A0A077ZIT9_TRITR Loading...

Very long chain specific acyl coenzyme A dehydrog enase

AlphaFold DB , UniProt , Accession A0A077ZIT9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 576 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	32.3	Very low	33.5	Very low	77 Å²	77	123.2 Å²	123.2	38%	0.379	58%	0.58	S	S	.	*				0	-48.5	0	-85	-174.2	-91.1	0	0	109.2	R3 F4 F5 C459 K514 L517	M1-R3 VanDerWaalsContact C-N 3.3Å; M1-R3 PolarHBondContact O-N 2.96Å; M1-F4 VanDerWaalsContact O-CB 3.29Å; M1-F4 WeakPolarHBondContact O-CB 3.42Å; M1-F4 PolarHBondContact O-N 3.27Å; M1-F5 VanDerWaalsContact O-CD2 3.22Å; M1-F5 WeakPolarHBondContact O-CD2 3.47Å; M1-F5 PolarHBondContact O-N 3.49Å; M1-C459 PolarHBondContact N-SG 3.46Å; M1-C459 VanDerWaalsContact N-SG 3.42Å; M1-K514 HydrophobicContact SD-CB 4.35Å; M1-L517 HydrophobicContact CE-CD1 3.68Å
2	D	34.2	Very low	32.8	Very low	120 Å²	120	117.2 Å²	117.2	64%	0.642	58%	0.575	S	S	*	*	H	α-helix	trans	-57.7	-36.9	177.1	-48.3	-32.9	0	0	0	114.1	F4 F5 N6	D2-F4 PolarHBondContact O-N 2.76Å; D2-F5 PolarHBondContact O-N 2.65Å; D2-F5 VanDerWaalsContact O-N 3.17Å; D2-N6 PolarHBondContact O-N 2.75Å
3	R	34.8	Very low	32.3	Very low	205 Å²	205	125.3 Å²	125.3	77%	0.774	60%	0.598	S	S	*	*	H	α-helix	trans	-61.1	-24.3	172.9	-77.7	-170.6	-177.8	-173.2	0.2	114.7	M1	M1-R3 VanDerWaalsContact C-N 3.3Å; M1-R3 PolarHBondContact O-N 2.96Å
4	F	37.1	Very low	31.6	Very low	33 Å²	33	125.6 Å²	125.6	15%	0.145	61%	0.612	C	S	.	*	H	α-helix	trans	-79.7	-39.1	175.8	178.8	-92.8	0	0	0	111.1	M1 D2 M49 L51 A461	M1-F4 VanDerWaalsContact O-CB 3.29Å; M1-F4 WeakPolarHBondContact O-CB 3.42Å; M1-F4 PolarHBondContact O-N 3.27Å; D2-F4 PolarHBondContact O-N 2.76Å; F4-M49 HydrophobicContact CE2-CE 3.66Å; F4-M49 HydrophobicContact CE2-SD 4.32Å; F4-M49 HydrophobicContact CZ-CE 3.4Å; F4-M49 HydrophobicContact CZ-SD 3.93Å; F4-L51 HydrophobicContact CE1-CD1 3.86Å; F4-L51 HydrophobicContact CZ-CD1 3.98Å; F4-A461 HydrophobicContact CB-CB 3.78Å; F4-A461 HydrophobicContact CD1-CB 4.21Å; F4-A461 HydrophobicContact CD2-CB 3.52Å; F4-A461 HydrophobicContact CE2-CB 4.06Å; F4-A461 HydrophobicContact CG-CB 3.59Å
5	F	42.6	Very low	31	Very low	33 Å²	33	126.7 Å²	126.7	15%	0.145	63%	0.629	C	S	.	*	H	α-helix	trans	-78.8	-38.9	-176.3	-69.3	-72.6	0	0	0	112.8	M1 D2 N7 L9 F55 K514	M1-F5 VanDerWaalsContact O-CD2 3.22Å; M1-F5 WeakPolarHBondContact O-CD2 3.47Å; M1-F5 PolarHBondContact O-N 3.49Å; D2-F5 PolarHBondContact O-N 2.65Å; D2-F5 VanDerWaalsContact O-N 3.17Å; F5-N7 VanDerWaalsContact C-N 3.26Å; F5-N7 PolarHBondContact O-N 3.17Å; F5-L9 HydrophobicContact CB-CD1 4.16Å; F5-L9 HydrophobicContact CD1-CD1 3.96Å; F5-L9 WeakPolarHBondContact O-CB 3.33Å; F5-L9 PolarHBondContact O-N 3.39Å; F5-F55 HydrophobicContact CZ-CD1 4.44Å; F5-F55 HydrophobicContact CZ-CE1 4.43Å; F5-K514 VanDerWaalsContact CD2-NZ 3.32Å; F5-K514 HydrophobicContact CE1-CD 4.42Å; F5-K514 HydrophobicContact CE2-CD 3.59Å; F5-K514 VanDerWaalsContact CE2-CE 3.43Å; F5-K514 HydrophobicContact CZ-CD 3.47Å; F5-K514 VanDerWaalsContact CZ-CD 3.47Å
6	N	38.6	Very low	30.6	Very low	119 Å²	119	125.4 Å²	125.4	64%	0.636	64%	0.636	S	S	*	*	H	α-helix	trans	-66.9	-24.1	-179.7	-77.6	-9	0	0	0	113.9	D2	D2-N6 PolarHBondContact O-N 2.75Å
7	N	33.4	Very low	30.4	Very low	145 Å²	145	123.8 Å²	123.8	78%	0.775	65%	0.646	S	S	*	*	H	α-helix	trans	-96	-14.2	-176.6	-81	-1.5	0	0	0	115.1	F5	F5-N7 VanDerWaalsContact C-N 3.26Å; F5-N7 PolarHBondContact O-N 3.17Å
8	R	32.5	Very low	30	Very low	148 Å²	148	121.9 Å²	121.9	56%	0.558	65%	0.651	S	S	*	*	H	α-helix	trans	-114.1	-23.6	176.6	-83.3	-167.1	-179.3	-168.7	3.3	115.1	R10 C11	R8-R10 PolarHBondContact O-N 3.13Å; R8-C11 PolarHBondContact O-N 3.4Å
9	L	28.7	Very low	29.7	Very low	129 Å²	129	120.3 Å²	120.3	68%	0.675	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	-3.3	176.6	-74.6	166.6	0	0	0	114	F5 C11	F5-L9 HydrophobicContact CB-CD1 4.16Å; F5-L9 HydrophobicContact CD1-CD1 3.96Å; F5-L9 WeakPolarHBondContact O-CB 3.33Å; F5-L9 PolarHBondContact O-N 3.39Å; L9-C11 VanDerWaalsContact C-N 3.27Å; L9-C11 PolarHBondContact O-N 3.21Å
10	R	28	Very low	29.4	Very low	232 Å²	232	123.5 Å²	123.5	88%	0.875	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	-9.1	170.5	-89.8	-172.3	175.6	-172	-0.9	114.4	R8 G12	R8-R10 PolarHBondContact O-N 3.13Å; R10-G12 PolarHBondContact O-N 3.42Å; R10-G12 VanDerWaalsContact O-N 3.13Å
11	C	26.1	Very low	29.4	Very low	114 Å²	114	126.5 Å²	126.5	77%	0.77	68%	0.677	S	S	*	*			trans	-85.5	58.5	160.7	-80.7	0	0	0	0	109.5	R8 L9 Y13	R8-C11 PolarHBondContact O-N 3.4Å; L9-C11 VanDerWaalsContact C-N 3.27Å; L9-C11 PolarHBondContact O-N 3.21Å; C11-Y13 PolarHBondContact O-N 2.87Å
12	G	25.8	Very low	29	Very low	51 Å²	51	133 Å²	133	53%	0.526	70%	0.698	S	S	.	*			trans	-75.1	113.2	169.1	0	0	0	0	0	108.5	R10 T14	R10-G12 PolarHBondContact O-N 3.42Å; R10-G12 VanDerWaalsContact O-N 3.13Å; G12-T14 VanDerWaalsContact C-N 3.26Å; G12-T14 PolarHBondContact O-N 3.35Å
13	Y	25.6	Very low	28.9	Very low	223 Å²	223	136.3 Å²	136.3	88%	0.875	71%	0.707	S	S	*	*			trans	-63.5	93.9	160	-73	-89.7	0	0	0	107.2	C11 V15	C11-Y13 PolarHBondContact O-N 2.87Å; Y13-V15 PolarHBondContact O-N 2.75Å; Y13-V15 VanDerWaalsContact O-N 3.08Å
14	T	23.3	Very low	28.6	Very low	129 Å²	129	131.5 Å²	131.5	79%	0.791	70%	0.703	S	S	*	*			trans	-67.8	103.9	166.6	45.4	0	0	0	0	107.2	G12 S16	G12-T14 VanDerWaalsContact C-N 3.26Å; G12-T14 PolarHBondContact O-N 3.35Å; T14-S16 PolarHBondContact O-N 2.99Å
15	V	22.9	Very low	28.1	Very low	142 Å²	142	138.2 Å²	138.2	86%	0.861	73%	0.734	S	S	*	*			trans	-65.2	89.3	165.8	-178.8	0	0	0	0	106.5	Y13 A17	Y13-V15 PolarHBondContact O-N 2.75Å; Y13-V15 VanDerWaalsContact O-N 3.08Å; V15-A17 PolarHBondContact O-N 3.17Å
