N 3.15Å; V135-S139 PolarHBondContact O-N 3.13Å; V135-S139 PolarHBondContact O-OG 3.4Å
136	D	97.3	Very high	98	Very high	55 Å²	55	42.2 Å²	42.2	29%	0.294	24%	0.236	S	C	.	.	H	α-helix	trans	-63.7	-31.6	177.8	-68.5	-21.7	0	0	0	112.9	K132 A133 K140	K132-D136 IonicContact NZ-OD1 3.95Å; K132-D136 PolarHBondContact NZ-OD1 2.87Å; K132-D136 IonicContact NZ-OD2 2.76Å; K132-D136 PolarHBondContact NZ-OD2 3.5Å; K132-D136 VanDerWaalsContact O-CG 3.28Å; K132-D136 PolarHBondContact O-N 2.63Å; A133-D136 PolarHBondContact O-N 3.05Å; D136-K140 WeakPolarHBondContact O-CG 3.36Å; D136-K140 PolarHBondContact O-N 2.95Å
137	D	97.4	Very high	97.9	Very high	43 Å²	43	48.1 Å²	48.1	23%	0.23	27%	0.267	C	S	.	.	H	α-helix	trans	-62.7	-48.7	172.3	-154.1	57.8	0	0	0	111.5	Y31 A133 Q134 V135 S139 K140 E141	Y31-D137 HydrophobicContact CE2-CB 3.84Å; Y31-D137 VanDerWaalsContact OH-CB 3.3Å; Y31-D137 WeakPolarHBondContact OH-CB 3.46Å; Y31-D137 VanDerWaalsContact OH-CG 3.31Å; Y31-D137 PolarHBondContact OH-OD1 3.2Å; A133-D137 PolarHBondContact O-N 3.13Å; Q134-D137 WeakPolarHBondContact O-CB 3.42Å; Q134-D137 PolarHBondContact O-N 3.18Å; V135-D137 VanDerWaalsContact C-N 3.25Å; V135-D137 PolarHBondContact O-N 3.34Å; D137-S139 PolarHBondContact O-N 2.94Å; D137-K140 PolarHBondContact O-N 2.96Å; D137-E141 WeakPolarHBondContact O-CG 3.46Å; D137-E141 PolarHBondContact O-N 3.1Å
138	I	98.3	Very high	97.9	Very high	3 Å²	3	47.4 Å²	47.4	2%	0.015	25%	0.254	C	S	.	.	H	α-helix	trans	-64.1	-42.2	178.9	-65.6	170.3	0	0	0	110.6	L34 E118 F122 Q134 V135 K140 E141 F142	L34-I138 HydrophobicContact CD2-CD1 3.96Å; L34-I138 HydrophobicContact CD2-CG1 4.23Å; E118-I138 HydrophobicContact CB-CB 4.02Å; E118-I138 HydrophobicContact CB-CG2 3.69Å; E118-I138 HydrophobicContact CG-CB 4.28Å; E118-I138 HydrophobicContact CG-CG2 3.7Å; F122-I138 HydrophobicContact CB-CD1 3.78Å; F122-I138 HydrophobicContact CD2-CD1 3.96Å; F122-I138 HydrophobicContact CG-CD1 4.38Å; Q134-I138 WeakPolarHBondContact O-CG1 3.3Å; Q134-I138 PolarHBondContact O-N 3.19Å; V135-I138 PolarHBondContact O-N 3Å; V135-I138 VanDerWaalsContact O-N 3.15Å; I138-K140 VanDerWaalsContact C-N 3.27Å; I138-K140 PolarHBondContact O-N 3.06Å; I138-E141 PolarHBondContact O-N 3.29Å; I138-F142 HydrophobicContact CG2-CD1 4.47Å; I138-F142 HydrophobicContact CG2-CD2 3.77Å; I138-F142 HydrophobicContact CG2-CE1 4.18Å; I138-F142 HydrophobicContact CG2-CE2 3.42Å; I138-F142 VanDerWaalsContact CG2-CE2 3.42Å; I138-F142 HydrophobicContact CG2-CG 4.29Å; I138-F142 HydrophobicContact CG2-CZ 3.64Å; I138-F142 WeakPolarHBondContact O-CG 3.47Å; I138-F142 PolarHBondContact O-N 3.27Å
139	S	98.5	Very high	97.9	Very high	9 Å²	9	43.5 Å²	43.5	6%	0.063	24%	0.239	C	C	.	.	H	α-helix	trans	-57.4	-42	176.2	-59.8	0	0	0	0	111.5	E118 V135 D137 A143	E118-S139 VanDerWaalsContact CD-OG 3.3Å; E118-S139 WeakPolarHBondContact OE1-CB 3.42Å; E118-S139 PolarHBondContact OE1-OG 2.88Å; V135-S139 PolarHBondContact O-N 3.13Å; V135-S139 PolarHBondContact O-OG 3.4Å; D137-S139 PolarHBondContact O-N 2.94Å; S139-A143 WeakPolarHBondContact O-CB 3.32Å; S139-A143 PolarHBondContact O-N 3.47Å
140	K	98.1	Very high	97.9	Very high	121 Å²	121	44.9 Å²	44.9	53%	0.526	25%	0.251	S	S	.	.	H	α-helix	trans	-69.3	-40.7	176.3	-71.9	171	-174.7	170.6	0	113	D136 D137 I138 A143 S144	D136-K140 WeakPolarHBondContact O-CG 3.36Å; D136-K140 PolarHBondContact O-N 2.95Å; D137-K140 PolarHBondContact O-N 2.96Å; I138-K140 VanDerWaalsContact C-N 3.27Å; I138-K140 PolarHBondContact O-N 3.06Å; K140-A143 PolarHBondContact O-N 2.97Å; K140-S144 WeakPolarHBondContact O-CB 3.33Å; K140-S144 PolarHBondContact O-N 2.7Å; K140-S144 PolarHBondContact O-OG 3.13Å
141	E	98	Very high	97.9	Very high	66 Å²	66	48.4 Å²	48.4	31%	0.308	27%	0.267	S	S	.	.	H	α-helix	trans	-62.1	-43.2	174.9	-79.6	-71.8	121.7	0	0	111.4	D137 I138 S144 R145 M204	D137-E141 WeakPolarHBondContact O-CG 3.46Å; D137-E141 PolarHBondContact O-N 3.1Å; I138-E141 PolarHBondContact O-N 3.29Å; E141-S144 PolarHBondContact O-N 3.06Å; E141-S144 PolarHBondContact O-OG 2.87Å; E141-R145 WeakPolarHBondContact O-CB 3.47Å; E141-R145 VanDerWaalsContact O-CD 3.25Å; E141-R145 WeakPolarHBondContact O-CD 3.49Å; E141-R145 WeakPolarHBondContact O-CG 3.3Å; E141-R145 PolarHBondContact O-N 3.12Å; E141-R145 IonicContact OE2-CZ 3.56Å; E141-R145 VanDerWaalsContact OE2-CZ 3.25Å; E141-R145 IonicContact OE2-NE 2.69Å; E141-R145 PolarHBondContact OE2-NE 3.19Å; E141-R145 IonicContact OE2-NH2 2.77Å; E141-R145 PolarHBondContact OE2-NH2 3.28Å; E141-M204 HydrophobicContact CB-CE 4.03Å
142	F	98.7	Very high	98	Very high	3 Å²	3	44.7 Å²	44.7	1%	0.013	24%	0.244	C	C	.	.	H	α-helix	trans	-65.5	-42.7	174.5	-70.5	-20.3	0	0	0	111.6	E118 F121 I138 S144 R145 A146 M204 I207 A208 W237	E118-F142 HydrophobicContact CG-CD2 3.94Å; E118-F142 HydrophobicContact CG-CE2 3.98Å; F121-F142 AromaticContact CD1-CZ 3.88Å; F121-F142 HydrophobicContact CD1-CZ 3.88Å; F121-F142 HydrophobicContact CE1-CZ 4.15Å; F121-F142 HydrophobicContact CG-CZ 4.45Å; I138-F142 HydrophobicContact CG2-CD1 4.47Å; I138-F142 HydrophobicContact CG2-CD2 3.77Å; I138-F142 HydrophobicContact CG2-CE1 4.18Å; I138-F142 HydrophobicContact CG2-CE2 3.42Å; I138-F142 VanDerWaalsContact CG2-CE2 3.42Å; I138-F142 HydrophobicContact CG2-CG 4.29Å; I138-F142 HydrophobicContact CG2-CZ 3.64Å; I138-F142 WeakPolarHBondContact O-CG 3.47Å; I138-F142 PolarHBondContact O-N 3.27Å; F142-S144 VanDerWaalsContact C-N 3.3Å; F142-S144 PolarHBondContact O-N 2.88Å; F142-R145 PolarHBondContact O-N 2.88Å; F142-A146 PolarHBondContact O-N 3.2Å; F142-M204 HydrophobicContact CD1-CE 3.96Å; F142-M204 HydrophobicContact CE1-CE 3.56Å; F142-M204 HydrophobicContact CE1-SD 3.74Å; F142-M204 HydrophobicContact CZ-CE 4.44Å; F142-M204 HydrophobicContact CZ-SD 4.43Å; F142-I207 HydrophobicContact CD1-CG2 4.33Å; F142-I207 HydrophobicContact CD2-CG2 4.33Å; F142-I207 HydrophobicContact CE1-CB 4.05Å; F142-I207 HydrophobicContact CE1-CG2 3.76Å; F142-I207 HydrophobicContact CE2-CG2 3.76Å; F142-I207 HydrophobicContact CZ-CB 4.17Å; F142-I207 HydrophobicContact CZ-CG2 3.45Å; F142-I207 VanDerWaalsContact CZ-CG2 3.45Å; F142-A208 HydrophobicContact CB-CB 4.29Å; F142-A208 HydrophobicContact CD1-CB 4.27Å; F142-A208 VanDerWaalsContact O-CB 3.24Å; F142-A208 WeakPolarHBondContact O-CB 3.41Å; F142-W237 HydrophobicContact CD2-CB 4.2Å; F142-W237 AromaticContact CD2-CD1 3.83Å; F142-W237 HydrophobicContact CD2-CG 4Å
143	A	98.5	Very high	98	Very high	15 Å²	15	43.8 Å²	43.8	12%	0.124	24%	0.243	C	C	.	.	H	α-helix	trans	-60.6	-38.3	176.5	0	0	0	0	0	112.7	S139 K140 R145 I231	S139-A143 WeakPolarHBondContact O-CB 3.32Å; S139-A143 PolarHBondContact O-N 3.47Å; K140-A143 PolarHBondContact O-N 2.97Å; A143-R145 VanDerWaalsContact C-N 3.31Å; A143-R145 PolarHBondContact O-N 3.49Å; A143-I231 HydrophobicContact CB-CG2 3.68Å
144	S	98.1	Very high	98	Very high	82 Å²	82	46.1 Å²	46.1	57%	0.573	25%	0.249	S	C	*	.	H	α-helix	trans	-76	-16.1	-178.5	72.6	0	0	0	0	114.4	K140 E141 F142	K140-S144 WeakPolarHBondContact O-CB 3.33Å; K140-S144 PolarHBondContact O-N 2.7Å; K140-S144 PolarHBondContact O-OG 3.13Å; E141-S144 PolarHBondContact O-N 3.06Å; E141-S144 PolarHBondContact O-OG 2.87Å; F142-S144 VanDerWaalsContact C-N 3.3Å; F142-S144 PolarHBondContact O-N 2.88Å
145	R	98.5	Very high	98.1	Very high	42 Å²	42	47.4 Å²	47.4	16%	0.158	26%	0.255	C	S	.	.	H	α-helix	trans	-105.4	-1.1	-176.3	-66.2	168.1	-176.5	-98.1	3.4	113.9	E141 F142 A143 D147 E201 D205 A208 K209	E141-R145 WeakPolarHBondContact O-CB 3.47Å; E141-R145 VanDerWaalsContact O-CD 3.25Å; E141-R145 WeakPolarHBondContact O-CD 3.49Å; E141-R145 WeakPolarHBondContact O-CG 3.3Å; E141-R145 PolarHBondContact O-N 3.12Å; E141-R145 IonicContact OE2-CZ 3.56Å; E141-R145 VanDerWaalsContact OE2-CZ 3.25Å; E141-R145 IonicContact OE2-NE 2.69Å; E141-R145 PolarHBondContact OE2-NE 3.19Å; E141-R145 IonicContact OE2-NH2 2.77Å; E141-R145 PolarHBondContact OE2-NH2 3.28Å; F142-R145 PolarHBondContact O-N 2.88Å; A143-R145 VanDerWaalsContact C-N 3.31Å; A143-R145 PolarHBondContact O-N 3.49Å; R145-D147 VanDerWaalsContact C-N 3.32Å; R145-D147 PolarHBondContact O-N 2.87Å; R145-E201 IonicContact CZ-OE2 3.58Å; R145-E201 IonicContact NH1-OE2 2.72Å; R145-E201 PolarHBondContact NH1-OE2 2.85Å; R145-E201 IonicContact NH2-OE2 3.82Å; R145-E201 PolarHBondContact NH2-OE2 3.45Å; R145-D205 WeakPolarHBondContact CD-OD1 3.49Å; R145-D205 IonicContact CZ-OD1 3.83Å; R145-D205 IonicContact NE-OD1 3.54Å; R145-D205 IonicContact NH1-OD1 2.77Å; R145-D205 PolarHBondContact NH1-OD1 3.18Å; R145-A208 HydrophobicContact CB-CB 3.5Å; R145-A208 VanDerWaalsContact CB-CB 3.5Å; R145-K209 WeakPolarHBondContact O-CE 3.23Å; R145-K209 WeakPolarHBondContact O-CG 3.35Å
146	A	98	Very high	98.1	Very high	3 Å²	3	47.4 Å²	47.4	3%	0.025	26%	0.256	C	S	.	.			trans	-78.7	-6.3	-167.3	0	0	0	0	0	115.7	F142 A208 T212 I231	F142-A146 PolarHBondContact O-N 3.2Å; A146-A208 WeakPolarHBondContact CB-O 3.48Å; A146-T212 PolarHBondContact O-OG1 2.66Å; A146-I231 HydrophobicContact CB-CD1 4.2Å; A146-I231 HydrophobicContact CB-CG1 3.95Å
147	D	96.9	Very high	98.1	Very high	133 Å²	133	49.2 Å²	49.2	71%	0.711	27%	0.265	S	S	*	.	P	Polyproline II helix	trans	-65.3	139.6	-179.2	-74.9	-17.9	0	0	0	112.1	R145 K209	R145-D147 VanDerWaalsContact C-N 3.32Å; R145-D147 PolarHBondContact O-N 2.87Å; D147-K209 VanDerWaalsContact O-CE 3.22Å; D147-K209 WeakPolarHBondContact O-CE 3.38Å
148	L	98.2	Very high	98.2	Very high	23 Å²	23	53.5 Å²	53.5	12%	0.12	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-103.4	138.8	176.8	-60.3	-178.6	0	0	0	110.8	L153 L176 K209 T212 V213 I216	L148-L153 HydrophobicContact CB-CD1 4.49Å; L148-L153 HydrophobicContact CB-CD2 3.82Å; L148-L153 HydrophobicContact CB-CG 3.93Å; L148-L153 HydrophobicContact CD1-CD2 3.68Å; L148-L153 HydrophobicContact CG-CD2 4.33Å; L148-L176 HydrophobicContact CD2-CD1 4.39Å; L148-L176 HydrophobicContact CD2-CD2 4.09Å; L148-K209 HydrophobicContact CD2-CB 3.7Å; L148-K209 HydrophobicContact CD2-CD 4.13Å; L148-K209 HydrophobicContact CD2-CG 3.83Å; L148-T212 HydrophobicContact CD1-CG2 3.62Å; L148-T212 HydrophobicContact CG-CG2 3.98Å; L148-V213 HydrophobicContact CD1-CG2 3.81Å; L148-V213 HydrophobicContact CD2-CG2 3.76Å; L148-V213 HydrophobicContact CG-CG2 4.48Å; L148-I216 HydrophobicContact CD1-CD1 3.78Å
149	P	98.2	Very high	98.2	Very high	23 Å²	23	55.5 Å²	55.5	15%	0.149	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-68.9	148.9	172.3	32.1	-36.2	0	0	0	110.4	H151 V152 L153 L176 E179	P149-H151 WeakPolarHBondContact CG-CE1 3.42Å; P149-H151 PolarHBondContact O-N 2.86Å; P149-H151 VanDerWaalsContact O-N 3.13Å; P149-V152 HydrophobicContact CG-CB 4.22Å; P149-V152 HydrophobicContact CG-CG2 3.8Å; P149-V152 PolarHBondContact O-N 3.31Å; P149-L153 PolarHBondContact O-N 3.38Å; P149-L176 HydrophobicContact CG-CD2 4.08Å; P149-E179 HydrophobicContact CG-CG 4.12Å
150	S	98	Very high	98.2	Very high	85 Å²	85	58.3 Å²	58.3	59%	0.594	32%	0.315	S	S	*	.	H	α-helix	trans	-59.3	-30.9	-170.9	58.5	0	0	0	0	114.1	V152 L153 N154	S150-V152 VanDerWaalsContact C-N 3.33Å; S150-V152 PolarHBondContact O-N 3.28Å; S150-L153 PolarHBondContact O-N 3.3Å; S150-N154 WeakPolarHBondContact O-CB 3.38Å; S150-N154 PolarHBondContact O-N 3.35Å; S150-N154 PolarHBondContact O-ND2 3.1Å
151	H	98.4	Very high	98.1	Very high	81 Å²	81	58 Å²	58	38%	0.375	33%	0.325	S	S	.	.	H	α-helix	trans	-68.1	-32.8	178.3	67.1	-78.1	0	0	0	112.6	P149 M155 A175 S178	P149-H151 WeakPolarHBondContact CG-CE1 3.42Å; P149-H151 PolarHBondContact O-N 2.86Å; P149-H151 VanDerWaalsContact O-N 3.13Å; H151-M155 VanDerWaalsContact O-CB 3.31Å; H151-M155 WeakPolarHBondContact O-CB 3.41Å; H151-M155 PolarHBondContact O-N 3.33Å; H151-A175 PolarHBondContact NE2-O 3.1Å; H151-S178 PolarHBondContact CE1-OG 2.93Å; H151-S178 PolarHBondContact NE2-OG 3.45Å; H151-S178 VanDerWaalsContact NE2-OG 3.12Å
152	V	98.6	Very high	98.1	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-72.4	-42.4	176.3	175.1	0	0	0	0	110.3	P149 S150 M155 L156 A172 A175 L176	P149-V152 HydrophobicContact CG-CB 4.22Å; P149-V152 HydrophobicContact CG-CG2 3.8Å; P149-V152 PolarHBondContact O-N 3.31Å; S150-V152 VanDerWaalsContact C-N 3.33Å; S150-V152 PolarHBondContact O-N 3.28Å; V152-M155 PolarHBondContact O-N 3.47Å; V152-L156 HydrophobicContact CG1-CD1 4.08Å; V152-L156 WeakPolarHBondContact O-CG 3.19Å; V152-L156 PolarHBondContact O-N 2.89Å; V152-A172 HydrophobicContact CG1-CB 4.4Å; V152-A175 HydrophobicContact CG2-CB 4.07Å; V152-L176 HydrophobicContact CB-CD2 4.42Å; V152-L176 HydrophobicContact CG1-CD2 4.32Å; V152-L176 HydrophobicContact CG1-CG 4.19Å; V152-L176 HydrophobicContact CG2-CD2 3.86Å; V152-L176 HydrophobicContact CG2-CG 3.98Å
153	L	97.3	Very high	98.1	Very high	59 Å²	59	62.3 Å²	62.3	31%	0.309	36%	0.359	S	S	.	.	H	α-helix	trans	-57.2	-53.8	173.5	-66	175.4	0	0	0	111	L148 P149 S150 M155 L156 D157 I216	L148-L153 HydrophobicContact CB-CD1 4.49Å; L148-L153 HydrophobicContact CB-CD2 3.82Å; L148-L153 HydrophobicContact CB-CG 3.93Å; L148-L153 HydrophobicContact CD1-CD2 3.68Å; L148-L153 HydrophobicContact CG-CD2 4.33Å; P149-L153 PolarHBondContact O-N 3.38Å; S150-L153 PolarHBondContact O-N 3.3Å; L153-M155 VanDerWaalsContact C-N 3.25Å; L153-M155 PolarHBondContact O-N 2.88Å; L153-L156 PolarHBondContact O-N 3.24Å; L153-L156 VanDerWaalsContact O-N 3.14Å; L153-D157 PolarHBondContact O-N 2.98Å; L153-I216 HydrophobicContact CD2-CD1 3.45Å; L153-I216 VanDerWaalsContact CD2-CD1 3.45Å
154	N	98	Very high	98.1	Very high	94 Å²	94	64.5 Å²	64.5	50%	0.503	37%	0.367	S	S	.	.	H	α-helix	trans	-58.9	-36.9	178.6	-69.1	-17.7	0	0	0	112.3	S150 N158	S150-N154 WeakPolarHBondContact O-CB 3.38Å; S150-N154 PolarHBondContact O-N 3.35Å; S150-N154 PolarHBondContact O-ND2 3.1Å; N154-N158 WeakPolarHBondContact O-CB 3.41Å; N154-N158 PolarHBondContact O-N 2.92Å; N154-N158 PolarHBondContact O-ND2 3.28Å
155	M	98.6	Very high	98.1	Very high	55 Å²	55	60.9 Å²	60.9	27%	0.271	34%	0.341	S	S	.	.	H	α-helix	trans	-67	-44.7	177.6	-177.2	-178.7	67.6	0	0	111.6	H151 V152 L153 D157 N158 F159 A171 A172 A175	H151-M155 VanDerWaalsContact O-CB 3.31Å; H151-M155 WeakPolarHBondContact O-CB 3.41Å; H151-M155 PolarHBondContact O-N 3.33Å; V152-M155 PolarHBondContact O-N 3.47Å; L153-M155 VanDerWaalsContact C-N 3.25Å; L153-M155 PolarHBondContact O-N 2.88Å; M155-D157 PolarHBondContact O-N 3.41Å; M155-N158 PolarHBondContact O-N 3.48Å; M155-F159 HydrophobicContact CE-CE2 4.37Å; M155-F159 HydrophobicContact CE-CZ 4.07Å; M155-F159 HydrophobicContact CG-CE1 4.04Å; M155-F159 HydrophobicContact CG-CE2 4.11Å; M155-F159 HydrophobicContact CG-CZ 3.59Å; M155-F159 PolarHBondContact O-N 2.84Å; M155-F159 HydrophobicContact SD-CZ 3.95Å; M155-A171 HydrophobicContact CE-CB 4.43Å; M155-A172 HydrophobicContact CE-CB 4.24Å; M155-A175 HydrophobicContact CE-CB 3.48Å; M155-A175 VanDerWaalsContact CE-CB 3.48Å; M155-A175 HydrophobicContact SD-CB 4.04Å
156	L	98.6	Very high	98.1	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.005	33%	0.333	C	S	.	.	H	α-helix	trans	-61.3	-42.1	177.9	-76.4	167	0	0	0	112.3	V152 L153 N158 F159 A172 V213 I216 I217 N220	V152-L156 HydrophobicContact CG1-CD1 4.08Å; V152-L156 WeakPolarHBondContact O-CG 3.19Å; V152-L156 PolarHBondContact O-N 2.89Å; L153-L156 PolarHBondContact O-N 3.24Å; L153-L156 VanDerWaalsContact O-N 3.14Å; L156-N158 VanDerWaalsContact C-N 3.27Å; L156-N158 PolarHBondContact O-N 3.06Å; L156-F159 HydrophobicContact CD2-CD2 4.3Å; L156-F159 HydrophobicContact CD2-CE2 4.11Å; L156-A172 HydrophobicContact CD1-CB 4.49Å; L156-A172 HydrophobicContact CD2-CB 3.89Å; L156-A172 HydrophobicContact CG-CB 4.3Å; L156-V213 HydrophobicContact CD1-CG1 4.3Å; L156-V213 HydrophobicContact CD1-CG2 4.5Å; L156-V213 HydrophobicContact CD2-CG1 4.42Å; L156-I216 HydrophobicContact CB-CG2 3.74Å; L156-I216 HydrophobicContact CD1-CB 4.22Å; L156-I216 HydrophobicContact CD1-CD1 4.12Å; L156-I216 HydrophobicContact CD1-CG2 4.02Å; L156-I216 HydrophobicContact CG-CG2 4.39Å; L156-I217 HydrophobicContact CD2-CD1 4.07Å; L156-I217 HydrophobicContact CD2-CG1 3.58Å; L156-N220 PolarHBondContact O-ND2 2.86Å; L156-N220 VanDerWaalsContact O-ND2 3.17Å
157	D	98.1	Very high	98.1	Very high	92 Å²	92	61.3 Å²	61.3	49%	0.492	35%	0.35	S	S	.	.	H	α-helix	trans	-70.9	-22.6	-179.5	-68	-17.5	0	0	0	113.3	L153 M155 N220	L153-D157 PolarHBondContact O-N 2.98Å; M155-D157 PolarHBondContact O-N 3.41Å; D157-N220 WeakPolarHBondContact CA-ND2 3.18Å; D157-N220 PolarHBondContact OD1-ND2 3.2Å
158	N	98.3	Very high	98.2	Very high	133 Å²	133	55.1 Å²	55.1	71%	0.711	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	1.4	-178.6	-73.6	-55.3	0	0	0	114.1	N154 M155 L156	N154-N158 WeakPolarHBondContact O-CB 3.41Å; N154-N158 PolarHBondContact O-N 2.92Å; N154-N158 PolarHBondContact O-ND2 3.28Å; M155-N158 PolarHBondContact O-N 3.48Å; L156-N158 VanDerWaalsContact C-N 3.27Å; L156-N158 PolarHBondContact O-N 3.06Å
159	F	98.5	Very high	98.3	Very high	45 Å²	45	54 Å²	54	20%	0.197	31%	0.311	C	S	.	.	S	Bend	trans	-65.5	139.1	173.4	-76.3	-45.7	0	0	0	111	M155 L156 L163 Q168 A171	M155-F159 HydrophobicContact CE-CE2 4.37Å; M155-F159 HydrophobicContact CE-CZ 4.07Å; M155-F159 HydrophobicContact CG-CE1 4.04Å; M155-F159 HydrophobicContact CG-CE2 4.11Å; M155-F159 HydrophobicContact CG-CZ 3.59Å; M155-F159 PolarHBondContact O-N 2.84Å; M155-F159 HydrophobicContact SD-CZ 3.95Å; L156-F159 HydrophobicContact CD2-CD2 4.3Å; L156-F159 HydrophobicContact CD2-CE2 4.11Å; F159-L163 HydrophobicContact CB-CD2 4.15Å; F159-L163 HydrophobicContact CD1-CD2 3.37Å; F159-L163 HydrophobicContact CD2-CD2 4.42Å; F159-L163 HydrophobicContact CE1-CD2 3.8Å; F159-L163 HydrophobicContact CG-CD2 3.75Å; F159-L163 HydrophobicContact CZ-CD2 4.48Å; F159-Q168 HydrophobicContact CB-CG 4.23Å; F159-Q168 HydrophobicContact CD2-CB 3.82Å; F159-Q168 HydrophobicContact CD2-CG 3.66Å; F159-Q168 HydrophobicContact CE2-CB 3.97Å; F159-Q168 HydrophobicContact CE2-CG 4.23Å; F159-Q168 HydrophobicContact CG-CG 4.05Å; F159-A171 HydrophobicContact CE1-CB 4.39Å; F159-A171 HydrophobicContact CE2-CB 4.35Å; F159-A171 HydrophobicContact CZ-CB 3.6Å
160	P	97.9	Very high	98.3	Very high	68 Å²	68	54.3 Å²	54.3	44%	0.442	31%	0.312	S	S	.	.			trans	-67.5	146.1	174.9	29.4	-33.4	0	0	0	109.7	S162 L163	P160-S162 PolarHBondContact O-N 2.91Å; P160-L163 HydrophobicContact CG-CB 4.07Å; P160-L163 WeakPolarHBondContact O-CB 3.39Å; P160-L163 PolarHBondContact O-N 3.41Å
161	P	96.1	Very high	98.3	Very high	114 Å²	114	51.7 Å²	51.7	74%	0.74	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-15.5	-178.4	25.9	-35.4	0	0	0	113.6	L163 L221	P161-L163 VanDerWaalsContact C-N 3.34Å; P161-L221 WeakPolarHBondContact O-CD2 3.45Å
162	S	97.7	Very high	98.4	Very high	111 Å²	111	47.9 Å²	47.9	78%	0.776	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-12.8	174.1	56.9	0	0	0	0	114	P160 H164	P160-S162 PolarHBondContact O-N 2.91Å; S162-H164 PolarHBondContact O-N 3.45Å
163	L	98.6	Very high	98.4	Very high	50 Å²	50	47.9 Å²	47.9	26%	0.262	28%	0.278	S	S	.	.	S	Bend	trans	-76.2	119.6	179	-177.4	60.7	0	0	0	110.1	F159 P160 P161 Q168	F159-L163 HydrophobicContact CB-CD2 4.15Å; F159-L163 HydrophobicContact CD1-CD2 3.37Å; F159-L163 HydrophobicContact CD2-CD2 4.42Å; F159-L163 HydrophobicContact CE1-CD2 3.8Å; F159-L163 HydrophobicContact CG-CD2 3.75Å; F159-L163 HydrophobicContact CZ-CD2 4.48Å; P160-L163 HydrophobicContact CG-CB 4.07Å; P160-L163 WeakPolarHBondContact O-CB 3.39Å; P160-L163 PolarHBondContact O-N 3.41Å; P161-L163 VanDerWaalsContact C-N 3.34Å; L163-Q168 HydrophobicContact CB-CG 4.29Å; L163-Q168 HydrophobicContact CD2-CG 3.82Å; L163-Q168 HydrophobicContact CG-CG 3.85Å; L163-Q168 PolarHBondContact O-NE2 3.17Å
164	H	98.6	Very high	98.4	Very high	61 Å²	61	46.9 Å²	46.9	28%	0.282	28%	0.279	S	S	.	.			trans	-52.2	137.6	-177.6	-172.1	-82.6	0	0	0	112.1	S162 M166 S167 Q168 Q419	S162-H164 PolarHBondContact O-N 3.45Å; H164-M166 VanDerWaalsContact C-N 3.3Å; H164-M166 WeakPolarHBondContact ND1-CB 3.34Å; H164-M166 PolarHBondContact ND1-N 3.02Å; H164-M166 VanDerWaalsContact ND1-N 3.16Å; H164-M166 PolarHBondContact O-N 3.3Å; H164-S167 WeakPolarHBondContact O-CA 3.27Å; H164-S167 WeakPolarHBondContact O-CB 3.49Å; H164-S167 PolarHBondContact O-N 2.91Å; H164-Q168 PolarHBondContact O-N 3.33Å; H164-Q168 VanDerWaalsContact O-N 3.13Å; H164-Q419 PolarHBondContact CD2-OE1 2.62Å; H164-Q419 PolarHBondContact NE2-OE1 3.01Å; H164-Q419 VanDerWaalsContact NE2-OE1 3.11Å
165	P	98.8	Very high	98.5	Very high	5 Å²	5	43.7 Å²	43.7	3%	0.032	27%	0.266	C	S	.	.	H	α-helix	trans	-57	-37.4	-174.7	20.4	-34.2	0	0	0	113.9	S167 Q168 L169 I217 L221 Q419 Y420 V423	P165-S167 VanDerWaalsContact C-N 3.32Å; P165-S167 PolarHBondContact O-N 3.21Å; P165-Q168 WeakPolarHBondContact O-CB 3.33Å; P165-Q168 PolarHBondContact O-N 3.37Å; P165-L169 PolarHBondContact O-N 3.38Å; P165-I217 HydrophobicContact CB-CG2 3.79Å; P165-L221 HydrophobicContact CB-CD1 3.77Å; P165-L221 HydrophobicContact CG-CD1 4.33Å; P165-Q419 HydrophobicContact CG-CB 4.25Å; P165-Q419 WeakPolarHBondContact CG-O 3.37Å; P165-Y420 HydrophobicContact CB-CD2 4.11Å; P165-V423 HydrophobicContact CB-CG2 3.86Å
166	M	98.8	Very high	98.5	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-63.3	-35.3	172.8	-74.3	-63	-66.8	0	0	113.3	H164 Q168 L169 V170 M294 L297 A298 T422 V423	H164-M166 VanDerWaalsContact C-N 3.3Å; H164-M166 WeakPolarHBondContact ND1-CB 3.34Å; H164-M166 PolarHBondContact ND1-N 3.02Å; H164-M166 VanDerWaalsContact ND1-N 3.16Å; H164-M166 PolarHBondContact O-N 3.3Å; M166-Q168 VanDerWaalsContact C-N 3.34Å; M166-L169 HydrophobicContact CE-CD2 4.36Å; M166-L169 PolarHBondContact O-N 3.21Å; M166-L169 HydrophobicContact SD-CD2 4.04Å; M166-V170 VanDerWaalsContact O-CG2 3.27Å; M166-V170 WeakPolarHBondContact O-CG2 3.27Å; M166-V170 PolarHBondContact O-N 3.46Å; M166-M294 HydrophobicContact CE-CB 3.92Å; M166-M294 HydrophobicContact CE-CG 4.43Å; M166-M294 VanDerWaalsContact CE-O 3.32Å; M166-M294 WeakPolarHBondContact CE-O 3.45Å; M166-M294 HydrophobicContact CE-SD 3.94Å; M166-L297 HydrophobicContact CE-CB 4.08Å; M166-L297 HydrophobicContact CE-CD2 4.27Å; M166-L297 HydrophobicContact CE-CG 4.35Å; M166-A298 HydrophobicContact CB-CB 3.87Å; M166-A298 HydrophobicContact CE-CB 4.23Å; M166-A298 HydrophobicContact CG-CB 4.24Å; M166-T422 HydrophobicContact CE-CG2 3.99Å; M166-T422 HydrophobicContact CG-CG2 3.89Å; M166-T422 VanDerWaalsContact SD-C 3.51Å; M166-T422 HydrophobicContact SD-CG2 3.74Å; M166-V423 HydrophobicContact CG-CG2 4.41Å; M166-V423 HydrophobicContact SD-CG2 3.89Å
167	S	98.8	Very high	98.5	Very high	54 Å²	54	43.2 Å²	43.2	38%	0.378	26%	0.264	S	S	.	.	H	α-helix	trans	-68.7	-37.2	176.7	-56	0	0	0	0	111.1	H164 P165 A171	H164-S167 WeakPolarHBondContact O-CA 3.27Å; H164-S167 WeakPolarHBondContact O-CB 3.49Å; H164-S167 PolarHBondContact O-N 2.91Å; P165-S167 VanDerWaalsContact C-N 3.32Å; P165-S167 PolarHBondContact O-N 3.21Å; S167-A171 WeakPolarHBondContact O-CB 3.5Å; S167-A171 PolarHBondContact O-N 3.39Å
168	Q	98.8	Very high	98.5	Very high	2 Å²	2	42 Å²	42	1%	0.009	26%	0.263	C	S	.	.	H	α-helix	trans	-62.9	-43.7	172.1	-58.4	-169.3	27	0	0	111.3	F159 L163 H164 P165 M166 A171 A172 I217	F159-Q168 HydrophobicContact CB-CG 4.23Å; F159-Q168 HydrophobicContact CD2-CB 3.82Å; F159-Q168 HydrophobicContact CD2-CG 3.66Å; F159-Q168 HydrophobicContact CE2-CB 3.97Å; F159-Q168 HydrophobicContact CE2-CG 4.23Å; F159-Q168 HydrophobicContact CG-CG 4.05Å; L163-Q168 HydrophobicContact CB-CG 4.29Å; L163-Q168 HydrophobicContact CD2-CG 3.82Å; L163-Q168 HydrophobicContact CG-CG 3.85Å; L163-Q168 PolarHBondContact O-NE2 3.17Å; H164-Q168 PolarHBondContact O-N 3.33Å; H164-Q168 VanDerWaalsContact O-N 3.13Å; P165-Q168 WeakPolarHBondContact O-CB 3.33Å; P165-Q168 PolarHBondContact O-N 3.37Å; M166-Q168 VanDerWaalsContact C-N 3.34Å; Q168-A171 PolarHBondContact O-N 3.1Å; Q168-A172 WeakPolarHBondContact O-CB 3.14Å; Q168-A172 PolarHBondContact O-N 3.06Å; Q168-I217 HydrophobicContact CB-CD1 3.85Å; Q168-I217 HydrophobicContact CB-CG1 3.9Å; Q168-I217 HydrophobicContact CB-CG2 4.26Å
169	L	98.9	Very high	98.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-61.3	-47.8	176.8	-179.3	67.5	0	0	0	112	P165 M166 A171 A172 C173 L210 V213 I217 M294 V423	P165-L169 PolarHBondContact O-N 3.38Å; M166-L169 HydrophobicContact CE-CD2 4.36Å; M166-L169 PolarHBondContact O-N 3.21Å; M166-L169 HydrophobicContact SD-CD2 4.04Å; L169-A171 PolarHBondContact O-N 3.26Å; L169-A172 PolarHBondContact O-N 3.02Å; L169-C173 WeakPolarHBondContact O-CB 3.44Å; L169-C173 PolarHBondContact O-N 3.36Å; L169-C173 PolarHBondContact O-SG 3.36Å; L169-L210 HydrophobicContact CD1-CD2 4.06Å; L169-V213 HydrophobicContact CD1-CG1 3.92Å; L169-I217 HydrophobicContact CB-CD1 3.93Å; L169-I217 HydrophobicContact CD1-CD1 4.4Å; L169-M294 HydrophobicContact CD2-CG 3.98Å; L169-M294 HydrophobicContact CD2-SD 3.84Å; L169-M294 HydrophobicContact CG-CG 4.43Å; L169-V423 HydrophobicContact CD2-CG1 4.25Å
170	V	98.9	Very high	98.5	Very high	29 Å²	29	37.2 Å²	37.2	18%	0.176	24%	0.238	C	C	.	.	H	α-helix	trans	-56.3	-50.1	176.8	166.3	0	0	0	0	110.6	M166 C173 A174 M294 C295	M166-V170 VanDerWaalsContact O-CG2 3.27Å; M166-V170 WeakPolarHBondContact O-CG2 3.27Å; M166-V170 PolarHBondContact O-N 3.46Å; V170-C173 PolarHBondContact O-N 3.03Å; V170-A174 WeakPolarHBondContact O-CB 3.24Å; V170-A174 PolarHBondContact O-N 2.93Å; V170-M294 HydrophobicContact CG2-CB 3.56Å; V170-C295 VanDerWaalsContact CG1-SG 3.51Å
171	A	98.9	Very high	98.6	Very high	31 Å²	31	37 Å²	37	26%	0.256	23%	0.23	S	C	.	.	H	α-helix	trans	-63.1	-44.3	-178.7	0	0	0	0	0	111.7	M155 F159 S167 Q168 L169 A174 A175	M155-A171 HydrophobicContact CE-CB 4.43Å; F159-A171 HydrophobicContact CE1-CB 4.39Å; F159-A171 HydrophobicContact CE2-CB 4.35Å; F159-A171 HydrophobicContact CZ-CB 3.6Å; S167-A171 WeakPolarHBondContact O-CB 3.5Å; S167-A171 PolarHBondContact O-N 3.39Å; Q168-A171 PolarHBondContact O-N 3.1Å; L169-A171 PolarHBondContact O-N 3.26Å; A171-A174 PolarHBondContact O-N 2.99Å; A171-A175 WeakPolarHBondContact O-CB 3.33Å; A171-A175 PolarHBondContact O-N 2.88Å
172	A	98.8	Very high	98.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.7	-45.1	176.5	0	0	0	0	0	112.5	V152 M155 L156 Q168 L169 A174 A175 L176 V213	V152-A172 HydrophobicContact CG1-CB 4.4Å; M155-A172 HydrophobicContact CE-CB 4.24Å; L156-A172 HydrophobicContact CD1-CB 4.49Å; L156-A172 HydrophobicContact CD2-CB 3.89Å; L156-A172 HydrophobicContact CG-CB 4.3Å; Q168-A172 WeakPolarHBondContact O-CB 3.14Å; Q168-A172 PolarHBondContact O-N 3.06Å; L169-A172 PolarHBondContact O-N 3.02Å; A172-A174 VanDerWaalsContact C-N 3.35Å; A172-A174 PolarHBondContact O-N 3.44Å; A172-A175 PolarHBondContact O-N 3.36Å; A172-L176 WeakPolarHBondContact O-CG 3.48Å; A172-L176 PolarHBondContact O-N 2.94Å; A172-V213 HydrophobicContact CB-CG1 3.56Å
173	C	98.8	Very high	98.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-61.9	-42.6	176.4	-66.4	0	0	0	0	111.6	L169 V170 L176 F290 A291	L169-C173 WeakPolarHBondContact O-CB 3.44Å; L169-C173 PolarHBondContact O-N 3.36Å; L169-C173 PolarHBondContact O-SG 3.36Å; V170-C173 PolarHBondContact O-N 3.03Å; C173-L176 PolarHBondContact O-N 3.26Å; C173-F290 HydrophobicContact CB-CD1 4.34Å; C173-A291 HydrophobicContact CB-CB 4.03Å
174	A	98.8	Very high	98.8	Very high	39 Å²	39	32.4 Å²	32.4	32%	0.322	19%	0.186	S	C	.	.	H	α-helix	trans	-65.4	-41.1	176.3	0	0	0	0	0	112.3	V170 A171 A172 L176 N177 A291	V170-A174 WeakPolarHBondContact O-CB 3.24Å; V170-A174 PolarHBondContact O-N 2.93Å; A171-A174 PolarHBondContact O-N 2.99Å; A172-A174 VanDerWaalsContact C-N 3.35Å; A172-A174 PolarHBondContact O-N 3.44Å; A174-L176 VanDerWaalsContact C-N 3.3Å; A174-L176 PolarHBondContact O-N 2.92Å; A174-N177 WeakPolarHBondContact O-CB 3.4Å; A174-N177 PolarHBondContact O-N 2.83Å; A174-A291 HydrophobicContact CB-CB 4.1Å
175	A	98.8	Very high	98.8	Very high	27 Å²	27	29.7 Å²	29.7	22%	0.223	17%	0.174	C	C	.	.	H	α-helix	trans	-68.6	-27.3	178.4	0	0	0	0	0	113.4	H151 V152 M155 A171 A172 N177 S178	H151-A175 PolarHBondContact NE2-O 3.1Å; V152-A175 HydrophobicContact CG2-CB 4.07Å; M155-A175 HydrophobicContact CE-CB 3.48Å; M155-A175 VanDerWaalsContact CE-CB 3.48Å; M155-A175 HydrophobicContact SD-CB 4.04Å; A171-A175 WeakPolarHBondContact O-CB 3.33Å; A171-A175 PolarHBondContact O-N 2.88Å; A172-A175 PolarHBondContact O-N 3.36Å; A175-N177 PolarHBondContact O-N 3Å; A175-S178 PolarHBondContact O-N 3.22Å; A175-S178 PolarHBondContact O-OG 3.25Å
176	L	98.8	Very high	98.8	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-67.3	-13.6	173.2	-79.6	169.5	0	0	0	113.5	L148 P149 V152 A172 C173 A174 S178 E179 K209 V213 Y287	L148-L176 HydrophobicContact CD2-CD1 4.39Å; L148-L176 HydrophobicContact CD2-CD2 4.09Å; P149-L176 HydrophobicContact CG-CD2 4.08Å; V152-L176 HydrophobicContact CB-CD2 4.42Å; V152-L176 HydrophobicContact CG1-CD2 4.32Å; V152-L176 HydrophobicContact CG1-CG 4.19Å; V152-L176 HydrophobicContact CG2-CD2 3.86Å; V152-L176 HydrophobicContact CG2-CG 3.98Å; A172-L176 WeakPolarHBondContact O-CG 3.48Å; A172-L176 PolarHBondContact O-N 2.94Å; C173-L176 PolarHBondContact O-N 3.26Å; A174-L176 VanDerWaalsContact C-N 3.3Å; A174-L176 PolarHBondContact O-N 2.92Å; L176-S178 PolarHBondContact O-N 3.13Å; L176-S178 VanDerWaalsContact O-N 3.08Å; L176-E179 WeakPolarHBondContact O-CB 3.46Å; L176-E179 PolarHBondContact O-N 3.17Å; L176-K209 HydrophobicContact CD1-CB 4.46Å; L176-K209 HydrophobicContact CD2-CD 4.02Å; L176-V213 HydrophobicContact CD1-CG2 4.03Å; L176-Y287 HydrophobicContact CB-CD1 3.5Å; L176-Y287 VanDerWaalsContact CB-CD1 3.5Å; L176-Y287 HydrophobicContact CB-CE1 3.7Å; L176-Y287 HydrophobicContact CB-CG 4.43Å
177	N	98.6	Very high	98.7	Very high	45 Å²	45	39.1 Å²	39.1	24%	0.241	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-54.5	-24.8	172.1	174.5	-95.1	0	0	0	113.3	A174 A175 E179 S180 D285 L288	A174-N177 WeakPolarHBondContact O-CB 3.4Å; A174-N177 PolarHBondContact O-N 2.83Å; A175-N177 PolarHBondContact O-N 3Å; N177-E179 PolarHBondContact O-N 3.46Å; N177-S180 VanDerWaalsContact O-CB 3.22Å; N177-S180 WeakPolarHBondContact O-CB 3.44Å; N177-S180 PolarHBondContact O-N 3.41Å; N177-D285 PolarHBondContact ND2-OD1 2.67Å; N177-D285 PolarHBondContact ND2-OD2 2.92Å; N177-L288 HydrophobicContact CB-CD2 3.91Å; N177-L288 HydrophobicContact CB-CG 4.25Å; N177-L288 WeakPolarHBondContact ND2-CG 3.24Å
178	S	98.6	Very high	98.7	Very high	66 Å²	66	43.6 Å²	43.6	46%	0.462	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-52.4	-26.8	173.6	65.6	0	0	0	0	113.1	H151 A175 L176	H151-S178 PolarHBondContact CE1-OG 2.93Å; H151-S178 PolarHBondContact NE2-OG 3.45Å; H151-S178 VanDerWaalsContact NE2-OG 3.12Å; A175-S178 PolarHBondContact O-N 3.22Å; A175-S178 PolarHBondContact O-OG 3.25Å; L176-S178 PolarHBondContact O-N 3.13Å; L176-S178 VanDerWaalsContact O-N 3.08Å
179	E	98.7	Very high	98.6	Very high	73 Å²	73	46.5 Å²	46.5	34%	0.341	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-88.3	-6.2	-179.9	-54.4	-58.6	105.3	0	0	113.2	P149 L176 N177 K181	P149-E179 HydrophobicContact CG-CG 4.12Å; L176-E179 WeakPolarHBondContact O-CB 3.46Å; L176-E179 PolarHBondContact O-N 3.17Å; N177-E179 PolarHBondContact O-N 3.46Å; E179-K181 PolarHBondContact O-N 3.46Å; E179-K181 VanDerWaalsContact O-N 3.13Å
180	S	98.8	Very high	98.6	Very high	5 Å²	5	47.9 Å²	47.9	4%	0.035	28%	0.276	C	S	.	.			trans	-59.9	117.5	-171	176.5	0	0	0	0	112.2	N177 F182 A183 D202 D285	N177-S180 VanDerWaalsContact O-CB 3.22Å; N177-S180 WeakPolarHBondContact O-CB 3.44Å; N177-S180 PolarHBondContact O-N 3.41Å; S180-F182 PolarHBondContact OG-N 3.15Å; S180-A183 WeakPolarHBondContact OG-CB 3.37Å; S180-A183 PolarHBondContact OG-N 2.96Å; S180-D202 WeakPolarHBondContact CA-OD2 3.19Å; S180-D202 WeakPolarHBondContact CB-OD2 3.43Å; S180-D202 PolarHBondContact OG-OD2 3.03Å; S180-D285 VanDerWaalsContact OG-CB 3.25Å; S180-D285 WeakPolarHBondContact OG-CB 3.39Å
181	K	98.8	Very high	98.6	Very high	64 Å²	64	54 Å²	54	28%	0.278	30%	0.3	S	S	.	.	H	α-helix	trans	-73.8	-36.9	171.9	-63.1	160.3	176.8	162.6	0	109.9	E179 A185 Y198 E201 D202 D205	E179-K181 PolarHBondContact O-N 3.46Å; E179-K181 VanDerWaalsContact O-N 3.13Å; K181-A185 WeakPolarHBondContact O-CB 3.43Å; K181-A185 PolarHBondContact O-N 3.04Å; K181-Y198 HydrophobicContact CB-CD1 4.2Å; K181-E201 HydrophobicContact CD-CB 3.57Å; K181-E201 HydrophobicContact CD-CG 4.24Å; K181-E201 IonicContact NZ-OE2 3.48Å; K181-D202 WeakPolarHBondContact CB-OD1 3.21Å; K181-D202 PolarHBondContact N-OD1 3.24Å; K181-D202 PolarHBondContact N-OD2 3.36Å; K181-D205 VanDerWaalsContact CE-OD2 3.31Å; K181-D205 WeakPolarHBondContact CE-OD2 3.49Å; K181-D205 IonicContact NZ-OD1 3.66Å; K181-D205 PolarHBondContact NZ-OD1 2.93Å; K181-D205 IonicContact NZ-OD2 3.58Å; K181-D205 PolarHBondContact NZ-OD2 3.26Å
182	F	98.9	Very high	98.5	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.009	31%	0.314	C	S	.	.	H	α-helix	trans	-66.3	-47	178.7	179.1	-110.6	0	0	0	112.4	S180 R184 A185 Y186 I190 Y195 V199 D202 L283 D285	S180-F182 PolarHBondContact OG-N 3.15Å; F182-R184 VanDerWaalsContact C-N 3.3Å; F182-R184 PolarHBondContact O-N 2.85Å; F182-A185 PolarHBondContact O-N 3.15Å; F182-Y186 HydrophobicContact CZ-CD2 4.16Å; F182-Y186 VanDerWaalsContact O-CB 3.25Å; F182-Y186 WeakPolarHBondContact O-CB 3.43Å; F182-Y186 PolarHBondContact O-N 3.23Å; F182-I190 HydrophobicContact CD2-CD1 4.37Å; F182-I190 HydrophobicContact CE2-CD1 4.38Å; F182-Y195 HydrophobicContact CE2-CD1 4.01Å; F182-Y195 HydrophobicContact CE2-CD2 4.38Å; F182-Y195 AromaticContact CE2-CG 3.82Å; F182-Y195 HydrophobicContact CE2-CG 3.82Å; F182-Y195 HydrophobicContact CZ-CD2 4.44Å; F182-Y195 HydrophobicContact CZ-CG 4.33Å; F182-V199 HydrophobicContact CB-CG2 4.2Å; F182-V199 HydrophobicContact CD1-CG2 4.02Å; F182-V199 HydrophobicContact CD2-CG2 3.73Å; F182-V199 HydrophobicContact CE1-CG2 4.32Å; F182-V199 HydrophobicContact CE2-CG2 4.08Å; F182-V199 HydrophobicContact CG-CG2 3.7Å; F182-V199 HydrophobicContact CZ-CG2 4.36Å; F182-D202 WeakPolarHBondContact CB-OD2 3.37Å; F182-D202 PolarHBondContact N-OD2 3.37Å; F182-L283 HydrophobicContact CE1-CB 4.42Å; F182-L283 WeakPolarHBondContact CE1-O 3.28Å; F182-L283 HydrophobicContact CZ-CB 4.4Å; F182-D285 HydrophobicContact CB-CB 4.36Å; F182-D285 HydrophobicContact CD1-CB 3.97Å
183	A	98.7	Very high	98.4	Very high	40 Å²	40	62.1 Å²	62.1	33%	0.331	34%	0.34	S	S	.	.	H	α-helix	trans	-58.3	-43.9	178	0	0	0	0	0	111.6	S180 S187	S180-A183 WeakPolarHBondContact OG-CB 3.37Å; S180-A183 PolarHBondContact OG-N 2.96Å; A183-S187 PolarHBondContact O-N 3.11Å; A183-S187 VanDerWaalsContact O-N 3.13Å; A183-S187 PolarHBondContact O-OG 3.12Å
184	R	98.7	Very high	98.4	Very high	136 Å²	136	65 Å²	65	51%	0.513	36%	0.355	S	S	.	.	H	α-helix	trans	-63.8	-48.4	176.1	-166.4	-171.1	-32.5	-168.3	6.3	112.1	F182 S187 Q188	F182-R184 VanDerWaalsContact C-N 3.3Å; F182-R184 PolarHBondContact O-N 2.85Å; R184-S187 PolarHBondContact O-N 3.02Å; R184-S187 PolarHBondContact O-OG 3.22Å; R184-Q188 WeakPolarHBondContact O-CG 3.4Å; R184-Q188 PolarHBondContact O-N 3.18Å
185	A	98.7	Very high	98.4	Very high	4 Å²	4	64.6 Å²	64.6	3%	0.033	35%	0.345	C	S	.	.	H	α-helix	trans	-66.8	-39.7	-178.6	0	0	0	0	0	111.9	K181 F182 S187 Q188 G189 I190 Y198	K181-A185 WeakPolarHBondContact O-CB 3.43Å; K181-A185 PolarHBondContact O-N 3.04Å; F182-A185 PolarHBondContact O-N 3.15Å; A185-S187 PolarHBondContact O-N 3.15Å; A185-Q188 CarbonylContact O-C 3.55Å; A185-Q188 WeakPolarHBondContact O-CB 3.35Å; A185-Q188 PolarHBondContact O-N 3.27Å; A185-Q188 VanDerWaalsContact O-N 3.13Å; A185-G189 PolarHBondContact O-N 3Å; A185-I190 HydrophobicContact CB-CD1 3.74Å; A185-I190 HydrophobicContact CB-CG1 4.17Å; A185-I190 HydrophobicContact CB-CG2 3.74Å; A185-I190 WeakPolarHBondContact O-CG1 3.35Å; A185-I190 WeakPolarHBondContact O-CG2 3.23Å; A185-I190 PolarHBondContact O-N 2.61Å; A185-Y198 HydrophobicContact CB-CD1 3.51Å; A185-Y198 HydrophobicContact CB-CD2 4.17Å; A185-Y198 HydrophobicContact CB-CE1 3.42Å; A185-Y198 VanDerWaalsContact CB-CE1 3.42Å; A185-Y198 HydrophobicContact CB-CE2 4.1Å; A185-Y198 HydrophobicContact CB-CG 3.89Å
186	Y	98.5	Very high	98.4	Very high	108 Å²	108	64 Å²	64	42%	0.424	34%	0.337	S	S	.	.	H	α-helix	trans	-60.6	-45.3	176	-173.6	-90.3	0	0	0	111.6	F182 Q188 G189 Y195 L283	F182-Y186 HydrophobicContact CZ-CD2 4.16Å; F182-Y186 VanDerWaalsContact O-CB 3.25Å; F182-Y186 WeakPolarHBondContact O-CB 3.43Å; F182-Y186 PolarHBondContact O-N 3.23Å; Y186-Q188 PolarHBondContact O-N 2.72Å; Y186-G189 PolarHBondContact O-N 3.31Å; Y186-Y195 HydrophobicContact CD2-CE1 4.04Å; Y186-Y195 HydrophobicContact CD2-CE2 4.45Å; Y186-Y195 AromaticContact CD2-CZ 3.84Å; Y186-Y195 HydrophobicContact CE2-CE1 4.35Å; Y186-Y195 HydrophobicContact CE2-CE2 4.18Å; Y186-Y195 AromaticContact CE2-CZ 3.69Å; Y186-Y195 VanDerWaalsContact CE2-OH 3.31Å; Y186-Y195 WeakPolarHBondContact CE2-OH 3.44Å; Y186-L283 HydrophobicContact CE2-CB 4.49Å; Y186-L283 HydrophobicContact CE2-CD1 3.6Å
187	S	98	Very high	98.4	Very high	95 Å²	95	67 Å²	67	66%	0.664	35%	0.351	S	S	*	.	H	α-helix	trans	-64.7	-23.6	176.1	65.7	0	0	0	0	113.6	A183 R184 A185 G189	A183-S187 PolarHBondContact O-N 3.11Å; A183-S187 VanDerWaalsContact O-N 3.13Å; A183-S187 PolarHBondContact O-OG 3.12Å; R184-S187 PolarHBondContact O-N 3.02Å; R184-S187 PolarHBondContact O-OG 3.22Å; A185-S187 PolarHBondContact O-N 3.15Å; S187-G189 VanDerWaalsContact C-N 3.34Å
188	Q	98.2	Very high	98.4	Very high	149 Å²	149	68.5 Å²	68.5	70%	0.696	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-0.6	173	-67.1	173	-4.6	0	0	113.8	R184 A185 Y186	R184-Q188 WeakPolarHBondContact O-CG 3.4Å; R184-Q188 PolarHBondContact O-N 3.18Å; A185-Q188 CarbonylContact O-C 3.55Å; A185-Q188 WeakPolarHBondContact O-CB 3.35Å; A185-Q188 PolarHBondContact O-N 3.27Å; A185-Q188 VanDerWaalsContact O-N 3.13Å; Y186-Q188 PolarHBondContact O-N 2.72Å
189	G	98	Very high	98.4	Very high	62 Å²	62	65.5 Å²	65.5	64%	0.639	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.1	34.2	173.6	0	0	0	0	0	115.3	A185 Y186 S187	A185-G189 PolarHBondContact O-N 3Å; Y186-G189 PolarHBondContact O-N 3.31Å; S187-G189 VanDerWaalsContact C-N 3.34Å
190	I	98	Very high	98.4	Very high	29 Å²	29	62.5 Å²	62.5	15%	0.149	32%	0.318	C	S	.	.			trans	-55.3	149.5	172.8	57	166	0	0	0	112.6	F182 A185 Y195 Y198	F182-I190 HydrophobicContact CD2-CD1 4.37Å; F182-I190 HydrophobicContact CE2-CD1 4.38Å; A185-I190 HydrophobicContact CB-CD1 3.74Å; A185-I190 HydrophobicContact CB-CG1 4.17Å; A185-I190 HydrophobicContact CB-CG2 3.74Å; A185-I190 WeakPolarHBondContact O-CG1 3.35Å; A185-I190 WeakPolarHBondContact O-CG2 3.23Å; A185-I190 PolarHBondContact O-N 2.61Å; I190-Y195 HydrophobicContact CD1-CD1 3.67Å; I190-Y195 HydrophobicContact CD1-CE1 4.09Å; I190-Y195 HydrophobicContact CG1-CD1 3.93Å; I190-Y195 HydrophobicContact CG1-CE1 3.84Å; I190-Y195 WeakPolarHBondContact O-CE1 3.42Å; I190-Y198 HydrophobicContact CB-CE2 4.47Å; I190-Y198 HydrophobicContact CD1-CD2 3.53Å; I190-Y198 HydrophobicContact CD1-CE2 3.77Å; I190-Y198 HydrophobicContact CD1-CG 4.22Å; I190-Y198 HydrophobicContact CG2-CE2 3.93Å
191	K	98	Very high	98.4	Very high	157 Å²	157	63.8 Å²	63.8	68%	0.683	32%	0.324	S	S	*	.			trans	-66.7	141.3	177.3	-65.7	-178.3	-179.6	177.4	0	110.8	S193 L194 Y195	K191-S193 PolarHBondContact O-N 3.48Å; K191-S193 VanDerWaalsContact O-N 3.13Å; K191-L194 HydrophobicContact CB-CD1 4.38Å; K191-L194 HydrophobicContact CB-CG 4.42Å; K191-L194 PolarHBondContact O-N 3.09Å; K191-Y195 WeakPolarHBondContact O-CD1 3.37Å
192	K	97.7	Very high	98.4	Very high	125 Å²	125	60.8 Å²	60.8	54%	0.543	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-51.4	-37.5	177.7	-176.2	175.9	178	-177.4	0	113.6	L194 Y195 G444	K192-L194 PolarHBondContact O-N 2.98Å; K192-Y195 HydrophobicContact CB-CE1 4.45Å; K192-Y195 HydrophobicContact CB-CE2 4.12Å; K192-Y195 HydrophobicContact CG-CD2 4.05Å; K192-Y195 HydrophobicContact CG-CE2 3.83Å; K192-Y195 PolarHBondContact O-N 2.86Å; K192-G444 PolarHBondContact NZ-O 3.13Å
193	S	97.3	Very high	98.4	Very high	78 Å²	78	60.7 Å²	60.7	55%	0.545	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-63.9	-17.4	178.8	57.9	0	0	0	0	114.2	K191	K191-S193 PolarHBondContact O-N 3.48Å; K191-S193 VanDerWaalsContact O-N 3.13Å
194	L	98.1	Very high	98.4	Very high	61 Å²	61	58.8 Å²	58.8	32%	0.319	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-103.2	-1.4	-178.6	-56.3	176.9	0	0	0	112.8	K191 K192 W196 E197 Y198	K191-L194 HydrophobicContact CB-CD1 4.38Å; K191-L194 HydrophobicContact CB-CG 4.42Å; K191-L194 PolarHBondContact O-N 3.09Å; K192-L194 PolarHBondContact O-N 2.98Å; L194-W196 PolarHBondContact O-N 3.37Å; L194-E197 VanDerWaalsContact CD2-OE1 3.24Å; L194-E197 WeakPolarHBondContact CD2-OE1 3.48Å; L194-E197 WeakPolarHBondContact O-CB 3.35Å; L194-E197 PolarHBondContact O-N 3.29Å; L194-E197 VanDerWaalsContact O-N 3.08Å; L194-Y198 WeakPolarHBondContact O-CD2 3.32Å
195	Y	98.8	Very high	98.4	Very high	30 Å²	30	53 Å²	53	12%	0.118	27%	0.274	C	S	.	.	H	α-helix	trans	-55.6	-40.4	-177.6	-72.8	-1.5	0	0	0	112.4	F182 Y186 I190 K191 K192 E197 Y198 V199 L283	F182-Y195 HydrophobicContact CE2-CD1 4.01Å; F182-Y195 HydrophobicContact CE2-CD2 4.38Å; F182-Y195 AromaticContact CE2-CG 3.82Å; F182-Y195 HydrophobicContact CE2-CG 3.82Å; F182-Y195 HydrophobicContact CZ-CD2 4.44Å; F182-Y195 HydrophobicContact CZ-CG 4.33Å; Y186-Y195 HydrophobicContact CD2-CE1 4.04Å; Y186-Y195 HydrophobicContact CD2-CE2 4.45Å; Y186-Y195 AromaticContact CD2-CZ 3.84Å; Y186-Y195 HydrophobicContact CE2-CE1 4.35Å; Y186-Y195 HydrophobicContact CE2-CE2 4.18Å; Y186-Y195 AromaticContact CE2-CZ 3.69Å; Y186-Y195 VanDerWaalsContact CE2-OH 3.31Å; Y186-Y195 WeakPolarHBondContact CE2-OH 3.44Å; I190-Y195 HydrophobicContact CD1-CD1 3.67Å; I190-Y195 HydrophobicContact CD1-CE1 4.09Å; I190-Y195 HydrophobicContact CG1-CD1 3.93Å; I190-Y195 HydrophobicContact CG1-CE1 3.84Å; I190-Y195 WeakPolarHBondContact O-CE1 3.42Å; K191-Y195 WeakPolarHBondContact O-CD1 3.37Å; K192-Y195 HydrophobicContact CB-CE1 4.45Å; K192-Y195 HydrophobicContact CB-CE2 4.12Å; K192-Y195 HydrophobicContact CG-CD2 4.05Å; K192-Y195 HydrophobicContact CG-CE2 3.83Å; K192-Y195 PolarHBondContact O-N 2.86Å; Y195-E197 PolarHBondContact O-N 2.92Å; Y195-Y198 PolarHBondContact O-N 3.1Å; Y195-V199 PolarHBondContact O-N 3.24Å; Y195-V199 VanDerWaalsContact O-N 3.08Å; Y195-L283 HydrophobicContact CD2-CD2 4.29Å; Y195-L283 HydrophobicContact CE2-CD1 3.89Å; Y195-L283 HydrophobicContact CE2-CD2 4.3Å
196	W	98.7	Very high	98.5	Very high	15 Å²	15	52.8 Å²	52.8	6%	0.057	27%	0.272	C	S	.	.	H	α-helix	trans	-61.7	-30.8	-179.2	78.6	-91.7	0	0	0	112.8	K35 M38 A39 I42 L194 Y198 V199 Y200 I438 R441 A442	K35-W196 HydrophobicContact CG-CH2 4.12Å; K35-W196 HydrophobicContact CG-CZ3 4.17Å; M38-W196 HydrophobicContact CB-CH2 4.13Å; M38-W196 HydrophobicContact CB-CZ3 3.85Å; A39-W196 HydrophobicContact CB-CH2 4Å; A39-W196 HydrophobicContact CB-CZ2 4.02Å; I42-W196 HydrophobicContact CD1-CD2 3.33Å; I42-W196 VanDerWaalsContact CD1-CE2 3.4Å; I42-W196 HydrophobicContact CD1-CE3 3.59Å; I42-W196 HydrophobicContact CD1-CG 3.85Å; I42-W196 HydrophobicContact CD1-CH2 3.97Å; I42-W196 HydrophobicContact CD1-CZ2 3.74Å; I42-W196 HydrophobicContact CD1-CZ3 3.9Å; L194-W196 PolarHBondContact O-N 3.37Å; W196-Y198 PolarHBondContact O-N 3.5Å; W196-V199 PolarHBondContact O-N 2.89Å; W196-Y200 WeakPolarHBondContact O-CB 3.46Å; W196-Y200 PolarHBondContact O-N 3.43Å; W196-I438 HydrophobicContact CE3-CG2 4.47Å; W196-R441 HydrophobicContact CB-CB 4.12Å; W196-A442 HydrophobicContact CB-CB 3.83Å; W196-A442 HydrophobicContact CG-CB 4.13Å
197	E	98.7	Very high	98.5	Very high	62 Å²	62	47.7 Å²	47.7	29%	0.29	25%	0.252	S	S	.	.	H	α-helix	trans	-67	-39.3	-177.9	-66	-177.2	-157.5	0	0	111.7	L194 Y195 Y200 E201	L194-E197 VanDerWaalsContact CD2-OE1 3.24Å; L194-E197 WeakPolarHBondContact CD2-OE1 3.48Å; L194-E197 WeakPolarHBondContact O-CB 3.35Å; L194-E197 PolarHBondContact O-N 3.29Å; L194-E197 VanDerWaalsContact O-N 3.08Å; Y195-E197 PolarHBondContact O-N 2.92Å; E197-Y200 WeakPolarHBondContact O-CB 3.49Å; E197-E201 WeakPolarHBondContact O-CG 3.41Å; E197-E201 PolarHBondContact O-N 3.49Å
198	Y	98.8	Very high	98.5	Very high	78 Å²	78	43.2 Å²	43.2	31%	0.306	22%	0.221	S	C	.	.	H	α-helix	trans	-80.5	-35	178.5	-66.7	-90.3	0	0	0	111.8	K181 A185 I190 L194 Y195 W196 Y200 E201 D202	K181-Y198 HydrophobicContact CB-CD1 4.2Å; A185-Y198 HydrophobicContact CB-CD1 3.51Å; A185-Y198 HydrophobicContact CB-CD2 4.17Å; A185-Y198 HydrophobicContact CB-CE1 3.42Å; A185-Y198 VanDerWaalsContact CB-CE1 3.42Å; A185-Y198 HydrophobicContact CB-CE2 4.1Å; A185-Y198 HydrophobicContact CB-CG 3.89Å; I190-Y198 HydrophobicContact CB-CE2 4.47Å; I190-Y198 HydrophobicContact CD1-CD2 3.53Å; I190-Y198 HydrophobicContact CD1-CE2 3.77Å; I190-Y198 HydrophobicContact CD1-CG 4.22Å; I190-Y198 HydrophobicContact CG2-CE2 3.93Å; L194-Y198 WeakPolarHBondContact O-CD2 3.32Å; Y195-Y198 PolarHBondContact O-N 3.1Å; W196-Y198 PolarHBondContact O-N 3.5Å; Y198-Y200 VanDerWaalsContact C-N 3.28Å; Y198-E201 PolarHBondContact O-N 2.86Å; Y198-D202 PolarHBondContact O-N 2.94Å
199	V	98.9	Very high	98.5	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.012	19%	0.191	C	C	.	.	H	α-helix	trans	-65.4	-33.8	171.1	165.7	0	0	0	0	111.4	F182 Y195 W196 S203 P286 L437 I438 R441	F182-V199 HydrophobicContact CB-CG2 4.2Å; F182-V199 HydrophobicContact CD1-CG2 4.02Å; F182-V199 HydrophobicContact CD2-CG2 3.73Å; F182-V199 HydrophobicContact CE1-CG2 4.32Å; F182-V199 HydrophobicContact CE2-CG2 4.08Å; F182-V199 HydrophobicContact CG-CG2 3.7Å; F182-V199 HydrophobicContact CZ-CG2 4.36Å; Y195-V199 PolarHBondContact O-N 3.24Å; Y195-V199 VanDerWaalsContact O-N 3.08Å; W196-V199 PolarHBondContact O-N 2.89Å; V199-S203 WeakPolarHBondContact O-CB 3.48Å; V199-S203 PolarHBondContact O-N 2.98Å; V199-S203 PolarHBondContact O-OG 3.48Å; V199-P286 HydrophobicContact CB-CG 4.38Å; V199-P286 HydrophobicContact CG1-CG 3.92Å; V199-P286 HydrophobicContact CG2-CG 4.46Å; V199-L437 HydrophobicContact CG1-CD2 4.46Å; V199-L437 HydrophobicContact CG1-CG 4.13Å; V199-I438 HydrophobicContact CG1-CG1 4.02Å; V199-R441 HydrophobicContact CB-CG 4.13Å; V199-R441 HydrophobicContact CG1-CG 4.07Å; V199-R441 HydrophobicContact CG2-CG 3.78Å
200	Y	98.9	Very high	98.6	Very high	10 Å²	10	33.8 Å²	33.8	4%	0.039	16%	0.16	C	C	.	.	H	α-helix	trans	-60.8	-50.6	169.6	172.7	-85.5	0	0	0	111.1	L34 K35 L125 W196 E197 Y198 D202 S203 M204 I438	L34-Y200 HydrophobicContact CD2-CE2 4.14Å; L34-Y200 HydrophobicContact CG-CE2 4.06Å; K35-Y200 HydrophobicContact CB-CD1 4.36Å; K35-Y200 HydrophobicContact CB-CE1 3.79Å; K35-Y200 HydrophobicContact CB-CE2 4.48Å; K35-Y200 HydrophobicContact CD-CD1 3.88Å; K35-Y200 HydrophobicContact CD-CE1 3.92Å; K35-Y200 HydrophobicContact CG-CD1 3.99Å; K35-Y200 HydrophobicContact CG-CE1 3.93Å; K35-Y200 HydrophobicContact CG-CG 4.48Å; L125-Y200 HydrophobicContact CD1-CE2 4.41Å; W196-Y200 WeakPolarHBondContact O-CB 3.46Å; W196-Y200 PolarHBondContact O-N 3.43Å; E197-Y200 WeakPolarHBondContact O-CB 3.49Å; Y198-Y200 VanDerWaalsContact C-N 3.28Å; Y200-D202 PolarHBondContact O-N 3.42Å; Y200-S203 PolarHBondContact O-N 3.38Å; Y200-M204 HydrophobicContact CD1-CG 4.09Å; Y200-M204 HydrophobicContact CD2-CG 4.48Å; Y200-M204 HydrophobicContact CE1-CG 3.66Å; Y200-M204 HydrophobicContact CE2-CG 4.12Å; Y200-M204 HydrophobicContact CE2-SD 4.23Å; Y200-M204 HydrophobicContact CG-CG 4.47Å; Y200-M204 VanDerWaalsContact O-CG 3.29Å; Y200-M204 WeakPolarHBondContact O-CG 3.35Å; Y200-M204 PolarHBondContact O-N 2.9Å; Y200-I438 HydrophobicContact CD2-CD1 4.11Å
201	E	98.8	Very high	98.6	Very high	33 Å²	33	32.5 Å²	32.5	15%	0.154	15%	0.154	C	C	.	.	H	α-helix	trans	-59.5	-48.3	179.2	-67.5	-57.5	145.9	0	0	112.4	K35 R145 K181 E197 Y198 S203 M204 D205	K35-E201 IonicContact NZ-OE1 2.87Å; K35-E201 PolarHBondContact NZ-OE1 3.27Å; R145-E201 IonicContact CZ-OE2 3.58Å; R145-E201 IonicContact NH1-OE2 2.72Å; R145-E201 PolarHBondContact NH1-OE2 2.85Å; R145-E201 IonicContact NH2-OE2 3.82Å; R145-E201 PolarHBondContact NH2-OE2 3.45Å; K181-E201 HydrophobicContact CD-CB 3.57Å; K181-E201 HydrophobicContact CD-CG 4.24Å; K181-E201 IonicContact NZ-OE2 3.48Å; E197-E201 WeakPolarHBondContact O-CG 3.41Å; E197-E201 PolarHBondContact O-N 3.49Å; Y198-E201 PolarHBondContact O-N 2.86Å; E201-S203 VanDerWaalsContact C-N 3.29Å; E201-S203 PolarHBondContact O-N 2.93Å; E201-M204 PolarHBondContact O-N 2.93Å; E201-D205 WeakPolarHBondContact O-CB 3.25Å; E201-D205 PolarHBondContact O-N 2.89Å
202	D	98.9	Very high	98.7	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-64.7	-34.8	179.5	-78.1	-5.9	0	0	0	111.8	S180 K181 F182 Y198 Y200 L206 P286 Y287	S180-D202 WeakPolarHBondContact CA-OD2 3.19Å; S180-D202 WeakPolarHBondContact CB-OD2 3.43Å; S180-D202 PolarHBondContact OG-OD2 3.03Å; K181-D202 WeakPolarHBondContact CB-OD1 3.21Å; K181-D202 PolarHBondContact N-OD1 3.24Å; K181-D202 PolarHBondContact N-OD2 3.36Å; F182-D202 WeakPolarHBondContact CB-OD2 3.37Å; F182-D202 PolarHBondContact N-OD2 3.37Å; Y198-D202 PolarHBondContact O-N 2.94Å; Y200-D202 PolarHBondContact O-N 3.42Å; D202-L206 VanDerWaalsContact O-CB 3.27Å; D202-L206 WeakPolarHBondContact O-CB 3.45Å; D202-L206 PolarHBondContact O-N 2.94Å; D202-P286 HydrophobicContact CB-CB 4.08Å; D202-P286 HydrophobicContact CB-CG 3.62Å; D202-Y287 HydrophobicContact CB-CD2 4.38Å; D202-Y287 HydrophobicContact CB-CE2 3.86Å
203	S	98.9	Very high	98.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-68.8	-43.8	176.1	-62.5	0	0	0	0	112.1	V199 Y200 E201 L206 I207	V199-S203 WeakPolarHBondContact O-CB 3.48Å; V199-S203 PolarHBondContact O-N 2.98Å; V199-S203 PolarHBondContact O-OG 3.48Å; Y200-S203 PolarHBondContact O-N 3.38Å; E201-S203 VanDerWaalsContact C-N 3.29Å; E201-S203 PolarHBondContact O-N 2.93Å; S203-L206 PolarHBondContact O-N 3.05Å; S203-I207 VanDerWaalsContact O-CG1 3.26Å; S203-I207 WeakPolarHBondContact O-CG1 3.45Å; S203-I207 PolarHBondContact O-N 3.45Å
204	M	98.9	Very high	98.8	Very high	1 Å²	1	16 Å²	16	1%	0.005	7%	0.074	C	C	.	.	H	α-helix	trans	-60.9	-45.6	175.1	-70.6	-66.8	-68.5	0	0	111	L34 F121 E141 F142 Y200 E201 A208	L34-M204 HydrophobicContact CD2-SD 4.48Å; F121-M204 HydrophobicContact CE1-SD 3.55Å; F121-M204 VanDerWaalsContact CE1-SD 3.55Å; F121-M204 HydrophobicContact CZ-SD 4.19Å; E141-M204 HydrophobicContact CB-CE 4.03Å; F142-M204 HydrophobicContact CD1-CE 3.96Å; F142-M204 HydrophobicContact CE1-CE 3.56Å; F142-M204 HydrophobicContact CE1-SD 3.74Å; F142-M204 HydrophobicContact CZ-CE 4.44Å; F142-M204 HydrophobicContact CZ-SD 4.43Å; Y200-M204 HydrophobicContact CD1-CG 4.09Å; Y200-M204 HydrophobicContact CD2-CG 4.48Å; Y200-M204 HydrophobicContact CE1-CG 3.66Å; Y200-M204 HydrophobicContact CE2-CG 4.12Å; Y200-M204 HydrophobicContact CE2-SD 4.23Å; Y200-M204 HydrophobicContact CG-CG 4.47Å; Y200-M204 VanDerWaalsContact O-CG 3.29Å; Y200-M204 WeakPolarHBondContact O-CG 3.35Å; Y200-M204 PolarHBondContact O-N 2.9Å; E201-M204 PolarHBondContact O-N 2.93Å; M204-A208 VanDerWaalsContact O-CB 3.3Å; M204-A208 WeakPolarHBondContact O-CB 3.27Å; M204-A208 PolarHBondContact O-N 3.24Å
205	D	98.9	Very high	98.8	Very high	14 Å²	14	13.1 Å²	13.1	8%	0.075	6%	0.059	C	C	.	.	H	α-helix	trans	-64.2	-42.2	178.5	-66.7	-9.9	0	0	0	111.4	R145 K181 E201 A208 K209 Y287	R145-D205 WeakPolarHBondContact CD-OD1 3.49Å; R145-D205 IonicContact CZ-OD1 3.83Å; R145-D205 IonicContact NE-OD1 3.54Å; R145-D205 IonicContact NH1-OD1 2.77Å; R145-D205 PolarHBondContact NH1-OD1 3.18Å; K181-D205 VanDerWaalsContact CE-OD2 3.31Å; K181-D205 WeakPolarHBondContact CE-OD2 3.49Å; K181-D205 IonicContact NZ-OD1 3.66Å; K181-D205 PolarHBondContact NZ-OD1 2.93Å; K181-D205 IonicContact NZ-OD2 3.58Å; K181-D205 PolarHBondContact NZ-OD2 3.26Å; E201-D205 WeakPolarHBondContact O-CB 3.25Å; E201-D205 PolarHBondContact O-N 2.89Å; D205-A208 PolarHBondContact O-N 3.17Å; D205-K209 WeakPolarHBondContact O-CB 3.44Å; D205-K209 WeakPolarHBondContact O-CD 3.42Å; D205-K209 WeakPolarHBondContact O-CG 3.48Å; D205-K209 PolarHBondContact O-N 2.91Å; D205-K209 VanDerWaalsContact O-N 3.1Å; D205-Y287 VanDerWaalsContact CB-OH 3.31Å; D205-Y287 WeakPolarHBondContact CB-OH 3.44Å
206	L	98.9	Very high	98.8	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-64.8	-48.9	177.6	177.3	55.3	0	0	0	111.8	D202 S203 A208 K209 L210 Y287 F290 L434	D202-L206 VanDerWaalsContact O-CB 3.27Å; D202-L206 WeakPolarHBondContact O-CB 3.45Å; D202-L206 PolarHBondContact O-N 2.94Å; S203-L206 PolarHBondContact O-N 3.05Å; L206-A208 VanDerWaalsContact C-N 3.27Å; L206-A208 PolarHBondContact O-N 3.24Å; L206-K209 PolarHBondContact O-N 3.04Å; L206-K209 VanDerWaalsContact O-N 3.12Å; L206-L210 HydrophobicContact CD1-CD1 4.46Å; L206-L210 HydrophobicContact CD1-CD2 4.22Å; L206-L210 HydrophobicContact CD1-CG 4.03Å; L206-L210 HydrophobicContact CG-CD1 4.32Å; L206-L210 HydrophobicContact CG-CG 4.37Å; L206-L210 VanDerWaalsContact O-CG 3.31Å; L206-L210 WeakPolarHBondContact O-CG 3.42Å; L206-L210 PolarHBondContact O-N 3.11Å; L206-Y287 HydrophobicContact CB-CD1 4.2Å; L206-Y287 HydrophobicContact CB-CE1 3.87Å; L206-Y287 HydrophobicContact CD1-CD1 3.84Å; L206-Y287 HydrophobicContact CD1-CE1 4.02Å; L206-Y287 HydrophobicContact CD2-CD1 4.27Å; L206-Y287 HydrophobicContact CG-CD1 4.33Å; L206-Y287 HydrophobicContact CG-CE1 4.41Å; L206-F290 HydrophobicContact CD2-CB 3.63Å; L206-F290 HydrophobicContact CD2-CD1 4Å; L206-F290 HydrophobicContact CD2-CG 3.89Å; L206-L434 HydrophobicContact CB-CD1 4.36Å; L206-L434 HydrophobicContact CD2-CD1 3.85Å; L206-L434 HydrophobicContact CD2-CD2 4.35Å; L206-L434 HydrophobicContact CG-CD1 4.14Å
207	I	98.9	Very high	98.8	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-58.1	-42.3	178.5	-67.7	165.2	0	0	0	110.9	F121 F142 S203 K209 L210 P211 W237 A430 L431 L434	F121-I207 HydrophobicContact CD2-CD1 3.94Å; F121-I207 HydrophobicContact CE1-CD1 4.24Å; F121-I207 HydrophobicContact CE2-CD1 3.33Å; F121-I207 HydrophobicContact CZ-CD1 3.5Å; F121-I207 VanDerWaalsContact CZ-CD1 3.5Å; F142-I207 HydrophobicContact CD1-CG2 4.33Å; F142-I207 HydrophobicContact CD2-CG2 4.33Å; F142-I207 HydrophobicContact CE1-CB 4.05Å; F142-I207 HydrophobicContact CE1-CG2 3.76Å; F142-I207 HydrophobicContact CE2-CG2 3.76Å; F142-I207 HydrophobicContact CZ-CB 4.17Å; F142-I207 HydrophobicContact CZ-CG2 3.45Å; F142-I207 VanDerWaalsContact CZ-CG2 3.45Å; S203-I207 VanDerWaalsContact O-CG1 3.26Å; S203-I207 WeakPolarHBondContact O-CG1 3.45Å; S203-I207 PolarHBondContact O-N 3.45Å; I207-K209 VanDerWaalsContact C-N 3.35Å; I207-K209 PolarHBondContact O-N 3.04Å; I207-L210 PolarHBondContact O-N 3.42Å; I207-P211 VanDerWaalsContact O-CD 3.3Å; I207-P211 WeakPolarHBondContact O-CD 3.22Å; I207-W237 HydrophobicContact CG2-CZ2 3.87Å; I207-W237 WeakPolarHBondContact O-CZ2 3.45Å; I207-W237 PolarHBondContact O-NE1 3.18Å; I207-A430 HydrophobicContact CG1-CB 4.46Å; I207-L431 HydrophobicContact CD1-CD2 4.21Å; I207-L431 HydrophobicContact CG1-CD2 4.44Å; I207-L431 HydrophobicContact CG2-CD2 3.69Å; I207-L434 HydrophobicContact CD1-CB 4.32Å; I207-L434 HydrophobicContact CD1-CD1 4.03Å; I207-L434 HydrophobicContact CG1-CD1 3.62Å
208	A	98.8	Very high	98.8	Very high	2 Å²	2	8.6 Å²	8.6	2%	0.017	4%	0.039	C	C	.	.	H	α-helix	trans	-59.9	-41.9	176.4	0	0	0	0	0	113.1	F142 R145 A146 M204 D205 L206	F142-A208 HydrophobicContact CB-CB 4.29Å; F142-A208 HydrophobicContact CD1-CB 4.27Å; F142-A208 VanDerWaalsContact O-CB 3.24Å; F142-A208 WeakPolarHBondContact O-CB 3.41Å; R145-A208 HydrophobicContact CB-CB 3.5Å; R145-A208 VanDerWaalsContact CB-CB 3.5Å; A146-A208 WeakPolarHBondContact CB-O 3.48Å; M204-A208 VanDerWaalsContact O-CB 3.3Å; M204-A208 WeakPolarHBondContact O-CB 3.27Å; M204-A208 PolarHBondContact O-N 3.24Å; D205-A208 PolarHBondContact O-N 3.17Å; L206-A208 VanDerWaalsContact C-N 3.27Å; L206-A208 PolarHBondContact O-N 3.24Å
209	K	98.8	Very high	98.8	Very high	12 Å²	12	6.3 Å²	6.3	5%	0.052	3%	0.03	C	C	.	.	H	α-helix	trans	-79.6	-22.8	-176.1	-71.4	171.1	-169.8	178.3	0	114	R145 D147 L148 L176 D205 L206 I207 T212 V213	R145-K209 WeakPolarHBondContact O-CE 3.23Å; R145-K209 WeakPolarHBondContact O-CG 3.35Å; D147-K209 VanDerWaalsContact O-CE 3.22Å; D147-K209 WeakPolarHBondContact O-CE 3.38Å; L148-K209 HydrophobicContact CD2-CB 3.7Å; L148-K209 HydrophobicContact CD2-CD 4.13Å; L148-K209 HydrophobicContact CD2-CG 3.83Å; L176-K209 HydrophobicContact CD1-CB 4.46Å; L176-K209 HydrophobicContact CD2-CD 4.02Å; D205-K209 WeakPolarHBondContact O-CB 3.44Å; D205-K209 WeakPolarHBondContact O-CD 3.42Å; D205-K209 WeakPolarHBondContact O-CG 3.48Å; D205-K209 PolarHBondContact O-N 2.91Å; D205-K209 VanDerWaalsContact O-N 3.1Å; L206-K209 PolarHBondContact O-N 3.04Å; L206-K209 VanDerWaalsContact O-N 3.12Å; I207-K209 VanDerWaalsContact C-N 3.35Å; I207-K209 PolarHBondContact O-N 3.04Å; K209-T212 WeakPolarHBondContact O-CB 3.49Å; K209-T212 PolarHBondContact O-N 3.05Å; K209-V213 PolarHBondContact O-N 3.28Å
210	L	98.9	Very high	98.8	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-59.1	-46	-173.4	-85.1	171.7	0	0	0	114.2	L169 L206 I207 T212 V213 A214 F290 V427 A430	L169-L210 HydrophobicContact CD1-CD2 4.06Å; L206-L210 HydrophobicContact CD1-CD1 4.46Å; L206-L210 HydrophobicContact CD1-CD2 4.22Å; L206-L210 HydrophobicContact CD1-CG 4.03Å; L206-L210 HydrophobicContact CG-CD1 4.32Å; L206-L210 HydrophobicContact CG-CG 4.37Å; L206-L210 VanDerWaalsContact O-CG 3.31Å; L206-L210 WeakPolarHBondContact O-CG 3.42Å; L206-L210 PolarHBondContact O-N 3.11Å; I207-L210 PolarHBondContact O-N 3.42Å; L210-T212 VanDerWaalsContact C-N 3.31Å; L210-T212 PolarHBondContact O-N 2.77Å; L210-V213 PolarHBondContact O-N 2.94Å; L210-A214 VanDerWaalsContact O-CB 3.22Å; L210-A214 WeakPolarHBondContact O-CB 3.39Å; L210-A214 PolarHBondContact O-N 3.25Å; L210-F290 HydrophobicContact CD1-CE1 3.9Å; L210-F290 HydrophobicContact CD1-CZ 3.92Å; L210-F290 HydrophobicContact CD2-CD1 4.41Å; L210-F290 HydrophobicContact CD2-CE1 3.64Å; L210-F290 HydrophobicContact CD2-CZ 4.3Å; L210-F290 HydrophobicContact CG-CE1 4.4Å; L210-V427 HydrophobicContact CB-CG2 4.46Å; L210-A430 HydrophobicContact CD1-CB 3.3Å
211	P	98.7	Very high	98.7	Very high	3 Å²	3	9.3 Å²	9.3	2%	0.019	5%	0.047	C	C	.	.	H	α-helix	trans	-56.1	-43.2	174.1	-31.3	39.1	0	0	0	113.4	I207 A214 S215 W237 F241 M244	I207-P211 VanDerWaalsContact O-CD 3.3Å; I207-P211 WeakPolarHBondContact O-CD 3.22Å; P211-A214 PolarHBondContact O-N 3.14Å; P211-S215 VanDerWaalsContact O-CB 3.28Å; P211-S215 WeakPolarHBondContact O-CB 3.42Å; P211-S215 PolarHBondContact O-N 3.27Å; P211-S215 PolarHBondContact O-OG 3.34Å; P211-W237 HydrophobicContact CG-CD2 4.21Å; P211-W237 HydrophobicContact CG-CG 4.47Å; P211-W237 HydrophobicContact CG-CZ2 3.66Å; P211-F241 HydrophobicContact CB-CB 3.82Å; P211-F241 HydrophobicContact CB-CD2 3.57Å; P211-F241 HydrophobicContact CB-CE2 4.28Å; P211-F241 HydrophobicContact CB-CG 3.78Å; P211-F241 HydrophobicContact CG-CB 4.31Å; P211-F241 HydrophobicContact CG-CG 4.35Å; P211-F241 WeakPolarHBondContact O-CE2 3.43Å; P211-M244 HydrophobicContact CB-CE 3.49Å; P211-M244 VanDerWaalsContact CB-CE 3.49Å
212	T	98.6	Very high	98.7	Very high	14 Å²	14	10.7 Å²	10.7	9%	0.086	5%	0.051	C	C	.	.	H	α-helix	trans	-62.8	-49.2	179.1	-47.8	0	0	0	0	110.7	A146 L148 K209 L210 A214 S215 I216 V228 M244	A146-T212 PolarHBondContact O-OG1 2.66Å; L148-T212 HydrophobicContact CD1-CG2 3.62Å; L148-T212 HydrophobicContact CG-CG2 3.98Å; K209-T212 WeakPolarHBondContact O-CB 3.49Å; K209-T212 PolarHBondContact O-N 3.05Å; L210-T212 VanDerWaalsContact C-N 3.31Å; L210-T212 PolarHBondContact O-N 2.77Å; T212-A214 PolarHBondContact O-N 3.18Å; T212-S215 PolarHBondContact O-N 2.95Å; T212-I216 HydrophobicContact CG2-CD1 4.11Å; T212-I216 VanDerWaalsContact O-CG1 3.27Å; T212-I216 WeakPolarHBondContact O-CG1 3.48Å; T212-I216 PolarHBondContact O-N 3.5Å; T212-V228 HydrophobicContact CG2-CG2 4.47Å; T212-M244 HydrophobicContact CG2-SD 4.27Å
213	V	98.8	Very high	98.6	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-57.9	-50.4	176.5	171.1	0	0	0	0	110.9	L148 L156 L169 A172 L176 K209 L210 S215 I216 I217	L148-V213 HydrophobicContact CD1-CG2 3.81Å; L148-V213 HydrophobicContact CD2-CG2 3.76Å; L148-V213 HydrophobicContact CG-CG2 4.48Å; L156-V213 HydrophobicContact CD1-CG1 4.3Å; L156-V213 HydrophobicContact CD1-CG2 4.5Å; L156-V213 HydrophobicContact CD2-CG1 4.42Å; L169-V213 HydrophobicContact CD1-CG1 3.92Å; A172-V213 HydrophobicContact CB-CG1 3.56Å; L176-V213 HydrophobicContact CD1-CG2 4.03Å; K209-V213 PolarHBondContact O-N 3.28Å; L210-V213 PolarHBondContact O-N 2.94Å; V213-S215 PolarHBondContact O-N 3.38Å; V213-I216 PolarHBondContact O-N 2.91Å; V213-I217 HydrophobicContact CG1-CD1 3.97Å; V213-I217 WeakPolarHBondContact O-CG1 3.45Å; V213-I217 PolarHBondContact O-N 3.14Å; V213-I217 VanDerWaalsContact O-N 3.08Å
214	A	98.9	Very high	98.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-61.5	-45.8	-178.5	0	0	0	0	0	111.3	L210 P211 T212 I216 I217 Y218 F241 Y420 V423 V427	L210-A214 VanDerWaalsContact O-CB 3.22Å; L210-A214 WeakPolarHBondContact O-CB 3.39Å; L210-A214 PolarHBondContact O-N 3.25Å; P211-A214 PolarHBondContact O-N 3.14Å; T212-A214 PolarHBondContact O-N 3.18Å; A214-I216 PolarHBondContact O-N 2.97Å; A214-I217 WeakPolarHBondContact O-CB 3.26Å; A214-I217 PolarHBondContact O-N 3.13Å; A214-Y218 PolarHBondContact O-N 2.79Å; A214-F241 HydrophobicContact CB-CE2 3.76Å; A214-F241 HydrophobicContact CB-CZ 3.83Å; A214-Y420 WeakPolarHBondContact CB-OH 3.38Å; A214-Y420 PolarHBondContact O-OH 2.77Å; A214-V423 HydrophobicContact CB-CG1 3.71Å; A214-V427 HydrophobicContact CB-CG2 3.78Å
215	S	98.8	Very high	98.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-64.6	-36.7	177.9	-67.6	0	0	0	0	113.6	P211 T212 V213 Y218 R219 F241 M244 L245	P211-S215 VanDerWaalsContact O-CB 3.28Å; P211-S215 WeakPolarHBondContact O-CB 3.42Å; P211-S215 PolarHBondContact O-N 3.27Å; P211-S215 PolarHBondContact O-OG 3.34Å; T212-S215 PolarHBondContact O-N 2.95Å; V213-S215 PolarHBondContact O-N 3.38Å; S215-Y218 PolarHBondContact O-N 3.22Å; S215-R219 WeakPolarHBondContact O-CB 3.41Å; S215-R219 WeakPolarHBondContact O-CG 3.46Å; S215-R219 PolarHBondContact O-N 2.72Å; S215-F241 VanDerWaalsContact OG-CD2 3.31Å; S215-F241 WeakPolarHBondContact OG-CD2 3.42Å; S215-F241 WeakPolarHBondContact OG-CE2 3.49Å; S215-M244 WeakPolarHBondContact OG-CB 3.37Å; S215-L245 PolarHBondContact OG-N 3.31Å