16	S	24.7	Very low	27.4	Very low	106 Å²	106	145.5 Å²	145.5	74%	0.741	77%	0.766	S	S	*	*			trans	-80.5	114.7	172.3	72.4	0	0	0	0	108.8	T14	T14-S16 PolarHBondContact O-N 2.99Å
17	A	25.6	Very low	26.9	Very low	99 Å²	99	148 Å²	148	82%	0.818	77%	0.773	S	S	*	*			trans	-69.7	126.1	164.9	0	0	0	0	0	110.1	V15	V15-A17 PolarHBondContact O-N 3.17Å
18	A	24.2	Very low	26.8	Very low	89 Å²	89	147 Å²	147	74%	0.736	78%	0.777	S	S	*	*			trans	163	100.1	155.2	0	0	0	0	0	105.9
19	A	24.3	Very low	26.7	Very low	92 Å²	92	144.8 Å²	144.8	76%	0.76	79%	0.785	S	S	*	*				72.7	120.7	84.1	0	0	0	0	0	113.3
20	E	23.7	Very low	26.9	Very low	183 Å²	183	145.9 Å²	145.9	86%	0.855	79%	0.791	S	S	*	*			trans	89	112.6	150.9	-67.4	175	176.2	0	0	121.5
21	E	28.8	Very low	27.2	Very low	187 Å²	187	144.2 Å²	144.2	87%	0.874	79%	0.79	S	S	*	*			trans	42.6	103.6	143	-64.4	-169.3	150.6	0	0	120.7
22	Y	25	Very low	27.6	Very low	213 Å²	213	147.2 Å²	147.2	84%	0.835	79%	0.793	S	S	*	*			trans	-158.1	120.8	135	-152.9	-108.8	0	0	0	112.6	P24	Y22-P24 HydrophobicContact CD1-CG 3.93Å; Y22-P24 HydrophobicContact CE1-CB 4.25Å; Y22-P24 HydrophobicContact CE1-CG 4.05Å
23	K	32.1	Very low	28.3	Very low	191 Å²	191	150.1 Å²	150.1	83%	0.83	81%	0.805	S	S	*	*			trans	-87.6	128.6	162.7	-79.3	-179.6	176.3	175.1	0	109
24	P	28.1	Very low	29.3	Very low	104 Å²	104	144.6 Å²	144.6	68%	0.675	79%	0.79	S	S	*	*			trans	-134.8	139.3	140.4	32.2	-16.6	0	0	0	112.6	Y22	Y22-P24 HydrophobicContact CD1-CG 3.93Å; Y22-P24 HydrophobicContact CE1-CB 4.25Å; Y22-P24 HydrophobicContact CE1-CG 4.05Å
25	H	26.8	Very low	30.8	Very low	173 Å²	173	144.1 Å²	144.1	80%	0.801	79%	0.789	S	S	*	*			trans	-72.9	155.3	176.5	-76.7	-85.4	0	0	0	113
26	K	27.1	Very low	33.1	Very low	187 Å²	187	141.9 Å²	141.9	81%	0.813	78%	0.776	S	S	*	*			trans	80.9	98.1	161.1	-63.6	177.1	177.7	178.7	0	117.5
27	H	28.8	Very low	36	Very low	172 Å²	172	137.3 Å²	137.3	80%	0.796	74%	0.744	S	S	*	*				-174.2	118.7	92.2	-99.5	-75.2	0	0	0	108.5	S29	H27-S29 PolarHBondContact O-N 3.21Å
28	S	30.8	Very low	39	Very low	122 Å²	122	141.2 Å²	141.2	85%	0.853	74%	0.737	S	S	*	*			trans	-68.4	87.8	-178.2	55.5	0	0	0	0	111.2
29	S	30.5	Very low	42.2	Very low	103 Å²	103	137 Å²	137	72%	0.72	70%	0.702	S	S	*	*			trans	-134.4	43.1	154.9	71.4	0	0	0	0	109.7	H27 K31	H27-S29 PolarHBondContact O-N 3.21Å; S29-K31 PolarHBondContact O-N 3.24Å
30	D	32.9	Very low	45.5	Very low	151 Å²	151	132.6 Å²	132.6	81%	0.807	67%	0.666	S	S	*	*			trans	-71.2	82.9	163.4	-68.9	-32.1	0	0	0	106.7	E32	D30-E32 PolarHBondContact O-N 3.42Å
31	K	35.2	Very low	48.9	Very low	198 Å²	198	123.9 Å²	123.9	86%	0.861	63%	0.625	S	S	*	*			trans	-59.9	91.7	151.4	-76.3	-178	178.4	176.7	0	104.3	S29 S33	S29-K31 PolarHBondContact O-N 3.24Å; K31-S33 PolarHBondContact O-N 3.41Å
32	E	34.2	Very low	52	Low	177 Å²	177	115.8 Å²	115.8	83%	0.827	59%	0.587	S	S	*	*			trans	-42.5	110.1	169.1	-78.2	-178.6	154.2	0	0	106.5	D30 I34	D30-E32 PolarHBondContact O-N 3.42Å; E32-I34 PolarHBondContact O-N 2.92Å
33	S	40.8	Very low	55.2	Low	112 Å²	112	105.6 Å²	105.6	78%	0.783	55%	0.548	S	S	*	.			trans	-62.7	104.9	178.9	55.3	0	0	0	0	105.8	K31 P35	K31-S33 PolarHBondContact O-N 3.41Å; S33-P35 VanDerWaalsContact O-N 3.16Å
34	I	46.2	Very low	58.2	Low	106 Å²	106	96.5 Å²	96.5	54%	0.544	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-51.9	124.9	179.5	-60.8	172.7	0	0	0	106.8	E32 V36 S431 P432	E32-I34 PolarHBondContact O-N 2.92Å; I34-V36 PolarHBondContact O-N 2.93Å; I34-S431 WeakPolarHBondContact CD1-O 3.46Å; I34-P432 HydrophobicContact CD1-CB 4.4Å
35	P	55.1	Low	61.3	Low	119 Å²	119	91.6 Å²	91.6	77%	0.773	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-53.4	120.6	-177.4	-24.8	31.8	0	0	0	109.7	S33 S37	S33-P35 VanDerWaalsContact O-N 3.16Å; P35-S37 PolarHBondContact O-N 3.41Å
36	V	71.2	Confident	64.4	Low	96 Å²	96	86.3 Å²	86.3	58%	0.582	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-66.1	120.7	173.3	-179.1	0	0	0	0	106.6	I34	I34-V36 PolarHBondContact O-N 2.93Å
37	S	84.9	Confident	67.4	Low	10 Å²	10	77.7 Å²	77.7	7%	0.07	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-48.4	142.3	174.8	168.3	0	0	0	0	110.1	P35 S39 M42 N43 E359	P35-S37 PolarHBondContact O-N 3.41Å; S37-S39 WeakPolarHBondContact OG-CB 3.22Å; S37-S39 PolarHBondContact OG-N 3.13Å; S37-S39 VanDerWaalsContact OG-N 3.09Å; S37-M42 PolarHBondContact OG-SD 2.81Å; S37-M42 VanDerWaalsContact OG-SD 3.33Å; S37-N43 PolarHBondContact O-ND2 2.84Å; S37-E359 WeakPolarHBondContact CA-OE2 3.49Å; S37-E359 WeakPolarHBondContact CB-OE2 3.46Å; S37-E359 PolarHBondContact OG-OE1 2.88Å; S37-E359 PolarHBondContact OG-OE2 3.45Å
38	R	88.1	Confident	70.4	Confident	180 Å²	180	72.8 Å²	72.8	68%	0.679	39%	0.39	S	S	*	.			trans	-92.6	-5.9	175	-63.2	-179.2	-175.5	170.5	0.9	112	F40 Q53 E359	R38-F40 PolarHBondContact O-N 3.09Å; R38-Q53 HydrophobicContact CB-CG 4.34Å; R38-Q53 VanDerWaalsContact O-CD 3.28Å; R38-Q53 WeakPolarHBondContact O-CG 3.2Å; R38-E359 PolarHBondContact N-OE2 3.04Å
39	S	91.4	Very high	73.1	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	36%	0.355	C	S	.	.			trans	-67.2	124.6	178.7	163.5	0	0	0	0	111.2	S37 A41 M42 N43 Q53 E363	S37-S39 WeakPolarHBondContact OG-CB 3.22Å; S37-S39 PolarHBondContact OG-N 3.13Å; S37-S39 VanDerWaalsContact OG-N 3.09Å; S39-A41 VanDerWaalsContact C-N 3.3Å; S39-A41 PolarHBondContact OG-N 3.49Å; S39-M42 PolarHBondContact O-N 3.44Å; S39-M42 PolarHBondContact OG-N 2.92Å; S39-N43 WeakPolarHBondContact O-CB 3.29Å; S39-N43 PolarHBondContact O-N 3.18Å; S39-N43 VanDerWaalsContact O-N 3.09Å; S39-N43 PolarHBondContact O-ND2 3.43Å; S39-Q53 VanDerWaalsContact CA-OE1 3.31Å; S39-E363 PolarHBondContact OG-OE1 3.4Å