216	I	98.6	Very high	98.1	Very high	12 Å²	12	26.7 Å²	26.7	6%	0.062	14%	0.142	C	C	.	.	H	α-helix	trans	-62.7	-47.2	173.2	-67.8	165.6	0	0	0	110	L148 L153 L156 T212 V213 A214 Y218 R219 N220 V228	L148-I216 HydrophobicContact CD1-CD1 3.78Å; L153-I216 HydrophobicContact CD2-CD1 3.45Å; L153-I216 VanDerWaalsContact CD2-CD1 3.45Å; L156-I216 HydrophobicContact CB-CG2 3.74Å; L156-I216 HydrophobicContact CD1-CB 4.22Å; L156-I216 HydrophobicContact CD1-CD1 4.12Å; L156-I216 HydrophobicContact CD1-CG2 4.02Å; L156-I216 HydrophobicContact CG-CG2 4.39Å; T212-I216 HydrophobicContact CG2-CD1 4.11Å; T212-I216 VanDerWaalsContact O-CG1 3.27Å; T212-I216 WeakPolarHBondContact O-CG1 3.48Å; T212-I216 PolarHBondContact O-N 3.5Å; V213-I216 PolarHBondContact O-N 2.91Å; A214-I216 PolarHBondContact O-N 2.97Å; I216-Y218 VanDerWaalsContact C-N 3.31Å; I216-Y218 PolarHBondContact O-N 3.29Å; I216-R219 PolarHBondContact O-N 2.66Å; I216-N220 WeakPolarHBondContact CG2-ND2 3.24Å; I216-N220 VanDerWaalsContact O-CB 3.31Å; I216-N220 WeakPolarHBondContact O-CB 3.41Å; I216-N220 PolarHBondContact O-N 3.26Å; I216-N220 PolarHBondContact O-OD1 3Å; I216-V228 HydrophobicContact CG1-CG1 3.76Å; I216-V228 HydrophobicContact CG1-CG2 4.26Å
217	I	98.8	Very high	97.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-55.7	-47.9	175.6	-65.7	165.7	0	0	0	110.6	L156 P165 Q168 L169 V213 A214 R219 L221 Y420	L156-I217 HydrophobicContact CD2-CD1 4.07Å; L156-I217 HydrophobicContact CD2-CG1 3.58Å; P165-I217 HydrophobicContact CB-CG2 3.79Å; Q168-I217 HydrophobicContact CB-CD1 3.85Å; Q168-I217 HydrophobicContact CB-CG1 3.9Å; Q168-I217 HydrophobicContact CB-CG2 4.26Å; L169-I217 HydrophobicContact CB-CD1 3.93Å; L169-I217 HydrophobicContact CD1-CD1 4.4Å; V213-I217 HydrophobicContact CG1-CD1 3.97Å; V213-I217 WeakPolarHBondContact O-CG1 3.45Å; V213-I217 PolarHBondContact O-N 3.14Å; V213-I217 VanDerWaalsContact O-N 3.08Å; A214-I217 WeakPolarHBondContact O-CB 3.26Å; A214-I217 PolarHBondContact O-N 3.13Å; I217-R219 PolarHBondContact O-N 3.35Å; I217-L221 HydrophobicContact CG2-CD1 3.86Å; I217-L221 WeakPolarHBondContact O-CB 3.42Å; I217-L221 WeakPolarHBondContact O-CG 3.29Å; I217-L221 PolarHBondContact O-N 2.87Å; I217-Y420 HydrophobicContact CB-CE2 4.48Å; I217-Y420 HydrophobicContact CG2-CE2 4.21Å
218	Y	98.8	Very high	97.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-59.7	-47.3	179.3	-172	-104.7	0	0	0	112.2	A214 S215 I216 L221 Y222 R223 L245 Y247 L415 E417 Y420	A214-Y218 PolarHBondContact O-N 2.79Å; S215-Y218 PolarHBondContact O-N 3.22Å; I216-Y218 VanDerWaalsContact C-N 3.31Å; I216-Y218 PolarHBondContact O-N 3.29Å; Y218-L221 PolarHBondContact O-N 3.38Å; Y218-Y222 AromaticContact CD2-CD2 3.47Å; Y218-Y222 HydrophobicContact CD2-CD2 3.47Å; Y218-Y222 VanDerWaalsContact CD2-CD2 3.47Å; Y218-Y222 AromaticContact CD2-CE2 3.95Å; Y218-Y222 HydrophobicContact CD2-CE2 3.95Å; Y218-Y222 AromaticContact CE2-CD2 3.65Å; Y218-Y222 HydrophobicContact CE2-CD2 3.65Å; Y218-Y222 HydrophobicContact CE2-CE2 4.27Å; Y218-Y222 HydrophobicContact CE2-CG 4.49Å; Y218-Y222 HydrophobicContact CG-CD2 4.1Å; Y218-Y222 WeakPolarHBondContact O-CB 3.34Å; Y218-Y222 VanDerWaalsContact O-CD2 3.27Å; Y218-Y222 WeakPolarHBondContact O-CD2 3.37Å; Y218-Y222 PolarHBondContact O-N 3.45Å; Y218-R223 HydrophobicContact CD1-CG 4.49Å; Y218-R223 HydrophobicContact CE1-CG 4.25Å; Y218-R223 PolarHBondContact OH-NH2 2.86Å; Y218-L245 HydrophobicContact CD1-CD2 3.74Å; Y218-L245 HydrophobicContact CD2-CD2 4.36Å; Y218-L245 HydrophobicContact CE1-CD2 4.48Å; Y218-L245 HydrophobicContact CG-CD2 3.66Å; Y218-Y247 HydrophobicContact CE1-CE2 4.03Å; Y218-Y247 PolarHBondContact OH-OH 2.89Å; Y218-L415 HydrophobicContact CE2-CD2 4.26Å; Y218-L415 HydrophobicContact CE2-CG 4.17Å; Y218-E417 WeakPolarHBondContact CE2-OE2 3.27Å; Y218-E417 VanDerWaalsContact OH-CD 3.23Å; Y218-E417 PolarHBondContact OH-OE1 3.09Å; Y218-E417 PolarHBondContact OH-OE2 2.91Å; Y218-Y420 AromaticContact CD2-CD1 3.49Å; Y218-Y420 HydrophobicContact CD2-CD1 3.49Å; Y218-Y420 VanDerWaalsContact CD2-CD1 3.49Å; Y218-Y420 AromaticContact CD2-CD2 3.87Å; Y218-Y420 HydrophobicContact CD2-CD2 3.87Å; Y218-Y420 AromaticContact CD2-CE1 3.59Å; Y218-Y420 HydrophobicContact CD2-CE1 3.59Å; Y218-Y420 AromaticContact CD2-CE2 3.98Å; Y218-Y420 HydrophobicContact CD2-CE2 3.98Å; Y218-Y420 AromaticContact CD2-CG 3.63Å; Y218-Y420 HydrophobicContact CD2-CG 3.63Å; Y218-Y420 AromaticContact CD2-CZ 3.86Å; Y218-Y420 AromaticContact CE2-CD1 3.97Å; Y218-Y420 HydrophobicContact CE2-CD1 3.97Å; Y218-Y420 HydrophobicContact CE2-CE1 4.35Å; Y218-Y420 HydrophobicContact CE2-CG 4.24Å; Y218-Y420 HydrophobicContact CG-CD1 4.48Å; Y218-Y420 HydrophobicContact CG-CE1 4.18Å; Y218-Y420 HydrophobicContact CG-CE2 4.32Å
219	R	98.4	Very high	97.4	Very high	29 Å²	29	36.3 Å²	36.3	11%	0.109	21%	0.205	C	C	.	.	H	α-helix	trans	-70.9	-39.1	-177.8	-71	-167	177.6	-130.5	9	112.6	S215 I216 I217 L221 R223 D224 G225 T226 S227 R243 M244	S215-R219 WeakPolarHBondContact O-CB 3.41Å; S215-R219 WeakPolarHBondContact O-CG 3.46Å; S215-R219 PolarHBondContact O-N 2.72Å; I216-R219 PolarHBondContact O-N 2.66Å; I217-R219 PolarHBondContact O-N 3.35Å; R219-L221 VanDerWaalsContact C-N 3.3Å; R219-L221 PolarHBondContact O-N 3.38Å; R219-R223 HydrophobicContact CB-CB 4.28Å; R219-R223 HydrophobicContact CG-CB 4.28Å; R219-R223 CarbonylContact O-C 3.54Å; R219-R223 WeakPolarHBondContact O-CA 3.38Å; R219-R223 PolarHBondContact O-N 3.09Å; R219-D224 PolarHBondContact O-N 3.38Å; R219-G225 PolarHBondContact O-N 3.22Å; R219-T226 WeakPolarHBondContact CB-O 2.96Å; R219-T226 WeakPolarHBondContact CD-O 3.26Å; R219-T226 PolarHBondContact NH1-OG1 3.48Å; R219-S227 PolarHBondContact NH1-O 3.45Å; R219-R243 PolarHBondContact NH2-O 3.34Å; R219-M244 PolarHBondContact NE-O 3.31Å; R219-M244 PolarHBondContact NH2-O 3.37Å; R219-M244 VanDerWaalsContact NH2-O 3.16Å
220	N	98.4	Very high	97.3	Very high	40 Å²	40	39.6 Å²	39.6	21%	0.214	24%	0.235	C	C	.	.	H	α-helix	trans	-62.6	-38.6	176.2	-70.3	-0	0	0	0	111.4	L156 D157 I216 G225	L156-N220 PolarHBondContact O-ND2 2.86Å; L156-N220 VanDerWaalsContact O-ND2 3.17Å; D157-N220 WeakPolarHBondContact CA-ND2 3.18Å; D157-N220 PolarHBondContact OD1-ND2 3.2Å; I216-N220 WeakPolarHBondContact CG2-ND2 3.24Å; I216-N220 VanDerWaalsContact O-CB 3.31Å; I216-N220 WeakPolarHBondContact O-CB 3.41Å; I216-N220 PolarHBondContact O-N 3.26Å; I216-N220 PolarHBondContact O-OD1 3Å; N220-G225 WeakPolarHBondContact OD1-CA 3.29Å
221	L	98.3	Very high	97.2	Very high	36 Å²	36	42.1 Å²	42.1	19%	0.188	25%	0.247	C	C	.	.	H	α-helix	trans	-82.5	-35.6	-179.6	-71.1	175.5	0	0	0	114.3	P161 P165 I217 Y218 R219	P161-L221 WeakPolarHBondContact O-CD2 3.45Å; P165-L221 HydrophobicContact CB-CD1 3.77Å; P165-L221 HydrophobicContact CG-CD1 4.33Å; I217-L221 HydrophobicContact CG2-CD1 3.86Å; I217-L221 WeakPolarHBondContact O-CB 3.42Å; I217-L221 WeakPolarHBondContact O-CG 3.29Å; I217-L221 PolarHBondContact O-N 2.87Å; Y218-L221 PolarHBondContact O-N 3.38Å; R219-L221 VanDerWaalsContact C-N 3.3Å; R219-L221 PolarHBondContact O-N 3.38Å
222	Y	97.9	Very high	97.1	Very high	61 Å²	61	44.2 Å²	44.2	24%	0.239	26%	0.258	C	S	.	.	H	α-helix	trans	-130.5	-2.9	-164.1	-45.9	-60.6	0	0	0	114.9	Y218 E417 Y420	Y218-Y222 AromaticContact CD2-CD2 3.47Å; Y218-Y222 HydrophobicContact CD2-CD2 3.47Å; Y218-Y222 VanDerWaalsContact CD2-CD2 3.47Å; Y218-Y222 AromaticContact CD2-CE2 3.95Å; Y218-Y222 HydrophobicContact CD2-CE2 3.95Å; Y218-Y222 AromaticContact CE2-CD2 3.65Å; Y218-Y222 HydrophobicContact CE2-CD2 3.65Å; Y218-Y222 HydrophobicContact CE2-CE2 4.27Å; Y218-Y222 HydrophobicContact CE2-CG 4.49Å; Y218-Y222 HydrophobicContact CG-CD2 4.1Å; Y218-Y222 WeakPolarHBondContact O-CB 3.34Å; Y218-Y222 VanDerWaalsContact O-CD2 3.27Å; Y218-Y222 WeakPolarHBondContact O-CD2 3.37Å; Y218-Y222 PolarHBondContact O-N 3.45Å; Y222-E417 HydrophobicContact CD1-CB 4.21Å; Y222-E417 HydrophobicContact CD1-CG 3.73Å; Y222-E417 HydrophobicContact CD2-CB 4.12Å; Y222-E417 HydrophobicContact CD2-CG 4.02Å; Y222-E417 HydrophobicContact CE1-CB 4.06Å; Y222-E417 HydrophobicContact CE1-CG 4.07Å; Y222-E417 HydrophobicContact CE2-CB 3.98Å; Y222-E417 HydrophobicContact CE2-CG 4.35Å; Y222-E417 HydrophobicContact CG-CB 4.24Å; Y222-E417 HydrophobicContact CG-CG 3.69Å; Y222-Y420 HydrophobicContact CE2-CD2 4.1Å; Y222-Y420 HydrophobicContact CE2-CG 4.19Å
223	R	97.3	Very high	97	Very high	81 Å²	81	47 Å²	47	31%	0.306	28%	0.278	S	S	.	.	S	Bend	trans	-139.7	41.8	-178.8	-54.8	-69.4	-178.3	-84.7	1.5	111.5	Y218 R219 G225 T226 Y247 E417	Y218-R223 HydrophobicContact CD1-CG 4.49Å; Y218-R223 HydrophobicContact CE1-CG 4.25Å; Y218-R223 PolarHBondContact OH-NH2 2.86Å; R219-R223 HydrophobicContact CB-CB 4.28Å; R219-R223 HydrophobicContact CG-CB 4.28Å; R219-R223 CarbonylContact O-C 3.54Å; R219-R223 WeakPolarHBondContact O-CA 3.38Å; R219-R223 PolarHBondContact O-N 3.09Å; R223-G225 PolarHBondContact O-N 3.35Å; R223-T226 WeakPolarHBondContact O-CB 3.43Å; R223-T226 VanDerWaalsContact O-CG2 3.24Å; R223-T226 WeakPolarHBondContact O-CG2 3.48Å; R223-T226 PolarHBondContact O-N 3.4Å; R223-T226 PolarHBondContact O-OG1 3.05Å; R223-Y247 PolarHBondContact NH2-OH 3.14Å; R223-E417 IonicContact CZ-OE1 2.78Å; R223-E417 IonicContact NH1-OE1 3.48Å; R223-E417 PolarHBondContact NH1-OE1 3.43Å; R223-E417 IonicContact NH2-OE1 3.74Å; R223-E417 PolarHBondContact NH2-OE1 3.35Å
224	D	94.9	Very high	96.8	Very high	166 Å²	166	53.8 Å²	53.8	89%	0.888	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	30	172.8	-55.2	-40.1	0	0	0	115.4	R219 T226	R219-D224 PolarHBondContact O-N 3.38Å; D224-T226 PolarHBondContact O-N 3.37Å
225	G	94.4	Very high	96.8	Very high	38 Å²	38	55.8 Å²	55.8	39%	0.392	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.7	24.5	-178.3	0	0	0	0	0	114	R219 N220 R223	R219-G225 PolarHBondContact O-N 3.22Å; N220-G225 WeakPolarHBondContact OD1-CA 3.29Å; R223-G225 PolarHBondContact O-N 3.35Å
226	T	95.3	Very high	96.8	Very high	66 Å²	66	56.5 Å²	56.5	41%	0.405	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-58.3	144.2	174.7	51.1	0	0	0	0	111.2	R219 R223 D224	R219-T226 WeakPolarHBondContact CB-O 2.96Å; R219-T226 WeakPolarHBondContact CD-O 3.26Å; R219-T226 PolarHBondContact NH1-OG1 3.48Å; R223-T226 WeakPolarHBondContact O-CB 3.43Å; R223-T226 VanDerWaalsContact O-CG2 3.24Å; R223-T226 WeakPolarHBondContact O-CG2 3.48Å; R223-T226 PolarHBondContact O-N 3.4Å; R223-T226 PolarHBondContact O-OG1 3.05Å; D224-T226 PolarHBondContact O-N 3.37Å
227	S	93.7	Very high	96.8	Very high	106 Å²	106	56.4 Å²	56.4	74%	0.741	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-65.3	143.4	-178.7	-51.8	0	0	0	0	112.1	R219	R219-S227 PolarHBondContact NH1-O 3.45Å
228	V	95.4	Very high	96.8	Very high	43 Å²	43	56.4 Å²	56.4	26%	0.261	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-69.3	146.2	170.2	-64.1	0	0	0	0	110.8	T212 I216 M244	T212-V228 HydrophobicContact CG2-CG2 4.47Å; I216-V228 HydrophobicContact CG1-CG1 3.76Å; I216-V228 HydrophobicContact CG1-CG2 4.26Å; V228-M244 HydrophobicContact CB-CB 4.25Å; V228-M244 HydrophobicContact CB-CG 4.2Å; V228-M244 HydrophobicContact CB-SD 4.46Å; V228-M244 HydrophobicContact CG1-CB 4.44Å
229	T	94.3	Very high	96.8	Very high	55 Å²	55	59 Å²	59	34%	0.337	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-66.5	145.7	173.6	-53	0	0	0	0	110.6	M244	T229-M244 WeakPolarHBondContact O-CG 3.22Å
230	A	95.8	Very high	96.8	Very high	82 Å²	82	57.9 Å²	57.9	68%	0.678	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-62.5	144.6	174.5	0	0	0	0	0	111.6	D232	A230-D232 PolarHBondContact O-N 2.97Å
231	I	97.2	Very high	96.8	Very high	53 Å²	53	56 Å²	56	27%	0.272	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-61.1	132.5	174.4	-65	-67.9	0	0	0	110.1	A143 A146 N240 M244	A143-I231 HydrophobicContact CB-CG2 3.68Å; A146-I231 HydrophobicContact CB-CD1 4.2Å; A146-I231 HydrophobicContact CB-CG1 3.95Å; I231-N240 HydrophobicContact CD1-CB 3.95Å; I231-M244 HydrophobicContact CD1-CE 3.6Å; I231-M244 HydrophobicContact CD1-SD 3.72Å
232	D	96.7	Very high	96.8	Very high	46 Å²	46	54.3 Å²	54.3	25%	0.246	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-101.6	116.1	170	-173.5	-19.7	0	0	0	109.5	A230 N234 M235 N240 R243	A230-D232 PolarHBondContact O-N 2.97Å; D232-N234 PolarHBondContact O-N 3.25Å; D232-N234 VanDerWaalsContact O-N 3.14Å; D232-N234 WeakPolarHBondContact OD1-CB 3.4Å; D232-N234 PolarHBondContact OD1-N 3.46Å; D232-N234 PolarHBondContact OD1-ND2 3.39Å; D232-N234 VanDerWaalsContact OD1-ND2 3.07Å; D232-M235 HydrophobicContact CB-CB 4.27Å; D232-M235 HydrophobicContact CB-CG 3.92Å; D232-M235 HydrophobicContact CB-SD 3.97Å; D232-M235 PolarHBondContact O-N 3.28Å; D232-N240 PolarHBondContact N-OD1 2.62Å; D232-N240 PolarHBondContact O-ND2 3.46Å; D232-R243 VanDerWaalsContact CB-NH1 3.31Å; D232-R243 IonicContact OD2-NH1 3.58Å
233	S	96.2	Very high	96.8	Very high	72 Å²	72	54.2 Å²	54.2	50%	0.503	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-7.3	-178.5	59.2	0	0	0	0	114.5
234	N	95.8	Very high	96.9	Very high	144 Å²	144	50.5 Å²	50.5	77%	0.77	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-3.6	173.5	-53.2	-71.9	0	0	0	113	D232	D232-N234 PolarHBondContact O-N 3.25Å; D232-N234 VanDerWaalsContact O-N 3.14Å; D232-N234 WeakPolarHBondContact OD1-CB 3.4Å; D232-N234 PolarHBondContact OD1-N 3.46Å; D232-N234 PolarHBondContact OD1-ND2 3.39Å; D232-N234 VanDerWaalsContact OD1-ND2 3.07Å
235	M	97.2	Very high	97	Very high	41 Å²	41	42.7 Å²	42.7	20%	0.202	26%	0.26	C	S	.	.	S	Bend	trans	-104.6	148.2	179.4	-66	-173.9	179.2	0	0	111.3	D232 H239 N240 R243	D232-M235 HydrophobicContact CB-CB 4.27Å; D232-M235 HydrophobicContact CB-CG 3.92Å; D232-M235 HydrophobicContact CB-SD 3.97Å; D232-M235 PolarHBondContact O-N 3.28Å; M235-H239 HydrophobicContact CB-CB 4.24Å; M235-H239 VanDerWaalsContact SD-CE1 3.54Å; M235-N240 PolarHBondContact O-ND2 3.14Å; M235-N240 VanDerWaalsContact O-ND2 3.14Å; M235-R243 WeakPolarHBondContact SD-CD 3.43Å; M235-R243 PolarHBondContact SD-NH1 2.9Å
236	D	98.6	Very high	97.2	Very high	15 Å²	15	43.1 Å²	43.1	8%	0.08	26%	0.264	C	S	.	.			trans	-67.8	165.7	171.7	59.4	104	0	0	0	112	L116 E118 S238 H239 N240 R257	L116-D236 HydrophobicContact CD2-CB 3.85Å; E118-D236 WeakPolarHBondContact OE1-CA 3.3Å; E118-D236 WeakPolarHBondContact OE1-CB 3.48Å; D236-S238 PolarHBondContact O-N 3.03Å; D236-H239 PolarHBondContact O-N 3.25Å; D236-H239 PolarHBondContact OD1-N 2.82Å; D236-H239 VanDerWaalsContact OD1-N 3.13Å; D236-H239 WeakPolarHBondContact OD2-CB 3.39Å; D236-N240 PolarHBondContact O-N 3.12Å; D236-N240 PolarHBondContact O-ND2 2.88Å; D236-R257 IonicContact OD1-CZ 3.5Å; D236-R257 IonicContact OD1-NE 3.8Å; D236-R257 PolarHBondContact OD1-NE 2.94Å; D236-R257 IonicContact OD1-NH2 3.35Å; D236-R257 PolarHBondContact OD1-NH2 3.44Å; D236-R257 IonicContact OD2-CZ 2.77Å; D236-R257 IonicContact OD2-NE 3.86Å; D236-R257 IonicContact OD2-NH2 3.14Å; D236-R257 PolarHBondContact OD2-NH2 3.22Å
237	W	98.7	Very high	97.3	Very high	10 Å²	10	41.2 Å²	41.2	4%	0.038	25%	0.25	C	C	.	.	H	α-helix	trans	-58.3	-44.3	-175	-172.8	69	0	0	0	112.5	P117 E118 F142 I207 P211 F241 L260 V427 L431	P117-W237 HydrophobicContact CB-CE3 3.95Å; P117-W237 HydrophobicContact CB-CZ3 4.11Å; P117-W237 HydrophobicContact CG-CE3 4.28Å; E118-W237 HydrophobicContact CG-CB 4.3Å; E118-W237 WeakPolarHBondContact OE1-CB 2.99Å; E118-W237 PolarHBondContact OE1-N 3.46Å; F142-W237 HydrophobicContact CD2-CB 4.2Å; F142-W237 AromaticContact CD2-CD1 3.83Å; F142-W237 HydrophobicContact CD2-CG 4Å; I207-W237 HydrophobicContact CG2-CZ2 3.87Å; I207-W237 WeakPolarHBondContact O-CZ2 3.45Å; I207-W237 PolarHBondContact O-NE1 3.18Å; P211-W237 HydrophobicContact CG-CD2 4.21Å; P211-W237 HydrophobicContact CG-CG 4.47Å; P211-W237 HydrophobicContact CG-CZ2 3.66Å; W237-F241 WeakPolarHBondContact O-CB 3.46Å; W237-F241 PolarHBondContact O-N 2.61Å; W237-L260 HydrophobicContact CE3-CD1 3.97Å; W237-L260 HydrophobicContact CZ3-CB 4.25Å; W237-L260 HydrophobicContact CZ3-CD1 3.68Å; W237-L260 HydrophobicContact CZ3-CD2 4.3Å; W237-L260 HydrophobicContact CZ3-CG 4.3Å; W237-V427 HydrophobicContact CH2-CG1 3.43Å; W237-V427 VanDerWaalsContact CH2-CG1 3.43Å; W237-V427 HydrophobicContact CZ2-CG1 3.77Å; W237-V427 HydrophobicContact CZ3-CG1 4.34Å; W237-L431 HydrophobicContact CH2-CD2 4.22Å; W237-L431 HydrophobicContact CH2-CG 4.48Å; W237-L431 HydrophobicContact CZ3-CD1 4.16Å; W237-L431 HydrophobicContact CZ3-CD2 4.31Å; W237-L431 HydrophobicContact CZ3-CG 4.49Å
238	S	98.8	Very high	97.4	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-67.2	-41.6	178.4	-55.1	0	0	0	0	112.2	P117 D236 F241 C242 R257	P117-S238 WeakPolarHBondContact CD-OG 3.44Å; P117-S238 VanDerWaalsContact CG-OG 3.3Å; P117-S238 WeakPolarHBondContact CG-OG 3.2Å; D236-S238 PolarHBondContact O-N 3.03Å; S238-F241 WeakPolarHBondContact O-CB 3.27Å; S238-F241 PolarHBondContact O-N 3.26Å; S238-C242 PolarHBondContact O-N 3.02Å; S238-C242 PolarHBondContact O-SG 3.04Å; S238-R257 VanDerWaalsContact CB-CG 3.46Å
239	H	98.7	Very high	97.4	Very high	54 Å²	54	46.3 Å²	46.3	25%	0.25	26%	0.262	C	S	.	.	H	α-helix	trans	-64.8	-44.5	178.4	-169.4	175.2	0	0	0	111.8	M235 D236 F241 C242 R243 T253	M235-H239 HydrophobicContact CB-CB 4.24Å; M235-H239 VanDerWaalsContact SD-CE1 3.54Å; D236-H239 PolarHBondContact O-N 3.25Å; D236-H239 PolarHBondContact OD1-N 2.82Å; D236-H239 VanDerWaalsContact OD1-N 3.13Å; D236-H239 WeakPolarHBondContact OD2-CB 3.39Å; H239-F241 VanDerWaalsContact C-N 3.27Å; H239-F241 PolarHBondContact O-N 2.84Å; H239-C242 PolarHBondContact O-N 3.19Å; H239-R243 WeakPolarHBondContact O-CG 3.37Å; H239-R243 PolarHBondContact O-N 3.01Å; H239-T253 HydrophobicContact CB-CG2 3.83Å
240	N	98.6	Very high	97.6	Very high	7 Å²	7	48.4 Å²	48.4	4%	0.037	28%	0.276	C	S	.	.	H	α-helix	trans	-57.4	-42.3	171.4	-85.5	-56.7	0	0	0	111.4	I231 D232 M235 D236 R243 M244	I231-N240 HydrophobicContact CD1-CB 3.95Å; D232-N240 PolarHBondContact N-OD1 2.62Å; D232-N240 PolarHBondContact O-ND2 3.46Å; M235-N240 PolarHBondContact O-ND2 3.14Å; M235-N240 VanDerWaalsContact O-ND2 3.14Å; D236-N240 PolarHBondContact O-N 3.12Å; D236-N240 PolarHBondContact O-ND2 2.88Å; N240-R243 PolarHBondContact O-N 3.18Å; N240-M244 WeakPolarHBondContact O-CB 3.46Å; N240-M244 WeakPolarHBondContact O-CG 3.14Å; N240-M244 PolarHBondContact O-N 3.45Å
241	F	98.8	Very high	97.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62.1	-47.3	177.4	-170.8	-154.9	0	0	0	112.9	P211 A214 S215 W237 S238 H239 R243 M244 L245 M256 L260 L424 V427	P211-F241 HydrophobicContact CB-CB 3.82Å; P211-F241 HydrophobicContact CB-CD2 3.57Å; P211-F241 HydrophobicContact CB-CE2 4.28Å; P211-F241 HydrophobicContact CB-CG 3.78Å; P211-F241 HydrophobicContact CG-CB 4.31Å; P211-F241 HydrophobicContact CG-CG 4.35Å; P211-F241 WeakPolarHBondContact O-CE2 3.43Å; A214-F241 HydrophobicContact CB-CE2 3.76Å; A214-F241 HydrophobicContact CB-CZ 3.83Å; S215-F241 VanDerWaalsContact OG-CD2 3.31Å; S215-F241 WeakPolarHBondContact OG-CD2 3.42Å; S215-F241 WeakPolarHBondContact OG-CE2 3.49Å; W237-F241 WeakPolarHBondContact O-CB 3.46Å; W237-F241 PolarHBondContact O-N 2.61Å; S238-F241 WeakPolarHBondContact O-CB 3.27Å; S238-F241 PolarHBondContact O-N 3.26Å; H239-F241 VanDerWaalsContact C-N 3.27Å; H239-F241 PolarHBondContact O-N 2.84Å; F241-R243 PolarHBondContact O-N 3.16Å; F241-M244 PolarHBondContact O-N 3.39Å; F241-L245 HydrophobicContact CD1-CD1 4.41Å; F241-L245 HydrophobicContact CD2-CD1 4.03Å; F241-L245 HydrophobicContact CD2-CG 3.99Å; F241-L245 HydrophobicContact CE1-CD1 4.23Å; F241-L245 HydrophobicContact CE2-CD1 3.83Å; F241-L245 HydrophobicContact CE2-CD2 3.96Å; F241-L245 HydrophobicContact CE2-CG 3.81Å; F241-L245 HydrophobicContact CG-CD1 4.33Å; F241-L245 HydrophobicContact CZ-CD1 3.95Å; F241-L245 HydrophobicContact CZ-CD2 4.43Å; F241-L245 HydrophobicContact CZ-CG 4.38Å; F241-L245 WeakPolarHBondContact O-CG 3.36Å; F241-L245 PolarHBondContact O-N 2.81Å; F241-M256 HydrophobicContact CD1-CG 4.28Å; F241-M256 HydrophobicContact CD1-SD 4.08Å; F241-M256 HydrophobicContact CE1-SD 4.16Å; F241-L260 HydrophobicContact CD1-CD1 4.21Å; F241-L424 HydrophobicContact CE1-CD2 3.7Å; F241-L424 HydrophobicContact CZ-CD2 3.75Å; F241-V427 HydrophobicContact CE1-CB 4.49Å; F241-V427 HydrophobicContact CE1-CG1 4.07Å; F241-V427 HydrophobicContact CZ-CG2 4.27Å
242	C	98.6	Very high	97.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-59	-45.1	177.8	-68.2	0	0	0	0	112.2	S238 H239 M244 L245 G246 Y247 F252 M256	S238-C242 PolarHBondContact O-N 3.02Å; S238-C242 PolarHBondContact O-SG 3.04Å; H239-C242 PolarHBondContact O-N 3.19Å; C242-M244 PolarHBondContact O-N 3.48Å; C242-L245 WeakPolarHBondContact O-CB 3.32Å; C242-L245 PolarHBondContact O-N 3.32Å; C242-G246 PolarHBondContact O-N 3.11Å; C242-Y247 CarbonylContact C-O 3.46Å; C242-Y247 PolarHBondContact O-N 3.32Å; C242-F252 HydrophobicContact CB-CD1 3.96Å; C242-F252 HydrophobicContact CB-CE1 4.08Å; C242-F252 VanDerWaalsContact SG-CD1 3.54Å; C242-F252 VanDerWaalsContact SG-CE1 3.56Å; C242-M256 WeakPolarHBondContact SG-CB 3.5Å
243	R	98.1	Very high	97.8	Very high	60 Å²	60	40.4 Å²	40.4	23%	0.226	23%	0.225	C	C	.	.	H	α-helix	trans	-61.8	-44.9	175.9	-70.6	179.2	66.3	-154.4	-1.7	111.7	R219 D232 M235 H239 N240 F241 L245 G246	R219-R243 PolarHBondContact NH2-O 3.34Å; D232-R243 VanDerWaalsContact CB-NH1 3.31Å; D232-R243 IonicContact OD2-NH1 3.58Å; M235-R243 WeakPolarHBondContact SD-CD 3.43Å; M235-R243 PolarHBondContact SD-NH1 2.9Å; H239-R243 WeakPolarHBondContact O-CG 3.37Å; H239-R243 PolarHBondContact O-N 3.01Å; N240-R243 PolarHBondContact O-N 3.18Å; F241-R243 PolarHBondContact O-N 3.16Å; R243-L245 VanDerWaalsContact C-N 3.28Å; R243-L245 PolarHBondContact O-N 2.83Å; R243-G246 WeakPolarHBondContact O-CA 3.41Å; R243-G246 PolarHBondContact O-N 3.07Å
244	M	98.4	Very high	97.9	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.015	20%	0.204	C	C	.	.	H	α-helix	trans	-63.6	-32.8	175.8	-72.7	-167.9	-66.8	0	0	112.4	P211 T212 S215 R219 V228 T229 I231 N240 F241 C242 G246	P211-M244 HydrophobicContact CB-CE 3.49Å; P211-M244 VanDerWaalsContact CB-CE 3.49Å; T212-M244 HydrophobicContact CG2-SD 4.27Å; S215-M244 WeakPolarHBondContact OG-CB 3.37Å; R219-M244 PolarHBondContact NE-O 3.31Å; R219-M244 PolarHBondContact NH2-O 3.37Å; R219-M244 VanDerWaalsContact NH2-O 3.16Å; V228-M244 HydrophobicContact CB-CB 4.25Å; V228-M244 HydrophobicContact CB-CG 4.2Å; V228-M244 HydrophobicContact CB-SD 4.46Å; V228-M244 HydrophobicContact CG1-CB 4.44Å; T229-M244 WeakPolarHBondContact O-CG 3.22Å; I231-M244 HydrophobicContact CD1-CE 3.6Å; I231-M244 HydrophobicContact CD1-SD 3.72Å; N240-M244 WeakPolarHBondContact O-CB 3.46Å; N240-M244 WeakPolarHBondContact O-CG 3.14Å; N240-M244 PolarHBondContact O-N 3.45Å; F241-M244 PolarHBondContact O-N 3.39Å; C242-M244 PolarHBondContact O-N 3.48Å; M244-G246 VanDerWaalsContact C-N 3.27Å; M244-G246 PolarHBondContact O-N 2.88Å
245	L	98.3	Very high	98	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-70.5	-21	171	-69.7	168.8	0	0	0	113.4	S215 Y218 F241 C242 R243 Y247 F252 M256 Y420	S215-L245 PolarHBondContact OG-N 3.31Å; Y218-L245 HydrophobicContact CD1-CD2 3.74Å; Y218-L245 HydrophobicContact CD2-CD2 4.36Å; Y218-L245 HydrophobicContact CE1-CD2 4.48Å; Y218-L245 HydrophobicContact CG-CD2 3.66Å; F241-L245 HydrophobicContact CD1-CD1 4.41Å; F241-L245 HydrophobicContact CD2-CD1 4.03Å; F241-L245 HydrophobicContact CD2-CG 3.99Å; F241-L245 HydrophobicContact CE1-CD1 4.23Å; F241-L245 HydrophobicContact CE2-CD1 3.83Å; F241-L245 HydrophobicContact CE2-CD2 3.96Å; F241-L245 HydrophobicContact CE2-CG 3.81Å; F241-L245 HydrophobicContact CG-CD1 4.33Å; F241-L245 HydrophobicContact CZ-CD1 3.95Å; F241-L245 HydrophobicContact CZ-CD2 4.43Å; F241-L245 HydrophobicContact CZ-CG 4.38Å; F241-L245 WeakPolarHBondContact O-CG 3.36Å; F241-L245 PolarHBondContact O-N 2.81Å; C242-L245 WeakPolarHBondContact O-CB 3.32Å; C242-L245 PolarHBondContact O-N 3.32Å; R243-L245 VanDerWaalsContact C-N 3.28Å; R243-L245 PolarHBondContact O-N 2.83Å; L245-Y247 HydrophobicContact CB-CD2 3.72Å; L245-Y247 HydrophobicContact CB-CE2 4.13Å; L245-F252 HydrophobicContact CD1-CE1 4.46Å; L245-M256 HydrophobicContact CD1-CE 4.26Å; L245-Y420 HydrophobicContact CD2-CE1 4.17Å
246	G	97.8	Very high	98.1	Very high	47 Å²	47	28.9 Å²	28.9	49%	0.485	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.4	20.9	-178.2	0	0	0	0	0	114.5	C242 R243 M244	C242-G246 PolarHBondContact O-N 3.11Å; R243-G246 WeakPolarHBondContact O-CA 3.41Å; R243-G246 PolarHBondContact O-N 3.07Å; M244-G246 VanDerWaalsContact C-N 3.27Å; M244-G246 PolarHBondContact O-N 2.88Å
247	Y	97.6	Very high	98.1	Very high	26 Å²	26	29.1 Å²	29.1	10%	0.102	16%	0.158	C	C	.	.			trans	-107.4	121.9	176.6	-66.4	-94.2	0	0	0	110.3	Y218 R223 C242 L245 F252 Y413 G414 L415	Y218-Y247 HydrophobicContact CE1-CE2 4.03Å; Y218-Y247 PolarHBondContact OH-OH 2.89Å; R223-Y247 PolarHBondContact NH2-OH 3.14Å; C242-Y247 CarbonylContact C-O 3.46Å; C242-Y247 PolarHBondContact O-N 3.32Å; L245-Y247 HydrophobicContact CB-CD2 3.72Å; L245-Y247 HydrophobicContact CB-CE2 4.13Å; Y247-F252 HydrophobicContact CD1-CD1 4.15Å; Y247-F252 HydrophobicContact CD1-CD2 4.33Å; Y247-F252 HydrophobicContact CD1-CE1 4.22Å; Y247-F252 HydrophobicContact CD1-CE2 4.36Å; Y247-F252 HydrophobicContact CD1-CG 4.19Å; Y247-F252 HydrophobicContact CD1-CZ 4.31Å; Y247-F252 HydrophobicContact CD2-CD1 4.31Å; Y247-F252 AromaticContact CD2-CE1 3.72Å; Y247-F252 HydrophobicContact CD2-CE1 3.72Å; Y247-F252 AromaticContact CD2-CZ 3.95Å; Y247-F252 HydrophobicContact CD2-CZ 3.95Å; Y247-F252 HydrophobicContact CE2-CZ 4.31Å; Y247-F252 AromaticContact CG-CD1 3.67Å; Y247-F252 HydrophobicContact CG-CD1 3.67Å; Y247-F252 AromaticContact CG-CE1 3.55Å; Y247-F252 HydrophobicContact CG-CE1 3.55Å; Y247-F252 HydrophobicContact CG-CE2 4.44Å; Y247-F252 HydrophobicContact CG-CG 4.17Å; Y247-F252 AromaticContact CG-CZ 3.96Å; Y247-F252 HydrophobicContact CG-CZ 3.96Å; Y247-Y413 WeakPolarHBondContact CE1-O 3.41Å; Y247-G414 PolarHBondContact OH-O 2.75Å; Y247-G414 VanDerWaalsContact OH-O 3.08Å; Y247-L415 VanDerWaalsContact OH-CA 3.28Å; Y247-L415 WeakPolarHBondContact OH-CA 3.45Å; Y247-L415 PolarHBondContact OH-N 2.91Å
248	E	95.3	Very high	98.1	Very high	175 Å²	175	28.8 Å²	28.8	82%	0.818	16%	0.157	S	C	*	.			trans	-107.9	-5.2	-179.9	-60.5	-171.1	160.9	0	0	113.1	P250	E248-P250 VanDerWaalsContact O-CD 3.32Å; E248-P250 WeakPolarHBondContact O-CD 3.37Å
249	D	96.9	Very high	98	Very high	81 Å²	81	29.1 Å²	29.1	43%	0.433	16%	0.158	S	C	.	.			trans	-63	120.8	177.2	-171	-38.3	0	0	0	110.2	G251 F252 T253	D249-G251 PolarHBondContact O-N 3.41Å; D249-G251 WeakPolarHBondContact OD1-CA 3.46Å; D249-G251 PolarHBondContact OD1-N 2.91Å; D249-F252 HydrophobicContact CB-CB 4.07Å; D249-F252 WeakPolarHBondContact O-CB 3.36Å; D249-F252 PolarHBondContact O-N 2.77Å; D249-F252 VanDerWaalsContact O-N 3.08Å; D249-T253 PolarHBondContact O-N 3.36Å; D249-T253 VanDerWaalsContact O-N 3.14Å; D249-T253 PolarHBondContact O-OG1 3.23Å
250	P	97	Very high	98.1	Very high	99 Å²	99	26.6 Å²	26.6	64%	0.643	15%	0.147	S	C	*	.	H	α-helix	trans	-58.4	-33	176.9	-25.2	35.3	0	0	0	113.5	E248 T253 E254	E248-P250 VanDerWaalsContact O-CD 3.32Å; E248-P250 WeakPolarHBondContact O-CD 3.37Å; P250-T253 PolarHBondContact O-N 3.2Å; P250-E254 PolarHBondContact O-N 3.17Å
251	G	97.4	Very high	98	Very high	9 Å²	9	26.2 Å²	26.2	9%	0.093	15%	0.145	C	C	.	.	H	α-helix	trans	-65.4	-38.7	174.6	0	0	0	0	0	112.5	D249 T253 E254 M255 Y413	D249-G251 PolarHBondContact O-N 3.41Å; D249-G251 WeakPolarHBondContact OD1-CA 3.46Å; D249-G251 PolarHBondContact OD1-N 2.91Å; G251-T253 VanDerWaalsContact C-N 3.3Å; G251-T253 PolarHBondContact O-N 3.21Å; G251-E254 PolarHBondContact O-N 3.1Å; G251-M255 WeakPolarHBondContact O-CB 3.45Å; G251-M255 PolarHBondContact O-N 3.01Å; G251-Y413 WeakPolarHBondContact CA-OH 3.35Å
252	F	98.3	Very high	97.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-64.3	-38.5	172.8	-177.9	-103.2	0	0	0	111.6	C242 L245 Y247 D249 M255 M256 Y413 L415	C242-F252 HydrophobicContact CB-CD1 3.96Å; C242-F252 HydrophobicContact CB-CE1 4.08Å; C242-F252 VanDerWaalsContact SG-CD1 3.54Å; C242-F252 VanDerWaalsContact SG-CE1 3.56Å; L245-F252 HydrophobicContact CD1-CE1 4.46Å; Y247-F252 HydrophobicContact CD1-CD1 4.15Å; Y247-F252 HydrophobicContact CD1-CD2 4.33Å; Y247-F252 HydrophobicContact CD1-CE1 4.22Å; Y247-F252 HydrophobicContact CD1-CE2 4.36Å; Y247-F252 HydrophobicContact CD1-CG 4.19Å; Y247-F252 HydrophobicContact CD1-CZ 4.31Å; Y247-F252 HydrophobicContact CD2-CD1 4.31Å; Y247-F252 AromaticContact CD2-CE1 3.72Å; Y247-F252 HydrophobicContact CD2-CE1 3.72Å; Y247-F252 AromaticContact CD2-CZ 3.95Å; Y247-F252 HydrophobicContact CD2-CZ 3.95Å; Y247-F252 HydrophobicContact CE2-CZ 4.31Å; Y247-F252 AromaticContact CG-CD1 3.67Å; Y247-F252 HydrophobicContact CG-CD1 3.67Å; Y247-F252 AromaticContact CG-CE1 3.55Å; Y247-F252 HydrophobicContact CG-CE1 3.55Å; Y247-F252 HydrophobicContact CG-CE2 4.44Å; Y247-F252 HydrophobicContact CG-CG 4.17Å; Y247-F252 AromaticContact CG-CZ 3.96Å; Y247-F252 HydrophobicContact CG-CZ 3.96Å; D249-F252 HydrophobicContact CB-CB 4.07Å; D249-F252 WeakPolarHBondContact O-CB 3.36Å; D249-F252 PolarHBondContact O-N 2.77Å; D249-F252 VanDerWaalsContact O-N 3.08Å; F252-M255 HydrophobicContact CD2-CE 3.37Å; F252-M255 HydrophobicContact CE2-CE 3.31Å; F252-M255 HydrophobicContact CG-CE 4.3Å; F252-M255 HydrophobicContact CZ-CE 4.14Å; F252-M255 PolarHBondContact O-N 2.9Å; F252-M256 HydrophobicContact CE1-CE 3.98Å; F252-M256 HydrophobicContact CE2-CE 4.4Å; F252-M256 HydrophobicContact CZ-CE 3.64Å; F252-M256 WeakPolarHBondContact O-CB 3.27Å; F252-M256 PolarHBondContact O-N 3.48Å; F252-Y413 HydrophobicContact CB-CD1 3.88Å; F252-Y413 HydrophobicContact CB-CD2 4.39Å; F252-Y413 HydrophobicContact CB-CE1 4.44Å; F252-Y413 HydrophobicContact CB-CG 3.87Å; F252-Y413 HydrophobicContact CD2-CD2 4.05Å; F252-Y413 AromaticContact CD2-CG 3.78Å; F252-Y413 HydrophobicContact CD2-CG 3.78Å; F252-Y413 HydrophobicContact CG-CG 4.33Å; F252-L415 HydrophobicContact CE2-CB 4.21Å; F252-L415 HydrophobicContact CE2-CD1 4.23Å; F252-L415 HydrophobicContact CZ-CD1 3.84Å
253	T	98.6	Very high	97.9	Very high	5 Å²	5	26.8 Å²	26.8	3%	0.031	15%	0.147	C	C	.	.	H	α-helix	trans	-65.3	-43.9	177.3	-57.9	0	0	0	0	111.8	H239 D249 P250 G251 M256 R257	H239-T253 HydrophobicContact CB-CG2 3.83Å; D249-T253 PolarHBondContact O-N 3.36Å; D249-T253 VanDerWaalsContact O-N 3.14Å; D249-T253 PolarHBondContact O-OG1 3.23Å; P250-T253 PolarHBondContact O-N 3.2Å; G251-T253 VanDerWaalsContact C-N 3.3Å; G251-T253 PolarHBondContact O-N 3.21Å; T253-M256 PolarHBondContact O-N 3.1Å; T253-R257 WeakPolarHBondContact O-CG 3.35Å; T253-R257 PolarHBondContact O-N 2.89Å
254	E	98.4	Very high	97.9	Very high	14 Å²	14	23.9 Å²	23.9	7%	0.065	14%	0.136	C	C	.	.	H	α-helix	trans	-61.6	-43.6	173.4	-75.6	-70.3	100.2	0	0	112.1	G112 H113 E114 P250 G251 M256 R257 L258 F364	G112-E254 WeakPolarHBondContact CA-OE2 3.17Å; H113-E254 PolarHBondContact N-OE2 2.9Å; E114-E254 HydrophobicContact CG-CB 4.26Å; E114-E254 PolarHBondContact N-OE2 3.07Å; P250-E254 PolarHBondContact O-N 3.17Å; G251-E254 PolarHBondContact O-N 3.1Å; E254-M256 VanDerWaalsContact C-N 3.31Å; E254-M256 PolarHBondContact O-N 3.49Å; E254-R257 PolarHBondContact O-N 3.32Å; E254-R257 WeakPolarHBondContact OE1-CD 3.38Å; E254-R257 IonicContact OE1-CZ 3.9Å; E254-R257 IonicContact OE1-NE 2.92Å; E254-R257 IonicContact OE1-NH1 2.66Å; E254-R257 PolarHBondContact OE1-NH1 3.47Å; E254-L258 PolarHBondContact O-N 3.45Å; E254-F364 HydrophobicContact CB-CE2 3.96Å; E254-F364 HydrophobicContact CB-CZ 4.15Å
255	M	98.2	Very high	97.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-59.9	-41.9	174.6	-177.1	-76	-60.6	0	0	111.4	G251 F252 L258 Y259 F364 L409 L410 Y413	G251-M255 WeakPolarHBondContact O-CB 3.45Å; G251-M255 PolarHBondContact O-N 3.01Å; F252-M255 HydrophobicContact CD2-CE 3.37Å; F252-M255 HydrophobicContact CE2-CE 3.31Å; F252-M255 HydrophobicContact CG-CE 4.3Å; F252-M255 HydrophobicContact CZ-CE 4.14Å; F252-M255 PolarHBondContact O-N 2.9Å; M255-L258 WeakPolarHBondContact O-CB 3.48Å; M255-L258 PolarHBondContact O-N 3.46Å; M255-Y259 VanDerWaalsContact O-CB 3.31Å; M255-Y259 WeakPolarHBondContact O-CB 2.93Å; M255-Y259 PolarHBondContact O-N 3.28Å; M255-F364 HydrophobicContact CB-CE1 3.75Å; M255-F364 HydrophobicContact CB-CE2 4.32Å; M255-F364 HydrophobicContact CB-CZ 3.58Å; M255-F364 HydrophobicContact CG-CE1 4.17Å; M255-F364 HydrophobicContact CG-CZ 4.43Å; M255-L409 HydrophobicContact CG-CB 3.82Å; M255-L409 HydrophobicContact CG-CD1 4.3Å; M255-L409 HydrophobicContact CG-CD2 4.46Å; M255-L409 HydrophobicContact CG-CG 4.44Å; M255-L409 HydrophobicContact SD-CB 4.01Å; M255-L410 HydrophobicContact CE-CD2 3.7Å; M255-L410 HydrophobicContact SD-CD2 3.99Å; M255-Y413 HydrophobicContact CB-CD2 4.3Å; M255-Y413 HydrophobicContact CB-CE2 3.91Å; M255-Y413 HydrophobicContact CE-CD2 4.37Å; M255-Y413 HydrophobicContact CG-CD2 4.35Å; M255-Y413 HydrophobicContact CG-CE2 4.2Å
256	M	98.7	Very high	97.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-66.5	-40.2	178.7	-171.7	59.9	66.3	0	0	112.1	F241 C242 L245 F252 T253 E254 L258 Y259 L260 L424	F241-M256 HydrophobicContact CD1-CG 4.28Å; F241-M256 HydrophobicContact CD1-SD 4.08Å; F241-M256 HydrophobicContact CE1-SD 4.16Å; C242-M256 WeakPolarHBondContact SG-CB 3.5Å; L245-M256 HydrophobicContact CD1-CE 4.26Å; F252-M256 HydrophobicContact CE1-CE 3.98Å; F252-M256 HydrophobicContact CE2-CE 4.4Å; F252-M256 HydrophobicContact CZ-CE 3.64Å; F252-M256 WeakPolarHBondContact O-CB 3.27Å; F252-M256 PolarHBondContact O-N 3.48Å; T253-M256 PolarHBondContact O-N 3.1Å; E254-M256 VanDerWaalsContact C-N 3.31Å; E254-M256 PolarHBondContact O-N 3.49Å; M256-L258 VanDerWaalsContact C-N 3.31Å; M256-L258 PolarHBondContact O-N 3.07Å; M256-Y259 PolarHBondContact O-N 2.78Å; M256-L260 HydrophobicContact CG-CD1 3.67Å; M256-L260 HydrophobicContact CG-CG 4.12Å; M256-L260 WeakPolarHBondContact O-CB 3.26Å; M256-L260 WeakPolarHBondContact O-CG 3.39Å; M256-L260 PolarHBondContact O-N 2.96Å; M256-L260 HydrophobicContact SD-CD1 3.88Å; M256-L260 HydrophobicContact SD-CD2 4.18Å; M256-L260 HydrophobicContact SD-CG 3.8Å; M256-L424 HydrophobicContact CE-CD1 4.45Å; M256-L424 HydrophobicContact CE-CD2 4.02Å; M256-L424 HydrophobicContact SD-CD2 4.47Å
257	R	98.7	Very high	97.9	Very high	20 Å²	20	26.6 Å²	26.6	8%	0.075	14%	0.136	C	C	.	.	H	α-helix	trans	-57.3	-45.5	172.7	-72.2	167.9	178.7	146.7	3.4	111.1	A109 E114 L116 D236 S238 T253 E254 T261	A109-R257 VanDerWaalsContact CB-NH1 3.35Å; E114-R257 HydrophobicContact CB-CB 4.23Å; L116-R257 HydrophobicContact CD2-CG 4.06Å; D236-R257 IonicContact OD1-CZ 3.5Å; D236-R257 IonicContact OD1-NE 3.8Å; D236-R257 PolarHBondContact OD1-NE 2.94Å; D236-R257 IonicContact OD1-NH2 3.35Å; D236-R257 PolarHBondContact OD1-NH2 3.44Å; D236-R257 IonicContact OD2-CZ 2.77Å; D236-R257 IonicContact OD2-NE 3.86Å; D236-R257 IonicContact OD2-NH2 3.14Å; D236-R257 PolarHBondContact OD2-NH2 3.22Å; S238-R257 VanDerWaalsContact CB-CG 3.46Å; T253-R257 WeakPolarHBondContact O-CG 3.35Å; T253-R257 PolarHBondContact O-N 2.89Å; E254-R257 PolarHBondContact O-N 3.32Å; E254-R257 WeakPolarHBondContact OE1-CD 3.38Å; E254-R257 IonicContact OE1-CZ 3.9Å; E254-R257 IonicContact OE1-NE 2.92Å; E254-R257 IonicContact OE1-NH1 2.66Å; E254-R257 PolarHBondContact OE1-NH1 3.47Å; R257-T261 WeakPolarHBondContact O-CB 3.35Å; R257-T261 PolarHBondContact O-N 3.24Å; R257-T261 VanDerWaalsContact O-N 3.14Å; R257-T261 PolarHBondContact O-OG1 3.01Å
258	L	98.1	Very high	97.9	Very high	4 Å²	4	25.7 Å²	25.7	2%	0.021	14%	0.135	C	C	.	.	H	α-helix	trans	-61.9	-51.9	175.7	-169.9	64.5	0	0	0	112.3	E114 E254 M255 M256 L260 T261 F262 F364	E114-L258 HydrophobicContact CB-CB 4.29Å; E114-L258 HydrophobicContact CG-CB 4.12Å; E114-L258 HydrophobicContact CG-CD1 4.41Å; E114-L258 VanDerWaalsContact OE2-CD1 3.25Å; E114-L258 WeakPolarHBondContact OE2-CD1 3.39Å; E254-L258 PolarHBondContact O-N 3.45Å; M255-L258 WeakPolarHBondContact O-CB 3.48Å; M255-L258 PolarHBondContact O-N 3.46Å; M256-L258 VanDerWaalsContact C-N 3.31Å; M256-L258 PolarHBondContact O-N 3.07Å; L258-L260 PolarHBondContact O-N 2.78Å; L258-T261 PolarHBondContact O-N 3.32Å; L258-F262 HydrophobicContact CD1-CD2 3.74Å; L258-F262 HydrophobicContact CD1-CE1 4.37Å; L258-F262 HydrophobicContact CD1-CE2 3.07Å; L258-F262 HydrophobicContact CD1-CZ 3.41Å; L258-F262 VanDerWaalsContact CD1-CZ 3.41Å; L258-F262 HydrophobicContact CG-CD2 4.07Å; L258-F262 HydrophobicContact CG-CE2 3.86Å; L258-F262 PolarHBondContact O-N 3.4Å; L258-F262 VanDerWaalsContact O-N 3.09Å; L258-F364 HydrophobicContact CD2-CB 3.83Å; L258-F364 HydrophobicContact CD2-CD2 3.74Å; L258-F364 HydrophobicContact CD2-CG 3.95Å
259	Y	98.5	Very high	98	Very high	7 Å²	7	20.1 Å²	20.1	3%	0.027	12%	0.124	C	C	.	.	H	α-helix	trans	-57.5	-50.7	-177.1	-178.2	-81	0	0	0	110.9	M255 M256 T261 F262 H263 L410 L424 F425	M255-Y259 VanDerWaalsContact O-CB 3.31Å; M255-Y259 WeakPolarHBondContact O-CB 2.93Å; M255-Y259 PolarHBondContact O-N 3.28Å; M256-Y259 PolarHBondContact O-N 2.78Å; Y259-T261 VanDerWaalsContact C-N 3.27Å; Y259-T261 PolarHBondContact O-N 3.39Å; Y259-F262 PolarHBondContact O-N 3.08Å; Y259-H263 AromaticContact CD2-CE1 3.67Å; Y259-H263 AromaticContact CD2-ND1 3.9Å; Y259-H263 AromaticContact CE2-CE1 3.61Å; Y259-H263 AromaticContact CE2-ND1 3.95Å; Y259-H263 AromaticContact CE2-NE2 4Å; Y259-H263 AromaticContact CG-ND1 3.98Å; Y259-H263 PolarHBondContact O-N 3.13Å; Y259-H263 PolarHBondContact O-ND1 3.23Å; Y259-L410 HydrophobicContact CE2-CD1 4.35Å; Y259-L424 HydrophobicContact CD1-CB 4.44Å; Y259-L424 HydrophobicContact CE1-CB 3.64Å; Y259-F425 PolarHBondContact OH-N 3.18Å
260	L	98.7	Very high	98	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-67.5	-28.5	-178.5	-66.4	172.4	0	0	0	112.5	P117 W237 F241 M256 L258 V427 S428	P117-L260 HydrophobicContact CB-CB 4.26Å; P117-L260 HydrophobicContact CG-CB 3.65Å; P117-L260 HydrophobicContact CG-CD1 4.4Å; W237-L260 HydrophobicContact CE3-CD1 3.97Å; W237-L260 HydrophobicContact CZ3-CB 4.25Å; W237-L260 HydrophobicContact CZ3-CD1 3.68Å; W237-L260 HydrophobicContact CZ3-CD2 4.3Å; W237-L260 HydrophobicContact CZ3-CG 4.3Å; F241-L260 HydrophobicContact CD1-CD1 4.21Å; M256-L260 HydrophobicContact CG-CD1 3.67Å; M256-L260 HydrophobicContact CG-CG 4.12Å; M256-L260 WeakPolarHBondContact O-CB 3.26Å; M256-L260 WeakPolarHBondContact O-CG 3.39Å; M256-L260 PolarHBondContact O-N 2.96Å; M256-L260 HydrophobicContact SD-CD1 3.88Å; M256-L260 HydrophobicContact SD-CD2 4.18Å; M256-L260 HydrophobicContact SD-CG 3.8Å; L258-L260 PolarHBondContact O-N 2.78Å; L260-V427 HydrophobicContact CD2-CB 4.36Å; L260-V427 HydrophobicContact CD2-CG1 3.96Å; L260-S428 WeakPolarHBondContact CA-OG 3.13Å; L260-S428 PolarHBondContact O-OG 2.68Å
261	T	98.5	Very high	98.1	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-74	-39.2	176.8	-61.2	0	0	0	0	112.3	P115 I120 R257 L258 Y259 C264	P115-T261 HydrophobicContact CB-CG2 4.26Å; P115-T261 HydrophobicContact CG-CG2 3.84Å; P115-T261 PolarHBondContact O-OG1 3.03Å; I120-T261 HydrophobicContact CB-CG2 4.01Å; I120-T261 HydrophobicContact CD1-CG2 4.39Å; I120-T261 HydrophobicContact CG1-CG2 4.25Å; I120-T261 HydrophobicContact CG2-CG2 4.27Å; R257-T261 WeakPolarHBondContact O-CB 3.35Å; R257-T261 PolarHBondContact O-N 3.24Å; R257-T261 VanDerWaalsContact O-N 3.14Å; R257-T261 PolarHBondContact O-OG1 3.01Å; L258-T261 PolarHBondContact O-N 3.32Å; Y259-T261 VanDerWaalsContact C-N 3.27Å; Y259-T261 PolarHBondContact O-N 3.39Å; T261-C264 WeakPolarHBondContact O-CB 3.33Å; T261-C264 PolarHBondContact O-SG 2.69Å
262	F	95.1	Very high	98.2	Very high	6 Å²	6	16.2 Å²	16.2	3%	0.026	10%	0.099	C	C	.	.	H	α-helix	trans	-95.5	-14.9	-171	-63.6	-15.1	0	0	0	115.7	I99 Q103 P115 L258 Y259 C264 R357 C360	I99-F262 HydrophobicContact CD1-CD1 3.94Å; I99-F262 HydrophobicContact CD1-CE1 4.41Å; I99-F262 HydrophobicContact CD1-CG 4.35Å; I99-F262 HydrophobicContact CG2-CD1 4.04Å; I99-F262 HydrophobicContact CG2-CD2 4.09Å; I99-F262 HydrophobicContact CG2-CE1 3.71Å; I99-F262 HydrophobicContact CG2-CE2 3.68Å; I99-F262 HydrophobicContact CG2-CG 4.27Å; I99-F262 HydrophobicContact CG2-CZ 3.54Å; Q103-F262 HydrophobicContact CG-CE1 4.37Å; Q103-F262 HydrophobicContact CG-CE2 4.42Å; Q103-F262 HydrophobicContact CG-CZ 3.55Å; P115-F262 HydrophobicContact CG-CE1 4.2Å; P115-F262 HydrophobicContact CG-CZ 4.33Å; L258-F262 HydrophobicContact CD1-CD2 3.74Å; L258-F262 HydrophobicContact CD1-CE1 4.37Å; L258-F262 HydrophobicContact CD1-CE2 3.07Å; L258-F262 HydrophobicContact CD1-CZ 3.41Å; L258-F262 VanDerWaalsContact CD1-CZ 3.41Å; L258-F262 HydrophobicContact CG-CD2 4.07Å; L258-F262 HydrophobicContact CG-CE2 3.86Å; L258-F262 PolarHBondContact O-N 3.4Å; L258-F262 VanDerWaalsContact O-N 3.09Å; Y259-F262 PolarHBondContact O-N 3.08Å; F262-C264 VanDerWaalsContact C-N 3.3Å; F262-R357 HydrophobicContact CB-CB 4.49Å; F262-R357 HydrophobicContact CB-CG 4.12Å; F262-R357 VanDerWaalsContact O-CD 3.24Å; F262-R357 WeakPolarHBondContact O-CD 3.36Å; F262-C360 HydrophobicContact CD2-CB 4.12Å; F262-C360 HydrophobicContact CE2-CB 3.44Å; F262-C360 VanDerWaalsContact CE2-CB 3.44Å; F262-C360 HydrophobicContact CZ-CB 4.38Å
263	H	98.5	Very high	98.2	Very high	5 Å²	5	16.6 Å²	16.6	2%	0.023	10%	0.102	C	C	.	.	S	Bend	trans	-91.7	1.7	170.8	-61.1	80.9	0	0	0	112.2	Y259 D265 V402 F425 S428 R429	Y259-H263 AromaticContact CD2-CE1 3.67Å; Y259-H263 AromaticContact CD2-ND1 3.9Å; Y259-H263 AromaticContact CE2-CE1 3.61Å; Y259-H263 AromaticContact CE2-ND1 3.95Å; Y259-H263 AromaticContact CE2-NE2 4Å; Y259-H263 AromaticContact CG-ND1 3.98Å; Y259-H263 PolarHBondContact O-N 3.13Å; Y259-H263 PolarHBondContact O-ND1 3.23Å; H263-D265 VanDerWaalsContact C-N 3.31Å; H263-D265 PolarHBondContact O-N 3.35Å; H263-V402 VanDerWaalsContact CE1-CG2 3.48Å; H263-V402 WeakPolarHBondContact CE1-CG2 3.48Å; H263-V402 VanDerWaalsContact NE2-CG2 3.33Å; H263-V402 WeakPolarHBondContact NE2-CG2 3.45Å; H263-F425 HydrophobicContact CB-CD2 3.79Å; H263-F425 HydrophobicContact CB-CE2 3.9Å; H263-S428 WeakPolarHBondContact CA-OG 3.42Å; H263-S428 VanDerWaalsContact CB-OG 3.29Å; H263-S428 WeakPolarHBondContact CB-OG 3.31Å; H263-R429 PolarHBondContact O-NE 2.9Å
264	C	98.4	Very high	98.2	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.11	C	C	.	.	S	Bend	trans	-63.7	-34.6	-165.8	74.7	0	0	0	0	113.5	I120 T261 F262 S428 R429 L431 G432	I120-C264 HydrophobicContact CG2-CB 4.2Å; T261-C264 WeakPolarHBondContact O-CB 3.33Å; T261-C264 PolarHBondContact O-SG 2.69Å; F262-C264 VanDerWaalsContact C-N 3.3Å; C264-S428 WeakPolarHBondContact CA-O 3.38Å; C264-S428 WeakPolarHBondContact CA-OG 3.39Å; C264-S428 PolarHBondContact N-OG 3.35Å; C264-R429 WeakPolarHBondContact O-CA 3.37Å; C264-L431 HydrophobicContact CB-CB 4.08Å; C264-L431 HydrophobicContact CB-CD1 4.15Å; C264-G432 VanDerWaalsContact O-CA 3.24Å; C264-G432 WeakPolarHBondContact O-CA 3.22Å; C264-G432 PolarHBondContact O-N 3.24Å
265	D	98.6	Very high	98.2	Very high	2 Å²	2	19.3 Å²	19.3	1%	0.011	12%	0.117	C	C	.	.			trans	-157.2	154.3	-179	-159.1	22.9	0	0	0	111.5	T83 S84 F94 L124 H263	T83-D265 WeakPolarHBondContact CB-OD2 3.3Å; T83-D265 PolarHBondContact OG1-OD2 2.74Å; S84-D265 VanDerWaalsContact CB-OD2 3.28Å; S84-D265 WeakPolarHBondContact CB-OD2 3.39Å; S84-D265 PolarHBondContact N-OD2 3.46Å; S84-D265 PolarHBondContact OG-OD2 3.09Å; F94-D265 HydrophobicContact CD1-CB 4.49Å; F94-D265 HydrophobicContact CE1-CB 4.2Å; F94-D265 WeakPolarHBondContact CE1-O 3.39Å; L124-D265 HydrophobicContact CD1-CB 4.42Å; H263-D265 VanDerWaalsContact C-N 3.31Å; H263-D265 PolarHBondContact O-N 3.35Å
266	H	97.8	Very high	98.3	Very high	44 Å²	44	19.4 Å²	19.4	20%	0.204	12%	0.118	C	C	.	.			trans	-162	71.3	173.2	-165.9	-62.9	0	0	0	111	N270	H266-N270 PolarHBondContact O-ND2 3.07Å
267	E	98.1	Very high	98.3	Very high	62 Å²	62	20.4 Å²	20.4	29%	0.29	12%	0.122	S	C	.	.			trans	56.9	178.8	-171.6	-49.7	-171.7	129.6	0	0	113.3	T81 S84 L86 I92 N270	T81-E267 HydrophobicContact CG2-CB 4.43Å; S84-E267 PolarHBondContact OG-N 2.94Å; L86-E267 HydrophobicContact CB-CG 4.32Å; L86-E267 WeakPolarHBondContact CB-OE1 3.45Å; L86-E267 PolarHBondContact N-OE1 3.24Å; I92-E267 HydrophobicContact CD1-CG 4.06Å; E267-N270 PolarHBondContact O-ND2 3.44Å
268	G	98	Very high	98.3	Very high	7 Å²	7	22.9 Å²	22.9	7%	0.072	14%	0.137	C	C	.	.	S	Bend	trans	-94.1	-9.2	-179.6	0	0	0	0	0	114.9	H274	G268-H274 WeakPolarHBondContact O-CA 3.37Å; G268-H274 WeakPolarHBondContact O-CB 3.41Å; G268-H274 PolarHBondContact O-N 3.2Å
269	G	97.7	Very high	98.3	Very high	58 Å²	58	24.7 Å²	24.7	60%	0.598	15%	0.148	S	C	*	.			trans	-80.8	-13.3	-172.8	0	0	0	0	0	115.2
270	N	97.6	Very high	98.3	Very high	30 Å²	30	24.4 Å²	24.4	16%	0.16	15%	0.147	C	C	.	.	S	Bend	trans	-74.7	150.7	175.4	70.8	80.6	0	0	0	110.6	H266 E267 S272 A273 H274 H302 R429	H266-N270 PolarHBondContact O-ND2 3.07Å; E267-N270 PolarHBondContact O-ND2 3.44Å; N270-S272 VanDerWaalsContact C-N 3.31Å; N270-S272 PolarHBondContact O-N 3.14Å; N270-S272 PolarHBondContact OD1-OG 3.31Å; N270-A273 PolarHBondContact O-N 3.29Å; N270-A273 WeakPolarHBondContact OD1-CB 3.33Å; N270-A273 PolarHBondContact OD1-N 2.99Å; N270-A273 VanDerWaalsContact OD1-N 3.11Å; N270-H274 WeakPolarHBondContact O-CB 3.27Å; N270-H274 PolarHBondContact O-N 3.41Å; N270-H302 PolarHBondContact OD1-NE2 3.42Å; N270-R429 PolarHBondContact OD1-NH1 3.26Å
271	V	98.5	Very high	98.3	Very high	77 Å²	77	24.7 Å²	24.7	47%	0.467	15%	0.149	S	C	.	.	H	α-helix	trans	-57.3	-39.5	-167.2	178.4	0	0	0	0	113.2	S275	V271-S275 WeakPolarHBondContact O-CB 3.15Å; V271-S275 PolarHBondContact O-N 3.27Å; V271-S275 PolarHBondContact O-OG 2.87Å
272	S	98.7	Very high	98.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-71.1	-44.7	-179.4	60.2	0	0	0	0	112.2	N270 S275 C276 S293 H302 R429	N270-S272 VanDerWaalsContact C-N 3.31Å; N270-S272 PolarHBondContact O-N 3.14Å; N270-S272 PolarHBondContact OD1-OG 3.31Å; S272-S275 PolarHBondContact O-N 2.82Å; S272-C276 PolarHBondContact O-N 3.38Å; S272-C276 VanDerWaalsContact O-N 3.1Å; S272-S293 WeakPolarHBondContact CB-O 3.34Å; S272-S293 WeakPolarHBondContact CB-OG 3.44Å; S272-S293 WeakPolarHBondContact O-CB 3.22Å; S272-S293 PolarHBondContact O-OG 3.49Å; S272-H302 WeakPolarHBondContact CB-NE2 3.48Å; S272-H302 PolarHBondContact N-NE2 3.48Å; S272-H302 PolarHBondContact OG-NE2 2.91Å; S272-R429 PolarHBondContact OG-NH1 3.36Å; S272-R429 VanDerWaalsContact OG-NH1 3.07Å
273	A	98.8	Very high	98.5	Very high	8 Å²	8	29.6 Å²	29.6	7%	0.066	18%	0.183	C	C	.	.	H	α-helix	trans	-64.1	-45.8	175.1	0	0	0	0	0	112.1	N270 S275 C276 H277 V433	N270-A273 PolarHBondContact O-N 3.29Å; N270-A273 WeakPolarHBondContact OD1-CB 3.33Å; N270-A273 PolarHBondContact OD1-N 2.99Å; N270-A273 VanDerWaalsContact OD1-N 3.11Å; A273-S275 PolarHBondContact O-N 2.93Å; A273-C276 WeakPolarHBondContact O-CB 3.22Å; A273-C276 PolarHBondContact O-N 3.47Å; A273-H277 PolarHBondContact O-N 3.29Å; A273-V433 HydrophobicContact CB-CG1 3.88Å
274	H	98.8	Very high	98.5	Very high	46 Å²	46	31 Å²	31	21%	0.213	19%	0.194	C	C	.	.	H	α-helix	trans	-63.8	-42.1	178.3	-172.7	-164	0	0	0	111.7	G268 N270 C276 H277 L278 E448	G268-H274 WeakPolarHBondContact O-CA 3.37Å; G268-H274 WeakPolarHBondContact O-CB 3.41Å; G268-H274 PolarHBondContact O-N 3.2Å; N270-H274 WeakPolarHBondContact O-CB 3.27Å; N270-H274 PolarHBondContact O-N 3.41Å; H274-C276 VanDerWaalsContact C-N 3.31Å; H274-C276 PolarHBondContact O-N 3.45Å; H274-H277 PolarHBondContact O-N 3.47Å; H274-L278 VanDerWaalsContact O-CB 3.22Å; H274-L278 WeakPolarHBondContact O-CB 3.3Å; H274-L278 PolarHBondContact O-N 3.1Å; H274-E448 IonicContact CD2-OE1 2.55Å; H274-E448 IonicContact CD2-OE2 2.81Å; H274-E448 IonicContact CE1-OE1 2.78Å; H274-E448 PolarHBondContact CE1-OE1 3.45Å; H274-E448 VanDerWaalsContact NE2-CD 3.28Å; H274-E448 IonicContact NE2-OE1 3.53Å; H274-E448 PolarHBondContact NE2-OE1 3.32Å; H274-E448 IonicContact NE2-OE2 3.29Å; H274-E448 PolarHBondContact NE2-OE2 2.99Å
275	S	98.8	Very high	98.5	Very high	29 Å²	29	31.4 Å²	31.4	20%	0.203	20%	0.196	C	C	.	.	H	α-helix	trans	-62.4	-38.7	177.3	-60.9	0	0	0	0	112.3	V271 S272 A273 V279	V271-S275 WeakPolarHBondContact O-CB 3.15Å; V271-S275 PolarHBondContact O-N 3.27Å; V271-S275 PolarHBondContact O-OG 2.87Å; S272-S275 PolarHBondContact O-N 2.82Å; A273-S275 PolarHBondContact O-N 2.93Å; S275-V279 WeakPolarHBondContact O-CB 3.48Å; S275-V279 WeakPolarHBondContact O-CG2 3.3Å; S275-V279 PolarHBondContact O-N 2.76Å; S275-V279 VanDerWaalsContact O-N 3.07Å
276	C	98.9	Very high	98.6	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.014	20%	0.195	C	C	.	.	H	α-helix	trans	-61.9	-49.3	173.9	-161.4	0	0	0	0	111.5	S272 A273 H274 G280 S289 V433	S272-C276 PolarHBondContact O-N 3.38Å; S272-C276 VanDerWaalsContact O-N 3.1Å; A273-C276 WeakPolarHBondContact O-CB 3.22Å; A273-C276 PolarHBondContact O-N 3.47Å; H274-C276 VanDerWaalsContact C-N 3.31Å; H274-C276 PolarHBondContact O-N 3.45Å; C276-G280 PolarHBondContact O-N 3.39Å; C276-S289 WeakPolarHBondContact CA-O 3.13Å; C276-V433 HydrophobicContact CB-CB 4Å; C276-V433 HydrophobicContact CB-CG1 4.48Å; C276-V433 HydrophobicContact CB-CG2 4.35Å
277	H	98.8	Very high	98.6	Very high	22 Å²	22	29.2 Å²	29.2	10%	0.102	19%	0.186	C	C	.	.	H	α-helix	trans	-61	-48.4	177.8	178.5	76.6	0	0	0	112.1	A273 H274 G280 S281 D440 E448	A273-H277 PolarHBondContact O-N 3.29Å; H274-H277 PolarHBondContact O-N 3.47Å; H277-G280 CarbonylContact O-C 3.18Å; H277-G280 PolarHBondContact O-N 2.77Å; H277-S281 WeakPolarHBondContact O-CB 3.49Å; H277-S281 PolarHBondContact O-N 2.72Å; H277-D440 IonicContact CE1-OD1 3.27Å; H277-D440 IonicContact CE1-OD2 2.76Å; H277-D440 IonicContact CG-OD2 2.74Å; H277-D440 IonicContact ND1-OD1 3.25Å; H277-D440 IonicContact ND1-OD2 3.73Å; H277-D440 PolarHBondContact ND1-OD2 3.17Å; H277-E448 IonicContact CD2-OE2 3.22Å; H277-E448 PolarHBondContact CD2-OE2 3.06Å; H277-E448 VanDerWaalsContact CD2-OE2 3.27Å; H277-E448 IonicContact NE2-OE2 2.97Å
278	L	98.8	Very high	98.6	Very high	71 Å²	71	29.1 Å²	29.1	37%	0.372	19%	0.187	S	C	.	.	H	α-helix	trans	-60	-51.6	-177.9	173.3	59.7	0	0	0	111.4	H274 S281 E448	H274-L278 VanDerWaalsContact O-CB 3.22Å; H274-L278 WeakPolarHBondContact O-CB 3.3Å; H274-L278 PolarHBondContact O-N 3.1Å; L278-S281 WeakPolarHBondContact O-CB 3.15Å; L278-S281 PolarHBondContact O-N 3.4Å; L278-S281 PolarHBondContact O-OG 3.05Å; L278-E448 HydrophobicContact CD1-CB 3.89Å; L278-E448 HydrophobicContact CD1-CG 4.22Å
279	V	98.9	Very high	98.7	Very high	43 Å²	43	28.8 Å²	28.8	26%	0.261	18%	0.184	S	C	.	.	H	α-helix	trans	-65.6	-42.6	177.8	172.9	0	0	0	0	110.7	S275 S281 A282 A292	S275-V279 WeakPolarHBondContact O-CB 3.48Å; S275-V279 WeakPolarHBondContact O-CG2 3.3Å; S275-V279 PolarHBondContact O-N 2.76Å; S275-V279 VanDerWaalsContact O-N 3.07Å; V279-S281 VanDerWaalsContact C-N 3.25Å; V279-S281 PolarHBondContact O-N 3.05Å; V279-A282 WeakPolarHBondContact O-CB 3.41Å; V279-A282 PolarHBondContact O-N 2.91Å; V279-A282 VanDerWaalsContact O-N 3.16Å; V279-A292 HydrophobicContact CB-CB 4.32Å; V279-A292 HydrophobicContact CG2-CB 3.67Å
280	G	98.9	Very high	98.8	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-61.7	-29.8	175.1	0	0	0	0	0	114	C276 H277 A282 L283 S289 R441	C276-G280 PolarHBondContact O-N 3.39Å; H277-G280 CarbonylContact O-C 3.18Å; H277-G280 PolarHBondContact O-N 2.77Å; G280-A282 PolarHBondContact O-N 3.47Å; G280-L283 WeakPolarHBondContact O-CA 3.47Å; G280-L283 PolarHBondContact O-N 3.09Å; G280-S289 WeakPolarHBondContact CA-OG 3.41Å; G280-S289 PolarHBondContact N-OG 2.87Å; G280-R441 PolarHBondContact O-NH1 2.69Å; G280-R441 VanDerWaalsContact O-NH1 3.1Å
281	S	98.7	Very high	98.8	Very high	6 Å²	6	25 Å²	25	4%	0.042	15%	0.15	C	C	.	.	H	α-helix	trans	-66.2	-23.8	178.1	84.7	0	0	0	0	112.9	H277 L278 V279 L283 I447 E448	H277-S281 WeakPolarHBondContact O-CB 3.49Å; H277-S281 PolarHBondContact O-N 2.72Å; L278-S281 WeakPolarHBondContact O-CB 3.15Å; L278-S281 PolarHBondContact O-N 3.4Å; L278-S281 PolarHBondContact O-OG 3.05Å; V279-S281 VanDerWaalsContact C-N 3.25Å; V279-S281 PolarHBondContact O-N 3.05Å; S281-L283 PolarHBondContact O-N 3.44Å; S281-I447 WeakPolarHBondContact O-CA 3.31Å; S281-E448 PolarHBondContact OG-N 3.02Å
282	A	98.7	Very high	98.8	Very high	60 Å²	60	22.5 Å²	22.5	50%	0.496	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	7.3	171	0	0	0	0	0	113.1	V279 G280 S284	V279-A282 WeakPolarHBondContact O-CB 3.41Å; V279-A282 PolarHBondContact O-N 2.91Å; V279-A282 VanDerWaalsContact O-N 3.16Å; G280-A282 PolarHBondContact O-N 3.47Å; A282-S284 VanDerWaalsContact C-N 3.29Å
283	L	98.7	Very high	98.8	Very high	49 Å²	49	22.5 Å²	22.5	26%	0.257	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	31.6	-174.7	-50	179.4	0	0	0	113.3	F182 Y186 Y195 G280 S281	F182-L283 HydrophobicContact CE1-CB 4.42Å; F182-L283 WeakPolarHBondContact CE1-O 3.28Å; F182-L283 HydrophobicContact CZ-CB 4.4Å; Y186-L283 HydrophobicContact CE2-CB 4.49Å; Y186-L283 HydrophobicContact CE2-CD1 3.6Å; Y195-L283 HydrophobicContact CD2-CD2 4.29Å; Y195-L283 HydrophobicContact CE2-CD1 3.89Å; Y195-L283 HydrophobicContact CE2-CD2 4.3Å; G280-L283 WeakPolarHBondContact O-CA 3.47Å; G280-L283 PolarHBondContact O-N 3.09Å; S281-L283 PolarHBondContact O-N 3.44Å
284	S	98.8	Very high	98.8	Very high	36 Å²	36	22.1 Å²	22.1	25%	0.252	14%	0.135	S	C	.	.			trans	-69.6	146.1	159.4	-63.2	0	0	0	0	110	A282 S289	A282-S284 VanDerWaalsContact C-N 3.29Å; S284-S289 PolarHBondContact O-OG 2.94Å
285	D	98.9	Very high	98.8	Very high	7 Å²	7	23.5 Å²	23.5	4%	0.037	15%	0.149	C	C	.	.			trans	-68.7	168	177.4	58.6	91.2	0	0	0	112.8	N177 S180 F182 Y287 L288 S289	N177-D285 PolarHBondContact ND2-OD1 2.67Å; N177-D285 PolarHBondContact ND2-OD2 2.92Å; S180-D285 VanDerWaalsContact OG-CB 3.25Å; S180-D285 WeakPolarHBondContact OG-CB 3.39Å; F182-D285 HydrophobicContact CB-CB 4.36Å; F182-D285 HydrophobicContact CD1-CB 3.97Å; D285-Y287 VanDerWaalsContact C-N 3.3Å; D285-Y287 PolarHBondContact O-N 3.05Å; D285-Y287 VanDerWaalsContact OD1-CB 3.31Å; D285-Y287 WeakPolarHBondContact OD1-CB 3.43Å; D285-Y287 PolarHBondContact OD1-N 3.37Å; D285-Y287 VanDerWaalsContact OD1-N 3.12Å; D285-L288 PolarHBondContact O-N 2.93Å; D285-L288 PolarHBondContact OD1-N 3.46Å; D285-L288 WeakPolarHBondContact OD2-CD1 3.41Å; D285-S289 WeakPolarHBondContact O-CB 3.46Å; D285-S289 PolarHBondContact O-N 3.18Å; D285-S289 PolarHBondContact O-OG 3.28Å
286	P	98.9	Very high	98.8	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-54.2	-36.8	179	-34.6	42.1	0	0	0	115.7	V199 D202 F290 L434 L437	V199-P286 HydrophobicContact CB-CG 4.38Å; V199-P286 HydrophobicContact CG1-CG 3.92Å; V199-P286 HydrophobicContact CG2-CG 4.46Å; D202-P286 HydrophobicContact CB-CB 4.08Å; D202-P286 HydrophobicContact CB-CG 3.62Å; P286-F290 WeakPolarHBondContact O-CB 3.21Å; P286-F290 PolarHBondContact O-N 2.78Å; P286-L434 HydrophobicContact CB-CD2 4Å; P286-L437 HydrophobicContact CB-CD2 4.18Å; P286-L437 HydrophobicContact CG-CD2 4.03Å
287	Y	98.9	Very high	98.8	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-65.5	-49.4	-177.2	-62.5	-86.5	0	0	0	111.2	L176 D202 D205 L206 D285 F290 A291	L176-Y287 HydrophobicContact CB-CD1 3.5Å; L176-Y287 VanDerWaalsContact CB-CD1 3.5Å; L176-Y287 HydrophobicContact CB-CE1 3.7Å; L176-Y287 HydrophobicContact CB-CG 4.43Å; D202-Y287 HydrophobicContact CB-CD2 4.38Å; D202-Y287 HydrophobicContact CB-CE2 3.86Å; D205-Y287 VanDerWaalsContact CB-OH 3.31Å; D205-Y287 WeakPolarHBondContact CB-OH 3.44Å; L206-Y287 HydrophobicContact CB-CD1 4.2Å; L206-Y287 HydrophobicContact CB-CE1 3.87Å; L206-Y287 HydrophobicContact CD1-CD1 3.84Å; L206-Y287 HydrophobicContact CD1-CE1 4.02Å; L206-Y287 HydrophobicContact CD2-CD1 4.27Å; L206-Y287 HydrophobicContact CG-CD1 4.33Å; L206-Y287 HydrophobicContact CG-CE1 4.41Å; D285-Y287 VanDerWaalsContact C-N 3.3Å; D285-Y287 PolarHBondContact O-N 3.05Å; D285-Y287 VanDerWaalsContact OD1-CB 3.31Å; D285-Y287 WeakPolarHBondContact OD1-CB 3.43Å; D285-Y287 PolarHBondContact OD1-N 3.37Å; D285-Y287 VanDerWaalsContact OD1-N 3.12Å; Y287-F290 PolarHBondContact O-N 3.23Å; Y287-A291 WeakPolarHBondContact O-CB 3.46Å; Y287-A291 PolarHBondContact O-N 3.11Å
288	L	98.9	Very high	98.8	Very high	61 Å²	61	23.5 Å²	23.5	32%	0.319	16%	0.156	S	C	.	.	H	α-helix	trans	-68.1	-40.1	178.2	-60.6	-176.9	0	0	0	112.1	N177 D285 F290 A291 A292	N177-L288 HydrophobicContact CB-CD2 3.91Å; N177-L288 HydrophobicContact CB-CG 4.25Å; N177-L288 WeakPolarHBondContact ND2-CG 3.24Å; D285-L288 PolarHBondContact O-N 2.93Å; D285-L288 PolarHBondContact OD1-N 3.46Å; D285-L288 WeakPolarHBondContact OD2-CD1 3.41Å; L288-F290 VanDerWaalsContact C-N 3.34Å; L288-F290 PolarHBondContact O-N 3.41Å; L288-A291 PolarHBondContact O-N 3.05Å; L288-A292 PolarHBondContact O-N 3.13Å
289	S	98.9	Very high	98.7	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-64.1	-40.3	178	-54.9	0	0	0	0	111.6	C276 G280 S284 D285 S293	C276-S289 WeakPolarHBondContact CA-O 3.13Å; G280-S289 WeakPolarHBondContact CA-OG 3.41Å; G280-S289 PolarHBondContact N-OG 2.87Å; S284-S289 PolarHBondContact O-OG 2.94Å; D285-S289 WeakPolarHBondContact O-CB 3.46Å; D285-S289 PolarHBondContact O-N 3.18Å; D285-S289 PolarHBondContact O-OG 3.28Å; S289-S293 PolarHBondContact O-N 3.31Å
290	F	98.9	Very high	98.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-73.2	-37	175.8	-172.6	-102.5	0	0	0	112.6	C173 L206 L210 P286 Y287 L288 A292 S293 M294 G426 A430 V433 L434	C173-F290 HydrophobicContact CB-CD1 4.34Å; L206-F290 HydrophobicContact CD2-CB 3.63Å; L206-F290 HydrophobicContact CD2-CD1 4Å; L206-F290 HydrophobicContact CD2-CG 3.89Å; L210-F290 HydrophobicContact CD1-CE1 3.9Å; L210-F290 HydrophobicContact CD1-CZ 3.92Å; L210-F290 HydrophobicContact CD2-CD1 4.41Å; L210-F290 HydrophobicContact CD2-CE1 3.64Å; L210-F290 HydrophobicContact CD2-CZ 4.3Å; L210-F290 HydrophobicContact CG-CE1 4.4Å; P286-F290 WeakPolarHBondContact O-CB 3.21Å; P286-F290 PolarHBondContact O-N 2.78Å; Y287-F290 PolarHBondContact O-N 3.23Å; L288-F290 VanDerWaalsContact C-N 3.34Å; L288-F290 PolarHBondContact O-N 3.41Å; F290-A292 VanDerWaalsContact C-N 3.31Å; F290-A292 PolarHBondContact O-N 3.23Å; F290-S293 WeakPolarHBondContact O-CA 3.29Å; F290-S293 WeakPolarHBondContact O-CB 3.16Å; F290-S293 PolarHBondContact O-N 3.24Å; F290-S293 VanDerWaalsContact O-N 3.14Å; F290-M294 HydrophobicContact CD1-CG 4.05Å; F290-M294 HydrophobicContact CD2-CE 4.29Å; F290-M294 HydrophobicContact CE1-CE 4.3Å; F290-M294 HydrophobicContact CE1-CG 3.59Å; F290-M294 HydrophobicContact CE1-SD 3.95Å; F290-M294 HydrophobicContact CE2-CE 3.56Å; F290-M294 HydrophobicContact CE2-CG 4.48Å; F290-M294 HydrophobicContact CE2-SD 4.23Å; F290-M294 HydrophobicContact CZ-CE 3.57Å; F290-M294 HydrophobicContact CZ-CG 3.85Å; F290-M294 HydrophobicContact CZ-SD 3.6Å; F290-M294 WeakPolarHBondContact O-CG 3.39Å; F290-M294 PolarHBondContact O-N 3.35Å; F290-G426 WeakPolarHBondContact CZ-O 3.47Å; F290-A430 HydrophobicContact CD2-CB 4.25Å; F290-A430 VanDerWaalsContact CE2-CA 3.46Å; F290-A430 HydrophobicContact CE2-CB 3.47Å; F290-A430 VanDerWaalsContact CE2-CB 3.47Å; F290-A430 HydrophobicContact CZ-CB 3.7Å; F290-V433 HydrophobicContact CD2-CG2 3.8Å; F290-V433 HydrophobicContact CE2-CG2 4.08Å; F290-L434 HydrophobicContact CB-CD2 4.36Å
291	A	98.9	Very high	98.3	Very high	7 Å²	7	32.2 Å²	32.2	6%	0.058	21%	0.211	C	C	.	.	H	α-helix	trans	-58.5	-44.1	172.8	0	0	0	0	0	111.4	C173 A174 Y287 L288 M294 C295	C173-A291 HydrophobicContact CB-CB 4.03Å; A174-A291 HydrophobicContact CB-CB 4.1Å; Y287-A291 WeakPolarHBondContact O-CB 3.46Å; Y287-A291 PolarHBondContact O-N 3.11Å; L288-A291 PolarHBondContact O-N 3.05Å; A291-M294 PolarHBondContact O-N 2.97Å; A291-C295 PolarHBondContact O-N 3.41Å; A291-C295 PolarHBondContact O-SG 2.92Å; A291-C295 VanDerWaalsContact O-SG 3.39Å
292	A	98.9	Very high	98.2	Very high	26 Å²	26	33.8 Å²	33.8	22%	0.215	22%	0.218	C	C	.	.	H	α-helix	trans	-64.1	-38.8	173.9	0	0	0	0	0	112.8	V279 L288 F290 M294 C295 G296	V279-A292 HydrophobicContact CB-CB 4.32Å; V279-A292 HydrophobicContact CG2-CB 3.67Å; L288-A292 PolarHBondContact O-N 3.13Å; F290-A292 VanDerWaalsContact C-N 3.31Å; F290-A292 PolarHBondContact O-N 3.23Å; A292-M294 VanDerWaalsContact C-N 3.3Å; A292-M294 PolarHBondContact O-N 2.74Å; A292-C295 WeakPolarHBondContact O-CB 3.47Å; A292-C295 PolarHBondContact O-N 3.43Å; A292-G296 PolarHBondContact O-N 3.31Å; A292-G296 VanDerWaalsContact O-N 3.13Å
293	S	98.9	Very high	98	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-55.3	-44.6	171	178.7	0	0	0	0	112	S272 S289 F290 G296 L297	S272-S293 WeakPolarHBondContact CB-O 3.34Å; S272-S293 WeakPolarHBondContact CB-OG 3.44Å; S272-S293 WeakPolarHBondContact O-CB 3.22Å; S272-S293 PolarHBondContact O-OG 3.49Å; S289-S293 PolarHBondContact O-N 3.31Å; F290-S293 WeakPolarHBondContact O-CA 3.29Å; F290-S293 WeakPolarHBondContact O-CB 3.16Å; F290-S293 PolarHBondContact O-N 3.24Å; F290-S293 VanDerWaalsContact O-N 3.14Å; S293-G296 PolarHBondContact O-N 3.02Å; S293-L297 PolarHBondContact O-N 3.5Å
294	M	98.8	Very high	97.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-69.9	-32	178.4	-65.6	-55.3	94.1	0	0	112.9	M166 L169 V170 F290 A291 A292 G296 L297 A298 G426	M166-M294 HydrophobicContact CE-CB 3.92Å; M166-M294 HydrophobicContact CE-CG 4.43Å; M166-M294 VanDerWaalsContact CE-O 3.32Å; M166-M294 WeakPolarHBondContact CE-O 3.45Å; M166-M294 HydrophobicContact CE-SD 3.94Å; L169-M294 HydrophobicContact CD2-CG 3.98Å; L169-M294 HydrophobicContact CD2-SD 3.84Å; L169-M294 HydrophobicContact CG-CG 4.43Å; V170-M294 HydrophobicContact CG2-CB 3.56Å; F290-M294 HydrophobicContact CD1-CG 4.05Å; F290-M294 HydrophobicContact CD2-CE 4.29Å; F290-M294 HydrophobicContact CE1-CE 4.3Å; F290-M294 HydrophobicContact CE1-CG 3.59Å; F290-M294 HydrophobicContact CE1-SD 3.95Å; F290-M294 HydrophobicContact CE2-CE 3.56Å; F290-M294 HydrophobicContact CE2-CG 4.48Å; F290-M294 HydrophobicContact CE2-SD 4.23Å; F290-M294 HydrophobicContact CZ-CE 3.57Å; F290-M294 HydrophobicContact CZ-CG 3.85Å; F290-M294 HydrophobicContact CZ-SD 3.6Å; F290-M294 WeakPolarHBondContact O-CG 3.39Å; F290-M294 PolarHBondContact O-N 3.35Å; A291-M294 PolarHBondContact O-N 2.97Å; A292-M294 VanDerWaalsContact C-N 3.3Å; A292-M294 PolarHBondContact O-N 2.74Å; M294-G296 VanDerWaalsContact C-N 3.33Å; M294-L297 HydrophobicContact CE-CB 4.23Å; M294-L297 HydrophobicContact CE-CD2 3.75Å; M294-L297 PolarHBondContact O-N 3.3Å; M294-L297 HydrophobicContact SD-CD2 3.91Å; M294-A298 WeakPolarHBondContact O-CB 3.43Å; M294-A298 PolarHBondContact O-N 3Å; M294-G426 WeakPolarHBondContact SD-CA 3.34Å