40	F	93.6	Very high	76	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-60.6	-44.4	171.4	173	-90.4	0	0	0	110.2	R38 M42 N43 M44 M49 V50 L51 I54 V468 I503 F504 A507	R38-F40 PolarHBondContact O-N 3.09Å; F40-M42 PolarHBondContact O-N 3.38Å; F40-N43 PolarHBondContact O-N 2.94Å; F40-M44 HydrophobicContact CE1-SD 3.99Å; F40-M44 PolarHBondContact O-N 3.38Å; F40-M49 HydrophobicContact CE2-CG 4.37Å; F40-V50 WeakPolarHBondContact CD2-O 3.36Å; F40-L51 HydrophobicContact CD2-CD2 4.24Å; F40-L51 HydrophobicContact CE2-CD2 4.25Å; F40-I54 HydrophobicContact CB-CD1 4.24Å; F40-I54 HydrophobicContact CB-CG1 4.26Å; F40-I54 HydrophobicContact CB-CG2 4.02Å; F40-I54 HydrophobicContact CD1-CD1 4.39Å; F40-I54 HydrophobicContact CD2-CD1 3.35Å; F40-I54 HydrophobicContact CD2-CG1 4.12Å; F40-I54 HydrophobicContact CE2-CD1 3.73Å; F40-I54 HydrophobicContact CG-CD1 3.73Å; F40-I54 HydrophobicContact CG-CG1 4.29Å; F40-I54 HydrophobicContact CG-CG2 4.42Å; F40-I54 HydrophobicContact CZ-CD1 4.39Å; F40-V468 HydrophobicContact CZ-CG2 4.23Å; F40-I503 HydrophobicContact CE1-CG2 4.07Å; F40-I503 HydrophobicContact CZ-CG2 3.91Å; F40-F504 AromaticContact CD1-CD2 3.77Å; F40-F504 HydrophobicContact CD1-CD2 3.77Å; F40-F504 HydrophobicContact CD1-CE2 4.48Å; F40-F504 HydrophobicContact CE1-CB 4.45Å; F40-F504 HydrophobicContact CE1-CD2 4.14Å; F40-A507 HydrophobicContact CE1-CB 3.9Å; F40-A507 HydrophobicContact CE2-CB 4.12Å; F40-A507 HydrophobicContact CZ-CB 3.6Å
41	A	94.6	Very high	78.7	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-65.8	-37.6	-177.8	0	0	0	0	0	112.3	S39 M44 F45 L362 E363 M366	S39-A41 VanDerWaalsContact C-N 3.3Å; S39-A41 PolarHBondContact OG-N 3.49Å; A41-M44 WeakPolarHBondContact O-CG 3.4Å; A41-F45 VanDerWaalsContact O-CD2 3.24Å; A41-F45 WeakPolarHBondContact O-CD2 3.28Å; A41-L362 HydrophobicContact CB-CB 3.64Å; A41-L362 HydrophobicContact CB-CD1 4.04Å; A41-E363 VanDerWaalsContact CB-CD 3.41Å; A41-E363 HydrophobicContact CB-CG 3.93Å; A41-E363 WeakPolarHBondContact CB-OE1 3.38Å; A41-E363 PolarHBondContact N-OE1 3.5Å; A41-M366 HydrophobicContact CB-CE 3.89Å; A41-M366 HydrophobicContact CB-SD 4.22Å
42	M	93.7	Very high	81.3	Confident	17 Å²	17	55.4 Å²	55.4	8%	0.084	29%	0.285	C	S	.	.	H	α-helix	trans	-68.1	-45.4	174.8	-70	-177.1	174.9	0	0	111.7	S37 S39 F40 M44 F45 E359 L362 F424 A428	S37-M42 PolarHBondContact OG-SD 2.81Å; S37-M42 VanDerWaalsContact OG-SD 3.33Å; S39-M42 PolarHBondContact O-N 3.44Å; S39-M42 PolarHBondContact OG-N 2.92Å; F40-M42 PolarHBondContact O-N 3.38Å; M42-M44 VanDerWaalsContact C-N 3.34Å; M42-M44 PolarHBondContact O-N 2.71Å; M42-F45 PolarHBondContact O-N 3.14Å; M42-E359 HydrophobicContact CE-CB 4.14Å; M42-E359 HydrophobicContact CE-CG 4.17Å; M42-E359 HydrophobicContact SD-CB 4.3Å; M42-E359 HydrophobicContact SD-CG 4.27Å; M42-L362 HydrophobicContact CG-CD1 3.79Å; M42-F424 HydrophobicContact CE-CE1 3.58Å; M42-F424 HydrophobicContact CE-CZ 4.12Å; M42-A428 HydrophobicContact CB-CB 4.22Å; M42-A428 HydrophobicContact CG-CB 4.24Å
43	N	93.6	Very high	83.9	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-72.6	-25.3	-176.2	-74.4	-71.5	0	0	0	113.6	S37 S39 F40 F45 R46 G47 Q48 V50	S37-N43 PolarHBondContact O-ND2 2.84Å; S39-N43 WeakPolarHBondContact O-CB 3.29Å; S39-N43 PolarHBondContact O-N 3.18Å; S39-N43 VanDerWaalsContact O-N 3.09Å; S39-N43 PolarHBondContact O-ND2 3.43Å; F40-N43 PolarHBondContact O-N 2.94Å; N43-F45 PolarHBondContact O-N 2.89Å; N43-R46 WeakPolarHBondContact O-CA 3.44Å; N43-R46 VanDerWaalsContact O-CB 3.29Å; N43-R46 WeakPolarHBondContact O-CB 3.46Å; N43-R46 PolarHBondContact O-N 3.3Å; N43-G47 PolarHBondContact O-N 3.25Å; N43-Q48 CarbonylContact C-O 3.54Å; N43-Q48 VanDerWaalsContact C-O 3.25Å; N43-Q48 HydrophobicContact CB-CB 4.24Å; N43-Q48 PolarHBondContact O-N 3.07Å; N43-Q48 VanDerWaalsContact O-O 3.13Å; N43-V50 HydrophobicContact CB-CB 3.93Å; N43-V50 HydrophobicContact CB-CG2 3.63Å; N43-V50 VanDerWaalsContact CG-CG2 3.46Å
44	M	94.2	Very high	86.4	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-65.3	-29	176.8	82.4	-177.5	-173.3	0	0	112.2	F40 A41 M42 R46 G47 Q48 M366 V468 F471 A500 I503	F40-M44 HydrophobicContact CE1-SD 3.99Å; F40-M44 PolarHBondContact O-N 3.38Å; A41-M44 WeakPolarHBondContact O-CG 3.4Å; M42-M44 VanDerWaalsContact C-N 3.34Å; M42-M44 PolarHBondContact O-N 2.71Å; M44-R46 PolarHBondContact O-N 2.94Å; M44-G47 WeakPolarHBondContact O-CA 2.82Å; M44-G47 PolarHBondContact O-N 3.18Å; M44-Q48 PolarHBondContact N-O 3.44Å; M44-M366 HydrophobicContact CE-CE 3.61Å; M44-M366 HydrophobicContact CE-SD 4.48Å; M44-V468 HydrophobicContact CB-CG1 4.12Å; M44-V468 HydrophobicContact CB-CG2 4.42Å; M44-F471 HydrophobicContact CE-CE1 4.11Å; M44-F471 HydrophobicContact CE-CZ 4.39Å; M44-F471 HydrophobicContact CG-CD1 4.24Å; M44-F471 HydrophobicContact CG-CE1 4.12Å; M44-F471 WeakPolarHBondContact O-CD1 3.03Å; M44-A500 HydrophobicContact CE-CB 3.18Å; M44-I503 HydrophobicContact SD-CB 4.18Å; M44-I503 HydrophobicContact SD-CG2 3.77Å