295	C	98.8	Very high	97.6	Very high	74 Å²	74	30.6 Å²	30.6	50%	0.5	20%	0.195	S	C	.	.	H	α-helix	trans	-58.6	-46.7	169.1	-66.1	0	0	0	0	111.3	V170 A291 A292 A298	V170-C295 VanDerWaalsContact CG1-SG 3.51Å; A291-C295 PolarHBondContact O-N 3.41Å; A291-C295 PolarHBondContact O-SG 2.92Å; A291-C295 VanDerWaalsContact O-SG 3.39Å; A292-C295 WeakPolarHBondContact O-CB 3.47Å; A292-C295 PolarHBondContact O-N 3.43Å; C295-A298 PolarHBondContact O-N 3.29Å
296	G	98.4	Very high	97.4	Very high	15 Å²	15	30.5 Å²	30.5	16%	0.155	20%	0.195	C	C	.	.	H	α-helix	trans	-65.1	-39.5	176.2	0	0	0	0	0	112.9	A292 S293 M294 A298 G299	A292-G296 PolarHBondContact O-N 3.31Å; A292-G296 VanDerWaalsContact O-N 3.13Å; S293-G296 PolarHBondContact O-N 3.02Å; M294-G296 VanDerWaalsContact C-N 3.33Å; G296-A298 VanDerWaalsContact C-N 3.32Å; G296-A298 PolarHBondContact O-N 2.9Å; G296-G299 PolarHBondContact O-N 3.01Å
297	L	98.6	Very high	97.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-66.2	-32.9	177.9	-167.3	61.9	0	0	0	112.8	M166 S293 M294 G299 G303 T422 F425	M166-L297 HydrophobicContact CE-CB 4.08Å; M166-L297 HydrophobicContact CE-CD2 4.27Å; M166-L297 HydrophobicContact CE-CG 4.35Å; S293-L297 PolarHBondContact O-N 3.5Å; M294-L297 HydrophobicContact CE-CB 4.23Å; M294-L297 HydrophobicContact CE-CD2 3.75Å; M294-L297 PolarHBondContact O-N 3.3Å; M294-L297 HydrophobicContact SD-CD2 3.91Å; L297-G299 PolarHBondContact O-N 3.49Å; L297-G303 WeakPolarHBondContact O-CA 3.38Å; L297-G303 PolarHBondContact O-N 3.1Å; L297-T422 HydrophobicContact CD2-CG2 4.21Å; L297-T422 HydrophobicContact CG-CG2 3.82Å; L297-F425 HydrophobicContact CD1-CD1 3.77Å; L297-F425 HydrophobicContact CD1-CE1 3.73Å; L297-F425 HydrophobicContact CD1-CG 4.4Å; L297-F425 HydrophobicContact CD1-CZ 4.33Å; L297-F425 HydrophobicContact CD2-CB 4.42Å; L297-F425 HydrophobicContact CD2-CD1 4.38Å; L297-F425 HydrophobicContact CD2-CG 4.28Å; L297-F425 HydrophobicContact CG-CD1 4.45Å
298	A	98.3	Very high	97.1	Very high	39 Å²	39	36.1 Å²	36.1	32%	0.322	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-11.3	175.7	0	0	0	0	0	113.5	M166 M294 C295 G296	M166-A298 HydrophobicContact CB-CB 3.87Å; M166-A298 HydrophobicContact CE-CB 4.23Å; M166-A298 HydrophobicContact CG-CB 4.24Å; M294-A298 WeakPolarHBondContact O-CB 3.43Å; M294-A298 PolarHBondContact O-N 3Å; C295-A298 PolarHBondContact O-N 3.29Å; G296-A298 VanDerWaalsContact C-N 3.32Å; G296-A298 PolarHBondContact O-N 2.9Å
299	G	97.5	Very high	97	Very high	25 Å²	25	33.6 Å²	33.6	26%	0.258	21%	0.208	S	C	.	.	S	Bend	trans	-62.8	133.9	176.6	0	0	0	0	0	112.2	G296 L297 L301 H302 G303	G296-G299 PolarHBondContact O-N 3.01Å; L297-G299 PolarHBondContact O-N 3.49Å; G299-L301 PolarHBondContact O-N 3.06Å; G299-L301 VanDerWaalsContact O-N 3.14Å; G299-H302 PolarHBondContact O-N 3.23Å; G299-G303 PolarHBondContact O-N 2.87Å
300	P	95.8	Very high	96.9	Very high	88 Å²	88	33.6 Å²	33.6	57%	0.571	21%	0.208	S	C	*	.	H	α-helix	trans	-54.9	-34.5	-178.8	-30.9	36.9	0	0	0	115.1	H302 L304	P300-H302 PolarHBondContact O-N 2.84Å; P300-L304 HydrophobicContact CB-CD1 3.83Å; P300-L304 HydrophobicContact CG-CD1 4.19Å
301	L	93.4	Very high	96.8	Very high	183 Å²	183	36.6 Å²	36.6	96%	0.958	23%	0.226	S	C	*	.	H	α-helix	trans	-76.8	1	179.1	-61	-179.8	0	0	0	114.2	G299	G299-L301 PolarHBondContact O-N 3.06Å; G299-L301 VanDerWaalsContact O-N 3.14Å
302	H	95.8	Very high	96.7	Very high	40 Å²	40	37.2 Å²	37.2	19%	0.185	23%	0.228	C	C	.	.	H	α-helix	trans	-127.4	-52.6	-177	-166	26.3	0	0	0	112.6	N270 S272 G299 P300	N270-H302 PolarHBondContact OD1-NE2 3.42Å; S272-H302 WeakPolarHBondContact CB-NE2 3.48Å; S272-H302 PolarHBondContact N-NE2 3.48Å; S272-H302 PolarHBondContact OG-NE2 2.91Å; G299-H302 PolarHBondContact O-N 3.23Å; P300-H302 PolarHBondContact O-N 2.84Å
303	G	94.8	Very high	96.6	Very high	4 Å²	4	36.1 Å²	36.1	4%	0.041	22%	0.218	C	C	.	.	H	α-helix	trans	-102.3	4.4	-168.5	0	0	0	0	0	117.4	L297 G299 Q307 T422	L297-G303 WeakPolarHBondContact O-CA 3.38Å; L297-G303 PolarHBondContact O-N 3.1Å; G299-G303 PolarHBondContact O-N 2.87Å; G303-Q307 PolarHBondContact O-OE1 3.47Å; G303-T422 PolarHBondContact O-OG1 3.39Å
304	L	95.2	Very high	96.5	Very high	43 Å²	43	38.3 Å²	38.3	23%	0.225	23%	0.23	C	C	.	.			trans	-109.5	-2.1	-171.9	-63.4	-172.8	0	0	0	115.7	P300 N306 Q307 E308	P300-L304 HydrophobicContact CB-CD1 3.83Å; P300-L304 HydrophobicContact CG-CD1 4.19Å; L304-N306 VanDerWaalsContact C-N 3.29Å; L304-N306 PolarHBondContact O-N 3.22Å; L304-Q307 PolarHBondContact O-N 3.42Å; L304-Q307 PolarHBondContact O-OE1 3.12Å; L304-E308 WeakPolarHBondContact O-CG 3.25Å; L304-E308 PolarHBondContact O-N 3.2Å
305	A	94.2	Very high	96.4	Very high	30 Å²	30	44.2 Å²	44.2	25%	0.248	26%	0.255	C	S	.	.	H	α-helix	trans	-56.7	-41	-174.6	0	0	0	0	0	113	E308 V309 D403	A305-E308 PolarHBondContact O-N 3.33Å; A305-V309 VanDerWaalsContact O-CG2 3.31Å; A305-V309 WeakPolarHBondContact O-CG2 3.32Å; A305-V309 PolarHBondContact O-N 2.9Å; A305-D403 HydrophobicContact CB-CB 3.76Å
306	N	93.9	Very high	96.4	Very high	6 Å²	6	40.7 Å²	40.7	3%	0.032	23%	0.231	C	C	.	.	H	α-helix	trans	-58.9	-48.3	175.2	178.7	-11.8	0	0	0	111.8	L304 E308 V309 L310 S406 G407	L304-N306 VanDerWaalsContact C-N 3.29Å; L304-N306 PolarHBondContact O-N 3.22Å; N306-E308 PolarHBondContact O-N 2.86Å; N306-V309 PolarHBondContact O-N 3.01Å; N306-L310 PolarHBondContact O-N 3.21Å; N306-L310 VanDerWaalsContact O-N 3.1Å; N306-S406 PolarHBondContact ND2-OG 3.49Å; N306-G407 WeakPolarHBondContact OD1-CA 3.48Å; N306-G407 PolarHBondContact OD1-N 3.41Å; N306-G407 VanDerWaalsContact OD1-N 3.09Å
307	Q	96.4	Very high	96.2	Very high	13 Å²	13	41.7 Å²	41.7	6%	0.061	23%	0.232	C	C	.	.	H	α-helix	trans	-64.2	-41.4	178	-64	94.8	-46.8	0	0	112.1	G303 L304 V309 L310 V311 M418 Y421 T422	G303-Q307 PolarHBondContact O-OE1 3.47Å; L304-Q307 PolarHBondContact O-N 3.42Å; L304-Q307 PolarHBondContact O-OE1 3.12Å; Q307-V309 VanDerWaalsContact C-N 3.32Å; Q307-V309 PolarHBondContact O-N 3.2Å; Q307-L310 PolarHBondContact O-N 3.16Å; Q307-V311 WeakPolarHBondContact O-CG2 3.28Å; Q307-V311 PolarHBondContact O-N 3.23Å; Q307-M418 HydrophobicContact CB-CB 4.5Å; Q307-M418 HydrophobicContact CG-CB 3.91Å; Q307-M418 WeakPolarHBondContact CG-O 3.4Å; Q307-M418 PolarHBondContact NE2-O 3.1Å; Q307-M418 VanDerWaalsContact NE2-O 3.14Å; Q307-Y421 HydrophobicContact CG-CD2 4.38Å; Q307-T422 PolarHBondContact NE2-OG1 2.86Å
308	E	96	Very high	96.2	Very high	105 Å²	105	49.3 Å²	49.3	49%	0.491	27%	0.268	S	S	.	.	H	α-helix	trans	-61.1	-41	177.7	-71.6	178.8	174.4	0	0	112	L304 A305 N306 V311 F312	L304-E308 WeakPolarHBondContact O-CG 3.25Å; L304-E308 PolarHBondContact O-N 3.2Å; A305-E308 PolarHBondContact O-N 3.33Å; N306-E308 PolarHBondContact O-N 2.86Å; E308-V311 PolarHBondContact O-N 3.49Å; E308-F312 WeakPolarHBondContact O-CB 3.22Å; E308-F312 PolarHBondContact O-N 2.91Å
309	V	96.6	Very high	96.1	Very high	7 Å²	7	53.8 Å²	53.8	4%	0.042	28%	0.28	C	S	.	.	H	α-helix	trans	-60.7	-48.6	173.5	168.5	0	0	0	0	110.9	A305 N306 Q307 V311 F312 L313 P344	A305-V309 VanDerWaalsContact O-CG2 3.31Å; A305-V309 WeakPolarHBondContact O-CG2 3.32Å; A305-V309 PolarHBondContact O-N 2.9Å; N306-V309 PolarHBondContact O-N 3.01Å; Q307-V309 VanDerWaalsContact C-N 3.32Å; Q307-V309 PolarHBondContact O-N 3.2Å; V309-V311 PolarHBondContact O-N 3.42Å; V309-F312 WeakPolarHBondContact O-CB 3.48Å; V309-F312 PolarHBondContact O-N 3.14Å; V309-L313 HydrophobicContact CG1-CD1 3.81Å; V309-L313 HydrophobicContact CG1-CG 4.26Å; V309-L313 VanDerWaalsContact O-CG 3.3Å; V309-L313 WeakPolarHBondContact O-CG 3.4Å; V309-L313 PolarHBondContact O-N 3.4Å; V309-P344 HydrophobicContact CG2-CB 3.71Å
310	L	96.8	Very high	96	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-63.4	-40.2	178.7	-81.9	-175.8	0	0	0	113.4	N306 Q307 F312 L313 N314 V408 Q411 M418 Y421	N306-L310 PolarHBondContact O-N 3.21Å; N306-L310 VanDerWaalsContact O-N 3.1Å; Q307-L310 PolarHBondContact O-N 3.16Å; L310-F312 VanDerWaalsContact C-N 3.28Å; L310-F312 PolarHBondContact O-N 3.11Å; L310-L313 HydrophobicContact CD2-CD1 4.25Å; L310-L313 PolarHBondContact O-N 2.92Å; L310-N314 WeakPolarHBondContact O-CB 3.49Å; L310-N314 PolarHBondContact O-N 2.83Å; L310-V408 HydrophobicContact CD2-CG2 4.22Å; L310-Q411 HydrophobicContact CD1-CG 3.65Å; L310-Q411 HydrophobicContact CD2-CG 3.95Å; L310-Q411 HydrophobicContact CG-CG 4.5Å; L310-M418 HydrophobicContact CB-CE 3.86Å; L310-M418 HydrophobicContact CB-SD 4.02Å; L310-M418 HydrophobicContact CD1-CE 4.13Å; L310-M418 HydrophobicContact CD1-CG 4.2Å; L310-M418 HydrophobicContact CD1-SD 4.34Å; L310-Y421 HydrophobicContact CD1-CD2 4.32Å; L310-Y421 HydrophobicContact CD1-CE2 3.35Å
311	V	97	Very high	96.1	Very high	63 Å²	63	51.1 Å²	51.1	38%	0.382	26%	0.264	S	S	.	.	H	α-helix	trans	-60.8	-41.3	175.1	170.1	0	0	0	0	110.5	Q307 E308 V309 K315 M418	Q307-V311 WeakPolarHBondContact O-CG2 3.28Å; Q307-V311 PolarHBondContact O-N 3.23Å; E308-V311 PolarHBondContact O-N 3.49Å; V309-V311 PolarHBondContact O-N 3.42Å; V311-K315 HydrophobicContact CG1-CD 4.22Å; V311-K315 WeakPolarHBondContact O-CB 3.41Å; V311-K315 WeakPolarHBondContact O-CG 3.49Å; V311-K315 PolarHBondContact O-N 3.43Å; V311-K315 VanDerWaalsContact O-N 3.1Å; V311-M418 HydrophobicContact CG2-SD 4.15Å
312	F	97.1	Very high	96	Very high	21 Å²	21	49 Å²	49	9%	0.092	25%	0.247	C	C	.	.	H	α-helix	trans	-63.5	-47	174.6	174.1	-94.4	0	0	0	112.1	E308 V309 L310 N314 K315 M316 Y332 T336 I343 P344 L381	E308-F312 WeakPolarHBondContact O-CB 3.22Å; E308-F312 PolarHBondContact O-N 2.91Å; V309-F312 WeakPolarHBondContact O-CB 3.48Å; V309-F312 PolarHBondContact O-N 3.14Å; L310-F312 VanDerWaalsContact C-N 3.28Å; L310-F312 PolarHBondContact O-N 3.11Å; F312-N314 PolarHBondContact O-N 3.39Å; F312-K315 PolarHBondContact O-N 3.27Å; F312-M316 HydrophobicContact CE1-CE 3.45Å; F312-M316 VanDerWaalsContact CE1-CE 3.45Å; F312-M316 HydrophobicContact CE1-SD 4.38Å; F312-M316 HydrophobicContact CE2-CE 4.33Å; F312-M316 HydrophobicContact CZ-CE 3.33Å; F312-M316 WeakPolarHBondContact O-CB 3.14Å; F312-M316 PolarHBondContact O-N 3.28Å; F312-Y332 HydrophobicContact CD2-CE1 4.5Å; F312-Y332 HydrophobicContact CE2-CD1 4.42Å; F312-Y332 AromaticContact CE2-CE1 3.72Å; F312-Y332 HydrophobicContact CE2-CE1 3.72Å; F312-Y332 HydrophobicContact CZ-CD1 4.29Å; F312-Y332 AromaticContact CZ-CE1 3.96Å; F312-Y332 HydrophobicContact CZ-CE1 3.96Å; F312-T336 HydrophobicContact CE2-CG2 4.12Å; F312-I343 HydrophobicContact CE1-CG2 4.29Å; F312-I343 HydrophobicContact CE2-CD1 4.29Å; F312-I343 HydrophobicContact CZ-CD1 4.02Å; F312-I343 HydrophobicContact CZ-CG2 4.24Å; F312-P344 HydrophobicContact CB-CG 3.9Å; F312-P344 HydrophobicContact CD2-CG 4.3Å; F312-P344 HydrophobicContact CG-CG 4.1Å; F312-L381 HydrophobicContact CE1-CD1 4.15Å
313	L	97.4	Very high	96	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.01	27%	0.271	C	S	.	.	H	α-helix	trans	-61.2	-43.4	178.8	-70	171.4	0	0	0	112.1	V309 L310 M316 Q317 L374 L377 V378 L381 V408	V309-L313 HydrophobicContact CG1-CD1 3.81Å; V309-L313 HydrophobicContact CG1-CG 4.26Å; V309-L313 VanDerWaalsContact O-CG 3.3Å; V309-L313 WeakPolarHBondContact O-CG 3.4Å; V309-L313 PolarHBondContact O-N 3.4Å; L310-L313 HydrophobicContact CD2-CD1 4.25Å; L310-L313 PolarHBondContact O-N 2.92Å; L313-M316 PolarHBondContact O-N 3.31Å; L313-Q317 WeakPolarHBondContact O-CB 3.27Å; L313-Q317 PolarHBondContact O-N 3.39Å; L313-L374 HydrophobicContact CB-CD2 4.35Å; L313-L377 HydrophobicContact CD2-CD2 3.99Å; L313-L377 HydrophobicContact CD2-CG 4.09Å; L313-V378 HydrophobicContact CD1-CG2 3.58Å; L313-V378 HydrophobicContact CD2-CG2 3.94Å; L313-V378 HydrophobicContact CG-CG2 4.44Å; L313-L381 HydrophobicContact CD2-CD1 3.47Å; L313-L381 VanDerWaalsContact CD2-CD1 3.47Å; L313-V408 HydrophobicContact CD1-CG2 3.78Å
314	N	96.1	Very high	96.1	Very high	47 Å²	47	53.3 Å²	53.3	25%	0.251	27%	0.271	S	S	.	.	H	α-helix	trans	-64.3	-47.2	177.9	-73	-14.5	0	0	0	111.5	L310 F312 M316 Q317 E318 M418	L310-N314 WeakPolarHBondContact O-CB 3.49Å; L310-N314 PolarHBondContact O-N 2.83Å; F312-N314 PolarHBondContact O-N 3.39Å; N314-M316 VanDerWaalsContact C-N 3.27Å; N314-M316 PolarHBondContact O-N 3.16Å; N314-Q317 PolarHBondContact O-N 3.03Å; N314-E318 WeakPolarHBondContact O-CG 3.4Å; N314-E318 PolarHBondContact O-N 3.39Å; N314-M418 WeakPolarHBondContact ND2-CE 3.42Å
315	K	96.9	Very high	96.2	Very high	123 Å²	123	54.6 Å²	54.6	54%	0.535	28%	0.28	S	S	.	.	H	α-helix	trans	-61	-36.3	175.1	-74.6	177.1	178.8	178	0	112.6	V311 F312 K319	V311-K315 HydrophobicContact CG1-CD 4.22Å; V311-K315 WeakPolarHBondContact O-CB 3.41Å; V311-K315 WeakPolarHBondContact O-CG 3.49Å; V311-K315 PolarHBondContact O-N 3.43Å; V311-K315 VanDerWaalsContact O-N 3.1Å; F312-K315 PolarHBondContact O-N 3.27Å; K315-K319 PolarHBondContact O-N 2.92Å
316	M	97.4	Very high	96.4	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-65.3	-52.7	174.8	-179.2	178	-78.5	0	0	110.1	F312 L313 N314 E318 K319 V320 V329 Y332 V333 L377 L381	F312-M316 HydrophobicContact CE1-CE 3.45Å; F312-M316 VanDerWaalsContact CE1-CE 3.45Å; F312-M316 HydrophobicContact CE1-SD 4.38Å; F312-M316 HydrophobicContact CE2-CE 4.33Å; F312-M316 HydrophobicContact CZ-CE 3.33Å; F312-M316 WeakPolarHBondContact O-CB 3.14Å; F312-M316 PolarHBondContact O-N 3.28Å; L313-M316 PolarHBondContact O-N 3.31Å; N314-M316 VanDerWaalsContact C-N 3.27Å; N314-M316 PolarHBondContact O-N 3.16Å; M316-E318 VanDerWaalsContact C-N 3.28Å; M316-E318 PolarHBondContact O-N 3.02Å; M316-K319 PolarHBondContact O-N 3.04Å; M316-V320 HydrophobicContact CG-CG2 3.94Å; M316-V320 VanDerWaalsContact O-CG2 3.28Å; M316-V320 WeakPolarHBondContact O-CG2 3.46Å; M316-V320 PolarHBondContact O-N 3.37Å; M316-V329 HydrophobicContact SD-CG1 4.33Å; M316-Y332 HydrophobicContact CB-CD1 4.47Å; M316-Y332 HydrophobicContact CB-CD2 4.44Å; M316-Y332 HydrophobicContact CB-CE1 4.1Å; M316-Y332 HydrophobicContact CB-CE2 4.07Å; M316-Y332 HydrophobicContact CE-CD1 3.15Å; M316-Y332 HydrophobicContact CE-CE1 3.62Å; M316-Y332 HydrophobicContact CE-CG 3.73Å; M316-Y332 HydrophobicContact CG-CD1 4.18Å; M316-Y332 HydrophobicContact CG-CD2 4.08Å; M316-Y332 HydrophobicContact CG-CE1 4.31Å; M316-Y332 HydrophobicContact CG-CE2 4.22Å; M316-Y332 HydrophobicContact CG-CG 4.06Å; M316-Y332 HydrophobicContact SD-CD1 4.49Å; M316-V333 HydrophobicContact CE-CG2 4.17Å; M316-L377 HydrophobicContact CB-CD2 4.27Å; M316-L377 HydrophobicContact CG-CD1 4.35Å; M316-L377 HydrophobicContact CG-CD2 4.09Å; M316-L377 HydrophobicContact SD-CD1 3.67Å; M316-L377 HydrophobicContact SD-CD2 3.95Å; M316-L377 HydrophobicContact SD-CG 4Å; M316-L381 HydrophobicContact CE-CD2 3.87Å; M316-L381 HydrophobicContact SD-CD1 4.27Å; M316-L381 HydrophobicContact SD-CD2 4.09Å; M316-L381 HydrophobicContact SD-CG 4.45Å
317	Q	96	Very high	96.5	Very high	37 Å²	37	61.6 Å²	61.6	17%	0.173	31%	0.309	C	S	.	.	H	α-helix	trans	-60	-35.7	179.7	-167.1	177.6	87.8	0	0	112.6	L313 N314 K319 G321 K322 L377	L313-Q317 WeakPolarHBondContact O-CB 3.27Å; L313-Q317 PolarHBondContact O-N 3.39Å; N314-Q317 PolarHBondContact O-N 3.03Å; Q317-K319 VanDerWaalsContact C-N 3.34Å; Q317-K319 PolarHBondContact O-N 3.36Å; Q317-G321 CarbonylContact O-C 3.41Å; Q317-G321 WeakPolarHBondContact O-CA 3.42Å; Q317-G321 PolarHBondContact O-N 3.38Å; Q317-K322 HydrophobicContact CG-CG 4.21Å; Q317-L377 HydrophobicContact CB-CD2 4.28Å
318	E	96.8	Very high	96.6	Very high	160 Å²	160	65.3 Å²	65.3	75%	0.748	33%	0.326	S	S	*	.	H	α-helix	trans	-61.6	-38.4	172.1	-76.4	172.7	-174	0	0	112.7	N314 M316	N314-E318 WeakPolarHBondContact O-CG 3.4Å; N314-E318 PolarHBondContact O-N 3.39Å; M316-E318 VanDerWaalsContact C-N 3.28Å; M316-E318 PolarHBondContact O-N 3.02Å
319	K	96.8	Very high	96.7	Very high	132 Å²	132	60.3 Å²	60.3	57%	0.574	30%	0.303	S	S	*	.	H	α-helix	trans	-82.9	-40.8	-178.2	-175.1	173	169.8	-163.5	0	113.3	K315 M316 Q317 Y332 D335	K315-K319 PolarHBondContact O-N 2.92Å; M316-K319 PolarHBondContact O-N 3.04Å; Q317-K319 VanDerWaalsContact C-N 3.34Å; Q317-K319 PolarHBondContact O-N 3.36Å; K319-Y332 HydrophobicContact CB-CD2 4.21Å; K319-Y332 HydrophobicContact CB-CE2 3.84Å; K319-Y332 HydrophobicContact CD-CD2 3.7Å; K319-Y332 HydrophobicContact CD-CE2 3.59Å; K319-Y332 HydrophobicContact CG-CD2 4.24Å; K319-Y332 HydrophobicContact CG-CE2 4.19Å; K319-D335 IonicContact NZ-OD2 2.66Å; K319-D335 PolarHBondContact NZ-OD2 3.32Å
320	V	96.8	Very high	96.8	Very high	25 Å²	25	65.5 Å²	65.5	15%	0.152	33%	0.325	C	S	.	.	H	α-helix	trans	-105.4	-6.3	-173.3	-55.8	0	0	0	0	114.1	M316 P324 Q328 Y332	M316-V320 HydrophobicContact CG-CG2 3.94Å; M316-V320 VanDerWaalsContact O-CG2 3.28Å; M316-V320 WeakPolarHBondContact O-CG2 3.46Å; M316-V320 PolarHBondContact O-N 3.37Å; V320-P324 HydrophobicContact CB-CB 3.79Å; V320-P324 HydrophobicContact CG2-CB 3.45Å; V320-P324 VanDerWaalsContact CG2-CB 3.45Å; V320-P324 HydrophobicContact CG2-CG 3.66Å; V320-Q328 HydrophobicContact CB-CB 4.38Å; V320-Q328 HydrophobicContact CG1-CB 4.39Å; V320-Y332 HydrophobicContact CG1-CD2 4.02Å
321	G	95.9	Very high	96.8	Very high	33 Å²	33	70.7 Å²	70.7	34%	0.34	35%	0.349	S	S	.	.			trans	86.6	178.7	-178	0	0	0	0	0	113.7	Q317 P324	Q317-G321 CarbonylContact O-C 3.41Å; Q317-G321 WeakPolarHBondContact O-CA 3.42Å; Q317-G321 PolarHBondContact O-N 3.38Å; G321-P324 WeakPolarHBondContact O-CD 3.43Å
322	K	93.2	Very high	96.9	Very high	138 Å²	138	69 Å²	69	60%	0.6	34%	0.337	S	S	*	.	S	Bend	trans	-76.5	-22.1	-175.6	-68.5	-173.9	177.4	-176	0	115	Q317 P373	Q317-K322 HydrophobicContact CG-CG 4.21Å; K322-P373 HydrophobicContact CB-CB 4.37Å
323	N	94.4	Very high	96.9	Very high	128 Å²	128	68 Å²	68	68%	0.684	33%	0.332	S	S	*	.	S	Bend	trans	-133.3	61.5	-178.9	-60.7	-61.3	0	0	0	109.9
324	P	96.9	Very high	96.8	Very high	7 Å²	7	70.5 Å²	70.5	5%	0.045	34%	0.344	C	S	.	.			trans	-69	150.7	-178.3	32.4	-35.7	0	0	0	111.1	V320 G321 Q328 V329 L377 Q380	V320-P324 HydrophobicContact CB-CB 3.79Å; V320-P324 HydrophobicContact CG2-CB 3.45Å; V320-P324 VanDerWaalsContact CG2-CB 3.45Å; V320-P324 HydrophobicContact CG2-CG 3.66Å; G321-P324 WeakPolarHBondContact O-CD 3.43Å; P324-Q328 VanDerWaalsContact CA-OE1 3.31Å; P324-Q328 HydrophobicContact CB-CB 4.12Å; P324-V329 HydrophobicContact CB-CG2 3.89Å; P324-V329 HydrophobicContact CG-CG2 3.56Å; P324-L377 HydrophobicContact CG-CD1 3.91Å; P324-Q380 PolarHBondContact O-NE2 3.33Å
325	T	97.6	Very high	96.9	Very high	70 Å²	70	71.1 Å²	71.1	43%	0.429	35%	0.347	S	S	.	.			trans	-72.1	159.8	169.3	74.9	0	0	0	0	110.7	E327 Q328 V329	T325-E327 PolarHBondContact O-N 3.48Å; T325-E327 PolarHBondContact OG1-N 3.17Å; T325-E327 PolarHBondContact OG1-OE2 2.93Å; T325-Q328 PolarHBondContact O-N 3.28Å; T325-Q328 PolarHBondContact OG1-N 2.96Å; T325-V329 PolarHBondContact O-N 2.89Å
326	D	97.6	Very high	96.9	Very high	46 Å²	46	65.6 Å²	65.6	25%	0.246	32%	0.324	C	S	.	.	H	α-helix	trans	-57.2	-34.1	175.6	-74.6	6	0	0	0	111.5	V329 K330 Q380 K383 I384	D326-V329 PolarHBondContact O-N 3.12Å; D326-K330 WeakPolarHBondContact O-CB 3.41Å; D326-K330 PolarHBondContact O-N 3.37Å; D326-Q380 PolarHBondContact OD1-NE2 3.17Å; D326-K383 IonicContact OD2-NZ 2.7Å; D326-K383 PolarHBondContact OD2-NZ 3.44Å; D326-I384 HydrophobicContact CB-CD1 3.98Å
327	E	97.6	Very high	96.8	Very high	136 Å²	136	67.1 Å²	67.1	64%	0.636	33%	0.332	S	S	*	.	H	α-helix	trans	-64.5	-41.2	174.7	-70.5	64.3	-137.8	0	0	112.5	T325 K330 Q331	T325-E327 PolarHBondContact O-N 3.48Å; T325-E327 PolarHBondContact OG1-N 3.17Å; T325-E327 PolarHBondContact OG1-OE2 2.93Å; E327-K330 PolarHBondContact O-N 2.64Å; E327-Q331 WeakPolarHBondContact O-CB 3.46Å; E327-Q331 PolarHBondContact O-N 3.27Å
328	Q	97.9	Very high	96.8	Very high	91 Å²	91	71.1 Å²	71.1	43%	0.425	36%	0.355	S	S	.	.	H	α-helix	trans	-67.2	-42.4	178.2	-69.6	174.6	-51.1	0	0	111.3	V320 P324 T325 Q331 Y332	V320-Q328 HydrophobicContact CB-CB 4.38Å; V320-Q328 HydrophobicContact CG1-CB 4.39Å; P324-Q328 VanDerWaalsContact CA-OE1 3.31Å; P324-Q328 HydrophobicContact CB-CB 4.12Å; T325-Q328 PolarHBondContact O-N 3.28Å; T325-Q328 PolarHBondContact OG1-N 2.96Å; Q328-Q331 PolarHBondContact O-N 2.97Å; Q328-Y332 PolarHBondContact O-N 3.26Å
329	V	98.1	Very high	96.8	Very high	0 Å²	0	67 Å²	67	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-64.3	-46.4	175.3	177.9	0	0	0	0	110.5	M316 P324 T325 D326 Q331 Y332 V333 L377 Q380 L381 I384	M316-V329 HydrophobicContact SD-CG1 4.33Å; P324-V329 HydrophobicContact CB-CG2 3.89Å; P324-V329 HydrophobicContact CG-CG2 3.56Å; T325-V329 PolarHBondContact O-N 2.89Å; D326-V329 PolarHBondContact O-N 3.12Å; V329-Q331 VanDerWaalsContact C-N 3.34Å; V329-Q331 PolarHBondContact O-N 3.13Å; V329-Y332 PolarHBondContact O-N 2.66Å; V329-V333 HydrophobicContact CG1-CG2 4.48Å; V329-V333 WeakPolarHBondContact O-CG2 3.32Å; V329-V333 PolarHBondContact O-N 3.36Å; V329-L377 HydrophobicContact CG2-CD1 3.89Å; V329-Q380 HydrophobicContact CG2-CB 4.48Å; V329-L381 HydrophobicContact CG1-CD2 3.76Å; V329-L381 HydrophobicContact CG1-CG 4.31Å; V329-I384 HydrophobicContact CB-CD1 3.74Å; V329-I384 HydrophobicContact CG1-CD1 3.69Å
330	K	97.8	Very high	96.6	Very high	116 Å²	116	64.1 Å²	64.1	50%	0.504	36%	0.356	S	S	.	.	H	α-helix	trans	-57.7	-45.5	175.7	176.9	174	-178.7	-176.8	0	111.8	D326 E327 V333 M334 I384 I388	D326-K330 WeakPolarHBondContact O-CB 3.41Å; D326-K330 PolarHBondContact O-N 3.37Å; E327-K330 PolarHBondContact O-N 2.64Å; K330-V333 PolarHBondContact O-N 3.27Å; K330-M334 HydrophobicContact CG-CG 4.49Å; K330-M334 VanDerWaalsContact O-CG 3.28Å; K330-M334 WeakPolarHBondContact O-CG 3.45Å; K330-M334 PolarHBondContact O-N 2.72Å; K330-I384 HydrophobicContact CB-CG2 3.96Å; K330-I384 HydrophobicContact CG-CG2 4.46Å; K330-I388 HydrophobicContact CG-CD1 4.07Å
331	Q	97.8	Very high	96.5	Very high	109 Å²	109	68.7 Å²	68.7	51%	0.509	38%	0.375	S	S	.	.	H	α-helix	trans	-62	-44.8	177.8	-172.9	61.3	51.9	0	0	111.1	E327 Q328 V329 V333 M334 D335	E327-Q331 WeakPolarHBondContact O-CB 3.46Å; E327-Q331 PolarHBondContact O-N 3.27Å; Q328-Q331 PolarHBondContact O-N 2.97Å; V329-Q331 VanDerWaalsContact C-N 3.34Å; V329-Q331 PolarHBondContact O-N 3.13Å; Q331-V333 PolarHBondContact O-N 2.94Å; Q331-M334 PolarHBondContact O-N 3.14Å; Q331-D335 PolarHBondContact NE2-OD1 3.22Å; Q331-D335 WeakPolarHBondContact O-CB 3.37Å; Q331-D335 PolarHBondContact O-N 2.99Å
332	Y	98	Very high	96.4	Very high	29 Å²	29	72.6 Å²	72.6	11%	0.114	39%	0.393	C	S	.	.	H	α-helix	trans	-59	-48	176.4	-170.1	-70.3	0	0	0	111.6	F312 M316 K319 V320 Q328 V329 M334 D335 T336	F312-Y332 HydrophobicContact CD2-CE1 4.5Å; F312-Y332 HydrophobicContact CE2-CD1 4.42Å; F312-Y332 AromaticContact CE2-CE1 3.72Å; F312-Y332 HydrophobicContact CE2-CE1 3.72Å; F312-Y332 HydrophobicContact CZ-CD1 4.29Å; F312-Y332 AromaticContact CZ-CE1 3.96Å; F312-Y332 HydrophobicContact CZ-CE1 3.96Å; M316-Y332 HydrophobicContact CB-CD1 4.47Å; M316-Y332 HydrophobicContact CB-CD2 4.44Å; M316-Y332 HydrophobicContact CB-CE1 4.1Å; M316-Y332 HydrophobicContact CB-CE2 4.07Å; M316-Y332 HydrophobicContact CE-CD1 3.15Å; M316-Y332 HydrophobicContact CE-CE1 3.62Å; M316-Y332 HydrophobicContact CE-CG 3.73Å; M316-Y332 HydrophobicContact CG-CD1 4.18Å; M316-Y332 HydrophobicContact CG-CD2 4.08Å; M316-Y332 HydrophobicContact CG-CE1 4.31Å; M316-Y332 HydrophobicContact CG-CE2 4.22Å; M316-Y332 HydrophobicContact CG-CG 4.06Å; M316-Y332 HydrophobicContact SD-CD1 4.49Å; K319-Y332 HydrophobicContact CB-CD2 4.21Å; K319-Y332 HydrophobicContact CB-CE2 3.84Å; K319-Y332 HydrophobicContact CD-CD2 3.7Å; K319-Y332 HydrophobicContact CD-CE2 3.59Å; K319-Y332 HydrophobicContact CG-CD2 4.24Å; K319-Y332 HydrophobicContact CG-CE2 4.19Å; V320-Y332 HydrophobicContact CG1-CD2 4.02Å; Q328-Y332 PolarHBondContact O-N 3.26Å; V329-Y332 PolarHBondContact O-N 2.66Å; Y332-M334 VanDerWaalsContact C-N 3.33Å; Y332-M334 PolarHBondContact O-N 3.08Å; Y332-D335 WeakPolarHBondContact O-CB 3.45Å; Y332-D335 PolarHBondContact O-N 3.44Å; Y332-T336 WeakPolarHBondContact CE1-OG1 3.34Å; Y332-T336 PolarHBondContact O-N 2.63Å; Y332-T336 PolarHBondContact O-OG1 2.78Å; Y332-T336 VanDerWaalsContact O-OG1 3.09Å
333	V	97.6	Very high	96.5	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-59	-44.4	178.6	168.8	0	0	0	0	111.2	M316 V329 K330 Q331 T336 L337 I343 L381 V385 I388	M316-V333 HydrophobicContact CE-CG2 4.17Å; V329-V333 HydrophobicContact CG1-CG2 4.48Å; V329-V333 WeakPolarHBondContact O-CG2 3.32Å; V329-V333 PolarHBondContact O-N 3.36Å; K330-V333 PolarHBondContact O-N 3.27Å; Q331-V333 PolarHBondContact O-N 2.94Å; V333-T336 PolarHBondContact O-N 3.13Å; V333-L337 HydrophobicContact CG1-CD1 3.87Å; V333-L337 VanDerWaalsContact O-CG 3.31Å; V333-L337 WeakPolarHBondContact O-CG 3.41Å; V333-L337 PolarHBondContact O-N 3.43Å; V333-I343 HydrophobicContact CB-CD1 4.45Å; V333-I343 HydrophobicContact CG1-CD1 3.96Å; V333-I343 HydrophobicContact CG1-CG1 4.14Å; V333-I343 HydrophobicContact CG2-CD1 4.47Å; V333-L381 HydrophobicContact CG2-CD2 3.66Å; V333-V385 HydrophobicContact CG1-CG2 4.21Å; V333-V385 HydrophobicContact CG2-CG2 3.97Å; V333-I388 HydrophobicContact CB-CD1 4.23Å; V333-I388 HydrophobicContact CG1-CD1 3.72Å; V333-I388 HydrophobicContact CG1-CG2 4.38Å
334	M	96.7	Very high	96.5	Very high	53 Å²	53	61.5 Å²	61.5	26%	0.261	34%	0.341	S	S	.	.	H	α-helix	trans	-64.5	-42.7	176.8	-69.8	-61.6	-61.3	0	0	112	K330 Q331 Y332 T336 L337 N338 I388	K330-M334 HydrophobicContact CG-CG 4.49Å; K330-M334 VanDerWaalsContact O-CG 3.28Å; K330-M334 WeakPolarHBondContact O-CG 3.45Å; K330-M334 PolarHBondContact O-N 2.72Å; Q331-M334 PolarHBondContact O-N 3.14Å; Y332-M334 VanDerWaalsContact C-N 3.33Å; Y332-M334 PolarHBondContact O-N 3.08Å; M334-T336 VanDerWaalsContact C-N 3.34Å; M334-T336 PolarHBondContact O-N 3.08Å; M334-L337 PolarHBondContact O-N 3.25Å; M334-N338 VanDerWaalsContact O-CB 3.25Å; M334-N338 WeakPolarHBondContact O-CB 3.41Å; M334-N338 PolarHBondContact O-N 3.3Å; M334-N338 PolarHBondContact O-ND2 3.48Å; M334-I388 HydrophobicContact CG-CD1 4.44Å; M334-I388 HydrophobicContact SD-CD1 4.26Å; M334-I388 HydrophobicContact SD-CG1 4.33Å; M334-I388 HydrophobicContact SD-CG2 3.52Å; M334-I388 VanDerWaalsContact SD-CG2 3.52Å
335	D	97.1	Very high	96.4	Very high	60 Å²	60	61.9 Å²	61.9	32%	0.321	35%	0.346	S	S	.	.	H	α-helix	trans	-58.7	-45.9	175.5	-69.4	-9.2	0	0	0	111	K319 Q331 Y332 N338 A339	K319-D335 IonicContact NZ-OD2 2.66Å; K319-D335 PolarHBondContact NZ-OD2 3.32Å; Q331-D335 PolarHBondContact NE2-OD1 3.22Å; Q331-D335 WeakPolarHBondContact O-CB 3.37Å; Q331-D335 PolarHBondContact O-N 2.99Å; Y332-D335 WeakPolarHBondContact O-CB 3.45Å; Y332-D335 PolarHBondContact O-N 3.44Å; D335-N338 PolarHBondContact O-N 2.9Å; D335-A339 WeakPolarHBondContact O-CB 3.34Å; D335-A339 PolarHBondContact O-N 2.79Å
336	T	96.6	Very high	96.2	Very high	8 Å²	8	59.8 Å²	59.8	5%	0.049	33%	0.331	C	S	.	.	H	α-helix	trans	-58.9	-49.6	177.2	-62.2	0	0	0	0	111.4	F312 Y332 V333 M334 A339 Q341 I343	F312-T336 HydrophobicContact CE2-CG2 4.12Å; Y332-T336 WeakPolarHBondContact CE1-OG1 3.34Å; Y332-T336 PolarHBondContact O-N 2.63Å; Y332-T336 PolarHBondContact O-OG1 2.78Å; Y332-T336 VanDerWaalsContact O-OG1 3.09Å; V333-T336 PolarHBondContact O-N 3.13Å; M334-T336 VanDerWaalsContact C-N 3.34Å; M334-T336 PolarHBondContact O-N 3.08Å; T336-A339 PolarHBondContact O-N 3.24Å; T336-Q341 HydrophobicContact CG2-CB 3.62Å; T336-Q341 WeakPolarHBondContact O-CB 3.4Å; T336-Q341 PolarHBondContact O-N 3.33Å; T336-Q341 VanDerWaalsContact O-N 3.12Å; T336-I343 HydrophobicContact CG2-CD1 3.73Å
337	L	95.8	Very high	95.6	Very high	31 Å²	31	59.3 Å²	59.3	16%	0.162	34%	0.337	C	S	.	.	H	α-helix	trans	-66.1	-39.7	-179.8	-68.8	168	0	0	0	112.1	V333 M334 A339 G340 I343 I388 L389 L392	V333-L337 HydrophobicContact CG1-CD1 3.87Å; V333-L337 VanDerWaalsContact O-CG 3.31Å; V333-L337 WeakPolarHBondContact O-CG 3.41Å; V333-L337 PolarHBondContact O-N 3.43Å; M334-L337 PolarHBondContact O-N 3.25Å; L337-A339 VanDerWaalsContact C-N 3.27Å; L337-A339 PolarHBondContact O-N 3.43Å; L337-G340 PolarHBondContact O-N 2.94Å; L337-I343 HydrophobicContact CD1-CG1 4.45Å; L337-I343 HydrophobicContact CD2-CD1 4.39Å; L337-I343 HydrophobicContact CD2-CG1 4.07Å; L337-I343 HydrophobicContact CG-CD1 4.19Å; L337-I343 HydrophobicContact CG-CG1 4.23Å; L337-I388 HydrophobicContact CD1-CG2 3.61Å; L337-L389 HydrophobicContact CD1-CD2 3.96Å; L337-L389 HydrophobicContact CD2-CD2 3.97Å; L337-L392 HydrophobicContact CD1-CD1 3.95Å
338	N	95.4	Very high	94.6	Very high	122 Å²	122	55.3 Å²	55.3	65%	0.652	32%	0.318	S	S	*	.	H	α-helix	trans	-67.4	-27.7	176.7	-72.8	-24.7	0	0	0	112.6	M334 D335 G340	M334-N338 VanDerWaalsContact O-CB 3.25Å; M334-N338 WeakPolarHBondContact O-CB 3.41Å; M334-N338 PolarHBondContact O-N 3.3Å; M334-N338 PolarHBondContact O-ND2 3.48Å; D335-N338 PolarHBondContact O-N 2.9Å; N338-G340 PolarHBondContact O-N 3.18Å
339	A	96.3	Very high	93.4	Very high	73 Å²	73	54.8 Å²	54.8	60%	0.603	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	3.6	171.1	0	0	0	0	0	113.5	D335 T336 L337 Q341	D335-A339 WeakPolarHBondContact O-CB 3.34Å; D335-A339 PolarHBondContact O-N 2.79Å; T336-A339 PolarHBondContact O-N 3.24Å; L337-A339 VanDerWaalsContact C-N 3.27Å; L337-A339 PolarHBondContact O-N 3.43Å; A339-Q341 VanDerWaalsContact C-N 3.27Å; A339-Q341 HydrophobicContact CB-CG 4.49Å; A339-Q341 PolarHBondContact O-N 3.08Å
340	G	93.4	Very high	92.5	Very high	71 Å²	71	58.4 Å²	58.4	73%	0.732	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	77	11.5	-179	0	0	0	0	0	114	L337 N338	L337-G340 PolarHBondContact O-N 2.94Å; N338-G340 PolarHBondContact O-N 3.18Å
341	Q	94.3	Very high	91.9	Very high	121 Å²	121	53.3 Å²	53.3	57%	0.565	33%	0.329	S	S	*	.			trans	-87.4	165.3	175.4	-60.1	-179.3	-14.8	0	0	110.7	T336 A339	T336-Q341 HydrophobicContact CG2-CB 3.62Å; T336-Q341 WeakPolarHBondContact O-CB 3.4Å; T336-Q341 PolarHBondContact O-N 3.33Å; T336-Q341 VanDerWaalsContact O-N 3.12Å; A339-Q341 VanDerWaalsContact C-N 3.27Å; A339-Q341 HydrophobicContact CB-CG 4.49Å; A339-Q341 PolarHBondContact O-N 3.08Å
342	V	93.4	Very high	91.4	Very high	116 Å²	116	55.7 Å²	55.7	70%	0.703	33%	0.334	S	S	*	.			trans	-103	161.8	174.5	-62.5	0	0	0	0	110.3	P344	V342-P344 WeakPolarHBondContact O-CD 3.45Å