45	F	94	Very high	88.5	Confident	1 Å²	1	38.8 Å²	38.8	0%	0.004	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-24.1	171.9	-79.2	-100.4	0	0	0	112.3	A41 M42 N43 L362 M366 I421 G425 I426 L429 F471 V475 L496 A500	A41-F45 VanDerWaalsContact O-CD2 3.24Å; A41-F45 WeakPolarHBondContact O-CD2 3.28Å; M42-F45 PolarHBondContact O-N 3.14Å; N43-F45 PolarHBondContact O-N 2.89Å; F45-L362 HydrophobicContact CE2-CD1 4.5Å; F45-M366 HydrophobicContact CE2-CE 4.49Å; F45-I421 HydrophobicContact CZ-CG2 4.16Å; F45-I421 VanDerWaalsContact CZ-O 3.26Å; F45-I421 WeakPolarHBondContact CZ-O 3.38Å; F45-G425 WeakPolarHBondContact CB-O 3.42Å; F45-G425 VanDerWaalsContact CD1-C 3.42Å; F45-G425 WeakPolarHBondContact CG-O 3.12Å; F45-I426 HydrophobicContact CD1-CG1 4.37Å; F45-I426 HydrophobicContact CE1-CG1 4.49Å; F45-L429 HydrophobicContact CB-CD2 4.3Å; F45-F471 HydrophobicContact CB-CE1 4.43Å; F45-F471 AromaticContact CD1-CE1 3.88Å; F45-F471 HydrophobicContact CD1-CE1 3.88Å; F45-F471 HydrophobicContact CD1-CZ 4.05Å; F45-F471 AromaticContact CD2-CE1 3.99Å; F45-F471 HydrophobicContact CD2-CE1 3.99Å; F45-F471 HydrophobicContact CD2-CZ 4.5Å; F45-F471 HydrophobicContact CE1-CE1 4.08Å; F45-F471 AromaticContact CE1-CZ 3.8Å; F45-F471 HydrophobicContact CE1-CZ 3.8Å; F45-F471 HydrophobicContact CE2-CE1 4.18Å; F45-F471 HydrophobicContact CE2-CZ 4.28Å; F45-F471 AromaticContact CG-CE1 3.83Å; F45-F471 HydrophobicContact CG-CE1 3.83Å; F45-F471 HydrophobicContact CG-CZ 4.4Å; F45-F471 HydrophobicContact CZ-CE1 4.22Å; F45-F471 AromaticContact CZ-CZ 3.92Å; F45-F471 HydrophobicContact CZ-CZ 3.92Å; F45-V475 HydrophobicContact CD1-CG1 4.33Å; F45-V475 HydrophobicContact CD1-CG2 3.89Å; F45-L496 HydrophobicContact CE1-CD2 4.43Å; F45-A500 HydrophobicContact CE2-CB 4.36Å; F45-A500 HydrophobicContact CZ-CB 4.2Å
46	R	90.7	Very high	90.2	Very high	62 Å²	62	37.2 Å²	37.2	23%	0.234	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-0.5	171.4	-59.9	169.7	177.9	-177.4	-4	112.6	N43 M44 Q48 A428 L429	N43-R46 WeakPolarHBondContact O-CA 3.44Å; N43-R46 VanDerWaalsContact O-CB 3.29Å; N43-R46 WeakPolarHBondContact O-CB 3.46Å; N43-R46 PolarHBondContact O-N 3.3Å; M44-R46 PolarHBondContact O-N 2.94Å; R46-Q48 HydrophobicContact CB-CB 4.31Å; R46-Q48 HydrophobicContact CB-CG 4.02Å; R46-Q48 PolarHBondContact O-N 3.13Å; R46-A428 PolarHBondContact NE-O 3.29Å; R46-A428 PolarHBondContact NH2-O 3.48Å; R46-L429 HydrophobicContact CB-CD2 4.07Å; R46-L429 HydrophobicContact CG-CD2 3.2Å
47	G	91.7	Very high	91.2	Very high	5 Å²	5	32.9 Å²	32.9	5%	0.052	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	24.8	-169.1	0	0	0	0	0	113.3	N43 M44 V468	N43-G47 PolarHBondContact O-N 3.25Å; M44-G47 WeakPolarHBondContact O-CA 2.82Å; M44-G47 PolarHBondContact O-N 3.18Å; G47-V468 WeakPolarHBondContact CA-O 3.47Å
48	Q	91.2	Very high	91.5	Very high	69 Å²	69	33 Å²	33	32%	0.322	16%	0.157	S	C	.	.			trans	-110.2	139.3	-178.6	-67.1	-179.7	-11.8	0	0	110.7	N43 M44 R46	N43-Q48 CarbonylContact C-O 3.54Å; N43-Q48 VanDerWaalsContact C-O 3.25Å; N43-Q48 HydrophobicContact CB-CB 4.24Å; N43-Q48 PolarHBondContact O-N 3.07Å; N43-Q48 VanDerWaalsContact O-O 3.13Å; M44-Q48 PolarHBondContact N-O 3.44Å; R46-Q48 HydrophobicContact CB-CB 4.31Å; R46-Q48 HydrophobicContact CB-CG 4.02Å; R46-Q48 PolarHBondContact O-N 3.13Å
49	M	88.5	Confident	91.1	Very high	25 Å²	25	30.4 Å²	30.4	12%	0.123	15%	0.152	C	C	.	.			trans	-107.2	84.3	-177.7	-175.5	-179.6	57.8	0	0	109.3	F4 F40 L51 T465 V468	F4-M49 HydrophobicContact CE2-CE 3.66Å; F4-M49 HydrophobicContact CE2-SD 4.32Å; F4-M49 HydrophobicContact CZ-CE 3.4Å; F4-M49 HydrophobicContact CZ-SD 3.93Å; F40-M49 HydrophobicContact CE2-CG 4.37Å; M49-L51 HydrophobicContact CG-CD1 4.41Å; M49-L51 HydrophobicContact CG-CD2 3.48Å; M49-L51 VanDerWaalsContact CG-CD2 3.48Å; M49-L51 HydrophobicContact CG-CG 3.94Å; M49-L51 HydrophobicContact SD-CD2 4.22Å; M49-T465 HydrophobicContact CE-CG2 4.02Å; M49-T465 WeakPolarHBondContact CE-OG1 3.1Å; M49-T465 HydrophobicContact SD-CG2 4.5Å; M49-T465 PolarHBondContact SD-OG1 3.4Å; M49-V468 HydrophobicContact CB-CG1 4.46Å
50	V	90.4	Very high	89.9	Confident	25 Å²	25	33 Å²	33	15%	0.152	16%	0.164	C	C	.	.			trans	-91.4	114.8	175.6	175.8	0	0	0	0	107.6	F40 N43 E52	F40-V50 WeakPolarHBondContact CD2-O 3.36Å; N43-V50 HydrophobicContact CB-CB 3.93Å; N43-V50 HydrophobicContact CB-CG2 3.63Å; N43-V50 VanDerWaalsContact CG-CG2 3.46Å; V50-E52 WeakPolarHBondContact CG1-OE2 3.25Å
51	L	90	Very high	88.2	Confident	31 Å²	31	41.7 Å²	41.7	16%	0.162	20%	0.202	C	C	.	.			trans	-106.9	-7.6	-162.8	-67	-173.5	0	0	0	113.9	F4 F40 M49 Q53 I54 F55	F4-L51 HydrophobicContact CE1-CD1 3.86Å; F4-L51 HydrophobicContact CZ-CD1 3.98Å; F40-L51 HydrophobicContact CD2-CD2 4.24Å; F40-L51 HydrophobicContact CE2-CD2 4.25Å; M49-L51 HydrophobicContact CG-CD1 4.41Å; M49-L51 HydrophobicContact CG-CD2 3.48Å; M49-L51 VanDerWaalsContact CG-CD2 3.48Å; M49-L51 HydrophobicContact CG-CG 3.94Å; M49-L51 HydrophobicContact SD-CD2 4.22Å; L51-Q53 VanDerWaalsContact C-N 3.27Å; L51-Q53 PolarHBondContact O-N 3.42Å; L51-I54 HydrophobicContact CD2-CD1 3.65Å; L51-I54 HydrophobicContact CD2-CG1 4.1Å; L51-I54 CarbonylContact O-C 3.54Å; L51-I54 WeakPolarHBondContact O-CG1 3.3Å; L51-I54 PolarHBondContact O-N 3.32Å; L51-F55 HydrophobicContact CB-CD2 3.95Å; L51-F55 HydrophobicContact CD1-CD2 4.12Å; L51-F55 HydrophobicContact CD1-CE2 4.36Å; L51-F55 HydrophobicContact CD2-CD2 3.86Å; L51-F55 HydrophobicContact CD2-CE2 3.85Å; L51-F55 HydrophobicContact CG-CD2 4.2Å; L51-F55 PolarHBondContact O-N 3.02Å
52	E	89.3	Confident	86.2	Confident	129 Å²	129	52 Å²	52	60%	0.603	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-37.4	-168.1	-72.1	81.5	170	0	0	112.8	V50	V50-E52 WeakPolarHBondContact CG1-OE2 3.25Å
53	Q	89.9	Confident	84.6	Confident	13 Å²	13	53.6 Å²	53.6	6%	0.061	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-20	178.8	-75.8	-173.1	-2.7	0	0	113.9	R38 S39 L51 I352 S357	R38-Q53 HydrophobicContact CB-CG 4.34Å; R38-Q53 VanDerWaalsContact O-CD 3.28Å; R38-Q53 WeakPolarHBondContact O-CG 3.2Å; S39-Q53 VanDerWaalsContact CA-OE1 3.31Å; L51-Q53 VanDerWaalsContact C-N 3.27Å; L51-Q53 PolarHBondContact O-N 3.42Å; Q53-I352 HydrophobicContact CB-CD1 4.22Å; Q53-I352 HydrophobicContact CB-CG1 4.09Å; Q53-I352 WeakPolarHBondContact O-CG1 3.17Å; Q53-S357 PolarHBondContact NE2-OG 2.97Å