343	I	96	Very high	91.1	Very high	5 Å²	5	57.8 Å²	57.8	3%	0.026	34%	0.343	C	S	.	.			trans	-91.8	110.6	169.9	-52.2	-54.9	0	0	0	107.9	F312 V333 T336 L337 G345 Y346 V385	F312-I343 HydrophobicContact CE1-CG2 4.29Å; F312-I343 HydrophobicContact CE2-CD1 4.29Å; F312-I343 HydrophobicContact CZ-CD1 4.02Å; F312-I343 HydrophobicContact CZ-CG2 4.24Å; V333-I343 HydrophobicContact CB-CD1 4.45Å; V333-I343 HydrophobicContact CG1-CD1 3.96Å; V333-I343 HydrophobicContact CG1-CG1 4.14Å; V333-I343 HydrophobicContact CG2-CD1 4.47Å; T336-I343 HydrophobicContact CG2-CD1 3.73Å; L337-I343 HydrophobicContact CD1-CG1 4.45Å; L337-I343 HydrophobicContact CD2-CD1 4.39Å; L337-I343 HydrophobicContact CD2-CG1 4.07Å; L337-I343 HydrophobicContact CG-CD1 4.19Å; L337-I343 HydrophobicContact CG-CG1 4.23Å; I343-G345 PolarHBondContact O-N 2.99Å; I343-Y346 HydrophobicContact CG2-CD2 3.75Å; I343-Y346 HydrophobicContact CG2-CE2 4.34Å; I343-Y346 HydrophobicContact CG2-CG 4.35Å; I343-Y346 PolarHBondContact O-N 3.28Å; I343-V385 HydrophobicContact CB-CG1 4.3Å; I343-V385 HydrophobicContact CG1-CG1 4.3Å; I343-V385 HydrophobicContact CG2-CG1 4.15Å; I343-V385 HydrophobicContact CG2-CG2 4.12Å
344	P	94.6	Very high	91	Very high	27 Å²	27	58.5 Å²	58.5	18%	0.175	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	139.9	-176.3	-25.7	36.9	0	0	0	111.9	V309 F312 V342 Y346	V309-P344 HydrophobicContact CG2-CB 3.71Å; F312-P344 HydrophobicContact CB-CG 3.9Å; F312-P344 HydrophobicContact CD2-CG 4.3Å; F312-P344 HydrophobicContact CG-CG 4.1Å; V342-P344 WeakPolarHBondContact O-CD 3.45Å; P344-Y346 VanDerWaalsContact C-N 3.28Å; P344-Y346 PolarHBondContact O-N 2.9Å
345	G	94.1	Very high	91	Very high	15 Å²	15	56.2 Å²	56.2	16%	0.155	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.9	-7.3	-178.7	0	0	0	0	0	115.5	I343 P400 N401	I343-G345 PolarHBondContact O-N 2.99Å; G345-P400 CarbonylContact O-C 3.57Å; G345-P400 WeakPolarHBondContact O-CA 3.31Å; G345-N401 PolarHBondContact O-N 2.9Å; G345-N401 PolarHBondContact O-OD1 2.63Å
346	Y	94.9	Very high	90.9	Very high	27 Å²	27	53.9 Å²	53.9	11%	0.106	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	141	177.5	-70.7	-102.7	0	0	0	112	I343 P344 L381 Y382 V385 P386 P400 A404	I343-Y346 HydrophobicContact CG2-CD2 3.75Å; I343-Y346 HydrophobicContact CG2-CE2 4.34Å; I343-Y346 HydrophobicContact CG2-CG 4.35Å; I343-Y346 PolarHBondContact O-N 3.28Å; P344-Y346 VanDerWaalsContact C-N 3.28Å; P344-Y346 PolarHBondContact O-N 2.9Å; Y346-L381 VanDerWaalsContact OH-C 3.27Å; Y346-L381 PolarHBondContact OH-O 3.29Å; Y346-Y382 VanDerWaalsContact OH-CA 3.23Å; Y346-Y382 WeakPolarHBondContact OH-CA 3.35Å; Y346-Y382 PolarHBondContact OH-N 3.22Å; Y346-Y382 VanDerWaalsContact OH-N 3.11Å; Y346-V385 HydrophobicContact CD1-CB 3.88Å; Y346-V385 HydrophobicContact CD1-CG1 3.44Å; Y346-V385 VanDerWaalsContact CD1-CG1 3.44Å; Y346-V385 HydrophobicContact CD2-CG1 4.17Å; Y346-V385 HydrophobicContact CE1-CB 3.75Å; Y346-V385 HydrophobicContact CE1-CG1 3.87Å; Y346-V385 HydrophobicContact CE1-CG2 4.49Å; Y346-V385 HydrophobicContact CG-CB 4.35Å; Y346-V385 HydrophobicContact CG-CG1 3.61Å; Y346-P386 HydrophobicContact CD1-CG 4.47Å; Y346-P386 HydrophobicContact CE1-CG 4.1Å; Y346-P400 HydrophobicContact CD1-CB 4.07Å; Y346-P400 HydrophobicContact CD1-CG 4.49Å; Y346-P400 HydrophobicContact CD2-CB 4.45Å; Y346-P400 HydrophobicContact CE1-CB 3.78Å; Y346-P400 HydrophobicContact CE1-CG 3.93Å; Y346-P400 HydrophobicContact CE2-CB 4.18Å; Y346-P400 HydrophobicContact CG-CB 4.39Å; Y346-A404 HydrophobicContact CE2-CB 4.45Å
347	G	84.2	Confident	91	Very high	36 Å²	36	54.4 Å²	54.4	37%	0.371	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	104.5	71.3	172.9	0	0	0	0	0	114.8	N397 W399	G347-N397 CarbonylContact C-O 3.55Å; G347-N397 VanDerWaalsContact CA-O 3.26Å; G347-N397 WeakPolarHBondContact CA-O 3.2Å; G347-W399 PolarHBondContact N-O 3.16Å
348	H	75.8	Confident	91	Very high	52 Å²	52	53 Å²	53	24%	0.241	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	144.6	-178.9	-77.8	73.7	0	0	0	113.3	V350 L351 N397 W399 N401	H348-V350 VanDerWaalsContact C-N 3.35Å; H348-L351 HydrophobicContact CB-CB 4.3Å; H348-N397 PolarHBondContact N-O 3.19Å; H348-N397 WeakPolarHBondContact O-CB 3.3Å; H348-N397 PolarHBondContact O-ND2 2.83Å; H348-W399 PolarHBondContact ND1-O 2.71Å; H348-N401 WeakPolarHBondContact CE1-CB 3.36Å; H348-N401 PolarHBondContact CE1-ND2 2.81Å; H348-N401 VanDerWaalsContact NE2-CB 3.32Å; H348-N401 WeakPolarHBondContact NE2-CB 3.29Å; H348-N401 PolarHBondContact NE2-ND2 3.29Å
349	A	74	Confident	91.1	Very high	80 Å²	80	49.3 Å²	49.3	66%	0.661	30%	0.3	S	S	*	.	S	Bend	trans	-72.3	-26.4	174.8	0	0	0	0	0	113.4
350	V	79.5	Confident	91.1	Very high	75 Å²	75	45.9 Å²	45.9	46%	0.455	27%	0.272	S	S	.	.	S	Bend	trans	-124.7	-47.7	-167.7	-177	0	0	0	0	113.6	L86 V88 H348 R352	L86-V350 HydrophobicContact CD2-CB 4.12Å; L86-V350 HydrophobicContact CD2-CG1 3.71Å; V88-V350 HydrophobicContact CG1-CG1 3.93Å; H348-V350 VanDerWaalsContact C-N 3.35Å; V350-R352 PolarHBondContact O-N 3.08Å
351	L	83.5	Confident	91.3	Very high	10 Å²	10	42.8 Å²	42.8	5%	0.052	24%	0.239	C	C	.	.			trans	-73.8	124.2	-171.3	-171.4	69.1	0	0	0	111.7	L86 H348 K353 D355 N397	L86-L351 HydrophobicContact CD1-CD1 4.35Å; H348-L351 HydrophobicContact CB-CB 4.3Å; L351-K353 WeakPolarHBondContact CD2-O 3.21Å; L351-K353 VanDerWaalsContact CG-O 3.28Å; L351-K353 WeakPolarHBondContact CG-O 3.42Å; L351-D355 VanDerWaalsContact CD2-CA 3.45Å; L351-D355 HydrophobicContact CD2-CB 3.87Å; L351-N397 WeakPolarHBondContact O-CB 3.43Å
352	R	88	Confident	91.4	Very high	159 Å²	159	38.5 Å²	38.5	60%	0.6	22%	0.219	S	C	*	.	S	Bend	trans	-87.5	-9.7	-172.2	-63.6	-179.8	177.5	-174.3	-2	115.5	V88 V350 N397 W399	V88-R352 PolarHBondContact O-N 2.92Å; V350-R352 PolarHBondContact O-N 3.08Å; R352-N397 WeakPolarHBondContact CA-OD1 3.44Å; R352-W399 PolarHBondContact O-NE1 3.49Å
353	K	91.9	Very high	91.6	Very high	72 Å²	72	36.9 Å²	36.9	31%	0.313	20%	0.204	S	C	.	.	S	Bend	trans	-133.2	176.3	177.2	70.3	177.7	-167.1	-159.8	0	110.5	N89 E90 L351 D355	N89-K353 WeakPolarHBondContact O-CD 3.31Å; N89-K353 WeakPolarHBondContact O-CE 3.42Å; N89-K353 PolarHBondContact O-NZ 2.78Å; E90-K353 IonicContact OE1-NZ 2.71Å; E90-K353 PolarHBondContact OE1-NZ 2.67Å; E90-K353 IonicContact OE2-NZ 2.96Å; E90-K353 PolarHBondContact OE2-NZ 2.95Å; L351-K353 WeakPolarHBondContact CD2-O 3.21Å; L351-K353 VanDerWaalsContact CG-O 3.28Å; L351-K353 WeakPolarHBondContact CG-O 3.42Å; K353-D355 PolarHBondContact O-N 3.47Å
354	T	95.3	Very high	91.6	Very high	15 Å²	15	36.6 Å²	36.6	9%	0.092	20%	0.203	C	C	.	.			trans	-52.5	133.5	171.7	-55.6	0	0	0	0	111.1	P356 F358 Y382 P400	T354-P356 WeakPolarHBondContact O-CD 3.28Å; T354-F358 HydrophobicContact CG2-CB 4.2Å; T354-F358 HydrophobicContact CG2-CD1 3.61Å; T354-F358 HydrophobicContact CG2-CE1 4.39Å; T354-F358 HydrophobicContact CG2-CG 4.19Å; T354-Y382 HydrophobicContact CG2-CE2 3.96Å; T354-Y382 WeakPolarHBondContact OG1-CE2 3.46Å; T354-Y382 PolarHBondContact OG1-OH 3.01Å; T354-P400 HydrophobicContact CG2-CG 4.1Å
355	D	96.2	Very high	91.8	Very high	5 Å²	5	35.3 Å²	35.3	3%	0.027	19%	0.194	C	C	.	.			trans	-56.5	122	172.7	-175.8	-11	0	0	0	110	L351 K353 R357 F358 T359 P400 N401 V402	L351-D355 VanDerWaalsContact CD2-CA 3.45Å; L351-D355 HydrophobicContact CD2-CB 3.87Å; K353-D355 PolarHBondContact O-N 3.47Å; D355-R357 PolarHBondContact O-N 3.24Å; D355-R357 WeakPolarHBondContact OD1-CB 3.47Å; D355-R357 WeakPolarHBondContact OD1-CG 3.37Å; D355-R357 PolarHBondContact OD1-N 3.22Å; D355-R357 IonicContact OD1-NE 3.65Å; D355-R357 PolarHBondContact OD1-NE 2.96Å; D355-R357 VanDerWaalsContact OD1-NE 3.12Å; D355-R357 IonicContact OD2-CZ 3.95Å; D355-R357 VanDerWaalsContact OD2-CZ 3.22Å; D355-R357 IonicContact OD2-NE 2.64Å; D355-R357 PolarHBondContact OD2-NE 3.4Å; D355-R357 IonicContact OD2-NH2 2.94Å; D355-R357 PolarHBondContact OD2-NH2 3.41Å; D355-F358 HydrophobicContact CB-CB 4.26Å; D355-F358 WeakPolarHBondContact O-CA 3.21Å; D355-F358 VanDerWaalsContact O-CB 3.26Å; D355-F358 WeakPolarHBondContact O-CB 3.5Å; D355-F358 PolarHBondContact O-N 3.34Å; D355-T359 PolarHBondContact O-N 3.15Å; D355-P400 WeakPolarHBondContact CB-O 3.28Å; D355-P400 PolarHBondContact N-O 3.22Å; D355-N401 HydrophobicContact CB-CB 4.43Å; D355-V402 PolarHBondContact OD2-N 3.25Å; D355-V402 VanDerWaalsContact OD2-N 3.13Å
356	P	96.7	Very high	91.9	Very high	12 Å²	12	39 Å²	39	8%	0.078	21%	0.207	C	C	.	.	H	α-helix	trans	-54.6	-29.9	177.8	-24.5	31.7	0	0	0	113	E90 I99 T354 F358 T359 C360	E90-P356 WeakPolarHBondContact O-CG 3.36Å; I99-P356 HydrophobicContact CB-CB 3.84Å; I99-P356 HydrophobicContact CG1-CB 3.99Å; I99-P356 HydrophobicContact CG2-CB 4.48Å; T354-P356 WeakPolarHBondContact O-CD 3.28Å; P356-F358 VanDerWaalsContact C-N 3.32Å; P356-F358 PolarHBondContact O-N 2.82Å; P356-T359 WeakPolarHBondContact O-CB 3.5Å; P356-T359 PolarHBondContact O-N 3.18Å; P356-C360 PolarHBondContact O-N 2.92Å; P356-C360 PolarHBondContact O-SG 3.13Å
357	R	97.2	Very high	92	Very high	19 Å²	19	43.3 Å²	43.3	7%	0.072	22%	0.223	C	C	.	.	H	α-helix	trans	-66.8	-33.5	176.3	-57.7	176.6	-65.5	167.3	5.2	112.3	I92 I99 F262 D355 A361 V402	I92-R357 HydrophobicContact CG2-CG 4.39Å; I99-R357 HydrophobicContact CD1-CG 3.94Å; I99-R357 HydrophobicContact CG1-CG 3.89Å; F262-R357 HydrophobicContact CB-CB 4.49Å; F262-R357 HydrophobicContact CB-CG 4.12Å; F262-R357 VanDerWaalsContact O-CD 3.24Å; F262-R357 WeakPolarHBondContact O-CD 3.36Å; D355-R357 PolarHBondContact O-N 3.24Å; D355-R357 WeakPolarHBondContact OD1-CB 3.47Å; D355-R357 WeakPolarHBondContact OD1-CG 3.37Å; D355-R357 PolarHBondContact OD1-N 3.22Å; D355-R357 IonicContact OD1-NE 3.65Å; D355-R357 PolarHBondContact OD1-NE 2.96Å; D355-R357 VanDerWaalsContact OD1-NE 3.12Å; D355-R357 IonicContact OD2-CZ 3.95Å; D355-R357 VanDerWaalsContact OD2-CZ 3.22Å; D355-R357 IonicContact OD2-NE 2.64Å; D355-R357 PolarHBondContact OD2-NE 3.4Å; D355-R357 IonicContact OD2-NH2 2.94Å; D355-R357 PolarHBondContact OD2-NH2 3.41Å; R357-A361 PolarHBondContact O-N 3.37Å; R357-V402 HydrophobicContact CB-CB 3.7Å; R357-V402 HydrophobicContact CB-CG2 3.69Å
358	F	97.1	Very high	92.6	Very high	1 Å²	1	45 Å²	45	0%	0.004	22%	0.222	C	C	.	.	H	α-helix	trans	-65.4	-47.1	170.3	176.3	-83.3	0	0	0	110.3	T354 D355 P356 C360 A361 Q362 V378 Y382 P400 N401 A404 H405	T354-F358 HydrophobicContact CG2-CB 4.2Å; T354-F358 HydrophobicContact CG2-CD1 3.61Å; T354-F358 HydrophobicContact CG2-CE1 4.39Å; T354-F358 HydrophobicContact CG2-CG 4.19Å; D355-F358 HydrophobicContact CB-CB 4.26Å; D355-F358 WeakPolarHBondContact O-CA 3.21Å; D355-F358 VanDerWaalsContact O-CB 3.26Å; D355-F358 WeakPolarHBondContact O-CB 3.5Å; D355-F358 PolarHBondContact O-N 3.34Å; P356-F358 VanDerWaalsContact C-N 3.32Å; P356-F358 PolarHBondContact O-N 2.82Å; F358-C360 VanDerWaalsContact C-N 3.34Å; F358-C360 PolarHBondContact O-N 3.08Å; F358-A361 WeakPolarHBondContact O-CB 3.2Å; F358-A361 PolarHBondContact O-N 3.12Å; F358-Q362 PolarHBondContact O-N 3.29Å; F358-V378 HydrophobicContact CE2-CG1 4.11Å; F358-V378 HydrophobicContact CZ-CG1 4.12Å; F358-Y382 HydrophobicContact CE1-CD1 4.35Å; F358-Y382 AromaticContact CE1-CD2 3.84Å; F358-Y382 HydrophobicContact CE1-CD2 3.84Å; F358-Y382 HydrophobicContact CE1-CE2 4.15Å; F358-Y382 AromaticContact CE1-CG 3.94Å; F358-Y382 HydrophobicContact CE1-CG 3.94Å; F358-Y382 HydrophobicContact CZ-CD2 4.14Å; F358-Y382 HydrophobicContact CZ-CG 4.15Å; F358-P400 HydrophobicContact CD1-CG 3.92Å; F358-P400 HydrophobicContact CD2-CB 3.76Å; F358-P400 HydrophobicContact CD2-CG 3.84Å; F358-P400 HydrophobicContact CE1-CG 3.9Å; F358-P400 HydrophobicContact CE2-CB 3.8Å; F358-P400 HydrophobicContact CE2-CG 3.81Å; F358-P400 HydrophobicContact CG-CB 4.24Å; F358-P400 HydrophobicContact CG-CG 3.9Å; F358-P400 HydrophobicContact CZ-CB 4.32Å; F358-P400 HydrophobicContact CZ-CG 3.84Å; F358-N401 VanDerWaalsContact CD2-O 3.31Å; F358-N401 WeakPolarHBondContact CD2-O 3.38Å; F358-A404 HydrophobicContact CD2-CB 3.95Å; F358-A404 HydrophobicContact CE2-CB 3.87Å; F358-H405 HydrophobicContact CD2-CB 3.69Å; F358-H405 AromaticContact CD2-CD2 3.95Å; F358-H405 HydrophobicContact CE2-CB 3.88Å; F358-H405 AromaticContact CE2-CD2 3.61Å; F358-H405 HydrophobicContact CG-CB 4.5Å; F358-H405 AromaticContact CZ-CD2 3.72Å
359	T	97	Very high	93.5	Very high	44 Å²	44	43.1 Å²	43.1	27%	0.27	21%	0.213	S	C	.	.	H	α-helix	trans	-58.5	-44.6	179.7	-57.6	0	0	0	0	111.9	D355 P356 A361 Q362 E363	D355-T359 PolarHBondContact O-N 3.15Å; P356-T359 WeakPolarHBondContact O-CB 3.5Å; P356-T359 PolarHBondContact O-N 3.18Å; T359-A361 PolarHBondContact O-N 3.47Å; T359-Q362 WeakPolarHBondContact O-CB 3.31Å; T359-Q362 PolarHBondContact O-N 2.9Å; T359-E363 WeakPolarHBondContact O-CG 3.22Å; T359-E363 PolarHBondContact O-N 3.32Å
360	C	96.1	Very high	94.6	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.014	20%	0.199	C	C	.	.	H	α-helix	trans	-66.5	-36.2	178.1	-57.3	0	0	0	0	113.1	I99 Q103 F262 P356 F358 Q362 E363 F364	I99-C360 WeakPolarHBondContact CG2-SG 3.26Å; Q103-C360 PolarHBondContact OE1-SG 3.38Å; F262-C360 HydrophobicContact CD2-CB 4.12Å; F262-C360 HydrophobicContact CE2-CB 3.44Å; F262-C360 VanDerWaalsContact CE2-CB 3.44Å; F262-C360 HydrophobicContact CZ-CB 4.38Å; P356-C360 PolarHBondContact O-N 2.92Å; P356-C360 PolarHBondContact O-SG 3.13Å; F358-C360 VanDerWaalsContact C-N 3.34Å; F358-C360 PolarHBondContact O-N 3.08Å; C360-Q362 VanDerWaalsContact C-N 3.29Å; C360-E363 PolarHBondContact O-N 2.96Å; C360-F364 WeakPolarHBondContact O-CB 3.37Å; C360-F364 PolarHBondContact O-N 3.28Å
361	A	96.8	Very high	95.4	Very high	5 Å²	5	44.2 Å²	44.2	4%	0.041	21%	0.208	C	C	.	.	H	α-helix	trans	-63.3	-39	173.1	0	0	0	0	0	111.3	R357 F358 T359 F364 C365 H405 L409	R357-A361 PolarHBondContact O-N 3.37Å; F358-A361 WeakPolarHBondContact O-CB 3.2Å; F358-A361 PolarHBondContact O-N 3.12Å; T359-A361 PolarHBondContact O-N 3.47Å; A361-F364 WeakPolarHBondContact O-CB 3.27Å; A361-F364 PolarHBondContact O-N 3.43Å; A361-C365 PolarHBondContact O-N 3.06Å; A361-C365 PolarHBondContact O-SG 2.97Å; A361-H405 HydrophobicContact CB-CB 3.89Å; A361-L409 HydrophobicContact CB-CD1 3.93Å
362	Q	96.9	Very high	96	Very high	31 Å²	31	45 Å²	45	15%	0.145	21%	0.213	C	C	.	.	H	α-helix	trans	-63	-50.1	174.6	-170.7	-172.5	-32.1	0	0	111.6	F358 T359 C360 F364 C365 E366 Y375 H405	F358-Q362 PolarHBondContact O-N 3.29Å; T359-Q362 WeakPolarHBondContact O-CB 3.31Å; T359-Q362 PolarHBondContact O-N 2.9Å; C360-Q362 VanDerWaalsContact C-N 3.29Å; Q362-F364 PolarHBondContact O-N 2.67Å; Q362-C365 PolarHBondContact O-N 3.43Å; Q362-C365 VanDerWaalsContact O-N 3.1Å; Q362-E366 PolarHBondContact NE2-OE1 3.39Å; Q362-E366 WeakPolarHBondContact O-CG 3.44Å; Q362-E366 PolarHBondContact O-N 3.39Å; Q362-Y375 HydrophobicContact CG-CE2 4.2Å; Q362-H405 VanDerWaalsContact CA-NE2 3.33Å; Q362-H405 WeakPolarHBondContact CA-NE2 3.31Å
363	E	97.2	Very high	96.4	Very high	82 Å²	82	39.6 Å²	39.6	38%	0.383	20%	0.198	S	C	.	.	H	α-helix	trans	-60	-31.2	176.7	-70.5	172.7	-178.8	0	0	112.7	T359 C360 R367	T359-E363 WeakPolarHBondContact O-CG 3.22Å; T359-E363 PolarHBondContact O-N 3.32Å; C360-E363 PolarHBondContact O-N 2.96Å; E363-R367 WeakPolarHBondContact O-CG 3.49Å; E363-R367 PolarHBondContact O-N 3.13Å; E363-R367 PolarHBondContact O-NE 2.93Å
364	F	97.6	Very high	96.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-66.4	-50.6	172.2	-169.9	-82.4	0	0	0	111.1	E114 E254 M255 L258 C360 A361 Q362 E366 R367 H368 F369 L409 Y413	E114-F364 HydrophobicContact CG-CD2 4.1Å; E114-F364 HydrophobicContact CG-CE2 3.93Å; E254-F364 HydrophobicContact CB-CE2 3.96Å; E254-F364 HydrophobicContact CB-CZ 4.15Å; M255-F364 HydrophobicContact CB-CE1 3.75Å; M255-F364 HydrophobicContact CB-CE2 4.32Å; M255-F364 HydrophobicContact CB-CZ 3.58Å; M255-F364 HydrophobicContact CG-CE1 4.17Å; M255-F364 HydrophobicContact CG-CZ 4.43Å; L258-F364 HydrophobicContact CD2-CB 3.83Å; L258-F364 HydrophobicContact CD2-CD2 3.74Å; L258-F364 HydrophobicContact CD2-CG 3.95Å; C360-F364 WeakPolarHBondContact O-CB 3.37Å; C360-F364 PolarHBondContact O-N 3.28Å; A361-F364 WeakPolarHBondContact O-CB 3.27Å; A361-F364 PolarHBondContact O-N 3.43Å; Q362-F364 PolarHBondContact O-N 2.67Å; F364-E366 VanDerWaalsContact C-N 3.33Å; F364-E366 PolarHBondContact O-N 3.05Å; F364-R367 PolarHBondContact O-N 2.86Å; F364-H368 HydrophobicContact CD1-CB 4.43Å; F364-H368 AromaticContact CD1-CD2 3.79Å; F364-H368 AromaticContact CD2-CD2 3.78Å; F364-H368 HydrophobicContact CE1-CB 4.06Å; F364-H368 AromaticContact CE1-CD2 3.55Å; F364-H368 AromaticContact CE1-CG 3.86Å; F364-H368 AromaticContact CE2-CD2 3.57Å; F364-H368 AromaticContact CE2-NE2 3.59Å; F364-H368 AromaticContact CG-CD2 3.88Å; F364-H368 AromaticContact CZ-CD2 3.44Å; F364-H368 VanDerWaalsContact CZ-CD2 3.44Å; F364-H368 WeakPolarHBondContact CZ-CD2 3.41Å; F364-H368 AromaticContact CZ-CG 3.92Å; F364-H368 AromaticContact CZ-NE2 3.74Å; F364-H368 PolarHBondContact O-CD2 2.78Å; F364-H368 VanDerWaalsContact O-CD2 3.26Å; F364-H368 PolarHBondContact O-N 2.82Å; F364-F369 HydrophobicContact CD1-CE1 4.13Å; F364-F369 AromaticContact CE1-CE1 3.97Å; F364-F369 HydrophobicContact CE1-CE1 3.97Å; F364-L409 HydrophobicContact CD1-CD2 3.88Å; F364-Y413 HydrophobicContact CE1-CE2 4.07Å
365	C	97.2	Very high	96.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-59.4	-41.8	177.1	-70.2	0	0	0	0	112.9	A361 Q362 R367 H368 F369 P370 Y375 H405 L409	A361-C365 PolarHBondContact O-N 3.06Å; A361-C365 PolarHBondContact O-SG 2.97Å; Q362-C365 PolarHBondContact O-N 3.43Å; Q362-C365 VanDerWaalsContact O-N 3.1Å; C365-R367 PolarHBondContact O-N 3.4Å; C365-H368 PolarHBondContact O-N 2.88Å; C365-F369 HydrophobicContact CB-CD2 4.32Å; C365-F369 HydrophobicContact CB-CE2 3.98Å; C365-F369 HydrophobicContact CB-CZ 4.36Å; C365-F369 CarbonylContact O-C 3.56Å; C365-F369 PolarHBondContact O-N 3.28Å; C365-F369 WeakPolarHBondContact SG-CE2 3.43Å; C365-F369 WeakPolarHBondContact SG-CZ 3.48Å; C365-P370 VanDerWaalsContact O-N 3.13Å; C365-Y375 HydrophobicContact CB-CD1 4.12Å; C365-Y375 HydrophobicContact CB-CD2 3.31Å; C365-Y375 HydrophobicContact CB-CE1 4.2Å; C365-Y375 HydrophobicContact CB-CE2 3.39Å; C365-Y375 HydrophobicContact CB-CG 3.7Å; C365-H405 PolarHBondContact SG-CE1 3.1Å; C365-L409 WeakPolarHBondContact SG-CD2 3.16Å
366	E	96.9	Very high	96.7	Very high	92 Å²	92	40.4 Å²	40.4	43%	0.43	20%	0.2	S	C	.	.	H	α-helix	trans	-58.5	-36.8	178.5	-73	174.4	-174.1	0	0	112.2	Q362 F364 Y375	Q362-E366 PolarHBondContact NE2-OE1 3.39Å; Q362-E366 WeakPolarHBondContact O-CG 3.44Å; Q362-E366 PolarHBondContact O-N 3.39Å; F364-E366 VanDerWaalsContact C-N 3.33Å; F364-E366 PolarHBondContact O-N 3.05Å; E366-Y375 WeakPolarHBondContact CG-OH 3.32Å; E366-Y375 PolarHBondContact OE1-OH 2.91Å
367	R	96.3	Very high	96.7	Very high	117 Å²	117	39.9 Å²	39.9	44%	0.442	20%	0.197	S	C	.	.	H	α-helix	trans	-80.3	-39.6	178.6	-73.2	-176.7	-68.3	148.4	-2.9	113.6	E114 E363 F364 C365	E114-R367 IonicContact OE1-CZ 3.12Å; E114-R367 IonicContact OE1-NH1 2.7Å; E114-R367 PolarHBondContact OE1-NH1 2.95Å; E114-R367 VanDerWaalsContact OE1-NH1 3.14Å; E114-R367 IonicContact OE1-NH2 2.72Å; E114-R367 PolarHBondContact OE1-NH2 3.04Å; E363-R367 WeakPolarHBondContact O-CG 3.49Å; E363-R367 PolarHBondContact O-N 3.13Å; E363-R367 PolarHBondContact O-NE 2.93Å; F364-R367 PolarHBondContact O-N 2.86Å; C365-R367 PolarHBondContact O-N 3.4Å
368	H	96.5	Very high	96.7	Very high	72 Å²	72	39.1 Å²	39.1	33%	0.333	19%	0.194	S	C	.	.	H	α-helix	trans	-99.7	-37.4	-168	-69.9	-80.1	0	0	0	113.9	F364 C365	F364-H368 HydrophobicContact CD1-CB 4.43Å; F364-H368 AromaticContact CD1-CD2 3.79Å; F364-H368 AromaticContact CD2-CD2 3.78Å; F364-H368 HydrophobicContact CE1-CB 4.06Å; F364-H368 AromaticContact CE1-CD2 3.55Å; F364-H368 AromaticContact CE1-CG 3.86Å; F364-H368 AromaticContact CE2-CD2 3.57Å; F364-H368 AromaticContact CE2-NE2 3.59Å; F364-H368 AromaticContact CG-CD2 3.88Å; F364-H368 AromaticContact CZ-CD2 3.44Å; F364-H368 VanDerWaalsContact CZ-CD2 3.44Å; F364-H368 WeakPolarHBondContact CZ-CD2 3.41Å; F364-H368 AromaticContact CZ-CG 3.92Å; F364-H368 AromaticContact CZ-NE2 3.74Å; F364-H368 PolarHBondContact O-CD2 2.78Å; F364-H368 VanDerWaalsContact O-CD2 3.26Å; F364-H368 PolarHBondContact O-N 2.82Å; C365-H368 PolarHBondContact O-N 2.88Å
369	F	96.1	Very high	96.7	Very high	12 Å²	12	40.6 Å²	40.6	5%	0.053	21%	0.207	C	C	.	.			trans	-153.2	59.1	-176.1	49	-91.7	0	0	0	113.7	F364 C365 N371 D372 L409 H412 Y413	F364-F369 HydrophobicContact CD1-CE1 4.13Å; F364-F369 AromaticContact CE1-CE1 3.97Å; F364-F369 HydrophobicContact CE1-CE1 3.97Å; C365-F369 HydrophobicContact CB-CD2 4.32Å; C365-F369 HydrophobicContact CB-CE2 3.98Å; C365-F369 HydrophobicContact CB-CZ 4.36Å; C365-F369 CarbonylContact O-C 3.56Å; C365-F369 PolarHBondContact O-N 3.28Å; C365-F369 WeakPolarHBondContact SG-CE2 3.43Å; C365-F369 WeakPolarHBondContact SG-CZ 3.48Å; F369-N371 PolarHBondContact O-N 3.02Å; F369-D372 HydrophobicContact CB-CB 4.44Å; F369-D372 HydrophobicContact CD2-CB 3.75Å; F369-D372 WeakPolarHBondContact O-CB 3.48Å; F369-D372 PolarHBondContact O-N 3.32Å; F369-D372 VanDerWaalsContact O-N 3.1Å; F369-L409 HydrophobicContact CZ-CD2 3.81Å; F369-H412 WeakPolarHBondContact CB-CE1 3.31Å; F369-H412 VanDerWaalsContact CB-NE2 3.35Å; F369-H412 WeakPolarHBondContact CB-NE2 3.45Å; F369-H412 AromaticContact CD1-CD2 3.22Å; F369-H412 WeakPolarHBondContact CD1-CD2 3.25Å; F369-H412 AromaticContact CD1-CG 3.74Å; F369-H412 AromaticContact CD1-NE2 3.42Å; F369-H412 WeakPolarHBondContact CD1-NE2 3.47Å; F369-H412 HydrophobicContact CD2-CB 4.15Å; F369-H412 AromaticContact CD2-CD2 3.98Å; F369-H412 AromaticContact CD2-CE1 3.98Å; F369-H412 AromaticContact CD2-CG 3.61Å; F369-H412 AromaticContact CD2-ND1 3.62Å; F369-H412 HydrophobicContact CE1-CB 4.28Å; F369-H412 AromaticContact CE1-CD2 3.52Å; F369-H412 AromaticContact CE1-CG 3.89Å; F369-H412 HydrophobicContact CE2-CB 3.78Å; F369-H412 AromaticContact CE2-CG 3.73Å; F369-H412 AromaticContact CG-CD2 3.48Å; F369-H412 VanDerWaalsContact CG-CD2 3.48Å; F369-H412 WeakPolarHBondContact CG-CD2 3.37Å; F369-H412 AromaticContact CG-CE1 3.51Å; F369-H412 AromaticContact CG-CG 3.6Å; F369-H412 AromaticContact CG-ND1 3.61Å; F369-H412 AromaticContact CG-NE2 3.41Å; F369-H412 WeakPolarHBondContact CG-NE2 3.46Å; F369-H412 HydrophobicContact CZ-CB 3.85Å; F369-H412 AromaticContact CZ-CD2 3.98Å; F369-H412 AromaticContact CZ-CG 3.87Å; F369-Y413 HydrophobicContact CD1-CE2 4.38Å; F369-Y413 AromaticContact CE1-CE2 3.66Å; F369-Y413 HydrophobicContact CE1-CE2 3.66Å; F369-Y413 AromaticContact CE1-CZ 3.98Å; F369-Y413 HydrophobicContact CZ-CE2 4.44Å
370	P	96.5	Very high	96.7	Very high	59 Å²	59	40.1 Å²	40.1	38%	0.383	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-12.5	-176.1	27.1	-36.7	0	0	0	114.1	C365 Y375 K376	C365-P370 VanDerWaalsContact O-N 3.13Å; P370-Y375 HydrophobicContact CB-CE1 4.49Å; P370-K376 WeakPolarHBondContact O-CE 3.38Å
371	N	96.1	Very high	96.8	Very high	119 Å²	119	40.3 Å²	40.3	64%	0.636	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-2.6	-178.7	-74.1	-50.9	0	0	0	114.7	F369 K376	F369-N371 PolarHBondContact O-N 3.02Å; N371-K376 PolarHBondContact OD1-NZ 3.36Å
372	D	96.4	Very high	96.8	Very high	28 Å²	28	43.3 Å²	43.3	15%	0.15	21%	0.213	C	C	.	.			trans	-61.4	127.3	178.3	-175.6	-72.2	0	0	0	111	F369 L374 Y375 K376 H412	F369-D372 HydrophobicContact CB-CB 4.44Å; F369-D372 HydrophobicContact CD2-CB 3.75Å; F369-D372 WeakPolarHBondContact O-CB 3.48Å; F369-D372 PolarHBondContact O-N 3.32Å; F369-D372 VanDerWaalsContact O-N 3.1Å; D372-L374 VanDerWaalsContact C-N 3.34Å; D372-L374 PolarHBondContact O-N 2.55Å; D372-L374 WeakPolarHBondContact OD1-CA 3.37Å; D372-L374 WeakPolarHBondContact OD1-CB 3.47Å; D372-L374 PolarHBondContact OD1-N 2.95Å; D372-Y375 PolarHBondContact O-N 2.96Å; D372-Y375 PolarHBondContact OD1-N 3.49Å; D372-Y375 VanDerWaalsContact OD1-N 3.15Å; D372-K376 PolarHBondContact O-N 3.34Å; D372-H412 IonicContact OD2-CE1 3.78Å; D372-H412 IonicContact OD2-CG 3.59Å; D372-H412 IonicContact OD2-ND1 3.27Å; D372-H412 PolarHBondContact OD2-ND1 3.49Å
373	P	95.8	Very high	96.8	Very high	44 Å²	44	48.4 Å²	48.4	29%	0.286	24%	0.235	S	C	.	.	H	α-helix	trans	-61	-35.4	-177.4	-26.7	35.7	0	0	0	114.7	K322 L377	K322-P373 HydrophobicContact CB-CB 4.37Å; P373-L377 PolarHBondContact O-N 3.18Å; P373-L377 VanDerWaalsContact O-N 3.13Å
374	L	95.8	Very high	96.8	Very high	20 Å²	20	45.3 Å²	45.3	11%	0.105	22%	0.22	C	C	.	.	H	α-helix	trans	-72.5	-39.4	177.7	-71.8	175.4	0	0	0	110.6	L313 D372 L377 V378 V408 Q411	L313-L374 HydrophobicContact CB-CD2 4.35Å; D372-L374 VanDerWaalsContact C-N 3.34Å; D372-L374 PolarHBondContact O-N 2.55Å; D372-L374 WeakPolarHBondContact OD1-CA 3.37Å; D372-L374 WeakPolarHBondContact OD1-CB 3.47Å; D372-L374 PolarHBondContact OD1-N 2.95Å; L374-L377 WeakPolarHBondContact O-CB 3.41Å; L374-L377 PolarHBondContact O-N 3.23Å; L374-V378 WeakPolarHBondContact O-CG2 3.44Å; L374-V378 PolarHBondContact O-N 3.34Å; L374-V408 HydrophobicContact CB-CG1 3.92Å; L374-V408 HydrophobicContact CB-CG2 4.03Å; L374-Q411 HydrophobicContact CD1-CB 4.35Å
375	Y	97	Very high	96.8	Very high	15 Å²	15	45.3 Å²	45.3	6%	0.059	22%	0.22	C	C	.	.	H	α-helix	trans	-61.1	-46.8	173.5	167	-114.7	0	0	0	111.8	Q362 C365 E366 P370 D372 L377 V378 A379 H405	Q362-Y375 HydrophobicContact CG-CE2 4.2Å; C365-Y375 HydrophobicContact CB-CD1 4.12Å; C365-Y375 HydrophobicContact CB-CD2 3.31Å; C365-Y375 HydrophobicContact CB-CE1 4.2Å; C365-Y375 HydrophobicContact CB-CE2 3.39Å; C365-Y375 HydrophobicContact CB-CG 3.7Å; E366-Y375 WeakPolarHBondContact CG-OH 3.32Å; E366-Y375 PolarHBondContact OE1-OH 2.91Å; P370-Y375 HydrophobicContact CB-CE1 4.49Å; D372-Y375 PolarHBondContact O-N 2.96Å; D372-Y375 PolarHBondContact OD1-N 3.49Å; D372-Y375 VanDerWaalsContact OD1-N 3.15Å; Y375-L377 PolarHBondContact O-N 3.15Å; Y375-V378 PolarHBondContact O-N 3.22Å; Y375-V378 VanDerWaalsContact O-N 3.1Å; Y375-A379 HydrophobicContact CE2-CB 4.43Å; Y375-A379 PolarHBondContact O-N 3.38Å; Y375-H405 AromaticContact CD2-CE1 3.74Å; Y375-H405 AromaticContact CD2-NE2 3.97Å; Y375-H405 AromaticContact CE2-NE2 3.88Å
376	K	96.9	Very high	96.8	Very high	74 Å²	74	45.4 Å²	45.4	32%	0.322	22%	0.221	S	C	.	.	H	α-helix	trans	-56.3	-40.6	175.8	-78.2	176.9	170.8	163.4	0	112	P370 N371 D372 A379 Q380	P370-K376 WeakPolarHBondContact O-CE 3.38Å; N371-K376 PolarHBondContact OD1-NZ 3.36Å; D372-K376 PolarHBondContact O-N 3.34Å; K376-A379 PolarHBondContact O-N 3.39Å; K376-Q380 WeakPolarHBondContact O-CG 3.3Å; K376-Q380 PolarHBondContact O-N 3.25Å
377	L	97.1	Very high	96.7	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.01	23%	0.226	C	C	.	.	H	α-helix	trans	-64.9	-43	176.4	-170.8	59.4	0	0	0	112.1	L313 M316 Q317 P324 V329 P373 L374 Y375 A379 Q380 L381	L313-L377 HydrophobicContact CD2-CD2 3.99Å; L313-L377 HydrophobicContact CD2-CG 4.09Å; M316-L377 HydrophobicContact CB-CD2 4.27Å; M316-L377 HydrophobicContact CG-CD1 4.35Å; M316-L377 HydrophobicContact CG-CD2 4.09Å; M316-L377 HydrophobicContact SD-CD1 3.67Å; M316-L377 HydrophobicContact SD-CD2 3.95Å; M316-L377 HydrophobicContact SD-CG 4Å; Q317-L377 HydrophobicContact CB-CD2 4.28Å; P324-L377 HydrophobicContact CG-CD1 3.91Å; V329-L377 HydrophobicContact CG2-CD1 3.89Å; P373-L377 PolarHBondContact O-N 3.18Å; P373-L377 VanDerWaalsContact O-N 3.13Å; L374-L377 WeakPolarHBondContact O-CB 3.41Å; L374-L377 PolarHBondContact O-N 3.23Å; Y375-L377 PolarHBondContact O-N 3.15Å; L377-A379 PolarHBondContact O-N 2.99Å; L377-Q380 PolarHBondContact O-N 3.14Å; L377-L381 WeakPolarHBondContact O-CG 3.22Å; L377-L381 PolarHBondContact O-N 3.08Å
378	V	97.6	Very high	96.7	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.018	21%	0.207	C	C	.	.	H	α-helix	trans	-61.1	-42.9	173.7	171.1	0	0	0	0	111.4	L313 F358 L374 Y375 Q380 L381 Y382 V408	L313-V378 HydrophobicContact CD1-CG2 3.58Å; L313-V378 HydrophobicContact CD2-CG2 3.94Å; L313-V378 HydrophobicContact CG-CG2 4.44Å; F358-V378 HydrophobicContact CE2-CG1 4.11Å; F358-V378 HydrophobicContact CZ-CG1 4.12Å; L374-V378 WeakPolarHBondContact O-CG2 3.44Å; L374-V378 PolarHBondContact O-N 3.34Å; Y375-V378 PolarHBondContact O-N 3.22Å; Y375-V378 VanDerWaalsContact O-N 3.1Å; V378-Q380 PolarHBondContact O-N 2.64Å; V378-L381 PolarHBondContact O-N 3.22Å; V378-Y382 PolarHBondContact O-N 2.83Å; V378-V408 HydrophobicContact CG2-CG2 3.68Å
379	A	96.8	Very high	96.6	Very high	32 Å²	32	36.8 Å²	36.8	26%	0.264	19%	0.194	S	C	.	.	H	α-helix	trans	-63.8	-39.7	176.6	0	0	0	0	0	112.4	Y375 K376 L377 Y382 K383	Y375-A379 HydrophobicContact CE2-CB 4.43Å; Y375-A379 PolarHBondContact O-N 3.38Å; K376-A379 PolarHBondContact O-N 3.39Å; L377-A379 PolarHBondContact O-N 2.99Å; A379-Y382 PolarHBondContact O-N 2.89Å; A379-K383 PolarHBondContact O-N 3.32Å
380	Q	97.1	Very high	96.5	Very high	34 Å²	34	40.4 Å²	40.4	16%	0.159	22%	0.217	C	C	.	.	H	α-helix	trans	-63.1	-44.7	172.2	-74.9	-179.7	-61.6	0	0	111.5	P324 D326 V329 K376 L377 V378 Y382 K383 I384	P324-Q380 PolarHBondContact O-NE2 3.33Å; D326-Q380 PolarHBondContact OD1-NE2 3.17Å; V329-Q380 HydrophobicContact CG2-CB 4.48Å; K376-Q380 WeakPolarHBondContact O-CG 3.3Å; K376-Q380 PolarHBondContact O-N 3.25Å; L377-Q380 PolarHBondContact O-N 3.14Å; V378-Q380 PolarHBondContact O-N 2.64Å; Q380-Y382 VanDerWaalsContact C-N 3.29Å; Q380-Y382 PolarHBondContact O-N 2.97Å; Q380-K383 PolarHBondContact O-N 2.88Å; Q380-I384 HydrophobicContact CB-CD1 4.31Å; Q380-I384 WeakPolarHBondContact O-CB 3.49Å; Q380-I384 WeakPolarHBondContact O-CD1 3.4Å; Q380-I384 VanDerWaalsContact O-CG1 3.24Å; Q380-I384 WeakPolarHBondContact O-CG1 3.48Å; Q380-I384 PolarHBondContact O-N 3.37Å
381	L	97.9	Very high	96.4	Very high	6 Å²	6	42.2 Å²	42.2	3%	0.031	23%	0.231	C	C	.	.	H	α-helix	trans	-60.3	-39.5	176.4	-72.2	168.6	0	0	0	111.8	F312 L313 M316 V329 V333 Y346 L377 V378 K383 I384 V385	F312-L381 HydrophobicContact CE1-CD1 4.15Å; L313-L381 HydrophobicContact CD2-CD1 3.47Å; L313-L381 VanDerWaalsContact CD2-CD1 3.47Å; M316-L381 HydrophobicContact CE-CD2 3.87Å; M316-L381 HydrophobicContact SD-CD1 4.27Å; M316-L381 HydrophobicContact SD-CD2 4.09Å; M316-L381 HydrophobicContact SD-CG 4.45Å; V329-L381 HydrophobicContact CG1-CD2 3.76Å; V329-L381 HydrophobicContact CG1-CG 4.31Å; V333-L381 HydrophobicContact CG2-CD2 3.66Å; Y346-L381 VanDerWaalsContact OH-C 3.27Å; Y346-L381 PolarHBondContact OH-O 3.29Å; L377-L381 WeakPolarHBondContact O-CG 3.22Å; L377-L381 PolarHBondContact O-N 3.08Å; V378-L381 PolarHBondContact O-N 3.22Å; L381-K383 VanDerWaalsContact C-N 3.27Å; L381-K383 PolarHBondContact O-N 3.24Å; L381-I384 PolarHBondContact O-N 2.96Å; L381-I384 VanDerWaalsContact O-N 3.16Å; L381-V385 HydrophobicContact CB-CG2 4.12Å; L381-V385 HydrophobicContact CD2-CG2 3.7Å; L381-V385 VanDerWaalsContact O-CB 3.31Å; L381-V385 WeakPolarHBondContact O-CB 3.49Å; L381-V385 WeakPolarHBondContact O-CG2 3.37Å; L381-V385 PolarHBondContact O-N 3.45Å
382	Y	97.4	Very high	96.2	Very high	67 Å²	67	40 Å²	40	26%	0.263	22%	0.219	S	C	.	.	H	α-helix	trans	-61.1	-36.5	177.4	-179.3	-127.2	0	0	0	112.6	Y346 T354 F358 V378 A379 Q380 P386 P400	Y346-Y382 VanDerWaalsContact OH-CA 3.23Å; Y346-Y382 WeakPolarHBondContact OH-CA 3.35Å; Y346-Y382 PolarHBondContact OH-N 3.22Å; Y346-Y382 VanDerWaalsContact OH-N 3.11Å; T354-Y382 HydrophobicContact CG2-CE2 3.96Å; T354-Y382 WeakPolarHBondContact OG1-CE2 3.46Å; T354-Y382 PolarHBondContact OG1-OH 3.01Å; F358-Y382 HydrophobicContact CE1-CD1 4.35Å; F358-Y382 AromaticContact CE1-CD2 3.84Å; F358-Y382 HydrophobicContact CE1-CD2 3.84Å; F358-Y382 HydrophobicContact CE1-CE2 4.15Å; F358-Y382 AromaticContact CE1-CG 3.94Å; F358-Y382 HydrophobicContact CE1-CG 3.94Å; F358-Y382 HydrophobicContact CZ-CD2 4.14Å; F358-Y382 HydrophobicContact CZ-CG 4.15Å; V378-Y382 PolarHBondContact O-N 2.83Å; A379-Y382 PolarHBondContact O-N 2.89Å; Q380-Y382 VanDerWaalsContact C-N 3.29Å; Q380-Y382 PolarHBondContact O-N 2.97Å; Y382-P386 WeakPolarHBondContact O-CD 3.41Å; Y382-P386 VanDerWaalsContact O-CG 3.32Å; Y382-P386 WeakPolarHBondContact O-CG 3.36Å; Y382-P400 HydrophobicContact CD2-CG 3.76Å; Y382-P400 HydrophobicContact CE2-CG 3.98Å
383	K	97	Very high	95.8	Very high	139 Å²	139	42 Å²	42	60%	0.604	25%	0.246	S	C	*	.	H	α-helix	trans	-73	-37	174.2	-178.9	-173.7	174.1	-167.2	0	112.9	D326 A379 Q380 L381 P387	D326-K383 IonicContact OD2-NZ 2.7Å; D326-K383 PolarHBondContact OD2-NZ 3.44Å; A379-K383 PolarHBondContact O-N 3.32Å; Q380-K383 PolarHBondContact O-N 2.88Å; L381-K383 VanDerWaalsContact C-N 3.27Å; L381-K383 PolarHBondContact O-N 3.24Å; K383-P387 WeakPolarHBondContact O-CD 3.33Å
384	I	97.6	Very high	95.4	Very high	16 Å²	16	48.9 Å²	48.9	8%	0.082	27%	0.271	C	S	.	.	H	α-helix	trans	-94.1	-42.6	-165.6	-68.8	167.5	0	0	0	113	D326 V329 K330 Q380 L381 P387 I388	D326-I384 HydrophobicContact CB-CD1 3.98Å; V329-I384 HydrophobicContact CB-CD1 3.74Å; V329-I384 HydrophobicContact CG1-CD1 3.69Å; K330-I384 HydrophobicContact CB-CG2 3.96Å; K330-I384 HydrophobicContact CG-CG2 4.46Å; Q380-I384 HydrophobicContact CB-CD1 4.31Å; Q380-I384 WeakPolarHBondContact O-CB 3.49Å; Q380-I384 WeakPolarHBondContact O-CD1 3.4Å; Q380-I384 VanDerWaalsContact O-CG1 3.24Å; Q380-I384 WeakPolarHBondContact O-CG1 3.48Å; Q380-I384 PolarHBondContact O-N 3.37Å; L381-I384 PolarHBondContact O-N 2.96Å; L381-I384 VanDerWaalsContact O-N 3.16Å; I384-P387 WeakPolarHBondContact O-CD 3.46Å; I384-I388 HydrophobicContact CG2-CD1 3.59Å; I384-I388 WeakPolarHBondContact O-CD1 3.29Å; I384-I388 WeakPolarHBondContact O-CG1 3.48Å
385	V	97.4	Very high	95	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-70	-46.7	-170.6	176.3	0	0	0	0	112.6	V333 I343 Y346 L381 I388 L389	V333-V385 HydrophobicContact CG1-CG2 4.21Å; V333-V385 HydrophobicContact CG2-CG2 3.97Å; I343-V385 HydrophobicContact CB-CG1 4.3Å; I343-V385 HydrophobicContact CG1-CG1 4.3Å; I343-V385 HydrophobicContact CG2-CG1 4.15Å; I343-V385 HydrophobicContact CG2-CG2 4.12Å; Y346-V385 HydrophobicContact CD1-CB 3.88Å; Y346-V385 HydrophobicContact CD1-CG1 3.44Å; Y346-V385 VanDerWaalsContact CD1-CG1 3.44Å; Y346-V385 HydrophobicContact CD2-CG1 4.17Å; Y346-V385 HydrophobicContact CE1-CB 3.75Å; Y346-V385 HydrophobicContact CE1-CG1 3.87Å; Y346-V385 HydrophobicContact CE1-CG2 4.49Å; Y346-V385 HydrophobicContact CG-CB 4.35Å; Y346-V385 HydrophobicContact CG-CG1 3.61Å; L381-V385 HydrophobicContact CB-CG2 4.12Å; L381-V385 HydrophobicContact CD2-CG2 3.7Å; L381-V385 VanDerWaalsContact O-CB 3.31Å; L381-V385 WeakPolarHBondContact O-CB 3.49Å; L381-V385 WeakPolarHBondContact O-CG2 3.37Å; L381-V385 PolarHBondContact O-N 3.45Å; V385-I388 WeakPolarHBondContact O-CB 3.48Å; V385-I388 PolarHBondContact O-N 3.45Å; V385-I388 VanDerWaalsContact O-N 3.11Å; V385-L389 HydrophobicContact CG1-CD1 3.61Å; V385-L389 HydrophobicContact CG1-CG 3.81Å; V385-L389 PolarHBondContact O-N 3.06Å
386	P	96	Very high	94.5	Very high	3 Å²	3	57.4 Å²	57.4	2%	0.019	31%	0.314	C	S	.	.	H	α-helix	trans	-60.2	-44.2	-175.5	-21.8	32.3	0	0	0	114.2	Y346 Y382 I388 L389 T390 P398 W399	Y346-P386 HydrophobicContact CD1-CG 4.47Å; Y346-P386 HydrophobicContact CE1-CG 4.1Å; Y382-P386 WeakPolarHBondContact O-CD 3.41Å; Y382-P386 VanDerWaalsContact O-CG 3.32Å; Y382-P386 WeakPolarHBondContact O-CG 3.36Å; P386-I388 VanDerWaalsContact C-N 3.33Å; P386-I388 PolarHBondContact O-N 2.94Å; P386-L389 PolarHBondContact O-N 3.04Å; P386-T390 WeakPolarHBondContact O-CB 3.3Å; P386-T390 PolarHBondContact O-N 2.97Å; P386-T390 PolarHBondContact O-OG1 3.18Å; P386-P398 HydrophobicContact CB-CB 4.35Å; P386-P398 HydrophobicContact CB-CG 4.38Å; P386-W399 HydrophobicContact CB-CE3 3.88Å; P386-W399 HydrophobicContact CB-CH2 4.39Å; P386-W399 HydrophobicContact CB-CZ3 3.72Å; P386-W399 HydrophobicContact CG-CE3 3.96Å; P386-W399 HydrophobicContact CG-CZ3 4.01Å
387	P	95.9	Very high	94.3	Very high	80 Å²	80	54.7 Å²	54.7	52%	0.519	30%	0.303	S	S	.	.	H	α-helix	trans	-59.9	-39.3	173.4	-25.5	35.5	0	0	0	113.6	K383 I384 S391	K383-P387 WeakPolarHBondContact O-CD 3.33Å; I384-P387 WeakPolarHBondContact O-CD 3.46Å; P387-S391 PolarHBondContact O-N 3.05Å; P387-S391 PolarHBondContact O-OG 3.5Å
388	I	96	Very high	94.1	Very high	11 Å²	11	55.1 Å²	55.1	6%	0.056	31%	0.306	C	S	.	.	H	α-helix	trans	-63.5	-54	177.9	-68.6	169.7	0	0	0	110.1	K330 V333 M334 L337 I384 V385 P386 T390 S391 L392	K330-I388 HydrophobicContact CG-CD1 4.07Å; V333-I388 HydrophobicContact CB-CD1 4.23Å; V333-I388 HydrophobicContact CG1-CD1 3.72Å; V333-I388 HydrophobicContact CG1-CG2 4.38Å; M334-I388 HydrophobicContact CG-CD1 4.44Å; M334-I388 HydrophobicContact SD-CD1 4.26Å; M334-I388 HydrophobicContact SD-CG1 4.33Å; M334-I388 HydrophobicContact SD-CG2 3.52Å; M334-I388 VanDerWaalsContact SD-CG2 3.52Å; L337-I388 HydrophobicContact CD1-CG2 3.61Å; I384-I388 HydrophobicContact CG2-CD1 3.59Å; I384-I388 WeakPolarHBondContact O-CD1 3.29Å; I384-I388 WeakPolarHBondContact O-CG1 3.48Å; V385-I388 WeakPolarHBondContact O-CB 3.48Å; V385-I388 PolarHBondContact O-N 3.45Å; V385-I388 VanDerWaalsContact O-N 3.11Å; P386-I388 VanDerWaalsContact C-N 3.33Å; P386-I388 PolarHBondContact O-N 2.94Å; I388-T390 VanDerWaalsContact C-N 3.26Å; I388-T390 PolarHBondContact O-N 3.5Å; I388-S391 PolarHBondContact O-N 3.33Å; I388-S391 VanDerWaalsContact O-N 3.08Å; I388-S391 PolarHBondContact O-OG 3.45Å; I388-L392 PolarHBondContact O-N 3.5Å
389	L	95.3	Very high	94	Very high	9 Å²	9	58.9 Å²	58.9	5%	0.047	32%	0.32	C	S	.	.	H	α-helix	trans	-60.7	-37.3	-179.2	-65.8	-175.8	0	0	0	112.2	L337 V385 P386 L392 V395 P398	L337-L389 HydrophobicContact CD1-CD2 3.96Å; L337-L389 HydrophobicContact CD2-CD2 3.97Å; V385-L389 HydrophobicContact CG1-CD1 3.61Å; V385-L389 HydrophobicContact CG1-CG 3.81Å; V385-L389 PolarHBondContact O-N 3.06Å; P386-L389 PolarHBondContact O-N 3.04Å; L389-L392 HydrophobicContact CD2-CD1 4.46Å; L389-L392 PolarHBondContact O-N 3.02Å; L389-V395 HydrophobicContact CB-CB 4.41Å; L389-V395 HydrophobicContact CB-CG2 4.46Å; L389-V395 HydrophobicContact CD2-CG2 4.34Å; L389-P398 HydrophobicContact CB-CB 3.63Å; L389-P398 HydrophobicContact CD1-CB 4.25Å
390	T	93.9	Very high	94	Very high	87 Å²	87	57.3 Å²	57.3	53%	0.534	31%	0.307	S	S	.	.	H	α-helix	trans	-59.9	-47.2	174	-55.7	0	0	0	0	111.1	P386 I388 L392 G393 P398	P386-T390 WeakPolarHBondContact O-CB 3.3Å; P386-T390 PolarHBondContact O-N 2.97Å; P386-T390 PolarHBondContact O-OG1 3.18Å; I388-T390 VanDerWaalsContact C-N 3.26Å; I388-T390 PolarHBondContact O-N 3.5Å; T390-L392 PolarHBondContact O-N 3.03Å; T390-G393 PolarHBondContact O-N 3.39Å; T390-G393 VanDerWaalsContact O-N 3.11Å; T390-P398 WeakPolarHBondContact OG1-CG 3.24Å
391	S	94	Very high	93.9	Very high	98 Å²	98	56.7 Å²	56.7	69%	0.685	31%	0.305	S	S	*	.	H	α-helix	trans	-66.1	-23.3	-178.5	69.7	0	0	0	0	114.2	P387 I388 G393	P387-S391 PolarHBondContact O-N 3.05Å; P387-S391 PolarHBondContact O-OG 3.5Å; I388-S391 PolarHBondContact O-N 3.33Å; I388-S391 VanDerWaalsContact O-N 3.08Å; I388-S391 PolarHBondContact O-OG 3.45Å; S391-G393 VanDerWaalsContact C-N 3.34Å
392	L	91.9	Very high	93.8	Very high	72 Å²	72	56.6 Å²	56.6	38%	0.377	31%	0.305	S	S	.	.	H	α-helix	trans	-75.5	-20.3	174.9	-66.7	176.7	0	0	0	113.3	L337 I388 L389 T390 K394	L337-L392 HydrophobicContact CD1-CD1 3.95Å; I388-L392 PolarHBondContact O-N 3.5Å; L389-L392 HydrophobicContact CD2-CD1 4.46Å; L389-L392 PolarHBondContact O-N 3.02Å; T390-L392 PolarHBondContact O-N 3.03Å; L392-K394 PolarHBondContact O-N 3.38Å; L392-K394 VanDerWaalsContact O-N 3.08Å
393	G	88.4	Confident	93.7	Very high	70 Å²	70	54.6 Å²	54.6	72%	0.722	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	6.5	177.7	0	0	0	0	0	116.1	T390 S391	T390-G393 PolarHBondContact O-N 3.39Å; T390-G393 VanDerWaalsContact O-N 3.11Å; S391-G393 VanDerWaalsContact C-N 3.34Å
394	K	86.5	Confident	93.6	Very high	188 Å²	188	48.2 Å²	48.2	82%	0.817	27%	0.271	S	S	*	.			trans	-96.5	-19.7	-177.8	-66.2	179.9	-176.4	178.3	0	114	L392	L392-K394 PolarHBondContact O-N 3.38Å; L392-K394 VanDerWaalsContact O-N 3.08Å
395	V	86.4	Confident	93.6	Very high	47 Å²	47	47.5 Å²	47.5	29%	0.285	27%	0.268	S	S	.	.			trans	-109.5	119.5	-176.5	-179.3	0	0	0	0	108.4	L389	L389-V395 HydrophobicContact CB-CB 4.41Å; L389-V395 HydrophobicContact CB-CG2 4.46Å; L389-V395 HydrophobicContact CD2-CG2 4.34Å
396	Q	87	Confident	93.5	Very high	167 Å²	167	47.5 Å²	47.5	78%	0.78	27%	0.268	S	S	*	.	S	Bend	trans	-67.2	-42.4	-178.6	-69.2	-172.6	-1.7	0	0	112.2
397	N	92.2	Very high	93.5	Very high	18 Å²	18	47.4 Å²	47.4	10%	0.096	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	100	-178.9	-46.6	-73.5	0	0	0	110.5	G347 H348 L351 R352 W399	G347-N397 CarbonylContact C-O 3.55Å; G347-N397 VanDerWaalsContact CA-O 3.26Å; G347-N397 WeakPolarHBondContact CA-O 3.2Å; H348-N397 PolarHBondContact N-O 3.19Å; H348-N397 WeakPolarHBondContact O-CB 3.3Å; H348-N397 PolarHBondContact O-ND2 2.83Å; L351-N397 WeakPolarHBondContact O-CB 3.43Å; R352-N397 WeakPolarHBondContact CA-OD1 3.44Å; N397-W399 PolarHBondContact O-N 3.43Å; N397-W399 VanDerWaalsContact O-N 3.1Å
398	P	94.5	Very high	93.5	Very high	10 Å²	10	43.7 Å²	43.7	7%	0.065	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	18.3	-168.2	36.9	-40.2	0	0	0	113.8	P386 L389 T390	P386-P398 HydrophobicContact CB-CB 4.35Å; P386-P398 HydrophobicContact CB-CG 4.38Å; L389-P398 HydrophobicContact CB-CB 3.63Å; L389-P398 HydrophobicContact CD1-CB 4.25Å; T390-P398 WeakPolarHBondContact OG1-CG 3.24Å
399	W	95.5	Very high	93.6	Very high	82 Å²	82	43.5 Å²	43.5	31%	0.311	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	152.8	-170.7	-54	112.5	0	0	0	112.8	G347 H348 R352 P386 N397	G347-W399 PolarHBondContact N-O 3.16Å; H348-W399 PolarHBondContact ND1-O 2.71Å; R352-W399 PolarHBondContact O-NE1 3.49Å; P386-W399 HydrophobicContact CB-CE3 3.88Å; P386-W399 HydrophobicContact CB-CH2 4.39Å; P386-W399 HydrophobicContact CB-CZ3 3.72Å; P386-W399 HydrophobicContact CG-CE3 3.96Å; P386-W399 HydrophobicContact CG-CZ3 4.01Å; N397-W399 PolarHBondContact O-N 3.43Å; N397-W399 VanDerWaalsContact O-N 3.1Å
400	P	96.2	Very high	93.7	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	159.4	-179.1	31.8	-34.3	0	0	0	113.8	G345 Y346 T354 D355 F358 Y382 A404	G345-P400 CarbonylContact O-C 3.57Å; G345-P400 WeakPolarHBondContact O-CA 3.31Å; Y346-P400 HydrophobicContact CD1-CB 4.07Å; Y346-P400 HydrophobicContact CD1-CG 4.49Å; Y346-P400 HydrophobicContact CD2-CB 4.45Å; Y346-P400 HydrophobicContact CE1-CB 3.78Å; Y346-P400 HydrophobicContact CE1-CG 3.93Å; Y346-P400 HydrophobicContact CE2-CB 4.18Å; Y346-P400 HydrophobicContact CG-CB 4.39Å; T354-P400 HydrophobicContact CG2-CG 4.1Å; D355-P400 WeakPolarHBondContact CB-O 3.28Å; D355-P400 PolarHBondContact N-O 3.22Å; F358-P400 HydrophobicContact CD1-CG 3.92Å; F358-P400 HydrophobicContact CD2-CB 3.76Å; F358-P400 HydrophobicContact CD2-CG 3.84Å; F358-P400 HydrophobicContact CE1-CG 3.9Å; F358-P400 HydrophobicContact CE2-CB 3.8Å; F358-P400 HydrophobicContact CE2-CG 3.81Å; F358-P400 HydrophobicContact CG-CB 4.24Å; F358-P400 HydrophobicContact CG-CG 3.9Å; F358-P400 HydrophobicContact CZ-CB 4.32Å; F358-P400 HydrophobicContact CZ-CG 3.84Å; Y382-P400 HydrophobicContact CD2-CG 3.76Å; Y382-P400 HydrophobicContact CE2-CG 3.98Å; P400-A404 HydrophobicContact CB-CB 3.81Å
401	N	94.6	Very high	93.9	Very high	20 Å²	20	40.7 Å²	40.7	11%	0.107	22%	0.223	C	C	.	.			trans	-104	175.9	165.4	54.5	30.9	0	0	0	113.4	G345 H348 D355 F358 D403 A404	G345-N401 PolarHBondContact O-N 2.9Å; G345-N401 PolarHBondContact O-OD1 2.63Å; H348-N401 WeakPolarHBondContact CE1-CB 3.36Å; H348-N401 PolarHBondContact CE1-ND2 2.81Å; H348-N401 VanDerWaalsContact NE2-CB 3.32Å; H348-N401 WeakPolarHBondContact NE2-CB 3.29Å; H348-N401 PolarHBondContact NE2-ND2 3.29Å; D355-N401 HydrophobicContact CB-CB 4.43Å; F358-N401 VanDerWaalsContact CD2-O 3.31Å; F358-N401 WeakPolarHBondContact CD2-O 3.38Å; N401-D403 PolarHBondContact O-N 2.76Å; N401-D403 WeakPolarHBondContact OD1-CB 3.43Å; N401-D403 PolarHBondContact OD1-N 2.9Å; N401-A404 VanDerWaalsContact O-CB 3.25Å; N401-A404 WeakPolarHBondContact O-CB 3.24Å; N401-A404 PolarHBondContact O-N 3.28Å; N401-A404 PolarHBondContact OD1-N 3.47Å
402	V	95.6	Very high	94	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.024	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.2	-39.4	172.8	72.3	0	0	0	0	114.6	H263 D355 R357 A404 H405 S406	H263-V402 VanDerWaalsContact CE1-CG2 3.48Å; H263-V402 WeakPolarHBondContact CE1-CG2 3.48Å; H263-V402 VanDerWaalsContact NE2-CG2 3.33Å; H263-V402 WeakPolarHBondContact NE2-CG2 3.45Å; D355-V402 PolarHBondContact OD2-N 3.25Å; D355-V402 VanDerWaalsContact OD2-N 3.13Å; R357-V402 HydrophobicContact CB-CB 3.7Å; R357-V402 HydrophobicContact CB-CG2 3.69Å; V402-A404 PolarHBondContact O-N 2.95Å; V402-H405 PolarHBondContact O-N 3.34Å; V402-S406 PolarHBondContact O-N 3.01Å
403	D	95.5	Very high	94.3	Very high	26 Å²	26	37.3 Å²	37.3	14%	0.139	19%	0.193	C	C	.	.	H	α-helix	trans	-67.2	-24.5	-176.8	-60.5	-68.8	0	0	0	112.4	A305 N401 H405	A305-D403 HydrophobicContact CB-CB 3.76Å; N401-D403 PolarHBondContact O-N 2.76Å; N401-D403 WeakPolarHBondContact OD1-CB 3.43Å; N401-D403 PolarHBondContact OD1-N 2.9Å; D403-H405 PolarHBondContact O-N 2.92Å; D403-H405 VanDerWaalsContact O-N 3.15Å
404	A	96.4	Very high	94.7	Very high	4 Å²	4	35.5 Å²	35.5	3%	0.033	17%	0.174	C	C	.	.	H	α-helix	trans	-65.3	-11	173.7	0	0	0	0	0	113.5	Y346 F358 P400 N401 V402	Y346-A404 HydrophobicContact CE2-CB 4.45Å; F358-A404 HydrophobicContact CD2-CB 3.95Å; F358-A404 HydrophobicContact CE2-CB 3.87Å; P400-A404 HydrophobicContact CB-CB 3.81Å; N401-A404 VanDerWaalsContact O-CB 3.25Å; N401-A404 WeakPolarHBondContact O-CB 3.24Å; N401-A404 PolarHBondContact O-N 3.28Å; N401-A404 PolarHBondContact OD1-N 3.47Å; V402-A404 PolarHBondContact O-N 2.95Å
405	H	96.4	Very high	95.3	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-129.1	-33.4	-173.1	-148.2	-45.7	0	0	0	114.1	F358 A361 Q362 C365 Y375 V402 D403 G407 V408	F358-H405 HydrophobicContact CD2-CB 3.69Å; F358-H405 AromaticContact CD2-CD2 3.95Å; F358-H405 HydrophobicContact CE2-CB 3.88Å; F358-H405 AromaticContact CE2-CD2 3.61Å; F358-H405 HydrophobicContact CG-CB 4.5Å; F358-H405 AromaticContact CZ-CD2 3.72Å; A361-H405 HydrophobicContact CB-CB 3.89Å; Q362-H405 VanDerWaalsContact CA-NE2 3.33Å; Q362-H405 WeakPolarHBondContact CA-NE2 3.31Å; C365-H405 PolarHBondContact SG-CE1 3.1Å; Y375-H405 AromaticContact CD2-CE1 3.74Å; Y375-H405 AromaticContact CD2-NE2 3.97Å; Y375-H405 AromaticContact CE2-NE2 3.88Å; V402-H405 PolarHBondContact O-N 3.34Å; D403-H405 PolarHBondContact O-N 2.92Å; D403-H405 VanDerWaalsContact O-N 3.15Å; H405-G407 VanDerWaalsContact C-N 3.28Å; H405-G407 PolarHBondContact O-N 2.98Å; H405-V408 PolarHBondContact O-N 3.12Å
406	S	94.9	Very high	95.8	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.007	14%	0.142	C	C	.	.	H	α-helix	trans	-61	-32.7	-168.9	58.4	0	0	0	0	114	N306 V402 V408 L409 L410	N306-S406 PolarHBondContact ND2-OG 3.49Å; V402-S406 PolarHBondContact O-N 3.01Å; S406-V408 PolarHBondContact O-N 2.87Å; S406-L409 WeakPolarHBondContact O-CB 3.38Å; S406-L409 PolarHBondContact O-N 3.34Å; S406-L410 PolarHBondContact O-N 3.05Å
407	G	96.1	Very high	96.3	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.01	11%	0.112	C	C	.	.	H	α-helix	trans	-65.7	-36.7	179.1	0	0	0	0	0	113.5	N306 H405 L409 L410 Q411	N306-G407 WeakPolarHBondContact OD1-CA 3.48Å; N306-G407 PolarHBondContact OD1-N 3.41Å; N306-G407 VanDerWaalsContact OD1-N 3.09Å; H405-G407 VanDerWaalsContact C-N 3.28Å; H405-G407 PolarHBondContact O-N 2.98Å; G407-L409 VanDerWaalsContact C-N 3.31Å; G407-L409 PolarHBondContact O-N 3.48Å; G407-L410 PolarHBondContact O-N 3.08Å; G407-Q411 VanDerWaalsContact O-CG 3.29Å; G407-Q411 WeakPolarHBondContact O-CG 3.27Å; G407-Q411 PolarHBondContact O-N 2.99Å
408	V	96.5	Very high	96.6	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.012	12%	0.117	C	C	.	.	H	α-helix	trans	-66.4	-36	178.7	176.4	0	0	0	0	111.1	L310 L313 L374 V378 H405 S406 L410 H412	L310-V408 HydrophobicContact CD2-CG2 4.22Å; L313-V408 HydrophobicContact CD1-CG2 3.78Å; L374-V408 HydrophobicContact CB-CG1 3.92Å; L374-V408 HydrophobicContact CB-CG2 4.03Å; V378-V408 HydrophobicContact CG2-CG2 3.68Å; H405-V408 PolarHBondContact O-N 3.12Å; S406-V408 PolarHBondContact O-N 2.87Å; V408-L410 VanDerWaalsContact C-N 3.33Å; V408-L410 PolarHBondContact O-N 3.34Å; V408-H412 WeakPolarHBondContact O-CB 3.16Å; V408-H412 PolarHBondContact O-N 3.38Å
409	L	97.3	Very high	96.7	Very high	6 Å²	6	26.6 Å²	26.6	3%	0.031	14%	0.136	C	C	.	.	H	α-helix	trans	-57.6	-47.3	173.5	-62	176.9	0	0	0	111.5	M255 A361 F364 C365 F369 S406 G407 Y413	M255-L409 HydrophobicContact CG-CB 3.82Å; M255-L409 HydrophobicContact CG-CD1 4.3Å; M255-L409 HydrophobicContact CG-CD2 4.46Å; M255-L409 HydrophobicContact CG-CG 4.44Å; M255-L409 HydrophobicContact SD-CB 4.01Å; A361-L409 HydrophobicContact CB-CD1 3.93Å; F364-L409 HydrophobicContact CD1-CD2 3.88Å; C365-L409 WeakPolarHBondContact SG-CD2 3.16Å; F369-L409 HydrophobicContact CZ-CD2 3.81Å; S406-L409 WeakPolarHBondContact O-CB 3.38Å; S406-L409 PolarHBondContact O-N 3.34Å; G407-L409 VanDerWaalsContact C-N 3.31Å; G407-L409 PolarHBondContact O-N 3.48Å; L409-Y413 WeakPolarHBondContact O-CD2 3.5Å
410	L	97.8	Very high	96.9	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-68.9	-45.3	-177.8	-61.7	174.5	0	0	0	111.8	M255 Y259 S406 G407 V408 H412 Y413 G414 L415 Y421 L424	M255-L410 HydrophobicContact CE-CD2 3.7Å; M255-L410 HydrophobicContact SD-CD2 3.99Å; Y259-L410 HydrophobicContact CE2-CD1 4.35Å; S406-L410 PolarHBondContact O-N 3.05Å; G407-L410 PolarHBondContact O-N 3.08Å; V408-L410 VanDerWaalsContact C-N 3.33Å; V408-L410 PolarHBondContact O-N 3.34Å; L410-H412 VanDerWaalsContact C-N 3.35Å; L410-H412 PolarHBondContact O-N 2.92Å; L410-Y413 PolarHBondContact O-N 3.23Å; L410-G414 PolarHBondContact O-N 2.85Å; L410-L415 CarbonylContact C-O 3.53Å; L410-L415 HydrophobicContact CB-CB 4.44Å; L410-L415 PolarHBondContact O-N 2.9Å; L410-Y421 HydrophobicContact CB-CE1 4.2Å; L410-Y421 HydrophobicContact CB-CE2 4.17Å; L410-Y421 HydrophobicContact CD1-CD1 3.86Å; L410-Y421 HydrophobicContact CD1-CD2 3.7Å; L410-Y421 HydrophobicContact CD1-CE1 3.92Å; L410-Y421 HydrophobicContact CD1-CE2 3.66Å; L410-Y421 HydrophobicContact CD1-CG 3.76Å; L410-L424 HydrophobicContact CD1-CD1 3.89Å; L410-L424 HydrophobicContact CD2-CD1 3.69Å; L410-L424 HydrophobicContact CG-CD1 4.46Å
411	Q	97.5	Very high	97	Very high	37 Å²	37	22.8 Å²	22.8	17%	0.173	12%	0.122	C	C	.	.	H	α-helix	trans	-61.2	-41.9	179.5	-70.8	-74.8	-33.3	0	0	112	L310 L374 G407 Y413 G414 T416 Y421	L310-Q411 HydrophobicContact CD1-CG 3.65Å; L310-Q411 HydrophobicContact CD2-CG 3.95Å; L310-Q411 HydrophobicContact CG-CG 4.5Å; L374-Q411 HydrophobicContact CD1-CB 4.35Å; G407-Q411 VanDerWaalsContact O-CG 3.29Å; G407-Q411 WeakPolarHBondContact O-CG 3.27Å; G407-Q411 PolarHBondContact O-N 2.99Å; Q411-Y413 VanDerWaalsContact C-N 3.28Å; Q411-Y413 PolarHBondContact O-N 3.42Å; Q411-G414 PolarHBondContact O-N 3.24Å; Q411-T416 PolarHBondContact NE2-O 3.36Å; Q411-T416 VanDerWaalsContact NE2-O 3.16Å; Q411-Y421 WeakPolarHBondContact CG-OH 3.46Å; Q411-Y421 PolarHBondContact NE2-OH 3.28Å
412	H	97.4	Very high	97.2	Very high	70 Å²	70	21.9 Å²	21.9	32%	0.324	12%	0.118	S	C	.	.	H	α-helix	trans	-55.5	-43.5	-178.2	179.8	72.7	0	0	0	112.6	F369 D372 V408 L410 G414	F369-H412 WeakPolarHBondContact CB-CE1 3.31Å; F369-H412 VanDerWaalsContact CB-NE2 3.35Å; F369-H412 WeakPolarHBondContact CB-NE2 3.45Å; F369-H412 AromaticContact CD1-CD2 3.22Å; F369-H412 WeakPolarHBondContact CD1-CD2 3.25Å; F369-H412 AromaticContact CD1-CG 3.74Å; F369-H412 AromaticContact CD1-NE2 3.42Å; F369-H412 WeakPolarHBondContact CD1-NE2 3.47Å; F369-H412 HydrophobicContact CD2-CB 4.15Å; F369-H412 AromaticContact CD2-CD2 3.98Å; F369-H412 AromaticContact CD2-CE1 3.98Å; F369-H412 AromaticContact CD2-CG 3.61Å; F369-H412 AromaticContact CD2-ND1 3.62Å; F369-H412 HydrophobicContact CE1-CB 4.28Å; F369-H412 AromaticContact CE1-CD2 3.52Å; F369-H412 AromaticContact CE1-CG 3.89Å; F369-H412 HydrophobicContact CE2-CB 3.78Å; F369-H412 AromaticContact CE2-CG 3.73Å; F369-H412 AromaticContact CG-CD2 3.48Å; F369-H412 VanDerWaalsContact CG-CD2 3.48Å; F369-H412 WeakPolarHBondContact CG-CD2 3.37Å; F369-H412 AromaticContact CG-CE1 3.51Å; F369-H412 AromaticContact CG-CG 3.6Å; F369-H412 AromaticContact CG-ND1 3.61Å; F369-H412 AromaticContact CG-NE2 3.41Å; F369-H412 WeakPolarHBondContact CG-NE2 3.46Å; F369-H412 HydrophobicContact CZ-CB 3.85Å; F369-H412 AromaticContact CZ-CD2 3.98Å; F369-H412 AromaticContact CZ-CG 3.87Å; D372-H412 IonicContact OD2-CE1 3.78Å; D372-H412 IonicContact OD2-CG 3.59Å; D372-H412 IonicContact OD2-ND1 3.27Å; D372-H412 PolarHBondContact OD2-ND1 3.49Å; V408-H412 WeakPolarHBondContact O-CB 3.16Å; V408-H412 PolarHBondContact O-N 3.38Å; L410-H412 VanDerWaalsContact C-N 3.35Å; L410-H412 PolarHBondContact O-N 2.92Å; H412-G414 VanDerWaalsContact C-N 3.31Å; H412-G414 PolarHBondContact O-N 3.07Å
413	Y	97.6	Very high	97.3	Very high	29 Å²	29	21.7 Å²	21.7	11%	0.114	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	6.4	-178.9	-71.1	-70.3	0	0	0	114.2	Y247 G251 F252 M255 F364 F369 L409 L410 Q411	Y247-Y413 WeakPolarHBondContact CE1-O 3.41Å; G251-Y413 WeakPolarHBondContact CA-OH 3.35Å; F252-Y413 HydrophobicContact CB-CD1 3.88Å; F252-Y413 HydrophobicContact CB-CD2 4.39Å; F252-Y413 HydrophobicContact CB-CE1 4.44Å; F252-Y413 HydrophobicContact CB-CG 3.87Å; F252-Y413 HydrophobicContact CD2-CD2 4.05Å; F252-Y413 AromaticContact CD2-CG 3.78Å; F252-Y413 HydrophobicContact CD2-CG 3.78Å; F252-Y413 HydrophobicContact CG-CG 4.33Å; M255-Y413 HydrophobicContact CB-CD2 4.3Å; M255-Y413 HydrophobicContact CB-CE2 3.91Å; M255-Y413 HydrophobicContact CE-CD2 4.37Å; M255-Y413 HydrophobicContact CG-CD2 4.35Å; M255-Y413 HydrophobicContact CG-CE2 4.2Å; F364-Y413 HydrophobicContact CE1-CE2 4.07Å; F369-Y413 HydrophobicContact CD1-CE2 4.38Å; F369-Y413 AromaticContact CE1-CE2 3.66Å; F369-Y413 HydrophobicContact CE1-CE2 3.66Å; F369-Y413 AromaticContact CE1-CZ 3.98Å; F369-Y413 HydrophobicContact CZ-CE2 4.44Å; L409-Y413 WeakPolarHBondContact O-CD2 3.5Å; L410-Y413 PolarHBondContact O-N 3.23Å; Q411-Y413 VanDerWaalsContact C-N 3.28Å; Q411-Y413 PolarHBondContact O-N 3.42Å
414	G	97.4	Very high	97.5	Very high	32 Å²	32	20.5 Å²	20.5	33%	0.33	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.8	3.5	174	0	0	0	0	0	115.9	Y247 L410 Q411 H412 T416	Y247-G414 PolarHBondContact OH-O 2.75Å; Y247-G414 VanDerWaalsContact OH-O 3.08Å; L410-G414 PolarHBondContact O-N 2.85Å; Q411-G414 PolarHBondContact O-N 3.24Å; H412-G414 VanDerWaalsContact C-N 3.31Å; H412-G414 PolarHBondContact O-N 3.07Å; G414-T416 PolarHBondContact O-N 3.45Å
415	L	98	Very high	97.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.112	C	C	.	.			trans	-81.8	77.6	170.4	-158.5	167.3	0	0	0	108.6	Y218 Y247 F252 L410 Y420 Y421 L424	Y218-L415 HydrophobicContact CE2-CD2 4.26Å; Y218-L415 HydrophobicContact CE2-CG 4.17Å; Y247-L415 VanDerWaalsContact OH-CA 3.28Å; Y247-L415 WeakPolarHBondContact OH-CA 3.45Å; Y247-L415 PolarHBondContact OH-N 2.91Å; F252-L415 HydrophobicContact CE2-CB 4.21Å; F252-L415 HydrophobicContact CE2-CD1 4.23Å; F252-L415 HydrophobicContact CZ-CD1 3.84Å; L410-L415 CarbonylContact C-O 3.53Å; L410-L415 HydrophobicContact CB-CB 4.44Å; L410-L415 PolarHBondContact O-N 2.9Å; L415-Y420 HydrophobicContact CD2-CD1 4.3Å; L415-Y421 HydrophobicContact CD2-CD1 3.8Å; L415-Y421 HydrophobicContact CD2-CE1 3.38Å; L415-Y421 VanDerWaalsContact O-CE1 3.24Å; L415-Y421 WeakPolarHBondContact O-CE1 3.34Å; L415-Y421 PolarHBondContact O-OH 2.8Å; L415-L424 HydrophobicContact CD1-CD1 3.82Å; L415-L424 HydrophobicContact CD2-CD1 4.4Å
416	T	97.9	Very high	97.7	Very high	69 Å²	69	21.2 Å²	21.2	42%	0.423	11%	0.112	S	C	.	.			trans	-91.1	-9.8	-170.1	59.5	0	0	0	0	114.4	Q411 G414 M418	Q411-T416 PolarHBondContact NE2-O 3.36Å; Q411-T416 VanDerWaalsContact NE2-O 3.16Å; G414-T416 PolarHBondContact O-N 3.45Å; T416-M418 PolarHBondContact O-N 2.97Å
417	E	98.1	Very high	97.9	Very high	32 Å²	32	21.1 Å²	21.1	15%	0.15	11%	0.112	C	C	.	.			trans	-78.7	81.5	-172.5	-55.9	87.1	174.6	0	0	112.1	Y218 Y222 R223 Q419 Y420 Y421	Y218-E417 WeakPolarHBondContact CE2-OE2 3.27Å; Y218-E417 VanDerWaalsContact OH-CD 3.23Å; Y218-E417 PolarHBondContact OH-OE1 3.09Å; Y218-E417 PolarHBondContact OH-OE2 2.91Å; Y222-E417 HydrophobicContact CD1-CB 4.21Å; Y222-E417 HydrophobicContact CD1-CG 3.73Å; Y222-E417 HydrophobicContact CD2-CB 4.12Å; Y222-E417 HydrophobicContact CD2-CG 4.02Å; Y222-E417 HydrophobicContact CE1-CB 4.06Å; Y222-E417 HydrophobicContact CE1-CG 4.07Å; Y222-E417 HydrophobicContact CE2-CB 3.98Å; Y222-E417 HydrophobicContact CE2-CG 4.35Å; Y222-E417 HydrophobicContact CG-CB 4.24Å; Y222-E417 HydrophobicContact CG-CG 3.69Å; R223-E417 IonicContact CZ-OE1 2.78Å; R223-E417 IonicContact NH1-OE1 3.48Å; R223-E417 PolarHBondContact NH1-OE1 3.43Å; R223-E417 IonicContact NH2-OE1 3.74Å; R223-E417 PolarHBondContact NH2-OE1 3.35Å; E417-Q419 PolarHBondContact O-N 2.96Å; E417-Y420 VanDerWaalsContact O-CB 3.28Å; E417-Y420 WeakPolarHBondContact O-CB 3.31Å; E417-Y420 PolarHBondContact O-N 3.23Å; E417-Y421 WeakPolarHBondContact O-CD1 3.45Å
418	M	97.6	Very high	98	Very high	39 Å²	39	21.1 Å²	21.1	19%	0.192	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-52.1	-31.4	-172.7	-61.6	-175.4	-163.8	0	0	115	Q307 L310 V311 N314 T416 Y420 Y421	Q307-M418 HydrophobicContact CB-CB 4.5Å; Q307-M418 HydrophobicContact CG-CB 3.91Å; Q307-M418 WeakPolarHBondContact CG-O 3.4Å; Q307-M418 PolarHBondContact NE2-O 3.1Å; Q307-M418 VanDerWaalsContact NE2-O 3.14Å; L310-M418 HydrophobicContact CB-CE 3.86Å; L310-M418 HydrophobicContact CB-SD 4.02Å; L310-M418 HydrophobicContact CD1-CE 4.13Å; L310-M418 HydrophobicContact CD1-CG 4.2Å; L310-M418 HydrophobicContact CD1-SD 4.34Å; V311-M418 HydrophobicContact CG2-SD 4.15Å; N314-M418 WeakPolarHBondContact ND2-CE 3.42Å; T416-M418 PolarHBondContact O-N 2.97Å; M418-Y420 PolarHBondContact O-N 3.46Å; M418-Y421 HydrophobicContact CG-CE2 4.4Å; M418-Y421 WeakPolarHBondContact O-CB 3.47Å; M418-Y421 PolarHBondContact O-N 3.41Å
419	Q	97.2	Very high	98.2	Very high	103 Å²	103	21.3 Å²	21.3	48%	0.481	11%	0.112	S	C	.	.	G	3₁₀ helix	trans	-62.4	-23.8	177.2	-64.6	-63	-49.6	0	0	112.5	H164 P165 E417	H164-Q419 PolarHBondContact CD2-OE1 2.62Å; H164-Q419 PolarHBondContact NE2-OE1 3.01Å; H164-Q419 VanDerWaalsContact NE2-OE1 3.11Å; P165-Q419 HydrophobicContact CG-CB 4.25Å; P165-Q419 WeakPolarHBondContact CG-O 3.37Å; E417-Q419 PolarHBondContact O-N 2.96Å
420	Y	98.6	Very high	98.2	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-85.6	-12.9	179.6	-171.4	-102.3	0	0	0	113.7	P165 A214 I217 Y218 Y222 L245 L415 E417 M418 T422 V423 L424	P165-Y420 HydrophobicContact CB-CD2 4.11Å; A214-Y420 WeakPolarHBondContact CB-OH 3.38Å; A214-Y420 PolarHBondContact O-OH 2.77Å; I217-Y420 HydrophobicContact CB-CE2 4.48Å; I217-Y420 HydrophobicContact CG2-CE2 4.21Å; Y218-Y420 AromaticContact CD2-CD1 3.49Å; Y218-Y420 HydrophobicContact CD2-CD1 3.49Å; Y218-Y420 VanDerWaalsContact CD2-CD1 3.49Å; Y218-Y420 AromaticContact CD2-CD2 3.87Å; Y218-Y420 HydrophobicContact CD2-CD2 3.87Å; Y218-Y420 AromaticContact CD2-CE1 3.59Å; Y218-Y420 HydrophobicContact CD2-CE1 3.59Å; Y218-Y420 AromaticContact CD2-CE2 3.98Å; Y218-Y420 HydrophobicContact CD2-CE2 3.98Å; Y218-Y420 AromaticContact CD2-CG 3.63Å; Y218-Y420 HydrophobicContact CD2-CG 3.63Å; Y218-Y420 AromaticContact CD2-CZ 3.86Å; Y218-Y420 AromaticContact CE2-CD1 3.97Å; Y218-Y420 HydrophobicContact CE2-CD1 3.97Å; Y218-Y420 HydrophobicContact CE2-CE1 4.35Å; Y218-Y420 HydrophobicContact CE2-CG 4.24Å; Y218-Y420 HydrophobicContact CG-CD1 4.48Å; Y218-Y420 HydrophobicContact CG-CE1 4.18Å; Y218-Y420 HydrophobicContact CG-CE2 4.32Å; Y222-Y420 HydrophobicContact CE2-CD2 4.1Å; Y222-Y420 HydrophobicContact CE2-CG 4.19Å; L245-Y420 HydrophobicContact CD2-CE1 4.17Å; L415-Y420 HydrophobicContact CD2-CD1 4.3Å; E417-Y420 VanDerWaalsContact O-CB 3.28Å; E417-Y420 WeakPolarHBondContact O-CB 3.31Å; E417-Y420 PolarHBondContact O-N 3.23Å; M418-Y420 PolarHBondContact O-N 3.46Å; Y420-T422 VanDerWaalsContact C-N 3.28Å; Y420-T422 PolarHBondContact O-N 3.13Å; Y420-V423 HydrophobicContact CD2-CB 3.99Å; Y420-V423 HydrophobicContact CD2-CG1 4.38Å; Y420-V423 HydrophobicContact CD2-CG2 3.93Å; Y420-V423 HydrophobicContact CE1-CB 4.43Å; Y420-V423 HydrophobicContact CE1-CG1 4.46Å; Y420-V423 HydrophobicContact CE2-CB 3.78Å; Y420-V423 HydrophobicContact CE2-CG1 3.66Å; Y420-V423 HydrophobicContact CE2-CG2 3.99Å; Y420-V423 HydrophobicContact CG-CB 4.39Å; Y420-V423 WeakPolarHBondContact O-CA 3.46Å; Y420-V423 VanDerWaalsContact O-CB 3.25Å; Y420-V423 WeakPolarHBondContact O-CB 3.33Å; Y420-V423 PolarHBondContact O-N 3.5Å; Y420-L424 HydrophobicContact CD1-CD2 4.4Å; Y420-L424 HydrophobicContact CD1-CG 4.18Å; Y420-L424 HydrophobicContact CE1-CD2 3.72Å; Y420-L424 HydrophobicContact CE1-CG 3.96Å
421	Y	98.6	Very high	98.3	Very high	2 Å²	2	21 Å²	21	1%	0.008	11%	0.11	C	C	.	.	H	α-helix	trans	-63.7	-34.1	-170.7	-71.9	11.3	0	0	0	113	Q307 L310 L410 Q411 L415 E417 M418 V423 L424 F425	Q307-Y421 HydrophobicContact CG-CD2 4.38Å; L310-Y421 HydrophobicContact CD1-CD2 4.32Å; L310-Y421 HydrophobicContact CD1-CE2 3.35Å; L410-Y421 HydrophobicContact CB-CE1 4.2Å; L410-Y421 HydrophobicContact CB-CE2 4.17Å; L410-Y421 HydrophobicContact CD1-CD1 3.86Å; L410-Y421 HydrophobicContact CD1-CD2 3.7Å; L410-Y421 HydrophobicContact CD1-CE1 3.92Å; L410-Y421 HydrophobicContact CD1-CE2 3.66Å; L410-Y421 HydrophobicContact CD1-CG 3.76Å; Q411-Y421 WeakPolarHBondContact CG-OH 3.46Å; Q411-Y421 PolarHBondContact NE2-OH 3.28Å; L415-Y421 HydrophobicContact CD2-CD1 3.8Å; L415-Y421 HydrophobicContact CD2-CE1 3.38Å; L415-Y421 VanDerWaalsContact O-CE1 3.24Å; L415-Y421 WeakPolarHBondContact O-CE1 3.34Å; L415-Y421 PolarHBondContact O-OH 2.8Å; E417-Y421 WeakPolarHBondContact O-CD1 3.45Å; M418-Y421 HydrophobicContact CG-CE2 4.4Å; M418-Y421 WeakPolarHBondContact O-CB 3.47Å; M418-Y421 PolarHBondContact O-N 3.41Å; Y421-V423 PolarHBondContact O-N 3.22Å; Y421-L424 WeakPolarHBondContact O-CB 3.35Å; Y421-L424 PolarHBondContact O-N 2.98Å; Y421-F425 PolarHBondContact O-N 2.84Å; Y421-F425 VanDerWaalsContact O-N 3.12Å
422	T	98.6	Very high	98.4	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.012	10%	0.102	C	C	.	.	H	α-helix	trans	-66.9	-23.7	175.4	-45.4	0	0	0	0	112.1	M166 L297 G303 Q307 Y420 F425 G426	M166-T422 HydrophobicContact CE-CG2 3.99Å; M166-T422 HydrophobicContact CG-CG2 3.89Å; M166-T422 VanDerWaalsContact SD-C 3.51Å; M166-T422 HydrophobicContact SD-CG2 3.74Å; L297-T422 HydrophobicContact CD2-CG2 4.21Å; L297-T422 HydrophobicContact CG-CG2 3.82Å; G303-T422 PolarHBondContact O-OG1 3.39Å; Q307-T422 PolarHBondContact NE2-OG1 2.86Å; Y420-T422 VanDerWaalsContact C-N 3.28Å; Y420-T422 PolarHBondContact O-N 3.13Å; T422-F425 PolarHBondContact O-N 3.17Å; T422-G426 PolarHBondContact O-N 3.43Å