54	I	91.6	Very high	82.7	Confident	0 Å²	0	63 Å²	63	0%	0	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	-14.1	-173.5	56.6	157.1	0	0	0	113.8	F40 L51 M348 I352 F504 A507 S511	F40-I54 HydrophobicContact CB-CD1 4.24Å; F40-I54 HydrophobicContact CB-CG1 4.26Å; F40-I54 HydrophobicContact CB-CG2 4.02Å; F40-I54 HydrophobicContact CD1-CD1 4.39Å; F40-I54 HydrophobicContact CD2-CD1 3.35Å; F40-I54 HydrophobicContact CD2-CG1 4.12Å; F40-I54 HydrophobicContact CE2-CD1 3.73Å; F40-I54 HydrophobicContact CG-CD1 3.73Å; F40-I54 HydrophobicContact CG-CG1 4.29Å; F40-I54 HydrophobicContact CG-CG2 4.42Å; F40-I54 HydrophobicContact CZ-CD1 4.39Å; L51-I54 HydrophobicContact CD2-CD1 3.65Å; L51-I54 HydrophobicContact CD2-CG1 4.1Å; L51-I54 CarbonylContact O-C 3.54Å; L51-I54 WeakPolarHBondContact O-CG1 3.3Å; L51-I54 PolarHBondContact O-N 3.32Å; I54-M348 HydrophobicContact CB-CE 3.97Å; I54-M348 HydrophobicContact CB-SD 4.15Å; I54-M348 HydrophobicContact CG2-CE 4.25Å; I54-M348 HydrophobicContact CG2-CG 4.27Å; I54-M348 HydrophobicContact CG2-SD 3.98Å; I54-M348 VanDerWaalsContact O-CE 3.23Å; I54-M348 WeakPolarHBondContact O-CE 3.37Å; I54-I352 HydrophobicContact CG2-CD1 4.34Å; I54-F504 HydrophobicContact CG2-CE2 4.24Å; I54-A507 HydrophobicContact CD1-CB 3.77Å; I54-S511 WeakPolarHBondContact O-CB 3.03Å; I54-S511 PolarHBondContact O-OG 3.16Å
55	F	90.5	Very high	80.8	Confident	32 Å²	32	67.1 Å²	67.1	14%	0.14	31%	0.307	C	S	.	.	S	Bend	trans	-129.5	129	175.5	-72.6	-89.2	0	0	0	111.5	F5 L51 I510 K514	F5-F55 HydrophobicContact CZ-CD1 4.44Å; F5-F55 HydrophobicContact CZ-CE1 4.43Å; L51-F55 HydrophobicContact CB-CD2 3.95Å; L51-F55 HydrophobicContact CD1-CD2 4.12Å; L51-F55 HydrophobicContact CD1-CE2 4.36Å; L51-F55 HydrophobicContact CD2-CD2 3.86Å; L51-F55 HydrophobicContact CD2-CE2 3.85Å; L51-F55 HydrophobicContact CG-CD2 4.2Å; L51-F55 PolarHBondContact O-N 3.02Å; F55-I510 HydrophobicContact CE1-CG2 4.28Å; F55-I510 HydrophobicContact CZ-CB 4.46Å; F55-I510 HydrophobicContact CZ-CG2 3.94Å; F55-K514 HydrophobicContact CD1-CD 3.98Å; F55-K514 HydrophobicContact CE1-CD 3.93Å
56	P	90.6	Very high	79.2	Confident	86 Å²	86	70.8 Å²	70.8	56%	0.558	33%	0.327	S	S	*	.	S	Bend	cis	-70.6	162.2	-2.9	31.6	-35.9	0	0	0	112.3
57	F	93.7	Very high	78.1	Confident	5 Å²	5	69.8 Å²	69.8	2%	0.022	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-59.7	139.3	172.1	-170.2	-95.4	0	0	0	109.8	Q59 S344 M348 V508 S511 R512 L515	F57-Q59 PolarHBondContact O-N 3.26Å; F57-S344 WeakPolarHBondContact CE2-O 3.27Å; F57-M348 HydrophobicContact CD2-CE 3.44Å; F57-M348 VanDerWaalsContact CD2-CE 3.44Å; F57-M348 HydrophobicContact CE2-CB 4.32Å; F57-M348 HydrophobicContact CE2-CE 3.89Å; F57-M348 HydrophobicContact CG-CE 4.39Å; F57-V508 HydrophobicContact CE2-CG1 3.97Å; F57-S511 WeakPolarHBondContact CA-OG 3.19Å; F57-S511 WeakPolarHBondContact CB-OG 3.49Å; F57-S511 PolarHBondContact N-OG 2.89Å; F57-R512 HydrophobicContact CD1-CB 4.26Å; F57-R512 HydrophobicContact CD1-CG 4.21Å; F57-R512 HydrophobicContact CD2-CB 3.64Å; F57-R512 HydrophobicContact CD2-CG 4.4Å; F57-R512 HydrophobicContact CE1-CB 4.35Å; F57-R512 HydrophobicContact CE1-CG 4.09Å; F57-R512 HydrophobicContact CE2-CB 3.76Å; F57-R512 HydrophobicContact CE2-CG 4.31Å; F57-R512 HydrophobicContact CG-CB 3.92Å; F57-R512 HydrophobicContact CG-CG 4.37Å; F57-R512 HydrophobicContact CZ-CB 4.11Å; F57-R512 HydrophobicContact CZ-CG 4.15Å; F57-L515 HydrophobicContact CB-CB 4Å; F57-L515 HydrophobicContact CB-CD2 3.91Å; F57-L515 HydrophobicContact CD1-CD2 4.01Å; F57-L515 HydrophobicContact CG-CD2 4.45Å
58	P	90	Very high	77.5	Confident	14 Å²	14	69.9 Å²	69.9	9%	0.091	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-61	130.7	-179.2	19.8	-29.8	0	0	0	111.6	Y347 M348	P58-Y347 WeakPolarHBondContact CG-O 3.02Å; P58-M348 HydrophobicContact CG-SD 4.28Å
59	Q	80.7	Confident	76.7	Confident	124 Å²	124	70.5 Å²	70.5	58%	0.579	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-85.8	120.6	173.1	-62.7	-166.3	61	0	0	108.6	F57 L515	F57-Q59 PolarHBondContact O-N 3.26Å; Q59-L515 HydrophobicContact CG-CD1 4.28Å; Q59-L515 HydrophobicContact CG-CD2 3.95Å
60	H	65.7	Low	76.4	Confident	55 Å²	55	72 Å²	72	26%	0.255	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-86.4	124.8	174.8	40.8	-84.3	0	0	0	109.1	R62 T116 Y347	H60-R62 PolarHBondContact O-N 3.07Å; H60-R62 VanDerWaalsContact O-N 3.13Å; H60-T116 HydrophobicContact CB-CG2 3.64Å; H60-Y347 HydrophobicContact CB-CD1 4.12Å; H60-Y347 HydrophobicContact CB-CE1 4.05Å; H60-Y347 AromaticContact ND1-CD1 3.97Å
61	F	57.5	Low	76.3	Confident	182 Å²	182	70.8 Å²	70.8	80%	0.798	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-60.3	117.4	159.7	-76.6	-83.4	0	0	0	107.1	L63	F61-L63 VanDerWaalsContact C-N 3.3Å; F61-L63 PolarHBondContact O-N 3.49Å
62	R	53.7	Low	76.1	Confident	216 Å²	216	73.2 Å²	73.2	82%	0.815	35%	0.353	S	S	*	.			trans	-64.8	95.2	174.1	-72.4	-177.2	-179.2	179.8	1	107.6	H60 R64	H60-R62 PolarHBondContact O-N 3.07Å; H60-R62 VanDerWaalsContact O-N 3.13Å; R62-R64 PolarHBondContact O-N 2.79Å
63	L	58.8	Low	76.1	Confident	51 Å²	51	74.6 Å²	74.6	27%	0.267	36%	0.36	S	S	.	.			trans	-52.7	129.9	153.6	-75.6	171.5	0	0	0	106.4	F61 N65 L113 Q117 L121	F61-L63 VanDerWaalsContact C-N 3.3Å; F61-L63 PolarHBondContact O-N 3.49Å; L63-N65 PolarHBondContact O-N 2.7Å; L63-L113 HydrophobicContact CD1-CD1 4.47Å; L63-Q117 HydrophobicContact CD1-CB 3.65Å; L63-Q117 HydrophobicContact CD1-CG 3.82Å; L63-Q117 HydrophobicContact CG-CB 4.49Å; L63-Q117 HydrophobicContact CG-CG 4.13Å; L63-L121 HydrophobicContact CD1-CG 4.36Å