423	V	98.9	Very high	98.4	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-67.1	-45.3	172	175.6	0	0	0	0	110.4	P165 M166 L169 A214 Y420 Y421 F425 G426 V427	P165-V423 HydrophobicContact CB-CG2 3.86Å; M166-V423 HydrophobicContact CG-CG2 4.41Å; M166-V423 HydrophobicContact SD-CG2 3.89Å; L169-V423 HydrophobicContact CD2-CG1 4.25Å; A214-V423 HydrophobicContact CB-CG1 3.71Å; Y420-V423 HydrophobicContact CD2-CB 3.99Å; Y420-V423 HydrophobicContact CD2-CG1 4.38Å; Y420-V423 HydrophobicContact CD2-CG2 3.93Å; Y420-V423 HydrophobicContact CE1-CB 4.43Å; Y420-V423 HydrophobicContact CE1-CG1 4.46Å; Y420-V423 HydrophobicContact CE2-CB 3.78Å; Y420-V423 HydrophobicContact CE2-CG1 3.66Å; Y420-V423 HydrophobicContact CE2-CG2 3.99Å; Y420-V423 HydrophobicContact CG-CB 4.39Å; Y420-V423 WeakPolarHBondContact O-CA 3.46Å; Y420-V423 VanDerWaalsContact O-CB 3.25Å; Y420-V423 WeakPolarHBondContact O-CB 3.33Å; Y420-V423 PolarHBondContact O-N 3.5Å; Y421-V423 PolarHBondContact O-N 3.22Å; V423-F425 VanDerWaalsContact C-N 3.27Å; V423-F425 PolarHBondContact O-N 3.29Å; V423-G426 WeakPolarHBondContact O-CA 3.45Å; V423-G426 PolarHBondContact O-N 3.41Å; V423-G426 VanDerWaalsContact O-N 3.1Å; V423-V427 HydrophobicContact CG1-CG2 4.49Å; V423-V427 WeakPolarHBondContact O-CG2 3.33Å; V423-V427 PolarHBondContact O-N 2.99Å
424	L	98.8	Very high	98.5	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-59.2	-42.3	175	-59.8	176.6	0	0	0	111	F241 M256 Y259 L410 L415 Y420 Y421 G426 V427 S428	F241-L424 HydrophobicContact CE1-CD2 3.7Å; F241-L424 HydrophobicContact CZ-CD2 3.75Å; M256-L424 HydrophobicContact CE-CD1 4.45Å; M256-L424 HydrophobicContact CE-CD2 4.02Å; M256-L424 HydrophobicContact SD-CD2 4.47Å; Y259-L424 HydrophobicContact CD1-CB 4.44Å; Y259-L424 HydrophobicContact CE1-CB 3.64Å; L410-L424 HydrophobicContact CD1-CD1 3.89Å; L410-L424 HydrophobicContact CD2-CD1 3.69Å; L410-L424 HydrophobicContact CG-CD1 4.46Å; L415-L424 HydrophobicContact CD1-CD1 3.82Å; L415-L424 HydrophobicContact CD2-CD1 4.4Å; Y420-L424 HydrophobicContact CD1-CD2 4.4Å; Y420-L424 HydrophobicContact CD1-CG 4.18Å; Y420-L424 HydrophobicContact CE1-CD2 3.72Å; Y420-L424 HydrophobicContact CE1-CG 3.96Å; Y421-L424 WeakPolarHBondContact O-CB 3.35Å; Y421-L424 PolarHBondContact O-N 2.98Å; L424-G426 VanDerWaalsContact C-N 3.34Å; L424-G426 PolarHBondContact O-N 3.36Å; L424-V427 PolarHBondContact O-N 3.26Å; L424-S428 PolarHBondContact O-N 2.9Å
425	F	98.7	Very high	98.6	Very high	20 Å²	20	13.3 Å²	13.3	9%	0.088	7%	0.067	C	C	.	.	H	α-helix	trans	-61.2	-44.1	174.9	-170.5	-173.1	0	0	0	111.1	Y259 H263 L297 Y421 T422 V423 V427 S428 R429	Y259-F425 PolarHBondContact OH-N 3.18Å; H263-F425 HydrophobicContact CB-CD2 3.79Å; H263-F425 HydrophobicContact CB-CE2 3.9Å; L297-F425 HydrophobicContact CD1-CD1 3.77Å; L297-F425 HydrophobicContact CD1-CE1 3.73Å; L297-F425 HydrophobicContact CD1-CG 4.4Å; L297-F425 HydrophobicContact CD1-CZ 4.33Å; L297-F425 HydrophobicContact CD2-CB 4.42Å; L297-F425 HydrophobicContact CD2-CD1 4.38Å; L297-F425 HydrophobicContact CD2-CG 4.28Å; L297-F425 HydrophobicContact CG-CD1 4.45Å; Y421-F425 PolarHBondContact O-N 2.84Å; Y421-F425 VanDerWaalsContact O-N 3.12Å; T422-F425 PolarHBondContact O-N 3.17Å; V423-F425 VanDerWaalsContact C-N 3.27Å; V423-F425 PolarHBondContact O-N 3.29Å; F425-V427 PolarHBondContact O-N 3.3Å; F425-S428 PolarHBondContact O-N 3.46Å; F425-R429 HydrophobicContact CD2-CB 4.43Å; F425-R429 HydrophobicContact CE2-CB 4.49Å; F425-R429 VanDerWaalsContact O-CB 3.27Å; F425-R429 WeakPolarHBondContact O-CB 3.5Å; F425-R429 PolarHBondContact O-N 2.98Å
426	G	98.8	Very high	98.6	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-57.2	-48.4	174.8	0	0	0	0	0	113.1	F290 M294 T422 V423 L424 S428 R429 A430	F290-G426 WeakPolarHBondContact CZ-O 3.47Å; M294-G426 WeakPolarHBondContact SD-CA 3.34Å; T422-G426 PolarHBondContact O-N 3.43Å; V423-G426 WeakPolarHBondContact O-CA 3.45Å; V423-G426 PolarHBondContact O-N 3.41Å; V423-G426 VanDerWaalsContact O-N 3.1Å; L424-G426 VanDerWaalsContact C-N 3.34Å; L424-G426 PolarHBondContact O-N 3.36Å; G426-S428 VanDerWaalsContact C-N 3.34Å; G426-S428 PolarHBondContact O-N 3.34Å; G426-R429 PolarHBondContact O-N 3.13Å; G426-A430 PolarHBondContact O-N 3.03Å
427	V	98.9	Very high	98.6	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-58.4	-45.5	177.6	174	0	0	0	0	111	L210 A214 W237 F241 L260 V423 L424 F425 A430	L210-V427 HydrophobicContact CB-CG2 4.46Å; A214-V427 HydrophobicContact CB-CG2 3.78Å; W237-V427 HydrophobicContact CH2-CG1 3.43Å; W237-V427 VanDerWaalsContact CH2-CG1 3.43Å; W237-V427 HydrophobicContact CZ2-CG1 3.77Å; W237-V427 HydrophobicContact CZ3-CG1 4.34Å; F241-V427 HydrophobicContact CE1-CB 4.49Å; F241-V427 HydrophobicContact CE1-CG1 4.07Å; F241-V427 HydrophobicContact CZ-CG2 4.27Å; L260-V427 HydrophobicContact CD2-CB 4.36Å; L260-V427 HydrophobicContact CD2-CG1 3.96Å; V423-V427 HydrophobicContact CG1-CG2 4.49Å; V423-V427 WeakPolarHBondContact O-CG2 3.33Å; V423-V427 PolarHBondContact O-N 2.99Å; L424-V427 PolarHBondContact O-N 3.26Å; F425-V427 PolarHBondContact O-N 3.3Å; V427-A430 WeakPolarHBondContact O-CB 3.25Å
428	S	98.9	Very high	98.7	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-62.2	-50.5	174.7	179.5	0	0	0	0	112	L260 H263 C264 L424 F425 G426 A430 L431	L260-S428 WeakPolarHBondContact CA-OG 3.13Å; L260-S428 PolarHBondContact O-OG 2.68Å; H263-S428 WeakPolarHBondContact CA-OG 3.42Å; H263-S428 VanDerWaalsContact CB-OG 3.29Å; H263-S428 WeakPolarHBondContact CB-OG 3.31Å; C264-S428 WeakPolarHBondContact CA-O 3.38Å; C264-S428 WeakPolarHBondContact CA-OG 3.39Å; C264-S428 PolarHBondContact N-OG 3.35Å; L424-S428 PolarHBondContact O-N 2.9Å; F425-S428 PolarHBondContact O-N 3.46Å; G426-S428 VanDerWaalsContact C-N 3.34Å; G426-S428 PolarHBondContact O-N 3.34Å; S428-A430 PolarHBondContact O-N 2.92Å; S428-A430 VanDerWaalsContact O-N 3.13Å; S428-L431 WeakPolarHBondContact O-CB 3.18Å; S428-L431 WeakPolarHBondContact O-CG 3.31Å; S428-L431 PolarHBondContact O-N 2.97Å; S428-L431 VanDerWaalsContact O-N 3.11Å
429	R	98.9	Very high	98.7	Very high	6 Å²	6	7.8 Å²	7.8	2%	0.023	4%	0.037	C	C	.	.	H	α-helix	trans	-61.8	-25.3	-174.2	-176.7	54	60.9	85.5	-7.2	113.1	H263 C264 N270 S272 F425 G426 L431 G432 V433	H263-R429 PolarHBondContact O-NE 2.9Å; C264-R429 WeakPolarHBondContact O-CA 3.37Å; N270-R429 PolarHBondContact OD1-NH1 3.26Å; S272-R429 PolarHBondContact OG-NH1 3.36Å; S272-R429 VanDerWaalsContact OG-NH1 3.07Å; F425-R429 HydrophobicContact CD2-CB 4.43Å; F425-R429 HydrophobicContact CE2-CB 4.49Å; F425-R429 VanDerWaalsContact O-CB 3.27Å; F425-R429 WeakPolarHBondContact O-CB 3.5Å; F425-R429 PolarHBondContact O-N 2.98Å; G426-R429 PolarHBondContact O-N 3.13Å; R429-L431 PolarHBondContact O-N 3.06Å; R429-G432 PolarHBondContact O-N 2.91Å; R429-V433 HydrophobicContact CG-CG1 3.88Å; R429-V433 WeakPolarHBondContact O-CG2 3.41Å; R429-V433 PolarHBondContact O-N 2.93Å; R429-V433 VanDerWaalsContact O-N 3.11Å
430	A	98.9	Very high	98.8	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-51.8	-39.3	174.3	0	0	0	0	0	112.6	I207 L210 F290 G426 V427 S428 G432 L434	I207-A430 HydrophobicContact CG1-CB 4.46Å; L210-A430 HydrophobicContact CD1-CB 3.3Å; F290-A430 HydrophobicContact CD2-CB 4.25Å; F290-A430 VanDerWaalsContact CE2-CA 3.46Å; F290-A430 HydrophobicContact CE2-CB 3.47Å; F290-A430 VanDerWaalsContact CE2-CB 3.47Å; F290-A430 HydrophobicContact CZ-CB 3.7Å; G426-A430 PolarHBondContact O-N 3.03Å; V427-A430 WeakPolarHBondContact O-CB 3.25Å; S428-A430 PolarHBondContact O-N 2.92Å; S428-A430 VanDerWaalsContact O-N 3.13Å; A430-G432 PolarHBondContact O-N 2.93Å; A430-L434 HydrophobicContact CB-CD1 4.19Å; A430-L434 WeakPolarHBondContact O-CB 3.4Å; A430-L434 WeakPolarHBondContact O-CG 3.46Å; A430-L434 PolarHBondContact O-N 3.34Å
431	L	98.9	Very high	98.8	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-59.2	-46.3	-178.7	-57.2	177.3	0	0	0	111.7	P117 I120 F121 I207 W237 C264 S428 R429 A435	P117-L431 HydrophobicContact CB-CD1 3.74Å; I120-L431 HydrophobicContact CG2-CD1 3.93Å; F121-L431 HydrophobicContact CB-CD2 4.24Å; F121-L431 HydrophobicContact CD2-CB 4.2Å; F121-L431 HydrophobicContact CD2-CD2 4.14Å; F121-L431 WeakPolarHBondContact CD2-O 3.38Å; F121-L431 HydrophobicContact CG-CD2 4.35Å; I207-L431 HydrophobicContact CD1-CD2 4.21Å; I207-L431 HydrophobicContact CG1-CD2 4.44Å; I207-L431 HydrophobicContact CG2-CD2 3.69Å; W237-L431 HydrophobicContact CH2-CD2 4.22Å; W237-L431 HydrophobicContact CH2-CG 4.48Å; W237-L431 HydrophobicContact CZ3-CD1 4.16Å; W237-L431 HydrophobicContact CZ3-CD2 4.31Å; W237-L431 HydrophobicContact CZ3-CG 4.49Å; C264-L431 HydrophobicContact CB-CB 4.08Å; C264-L431 HydrophobicContact CB-CD1 4.15Å; S428-L431 WeakPolarHBondContact O-CB 3.18Å; S428-L431 WeakPolarHBondContact O-CG 3.31Å; S428-L431 PolarHBondContact O-N 2.97Å; S428-L431 VanDerWaalsContact O-N 3.11Å; R429-L431 PolarHBondContact O-N 3.06Å; L431-A435 WeakPolarHBondContact O-CB 3.25Å; L431-A435 PolarHBondContact O-N 3.14Å
432	G	98.9	Very high	98.8	Very high	0 Å²	0	3.7 Å²	3.7	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-73.6	-51.3	179.5	0	0	0	0	0	113.5	C264 R429 A430 L434 A435 S436	C264-G432 VanDerWaalsContact O-CA 3.24Å; C264-G432 WeakPolarHBondContact O-CA 3.22Å; C264-G432 PolarHBondContact O-N 3.24Å; R429-G432 PolarHBondContact O-N 2.91Å; A430-G432 PolarHBondContact O-N 2.93Å; G432-L434 VanDerWaalsContact C-N 3.32Å; G432-L434 PolarHBondContact O-N 3.13Å; G432-A435 PolarHBondContact O-N 3.41Å; G432-S436 PolarHBondContact O-N 3.36Å
433	V	98.9	Very high	98.8	Very high	6 Å²	6	5.1 Å²	5.1	4%	0.036	3%	0.026	C	C	.	.	H	α-helix	trans	-67.8	-34.3	-173.8	-58.6	0	0	0	0	112.2	A273 C276 F290 R429 L437	A273-V433 HydrophobicContact CB-CG1 3.88Å; C276-V433 HydrophobicContact CB-CB 4Å; C276-V433 HydrophobicContact CB-CG1 4.48Å; C276-V433 HydrophobicContact CB-CG2 4.35Å; F290-V433 HydrophobicContact CD2-CG2 3.8Å; F290-V433 HydrophobicContact CE2-CG2 4.08Å; R429-V433 HydrophobicContact CG-CG1 3.88Å; R429-V433 WeakPolarHBondContact O-CG2 3.41Å; R429-V433 PolarHBondContact O-N 2.93Å; R429-V433 VanDerWaalsContact O-N 3.11Å; V433-L437 WeakPolarHBondContact O-CB 3.07Å; V433-L437 PolarHBondContact O-N 3.38Å
434	L	98.9	Very high	98.7	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-78.4	-34.5	177.5	-61.4	176.5	0	0	0	111.9	L206 I207 P286 F290 A430 G432 S436 L437 I438	L206-L434 HydrophobicContact CB-CD1 4.36Å; L206-L434 HydrophobicContact CD2-CD1 3.85Å; L206-L434 HydrophobicContact CD2-CD2 4.35Å; L206-L434 HydrophobicContact CG-CD1 4.14Å; I207-L434 HydrophobicContact CD1-CB 4.32Å; I207-L434 HydrophobicContact CD1-CD1 4.03Å; I207-L434 HydrophobicContact CG1-CD1 3.62Å; P286-L434 HydrophobicContact CB-CD2 4Å; F290-L434 HydrophobicContact CB-CD2 4.36Å; A430-L434 HydrophobicContact CB-CD1 4.19Å; A430-L434 WeakPolarHBondContact O-CB 3.4Å; A430-L434 WeakPolarHBondContact O-CG 3.46Å; A430-L434 PolarHBondContact O-N 3.34Å; G432-L434 VanDerWaalsContact C-N 3.32Å; G432-L434 PolarHBondContact O-N 3.13Å; L434-S436 VanDerWaalsContact C-N 3.32Å; L434-S436 PolarHBondContact O-N 3.4Å; L434-L437 HydrophobicContact CD2-CD2 4.22Å; L434-L437 PolarHBondContact O-N 2.74Å; L434-I438 WeakPolarHBondContact O-CD1 3.43Å; L434-I438 VanDerWaalsContact O-CG1 3.29Å; L434-I438 WeakPolarHBondContact O-CG1 3.38Å; L434-I438 PolarHBondContact O-N 3.27Å
435	A	98.9	Very high	98.7	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-60.1	-43.6	169	0	0	0	0	0	111.3	T83 F121 L124 L125 L431 G432 I438 W439	T83-A435 HydrophobicContact CG2-CB 4.02Å; F121-A435 HydrophobicContact CD2-CB 4.4Å; F121-A435 HydrophobicContact CE2-CB 4.08Å; L124-A435 HydrophobicContact CB-CB 3.9Å; L125-A435 HydrophobicContact CD2-CB 3.95Å; L125-A435 HydrophobicContact CG-CB 4.04Å; L431-A435 WeakPolarHBondContact O-CB 3.25Å; L431-A435 PolarHBondContact O-N 3.14Å; G432-A435 PolarHBondContact O-N 3.41Å; A435-I438 PolarHBondContact O-N 2.92Å; A435-W439 PolarHBondContact O-N 3.26Å
436	S	98.8	Very high	98.7	Very high	13 Å²	13	11.6 Å²	11.6	9%	0.091	7%	0.072	C	C	.	.	H	α-helix	trans	-63.2	-44.5	174.5	-167.1	0	0	0	0	111.4	G432 L434 I438 W439 D440	G432-S436 PolarHBondContact O-N 3.36Å; L434-S436 VanDerWaalsContact C-N 3.32Å; L434-S436 PolarHBondContact O-N 3.4Å; S436-I438 VanDerWaalsContact C-N 3.31Å; S436-I438 PolarHBondContact O-N 2.86Å; S436-W439 CarbonylContact O-C 3.12Å; S436-W439 WeakPolarHBondContact O-CA 3.37Å; S436-W439 WeakPolarHBondContact O-CB 3.17Å; S436-W439 PolarHBondContact O-N 3.48Å; S436-D440 VanDerWaalsContact O-CG 3.26Å; S436-D440 PolarHBondContact O-N 3.34Å
437	L	98.8	Very high	98.7	Very high	3 Å²	3	15.4 Å²	15.4	2%	0.016	9%	0.091	C	C	.	.	H	α-helix	trans	-62	-36.4	-179.3	-174.3	64.7	0	0	0	112.9	V199 P286 V433 L434 D440 R441	V199-L437 HydrophobicContact CG1-CD2 4.46Å; V199-L437 HydrophobicContact CG1-CG 4.13Å; P286-L437 HydrophobicContact CB-CD2 4.18Å; P286-L437 HydrophobicContact CG-CD2 4.03Å; V433-L437 WeakPolarHBondContact O-CB 3.07Å; V433-L437 PolarHBondContact O-N 3.38Å; L434-L437 HydrophobicContact CD2-CD2 4.22Å; L434-L437 PolarHBondContact O-N 2.74Å; L437-D440 PolarHBondContact O-N 3.03Å; L437-R441 PolarHBondContact O-N 2.91Å
438	I	98.9	Very high	98.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-60.4	-47.2	172.1	-68.7	160.6	0	0	0	110.1	M38 L125 W196 V199 Y200 L434 A435 S436 D440 R441 A442	M38-I438 HydrophobicContact CE-CG2 3.88Å; L125-I438 HydrophobicContact CD1-CD1 4.49Å; L125-I438 HydrophobicContact CD2-CB 4.12Å; L125-I438 HydrophobicContact CD2-CD1 3.77Å; L125-I438 HydrophobicContact CD2-CG2 4.11Å; W196-I438 HydrophobicContact CE3-CG2 4.47Å; V199-I438 HydrophobicContact CG1-CG1 4.02Å; Y200-I438 HydrophobicContact CD2-CD1 4.11Å; L434-I438 WeakPolarHBondContact O-CD1 3.43Å; L434-I438 VanDerWaalsContact O-CG1 3.29Å; L434-I438 WeakPolarHBondContact O-CG1 3.38Å; L434-I438 PolarHBondContact O-N 3.27Å; A435-I438 PolarHBondContact O-N 2.92Å; S436-I438 VanDerWaalsContact C-N 3.31Å; S436-I438 PolarHBondContact O-N 2.86Å; I438-D440 PolarHBondContact O-N 2.78Å; I438-R441 PolarHBondContact O-N 2.76Å; I438-A442 WeakPolarHBondContact O-CB 3.02Å; I438-A442 PolarHBondContact O-N 3.02Å
439	W	98.8	Very high	98.6	Very high	8 Å²	8	26.5 Å²	26.5	3%	0.03	14%	0.135	C	C	.	.	H	α-helix	trans	-64.4	-36.7	176.3	-83.9	102.6	0	0	0	113	M38 L41 I42 E45 L125 A435 S436 R441 A442 L443	M38-W439 HydrophobicContact CE-CD2 4.44Å; M38-W439 HydrophobicContact CE-CZ2 3.94Å; M38-W439 HydrophobicContact SD-CZ2 4.21Å; L41-W439 HydrophobicContact CB-CH2 4.43Å; I42-W439 HydrophobicContact CG1-CH2 4.29Å; I42-W439 HydrophobicContact CG1-CZ3 4.2Å; E45-W439 HydrophobicContact CB-CH2 3.98Å; E45-W439 HydrophobicContact CB-CZ3 3.7Å; E45-W439 HydrophobicContact CG-CH2 4.22Å; E45-W439 HydrophobicContact CG-CZ3 3.82Å; L125-W439 VanDerWaalsContact O-CE2 3.3Å; L125-W439 VanDerWaalsContact O-CZ2 3.26Å; L125-W439 WeakPolarHBondContact O-CZ2 3.37Å; L125-W439 PolarHBondContact O-NE1 3.43Å; A435-W439 PolarHBondContact O-N 3.26Å; S436-W439 CarbonylContact O-C 3.12Å; S436-W439 WeakPolarHBondContact O-CA 3.37Å; S436-W439 WeakPolarHBondContact O-CB 3.17Å; S436-W439 PolarHBondContact O-N 3.48Å; W439-R441 VanDerWaalsContact C-N 3.26Å; W439-R441 PolarHBondContact O-N 3.36Å; W439-A442 HydrophobicContact CE3-CB 4.31Å; W439-A442 PolarHBondContact O-N 3.45Å; W439-L443 HydrophobicContact CE3-CD1 4.43Å; W439-L443 HydrophobicContact CE3-CD2 4.35Å; W439-L443 HydrophobicContact CE3-CG 4.11Å; W439-L443 HydrophobicContact CZ3-CD2 4.46Å; W439-L443 WeakPolarHBondContact O-CB 3.43Å; W439-L443 WeakPolarHBondContact O-CG 3.24Å; W439-L443 PolarHBondContact O-N 3.28Å
440	D	98.7	Very high	98.6	Very high	6 Å²	6	30.1 Å²	30.1	3%	0.032	16%	0.159	C	C	.	.	H	α-helix	trans	-58.6	-40.8	176.4	-64.6	-18.5	0	0	0	111.6	H277 S436 L437 I438 G444 L445	H277-D440 IonicContact CE1-OD1 3.27Å; H277-D440 IonicContact CE1-OD2 2.76Å; H277-D440 IonicContact CG-OD2 2.74Å; H277-D440 IonicContact ND1-OD1 3.25Å; H277-D440 IonicContact ND1-OD2 3.73Å; H277-D440 PolarHBondContact ND1-OD2 3.17Å; S436-D440 VanDerWaalsContact O-CG 3.26Å; S436-D440 PolarHBondContact O-N 3.34Å; L437-D440 PolarHBondContact O-N 3.03Å; I438-D440 PolarHBondContact O-N 2.78Å; D440-G444 PolarHBondContact O-N 2.99Å; D440-L445 HydrophobicContact CB-CD1 4.07Å; D440-L445 HydrophobicContact CB-CG 4.47Å; D440-L445 PolarHBondContact O-N 3.14Å; D440-L445 WeakPolarHBondContact OD1-CD1 3.44Å
441	R	98.6	Very high	98.5	Very high	10 Å²	10	38.5 Å²	38.5	4%	0.038	20%	0.196	C	C	.	.	H	α-helix	trans	-75.9	-38.4	176	-60.9	-62.5	78.3	72.4	-2	112.3	W196 V199 G280 L437 I438 W439 G444	W196-R441 HydrophobicContact CB-CB 4.12Å; V199-R441 HydrophobicContact CB-CG 4.13Å; V199-R441 HydrophobicContact CG1-CG 4.07Å; V199-R441 HydrophobicContact CG2-CG 3.78Å; G280-R441 PolarHBondContact O-NH1 2.69Å; G280-R441 VanDerWaalsContact O-NH1 3.1Å; L437-R441 PolarHBondContact O-N 2.91Å; I438-R441 PolarHBondContact O-N 2.76Å; W439-R441 VanDerWaalsContact C-N 3.26Å; W439-R441 PolarHBondContact O-N 3.36Å; R441-G444 PolarHBondContact O-N 3.05Å; R441-G444 VanDerWaalsContact O-N 3.1Å
442	A	98.6	Very high	98.4	Very high	3 Å²	3	43.3 Å²	43.3	3%	0.025	23%	0.229	C	C	.	.	H	α-helix	trans	-63.7	-42.3	177.5	0	0	0	0	0	112	I42 Q46 W196 I438 W439 G444	I42-A442 HydrophobicContact CD1-CB 3.69Å; I42-A442 HydrophobicContact CG1-CB 3.81Å; I42-A442 HydrophobicContact CG2-CB 4.05Å; Q46-A442 PolarHBondContact NE2-O 3.48Å; W196-A442 HydrophobicContact CB-CB 3.83Å; W196-A442 HydrophobicContact CG-CB 4.13Å; I438-A442 WeakPolarHBondContact O-CB 3.02Å; I438-A442 PolarHBondContact O-N 3.02Å; W439-A442 HydrophobicContact CE3-CB 4.31Å; W439-A442 PolarHBondContact O-N 3.45Å; A442-G444 PolarHBondContact O-N 3.35Å
443	L	98.4	Very high	98.4	Very high	32 Å²	32	46.5 Å²	46.5	17%	0.168	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-7.6	174.6	-64	175.9	0	0	0	112.8	E45 Q46 V49 E82 W439 L445	E45-L443 HydrophobicContact CG-CD2 4.24Å; Q46-L443 HydrophobicContact CG-CD2 4.4Å; V49-L443 HydrophobicContact CG2-CD2 4.08Å; E82-L443 HydrophobicContact CG-CD1 4.33Å; W439-L443 HydrophobicContact CE3-CD1 4.43Å; W439-L443 HydrophobicContact CE3-CD2 4.35Å; W439-L443 HydrophobicContact CE3-CG 4.11Å; W439-L443 HydrophobicContact CZ3-CD2 4.46Å; W439-L443 WeakPolarHBondContact O-CB 3.43Å; W439-L443 WeakPolarHBondContact O-CG 3.24Å; W439-L443 PolarHBondContact O-N 3.28Å; L443-L445 VanDerWaalsContact C-N 3.29Å; L443-L445 HydrophobicContact CB-CD2 4.01Å; L443-L445 HydrophobicContact CB-CG 4.14Å; L443-L445 PolarHBondContact O-N 3.31Å
444	G	97.8	Very high	98.4	Very high	23 Å²	23	49.1 Å²	49.1	24%	0.237	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	64	33.6	179.5	0	0	0	0	0	113.2	K192 D440 R441 A442	K192-G444 PolarHBondContact NZ-O 3.13Å; D440-G444 PolarHBondContact O-N 2.99Å; R441-G444 PolarHBondContact O-N 3.05Å; R441-G444 VanDerWaalsContact O-N 3.1Å; A442-G444 PolarHBondContact O-N 3.35Å
445	L	98.2	Very high	98.3	Very high	40 Å²	40	51.8 Å²	51.8	21%	0.209	28%	0.281	C	S	.	.			trans	-55	139.2	-179.7	-61.4	-171.4	0	0	0	110.6	D440 L443	D440-L445 HydrophobicContact CB-CD1 4.07Å; D440-L445 HydrophobicContact CB-CG 4.47Å; D440-L445 PolarHBondContact O-N 3.14Å; D440-L445 WeakPolarHBondContact OD1-CD1 3.44Å; L443-L445 VanDerWaalsContact C-N 3.29Å; L443-L445 HydrophobicContact CB-CD2 4.01Å; L443-L445 HydrophobicContact CB-CG 4.14Å; L443-L445 PolarHBondContact O-N 3.31Å
446	P	98.1	Very high	98.3	Very high	94 Å²	94	58 Å²	58	61%	0.61	31%	0.31	S	S	*	.			trans	-75.9	174.9	-175	34.4	-37	0	0	0	111.7	E448	P446-E448 PolarHBondContact O-N 3.24Å
447	I	98.5	Very high	98.3	Very high	79 Å²	79	59.1 Å²	59.1	41%	0.405	32%	0.32	S	S	.	.			trans	-58	132.5	166.7	-171	171.3	0	0	0	110.8	S281	S281-I447 WeakPolarHBondContact O-CA 3.31Å
448	E	98.7	Very high	98.2	Very high	43 Å²	43	59.5 Å²	59.5	20%	0.201	32%	0.322	C	S	.	.			trans	-75.5	126.2	172.3	-171.1	-174.9	122	0	0	109.5	H274 H277 L278 S281 P446	H274-E448 IonicContact CD2-OE1 2.55Å; H274-E448 IonicContact CD2-OE2 2.81Å; H274-E448 IonicContact CE1-OE1 2.78Å; H274-E448 PolarHBondContact CE1-OE1 3.45Å; H274-E448 VanDerWaalsContact NE2-CD 3.28Å; H274-E448 IonicContact NE2-OE1 3.53Å; H274-E448 PolarHBondContact NE2-OE1 3.32Å; H274-E448 IonicContact NE2-OE2 3.29Å; H274-E448 PolarHBondContact NE2-OE2 2.99Å; H277-E448 IonicContact CD2-OE2 3.22Å; H277-E448 PolarHBondContact CD2-OE2 3.06Å; H277-E448 VanDerWaalsContact CD2-OE2 3.27Å; H277-E448 IonicContact NE2-OE2 2.97Å; L278-E448 HydrophobicContact CD1-CB 3.89Å; L278-E448 HydrophobicContact CD1-CG 4.22Å; S281-E448 PolarHBondContact OG-N 3.02Å; P446-E448 PolarHBondContact O-N 3.24Å
449	R	98	Very high	98.2	Very high	190 Å²	190	65 Å²	65	72%	0.717	35%	0.349	S	S	*	.			trans	-152.3	66.7	-173.7	-162	-175.6	-59.9	-177.1	0.5	112.7
450	P	97.8	Very high	98.1	Very high	82 Å²	82	71.2 Å²	71.2	53%	0.532	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-60.6	150.1	176.5	28.1	-35.9	0	0	0	111.2	M73	M73-P450 HydrophobicContact CE-CB 4.23Å; M73-P450 HydrophobicContact CE-CG 4.27Å
451	K	97.5	Very high	98	Very high	176 Å²	176	74.7 Å²	74.7	77%	0.765	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-84.5	124.3	175.5	-178.5	64.1	178	-179.4	0	109.7
452	S	97.8	Very high	97.9	Very high	101 Å²	101	77.8 Å²	77.8	71%	0.706	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-88.5	153.1	168.5	61.8	0	0	0	0	111.7
453	L	97.6	Very high	97.7	Very high	68 Å²	68	82.4 Å²	82.4	36%	0.356	44%	0.439	S	S	.	.			trans	-137.4	143.4	172.4	-66.2	176.7	0	0	0	108.8	M69 A457 L458 L461	M69-L453 HydrophobicContact CE-CB 4.16Å; M69-L453 HydrophobicContact CE-CD1 4.14Å; M69-L453 HydrophobicContact CE-CG 4.33Å; L453-A457 HydrophobicContact CB-CB 4.3Å; L453-A457 HydrophobicContact CD2-CB 4.21Å; L453-L458 HydrophobicContact CB-CD2 4.07Å; L453-L458 HydrophobicContact CB-CG 3.9Å; L453-L458 HydrophobicContact CD1-CD2 3.6Å; L453-L458 HydrophobicContact CD1-CG 4.29Å; L453-L458 HydrophobicContact CG-CD2 4.48Å; L453-L461 HydrophobicContact CD1-CD2 3.93Å
454	S	98.3	Very high	97.5	Very high	60 Å²	60	83.5 Å²	83.5	42%	0.42	45%	0.445	S	S	.	.			trans	-76.7	166.6	168.7	81.1	0	0	0	0	110.9	E456 A457 L458	S454-E456 VanDerWaalsContact C-N 3.29Å; S454-E456 WeakPolarHBondContact CB-OE2 3.44Å; S454-E456 PolarHBondContact O-N 3.28Å; S454-E456 PolarHBondContact OG-N 3.41Å; S454-E456 PolarHBondContact OG-OE2 2.9Å; S454-A457 PolarHBondContact O-N 3Å; S454-A457 PolarHBondContact OG-N 3.23Å; S454-L458 PolarHBondContact O-N 3.41Å
455	T	98.6	Very high	97.3	Very high	56 Å²	56	86.1 Å²	86.1	34%	0.344	45%	0.453	S	S	.	.	H	α-helix	trans	-54.4	-45	172.9	-59.2	0	0	0	0	111.7	Y70 A457 L458 M459	Y70-T455 WeakPolarHBondContact OH-CA 3.22Å; Y70-T455 VanDerWaalsContact OH-CB 3.31Å; Y70-T455 WeakPolarHBondContact OH-CB 3.38Å; Y70-T455 WeakPolarHBondContact OH-CG2 3.45Å; Y70-T455 PolarHBondContact OH-OG1 3.5Å; T455-A457 PolarHBondContact O-N 3.17Å; T455-L458 PolarHBondContact O-N 2.81Å; T455-M459 HydrophobicContact CG2-CE 3.76Å; T455-M459 HydrophobicContact CG2-SD 4.29Å; T455-M459 WeakPolarHBondContact O-CG 3.32Å; T455-M459 PolarHBondContact O-N 3.01Å
456	E	98.3	Very high	96.8	Very high	132 Å²	132	86.3 Å²	86.3	62%	0.617	46%	0.464	S	S	*	.	H	α-helix	trans	-65.1	-40.1	179.3	-57.8	73.4	-159.7	0	0	111.6	S454 L458 M459 K460	S454-E456 VanDerWaalsContact C-N 3.29Å; S454-E456 WeakPolarHBondContact CB-OE2 3.44Å; S454-E456 PolarHBondContact O-N 3.28Å; S454-E456 PolarHBondContact OG-N 3.41Å; S454-E456 PolarHBondContact OG-OE2 2.9Å; E456-L458 VanDerWaalsContact C-N 3.34Å; E456-M459 PolarHBondContact O-N 3Å; E456-K460 WeakPolarHBondContact O-CB 3.4Å; E456-K460 PolarHBondContact O-N 3.08Å
457	A	98	Very high	96.3	Very high	35 Å²	35	90.8 Å²	90.8	29%	0.289	47%	0.469	S	S	.	.	H	α-helix	trans	-65.5	-38.6	176.4	0	0	0	0	0	111.6	L453 S454 T455 L461	L453-A457 HydrophobicContact CB-CB 4.3Å; L453-A457 HydrophobicContact CD2-CB 4.21Å; S454-A457 PolarHBondContact O-N 3Å; S454-A457 PolarHBondContact OG-N 3.23Å; T455-A457 PolarHBondContact O-N 3.17Å; A457-L461 VanDerWaalsContact O-CB 3.27Å; A457-L461 WeakPolarHBondContact O-CB 3.43Å; A457-L461 PolarHBondContact O-N 3.12Å
458	L	97.6	Very high	95.5	Very high	12 Å²	12	95.6 Å²	95.6	6%	0.063	49%	0.487	C	S	.	.	H	α-helix	trans	-66.2	-45.6	173.7	-74.9	171.8	0	0	0	112	M69 Y70 L453 S454 T455 E456 K460 L461 V462	M69-L458 HydrophobicContact CE-CD1 4.34Å; M69-L458 HydrophobicContact CE-CD2 3.87Å; M69-L458 HydrophobicContact SD-CD1 4.42Å; M69-L458 HydrophobicContact SD-CD2 3.59Å; M69-L458 VanDerWaalsContact SD-CD2 3.59Å; Y70-L458 HydrophobicContact CE2-CD1 3.99Å; L453-L458 HydrophobicContact CB-CD2 4.07Å; L453-L458 HydrophobicContact CB-CG 3.9Å; L453-L458 HydrophobicContact CD1-CD2 3.6Å; L453-L458 HydrophobicContact CD1-CG 4.29Å; L453-L458 HydrophobicContact CG-CD2 4.48Å; S454-L458 PolarHBondContact O-N 3.41Å; T455-L458 PolarHBondContact O-N 2.81Å; E456-L458 VanDerWaalsContact C-N 3.34Å; L458-K460 VanDerWaalsContact C-N 3.32Å; L458-K460 PolarHBondContact O-N 2.86Å; L458-L461 WeakPolarHBondContact O-CB 3.46Å; L458-L461 PolarHBondContact O-N 3.08Å; L458-V462 WeakPolarHBondContact O-CG2 3.47Å; L458-V462 PolarHBondContact O-N 3.43Å
459	M	97.9	Very high	94.4	Very high	116 Å²	116	101.4 Å²	101.4	57%	0.571	51%	0.514	S	S	*	.	H	α-helix	trans	-57.7	-46.4	175.1	-73.5	177.2	174.3	0	0	111.2	T455 E456 V462 N463	T455-M459 HydrophobicContact CG2-CE 3.76Å; T455-M459 HydrophobicContact CG2-SD 4.29Å; T455-M459 WeakPolarHBondContact O-CG 3.32Å; T455-M459 PolarHBondContact O-N 3.01Å; E456-M459 PolarHBondContact O-N 3Å; M459-V462 PolarHBondContact O-N 3.3Å; M459-N463 WeakPolarHBondContact O-CB 3.42Å; M459-N463 PolarHBondContact O-N 3.31Å; M459-N463 PolarHBondContact O-ND2 3.34Å; M459-N463 VanDerWaalsContact O-ND2 3.14Å
460	K	97.4	Very high	92.8	Very high	137 Å²	137	98 Å²	98	60%	0.596	54%	0.537	S	S	*	.	H	α-helix	trans	-60.3	-46.9	175.1	-172.4	-173.8	175.1	-165.9	0	111.3	E456 L458 V462 N463 D464	E456-K460 WeakPolarHBondContact O-CB 3.4Å; E456-K460 PolarHBondContact O-N 3.08Å; L458-K460 VanDerWaalsContact C-N 3.32Å; L458-K460 PolarHBondContact O-N 2.86Å; K460-V462 PolarHBondContact O-N 3.49Å; K460-N463 PolarHBondContact O-N 3.27Å; K460-D464 WeakPolarHBondContact O-CB 3.31Å; K460-D464 VanDerWaalsContact O-CG 3.26Å; K460-D464 PolarHBondContact O-N 2.75Å
461	L	96.2	Very high	92.5	Very high	80 Å²	80	98.8 Å²	98.8	42%	0.419	54%	0.537	S	S	.	.	H	α-helix	trans	-59.7	-46.8	179.7	177.8	62.3	0	0	0	112.1	L453 A457 L458 D464 I465	L453-L461 HydrophobicContact CD1-CD2 3.93Å; A457-L461 VanDerWaalsContact O-CB 3.27Å; A457-L461 WeakPolarHBondContact O-CB 3.43Å; A457-L461 PolarHBondContact O-N 3.12Å; L458-L461 WeakPolarHBondContact O-CB 3.46Å; L458-L461 PolarHBondContact O-N 3.08Å; L461-D464 PolarHBondContact O-N 3.13Å; L461-I465 HydrophobicContact CD1-CD1 4.06Å; L461-I465 HydrophobicContact CD1-CG1 4.37Å; L461-I465 HydrophobicContact CG-CD1 3.95Å; L461-I465 VanDerWaalsContact O-CG1 3.26Å; L461-I465 WeakPolarHBondContact O-CG1 3.39Å; L461-I465 PolarHBondContact O-N 3.22Å
462	V	96	Very high	92.3	Very high	74 Å²	74	94.7 Å²	94.7	45%	0.448	53%	0.525	S	S	.	.	H	α-helix	trans	-63.8	-43.2	178.3	172.9	0	0	0	0	110.8	V66 L458 M459 K460 D464 I465 G466	V66-V462 HydrophobicContact CG2-CG2 4.02Å; L458-V462 WeakPolarHBondContact O-CG2 3.47Å; L458-V462 PolarHBondContact O-N 3.43Å; M459-V462 PolarHBondContact O-N 3.3Å; K460-V462 PolarHBondContact O-N 3.49Å; V462-D464 VanDerWaalsContact C-N 3.34Å; V462-D464 PolarHBondContact O-N 3.01Å; V462-I465 PolarHBondContact O-N 3.32Å; V462-G466 PolarHBondContact O-N 2.95Å
463	N	95.4	Very high	91.9	Very high	100 Å²	100	94.3 Å²	94.3	54%	0.535	52%	0.515	S	S	.	.	H	α-helix	trans	-61	-42.3	175	-73.3	-28.1	0	0	0	112	M459 K460 G466 R467	M459-N463 WeakPolarHBondContact O-CB 3.42Å; M459-N463 PolarHBondContact O-N 3.31Å; M459-N463 PolarHBondContact O-ND2 3.34Å; M459-N463 VanDerWaalsContact O-ND2 3.14Å; K460-N463 PolarHBondContact O-N 3.27Å; N463-G466 PolarHBondContact O-N 3.07Å; N463-R467 WeakPolarHBondContact O-CG 3.36Å; N463-R467 PolarHBondContact O-N 3.31Å; N463-R467 VanDerWaalsContact O-N 3.08Å
464	D	94.8	Very high	91.6	Very high	56 Å²	56	95.9 Å²	95.9	30%	0.299	53%	0.525	S	S	.	.	H	α-helix	trans	-68.5	-33.8	178.4	-72	-17.7	0	0	0	112.2	K460 L461 V462 R467 K468	K460-D464 WeakPolarHBondContact O-CB 3.31Å; K460-D464 VanDerWaalsContact O-CG 3.26Å; K460-D464 PolarHBondContact O-N 2.75Å; L461-D464 PolarHBondContact O-N 3.13Å; V462-D464 VanDerWaalsContact C-N 3.34Å; V462-D464 PolarHBondContact O-N 3.01Å; D464-R467 IonicContact OD1-NH1 3.86Å; D464-K468 WeakPolarHBondContact O-CG 3.39Å; D464-K468 PolarHBondContact O-N 3.14Å
465	I	92.3	Very high	91.2	Very high	78 Å²	78	98.1 Å²	98.1	40%	0.4	53%	0.531	S	S	.	.	H	α-helix	trans	-67.5	-46.5	172.8	-69.3	164.1	0	0	0	110.4	L461 V462 R467 K468 Q469	L461-I465 HydrophobicContact CD1-CD1 4.06Å; L461-I465 HydrophobicContact CD1-CG1 4.37Å; L461-I465 HydrophobicContact CG-CD1 3.95Å; L461-I465 VanDerWaalsContact O-CG1 3.26Å; L461-I465 WeakPolarHBondContact O-CG1 3.39Å; L461-I465 PolarHBondContact O-N 3.22Å; V462-I465 PolarHBondContact O-N 3.32Å; I465-R467 VanDerWaalsContact C-N 3.31Å; I465-R467 PolarHBondContact O-N 2.94Å; I465-K468 PolarHBondContact O-N 3.18Å; I465-Q469 PolarHBondContact O-N 2.91Å
466	G	87.6	Confident	90.7	Very high	43 Å²	43	100.9 Å²	100.9	44%	0.443	54%	0.544	S	S	.	.	H	α-helix	trans	-59	-40.9	178.8	0	0	0	0	0	112.7	V462 N463 K468 Q469 G470	V462-G466 PolarHBondContact O-N 2.95Å; N463-G466 PolarHBondContact O-N 3.07Å; G466-K468 VanDerWaalsContact C-N 3.26Å; G466-K468 PolarHBondContact O-N 3.13Å; G466-Q469 PolarHBondContact O-N 3.02Å; G466-G470 PolarHBondContact O-N 3.11Å
467	R	87.2	Confident	90.2	Very high	189 Å²	189	98.7 Å²	98.7	71%	0.713	54%	0.538	S	S	*	.	H	α-helix	trans	-67	-19.2	175.1	-72.3	175.8	-174.9	169.8	-0.8	114.9	N463 D464 I465	N463-R467 WeakPolarHBondContact O-CG 3.36Å; N463-R467 PolarHBondContact O-N 3.31Å; N463-R467 VanDerWaalsContact O-N 3.08Å; D464-R467 IonicContact OD1-NH1 3.86Å; I465-R467 VanDerWaalsContact C-N 3.31Å; I465-R467 PolarHBondContact O-N 2.94Å
468	K	82.3	Confident	89.6	Confident	180 Å²	180	103.6 Å²	103.6	78%	0.783	56%	0.558	S	S	*	*	H	α-helix	trans	-91.5	-16.3	177.3	-74.1	178.4	-179.9	-179	0	112.9	D464 I465 G466	D464-K468 WeakPolarHBondContact O-CG 3.39Å; D464-K468 PolarHBondContact O-N 3.14Å; I465-K468 PolarHBondContact O-N 3.18Å; G466-K468 VanDerWaalsContact C-N 3.26Å; G466-K468 PolarHBondContact O-N 3.13Å
469	Q	76.8	Confident	88.9	Confident	165 Å²	165	111.3 Å²	111.3	77%	0.771	60%	0.599	S	S	*	*	H	α-helix	trans	-99.5	-23.3	-179	-68.8	-177.7	0.4	0	0	113.1	I465 G466	I465-Q469 PolarHBondContact O-N 2.91Å; G466-Q469 PolarHBondContact O-N 3.02Å
470	G	62.8	Low	88.1	Confident	117 Å²	117	110.8 Å²	110.8	100%	1.206	60%	0.601	S	S	*	*			trans	-91.5	0	165	0	0	0	0	0	110.9	G466	G466-G470 PolarHBondContact O-N 3.11Å

Retrieved 470 of 470 residues in 102.5 ms (Link to these results)

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