64	R	54.2	Low	76.2	Confident	198 Å²	198	76.7 Å²	76.7	75%	0.747	37%	0.373	S	S	*	.			trans	-58.7	138.5	174.6	-73.4	-174	178.1	-165.5	0.4	107.6	R62 D66	R62-R64 PolarHBondContact O-N 2.79Å; R64-D66 WeakPolarHBondContact CB-OD1 3.2Å; R64-D66 VanDerWaalsContact CB-OD2 3.32Å; R64-D66 WeakPolarHBondContact CB-OD2 3.46Å; R64-D66 VanDerWaalsContact CD-OD2 3.23Å; R64-D66 WeakPolarHBondContact CD-OD2 3.3Å; R64-D66 PolarHBondContact O-N 3.29Å; R64-D66 VanDerWaalsContact O-N 3.08Å
65	N	54.9	Low	76.4	Confident	87 Å²	87	77.5 Å²	77.5	47%	0.465	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-66.9	-6.4	-179.9	-70.1	-33.5	0	0	0	112.6	L63 G67 R120	L63-N65 PolarHBondContact O-N 2.7Å; N65-G67 VanDerWaalsContact C-N 3.31Å; N65-G67 PolarHBondContact O-N 3.43Å; N65-R120 PolarHBondContact OD1-NE 3.2Å; N65-R120 PolarHBondContact OD1-NH2 3.22Å
66	D	59.1	Low	76.7	Confident	78 Å²	78	80.1 Å²	80.1	42%	0.417	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-66.2	-31.2	-177.3	52.2	9.1	0	0	0	112.7	R64 M68 L69	R64-D66 WeakPolarHBondContact CB-OD1 3.2Å; R64-D66 VanDerWaalsContact CB-OD2 3.32Å; R64-D66 WeakPolarHBondContact CB-OD2 3.46Å; R64-D66 VanDerWaalsContact CD-OD2 3.23Å; R64-D66 WeakPolarHBondContact CD-OD2 3.3Å; R64-D66 PolarHBondContact O-N 3.29Å; R64-D66 VanDerWaalsContact O-N 3.08Å; D66-M68 PolarHBondContact O-N 3.24Å; D66-L69 HydrophobicContact CB-CD1 3.89Å; D66-L69 WeakPolarHBondContact O-CB 3.27Å; D66-L69 PolarHBondContact O-N 3.37Å
67	G	69.1	Low	76.9	Confident	41 Å²	41	77.9 Å²	77.9	42%	0.423	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-56.5	-27.4	-178.2	0	0	0	0	0	114.6	N65 M97	N65-G67 VanDerWaalsContact C-N 3.31Å; N65-G67 PolarHBondContact O-N 3.43Å; G67-M97 WeakPolarHBondContact O-CE 3.22Å
68	M	78.3	Confident	77	Confident	6 Å²	6	79.2 Å²	79.2	3%	0.03	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-106.2	8.6	178.2	-62.2	-66.7	-55.4	0	0	113.9	D66 F71 K72 L94 M97 L121 V124 V125	D66-M68 PolarHBondContact O-N 3.24Å; M68-F71 HydrophobicContact CE-CB 3.94Å; M68-F71 HydrophobicContact CE-CD1 3.6Å; M68-F71 HydrophobicContact CE-CE1 4.34Å; M68-F71 HydrophobicContact CE-CG 3.85Å; M68-K72 WeakPolarHBondContact O-CG 3.22Å; M68-K72 PolarHBondContact O-N 3.34Å; M68-L94 HydrophobicContact CE-CD2 4.36Å; M68-M97 HydrophobicContact CB-CE 4.37Å; M68-M97 HydrophobicContact CE-CE 3.63Å; M68-M97 HydrophobicContact CG-CE 4.28Å; M68-M97 HydrophobicContact SD-CE 3.2Å; M68-M97 WeakPolarHBondContact SD-CE 3.3Å; M68-L121 HydrophobicContact CG-CD2 3.79Å; M68-L121 HydrophobicContact SD-CD2 4.32Å; M68-V124 HydrophobicContact CB-CG1 3.78Å; M68-V124 HydrophobicContact CG-CB 4.43Å; M68-V124 HydrophobicContact CG-CG1 4.14Å; M68-V125 HydrophobicContact CE-CG2 3.55Å
69	L	75.3	Confident	77.2	Confident	82 Å²	82	82.6 Å²	82.6	43%	0.429	41%	0.407	S	S	.	.	H	α-helix	trans	-60	-46.9	177.5	-76.1	168.4	0	0	0	112.9	D66 F71 K72 E73	D66-L69 HydrophobicContact CB-CD1 3.89Å; D66-L69 WeakPolarHBondContact O-CB 3.27Å; D66-L69 PolarHBondContact O-N 3.37Å; L69-F71 VanDerWaalsContact C-N 3.27Å; L69-F71 PolarHBondContact O-N 3.34Å; L69-K72 WeakPolarHBondContact O-CB 3.5Å; L69-K72 PolarHBondContact O-N 3.36Å; L69-E73 PolarHBondContact O-N 2.99Å
70	P	81.7	Confident	77.9	Confident	56 Å²	56	76.7 Å²	76.7	36%	0.364	38%	0.379	S	S	.	.	H	α-helix	trans	-58	-41.5	-178.6	-24.9	35.1	0	0	0	112.2	K72 E73 V74 M97	P70-K72 VanDerWaalsContact C-N 3.34Å; P70-K72 PolarHBondContact O-N 3.09Å; P70-E73 PolarHBondContact O-N 2.88Å; P70-V74 WeakPolarHBondContact O-CG2 3.24Å; P70-V74 PolarHBondContact O-N 3.47Å; P70-M97 HydrophobicContact CB-SD 3.95Å; P70-M97 HydrophobicContact CG-SD 4.21Å
71	F	87.3	Confident	79.3	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-56.9	-43.7	173.8	162.8	-108.6	0	0	0	112.7	M68 L69 E73 V74 N75 V90 L94 M97 V125 N128 V132	M68-F71 HydrophobicContact CE-CB 3.94Å; M68-F71 HydrophobicContact CE-CD1 3.6Å; M68-F71 HydrophobicContact CE-CE1 4.34Å; M68-F71 HydrophobicContact CE-CG 3.85Å; L69-F71 VanDerWaalsContact C-N 3.27Å; L69-F71 PolarHBondContact O-N 3.34Å; F71-E73 VanDerWaalsContact C-N 3.28Å; F71-E73 PolarHBondContact O-N 3.26Å; F71-V74 PolarHBondContact O-N 3.44Å; F71-N75 HydrophobicContact CD2-CB 3.97Å; F71-N75 HydrophobicContact CE2-CB 3.59Å; F71-N75 HydrophobicContact CZ-CB 4.04Å; F71-N75 WeakPolarHBondContact O-CB 3.18Å; F71-N75 PolarHBondContact O-N 2.81Å; F71-V90 HydrophobicContact CD2-CG1 4.27Å; F71-V90 HydrophobicContact CE2-CG1 4.1Å; F71-L94 HydrophobicContact CB-CD2 4.34Å; F71-L94 HydrophobicContact CD2-CD2 3.73Å; F71-L94 HydrophobicContact CD2-CG 4.23Å; F71-L94 HydrophobicContact CE2-CD2 4.36Å; F71-L94 HydrophobicContact CG-CD2 4.14Å; F71-M97 HydrophobicContact CB-CE 3.98Å; F71-M97 HydrophobicContact CB-SD 3.98Å; F71-V125 HydrophobicContact CZ-CG1 4.47Å; F71-N128 HydrophobicContact CE1-CB 3.79Å; F71-N128 HydrophobicContact CZ-CB 4.2Å; F71-V132 HydrophobicContact CE2-CB 4.28Å; F71-V132 HydrophobicContact CE2-CG1 3.81Å; F71-V132 HydrophobicContact CE2-CG2 4.01Å; F71-V132 HydrophobicContact CZ-CB 4.26Å; F71-V132 HydrophobicContact CZ-CG1 4.03Å; F71-V132 HydrophobicContact CZ-CG2 4.28Å
72	K	86.5	Confident	81.1	Confident	82 Å²	82	73.5 Å²	73.5	36%	0.357	37%	0.368	S	S	.	.	H	α-helix	trans	-67	-30.1	-179.2	-68.8	179.9	-176.2	178.2	0	113	M68 L69 P70	M68-K72 WeakPolarHBondContact O-CG 3.22Å; M68-K72 PolarHBondContact O-N 3.34Å; L69-K72 WeakPolarHBondContact O-CB 3.5Å; L69-K72 PolarHBondContact O-N 3.36Å; P70-K72 VanDerWaalsContact C-N 3.34Å; P70-K72 PolarHBondContact O-N 3.09Å
73	E	89.2	Confident	83	Confident	159 Å²	159	67.2 Å²	67.2	74%	0.743	35%	0.348	S	S	*	.	H	α-helix	trans	-76.2	-36.2	-178.9	-68.9	175	-179.9	0	0	112.1	L69 P70 F71	L69-E73 PolarHBondContact O-N 2.99Å; P70-E73 PolarHBondContact O-N 2.88Å; F71-E73 VanDerWaalsContact C-N 3.28Å; F71-E73 PolarHBondContact O-N 3.26Å
74	V	93	Very high	84.7	Confident	56 Å²	56	67.4 Å²	67.4	34%	0.339	36%	0.357	S	S	.	.	H	α-helix	trans	-91.4	-22.7	-178.1	-57.5	0	0	0	0	113.8	P70 F71 V90	P70-V74 WeakPolarHBondContact O-CG2 3.24Å; P70-V74 PolarHBondContact O-N 3.47Å; F71-V74 PolarHBondContact O-N 3.44Å; V74-V90 HydrophobicContact CG2-CG2 4.25Å
75	N	95.1	Very high	86.5	Confident	17 Å²	17	62.4 Å²	62.4	9%	0.091	35%	0.346	C	S	.	.			trans	-82.3	124.3	-173.1	-174.3	60	0	0	0	112.9	F71 N80 V90 D129	F71-N75 HydrophobicContact CD2-CB 3.97Å; F71-N75 HydrophobicContact CE2-CB 3.59Å; F71-N75 HydrophobicContact CZ-CB 4.04Å; F71-N75 WeakPolarHBondContact O-CB 3.18Å; F71-N75 PolarHBondContact O-N 2.81Å; N75-N80 PolarHBondContact OD1-ND2 3.24Å; N75-V90 HydrophobicContact CB-CG1 4.49Å; N75-V90 HydrophobicContact CB-CG2 4.14Å; N75-D129 WeakPolarHBondContact ND2-CB 3.35Å
76	N	95.6	Very high	88.3	Confident	87 Å²	87	59 Å²	59	47%	0.465	33%	0.327	S	S	.	.			trans	-118.4	100.1	171.3	-175.4	-29.6	0	0	0	110	G78 K79 N80	N76-G78 VanDerWaalsContact C-N 3.3Å; N76-G78 PolarHBondContact O-N 3.33Å; N76-G78 PolarHBondContact OD1-N 3.41Å; N76-G78 VanDerWaalsContact OD1-N 3.09Å; N76-K79 HydrophobicContact CB-CB 3.93Å; N76-K79 PolarHBondContact O-N 3.27Å; N76-K79 PolarHBondContact OD1-N 2.99Å; N76-N80 PolarHBondContact O-N 3.43Å; N76-N80 PolarHBondContact O-ND2 3.13Å; N76-N80 PolarHBondContact O-OD1 2.92Å
77	P	95.6	Very high	89.8	Confident	39 Å²	39	56.7 Å²	56.7	25%	0.253	31%	0.314	S	S	.	.	H	α-helix	trans	-61.3	-35.6	-177.8	-21.5	31.1	0	0	0	113.5	N80 D81 N128 D129 K399	P77-N80 PolarHBondContact O-N 2.91Å; P77-D81 PolarHBondContact O-N 3.16Å; P77-N128 WeakPolarHBondContact CG-O 3.47Å; P77-D129 HydrophobicContact CB-CB 4.28Å; P77-D129 HydrophobicContact CG-CB 4.15Å; P77-K399 HydrophobicContact CB-CD 4.22Å; P77-K399 WeakPolarHBondContact O-CD 3.35Å; P77-K399 WeakPolarHBondContact O-CE 3.3Å
78	G	95.5	Very high	90.8	Very high	33 Å²	33	59.6 Å²	59.6	34%	0.34	33%	0.326	S	S	.	.	H	α-helix	trans	-64.6	-49.4	178.9	0	0	0	0	0	111.2	N76 N80 D81 E82	N76-G78 VanDerWaalsContact C-N 3.3Å; N76-G78 PolarHBondContact O-N 3.33Å; N76-G78 PolarHBondContact OD1-N 3.41Å; N76-G78 VanDerWaalsContact OD1-N 3.09Å; G78-N80 VanDerWaalsContact C-N 3.35Å; G78-N80 PolarHBondContact O-N 3.31Å; G78-D81 PolarHBondContact O-N 3.38Å; G78-D81 VanDerWaalsContact O-N 3.14Å; G78-E82 WeakPolarHBondContact O-CG 3.5Å; G78-E82 PolarHBondContact O-N 3.22Å
79	K	95.2	Very high	91.5	Very high	85 Å²	85	66.3 Å²	66.3	37%	0.37	36%	0.355	S	S	.	.	H	α-helix	trans	-60.6	-42.7	176.4	-168	-171.3	175.2	-170.4	0	111.9	N76 D81 E82 M83 D87	N76-K79 HydrophobicContact CB-CB 3.93Å; N76-K79 PolarHBondContact O-N 3.27Å; N76-K79 PolarHBondContact OD1-N 2.99Å; K79-D81 VanDerWaalsContact C-N 3.3Å; K79-D81 PolarHBondContact O-N 3.37Å; K79-E82 PolarHBondContact O-N 2.92Å; K79-M83 HydrophobicContact CD-CE 4.18Å; K79-M83 HydrophobicContact CD-SD 4.34Å; K79-M83 HydrophobicContact CG-CE 3.85Å; K79-M83 HydrophobicContact CG-CG 4.4Å; K79-M83 HydrophobicContact CG-SD 3.99Å; K79-M83 WeakPolarHBondContact O-CG 3.44Å; K79-M83 PolarHBondContact O-N 2.58Å; K79-D87 IonicContact NZ-OD2 2.71Å; K79-D87 PolarHBondContact NZ-OD2 3.48Å
80	N	94.9	Very high	92.3	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-60.3	-39.3	176.2	-66.3	-17.7	0	0	0	111.7	N75 N76 P77 G78 A84 D85 F86 D87 D129 A253	N75-N80 PolarHBondContact OD1-ND2 3.24Å; N76-N80 PolarHBondContact O-N 3.43Å; N76-N80 PolarHBondContact O-ND2 3.13Å; N76-N80 PolarHBondContact O-OD1 2.92Å; P77-N80 PolarHBondContact O-N 2.91Å; G78-N80 VanDerWaalsContact C-N 3.35Å; G78-N80 PolarHBondContact O-N 3.31Å; N80-A84 WeakPolarHBondContact O-CA 3.2Å; N80-A84 PolarHBondContact O-N 3.27Å; N80-A84 VanDerWaalsContact O-N 3.11Å; N80-D85 VanDerWaalsContact CA-O 3.3Å; N80-D85 WeakPolarHBondContact CA-O 3.16Å; N80-D85 PolarHBondContact O-N 2.93Å; N80-F86 HydrophobicContact CB-CD1 4.48Å; N80-D87 PolarHBondContact OD1-N 2.86Å; N80-D129 PolarHBondContact ND2-OD2 3.03Å; N80-A253 HydrophobicContact CB-CB 3.95Å
81	D	95.2	Very high	92.8	Very high	12 Å²	12	61.6 Å²	61.6	6%	0.064	33%	0.326	C	S	.	.	H	α-helix	trans	-68.5	-41.1	176.8	-168.9	84.6	0	0	0	112.6	P77 G78 K79 A84 K252 K399 R402	P77-D81 PolarHBondContact O-N 3.16Å; G78-D81 PolarHBondContact O-N 3.38Å; G78-D81 VanDerWaalsContact O-N 3.14Å; K79-D81 VanDerWaalsContact C-N 3.3Å; K79-D81 PolarHBondContact O-N 3.37Å; D81-A84 PolarHBondContact O-N 2.88Å; D81-K252 WeakPolarHBondContact O-CD 3.47Å; D81-K252 WeakPolarHBondContact OD1-CD 3.39Å; D81-K252 IonicContact OD1-NZ 2.76Å; D81-K252 IonicContact OD2-NZ 2.87Å; D81-K252 PolarHBondContact OD2-NZ 2.9Å; D81-K399 HydrophobicContact CB-CD 3.77Å; D81-K399 HydrophobicContact CB-CG 4.23Å; D81-R402 VanDerWaalsContact CG-NH2 3.29Å; D81-R402 IonicContact OD1-CZ 3.94Å; D81-R402 IonicContact OD1-NH1 2.86Å; D81-R402 PolarHBondContact OD1-NH1 3Å; D81-R402 IonicContact OD1-NH2 2.68Å; D81-R402 PolarHBondContact OD1-NH2 3.4Å; D81-R402 IonicContact OD2-CZ 3.29Å; D81-R402 IonicContact OD2-NH1 3.95Å; D81-R402 PolarHBondContact OD2-NH1 2.94Å; D81-R402 IonicContact OD2-NH2 3.14Å; D81-R402 PolarHBondContact OD2-NH2 3.46Å
82	E	94.5	Very high	93	Very high	159 Å²	159	64.1 Å²	64.1	74%	0.743	34%	0.344	S	S	*	.	H	α-helix	trans	-65	-43.8	178.8	-72.7	173	-177.9	0	0	112.3	G78 K79 A84	G78-E82 WeakPolarHBondContact O-CG 3.5Å; G78-E82 PolarHBondContact O-N 3.22Å; K79-E82 PolarHBondContact O-N 2.92Å; E82-A84 PolarHBondContact O-N 3.3Å
83	M	94	Very high	93.4	Very high	83 Å²	83	60.7 Å²	60.7	41%	0.409	33%	0.33	S	S	.	.	H	α-helix	trans	-74.4	-16.9	177.5	-63.5	-176.4	-50.7	0	0	112.8	K79 D85 D87	K79-M83 HydrophobicContact CD-CE 4.18Å; K79-M83 HydrophobicContact CD-SD 4.34Å; K79-M83 HydrophobicContact CG-CE 3.85Å; K79-M83 HydrophobicContact CG-CG 4.4Å; K79-M83 HydrophobicContact CG-SD 3.99Å; K79-M83 WeakPolarHBondContact O-CG 3.44Å; K79-M83 PolarHBondContact O-N 2.58Å; M83-D85 PolarHBondContact O-N 3.46Å; M83-D87 HydrophobicContact CE-CB 4.32Å
84	A	93.9	Very high	93.6	Very high	55 Å²	55	53.1 Å²	53.1	46%	0.455	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	30	-166.7	0	0	0	0	0	113.3	N80 D81 E82 K252	N80-A84 WeakPolarHBondContact O-CA 3.2Å; N80-A84 PolarHBondContact O-N 3.27Å; N80-A84 VanDerWaalsContact O-N 3.11Å; D81-A84 PolarHBondContact O-N 2.88Å; E82-A84 PolarHBondContact O-N 3.3Å; A84-K252 HydrophobicContact CB-CB 4.06Å
85	D	93.1	Very high	93.6	Very high	94 Å²	94	54.4 Å²	54.4	50%	0.503	30%	0.296	S	S	.	.	S	Bend	trans	-154.7	167.3	179.5	-160.3	0.9	0	0	0	109.5	N80 M83	N80-D85 VanDerWaalsContact CA-O 3.3Å; N80-D85 WeakPolarHBondContact CA-O 3.16Å; N80-D85 PolarHBondContact O-N 2.93Å; M83-D85 PolarHBondContact O-N 3.46Å
86	F	91.9	Very high	93.5	Very high	15 Å²	15	60.9 Å²	60.9	7%	0.066	33%	0.326	C	S	.	.			trans	-88.6	139.4	176.3	-62.8	-67.4	0	0	0	111.6	N80 I91 V132 M135 A253	N80-F86 HydrophobicContact CB-CD1 4.48Å; F86-I91 HydrophobicContact CB-CD1 3.87Å; F86-I91 HydrophobicContact CB-CG1 3.9Å; F86-I91 HydrophobicContact CD2-CD1 3.94Å; F86-I91 HydrophobicContact CG-CD1 4.01Å; F86-V132 HydrophobicContact CD1-CG2 3.95Å; F86-V132 HydrophobicContact CE1-CB 4.32Å; F86-V132 HydrophobicContact CE1-CG2 3.44Å; F86-V132 VanDerWaalsContact CE1-CG2 3.44Å; F86-V132 HydrophobicContact CZ-CG2 4.25Å; F86-M135 HydrophobicContact CD2-SD 3.89Å; F86-M135 HydrophobicContact CE2-CB 3.96Å; F86-M135 HydrophobicContact CE2-CE 4.44Å; F86-M135 HydrophobicContact CE2-CG 4.16Å; F86-M135 HydrophobicContact CE2-SD 3.53Å; F86-M135 VanDerWaalsContact CE2-SD 3.53Å; F86-M135 HydrophobicContact CZ-CB 4.09Å; F86-M135 HydrophobicContact CZ-SD 4.3Å; F86-A253 HydrophobicContact CD1-CB 3.74Å; F86-A253 HydrophobicContact CD2-CB 4.35Å; F86-A253 HydrophobicContact CE1-CB 3.52Å; F86-A253 HydrophobicContact CE2-CB 4.18Å; F86-A253 WeakPolarHBondContact CE2-O 3.33Å; F86-A253 HydrophobicContact CG-CB 4.15Å; F86-A253 HydrophobicContact CZ-CB 3.76Å
87	D	90.2	Very high	93.3	Very high	29 Å²	29	58.6 Å²	58.6	16%	0.155	31%	0.313	C	S	.	.			trans	-57.6	128	165.3	-169.2	-52.3	0	0	0	109.3	K79 N80 M83 K89 V90	K79-D87 IonicContact NZ-OD2 2.71Å; K79-D87 PolarHBondContact NZ-OD2 3.48Å; N80-D87 PolarHBondContact OD1-N 2.86Å; M83-D87 HydrophobicContact CE-CB 4.32Å; D87-K89 PolarHBondContact O-N 3.23Å; D87-K89 WeakPolarHBondContact OD1-CB 3.4Å; D87-K89 WeakPolarHBondContact OD1-CG 3.43Å; D87-K89 PolarHBondContact OD1-N 3.05Å; D87-V90 HydrophobicContact CB-CG2 4.12Å; D87-V90 VanDerWaalsContact O-CB 3.3Å; D87-V90 WeakPolarHBondContact O-CB 3.47Å; D87-V90 PolarHBondContact O-N 3.28Å
88	P	90	Very high	93.2	Very high	103 Å²	103	57.6 Å²	57.6	67%	0.669	31%	0.31	S	S	*	.	H	α-helix	trans	-53.1	-28.7	-178.4	-29.6	35.8	0	0	0	114.2	V90 I91 S92	P88-V90 VanDerWaalsContact C-N 3.31Å; P88-V90 PolarHBondContact O-N 3.13Å; P88-I91 PolarHBondContact O-N 3.45Å; P88-S92 PolarHBondContact O-N 3.44Å
89	K	93	Very high	93.1	Very high	146 Å²	146	56 Å²	56	64%	0.635	29%	0.294	S	S	*	.	H	α-helix	trans	-64.1	-35.3	175.7	-64.8	179.8	-178.5	-178.8	0	112.5	D87 S92 S93	D87-K89 PolarHBondContact O-N 3.23Å; D87-K89 WeakPolarHBondContact OD1-CB 3.4Å; D87-K89 WeakPolarHBondContact OD1-CG 3.43Å; D87-K89 PolarHBondContact OD1-N 3.05Å; K89-S92 PolarHBondContact O-N 3.35Å; K89-S93 WeakPolarHBondContact O-CB 3.41Å; K89-S93 PolarHBondContact O-N 2.81Å
90	V	93.2	Very high	93.1	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-63.4	-47.2	175.5	178	0	0	0	0	109.5	F71 V74 N75 D87 P88 S93 L94 V132	F71-V90 HydrophobicContact CD2-CG1 4.27Å; F71-V90 HydrophobicContact CE2-CG1 4.1Å; V74-V90 HydrophobicContact CG2-CG2 4.25Å; N75-V90 HydrophobicContact CB-CG1 4.49Å; N75-V90 HydrophobicContact CB-CG2 4.14Å; D87-V90 HydrophobicContact CB-CG2 4.12Å; D87-V90 VanDerWaalsContact O-CB 3.3Å; D87-V90 WeakPolarHBondContact O-CB 3.47Å; D87-V90 PolarHBondContact O-N 3.28Å; P88-V90 VanDerWaalsContact C-N 3.31Å; P88-V90 PolarHBondContact O-N 3.13Å; V90-S93 PolarHBondContact O-N 2.95Å; V90-L94 HydrophobicContact CG1-CD1 4.11Å; V90-L94 VanDerWaalsContact O-CG 3.27Å; V90-L94 WeakPolarHBondContact O-CG 3.4Å; V90-L94 PolarHBondContact O-N 3.35Å; V90-V132 HydrophobicContact CG1-CG2 4.33Å
91	I	91.8	Very high	93.1	Very high	39 Å²	39	52 Å²	52	20%	0.2	28%	0.276	C	S	.	.	H	α-helix	trans	-64.7	-43.1	179.2	-58.8	-57	0	0	0	111.4	F86 P88 L94 K95 M135	F86-I91 HydrophobicContact CB-CD1 3.87Å; F86-I91 HydrophobicContact CB-CG1 3.9Å; F86-I91 HydrophobicContact CD2-CD1 3.94Å; F86-I91 HydrophobicContact CG-CD1 4.01Å; P88-I91 PolarHBondContact O-N 3.45Å; I91-L94 PolarHBondContact O-N 3.32Å; I91-K95 HydrophobicContact CG2-CD 4.4Å; I91-K95 WeakPolarHBondContact O-CG 3.41Å; I91-K95 PolarHBondContact O-N 3.25Å; I91-M135 HydrophobicContact CD1-CE 3.84Å; I91-M135 HydrophobicContact CD1-SD 3.75Å
92	S	92.7	Very high	93.1	Very high	54 Å²	54	51.6 Å²	51.6	38%	0.378	27%	0.274	S	S	.	.	H	α-helix	trans	-59.7	-48.7	176	-160.9	0	0	0	0	111.5	P88 K89 L94 K95 E96	P88-S92 PolarHBondContact O-N 3.44Å; K89-S92 PolarHBondContact O-N 3.35Å; S92-L94 VanDerWaalsContact C-N 3.34Å; S92-L94 PolarHBondContact O-N 3.49Å; S92-K95 WeakPolarHBondContact O-CB 3.46Å; S92-K95 PolarHBondContact O-N 3.24Å; S92-K95 VanDerWaalsContact O-N 3.07Å; S92-E96 WeakPolarHBondContact O-CG 3.49Å; S92-E96 PolarHBondContact O-N 2.69Å; S92-E96 PolarHBondContact OG-OE1 3.15Å
93	S	94.1	Very high	93.1	Very high	9 Å²	9	44.9 Å²	44.9	6%	0.063	24%	0.242	C	C	.	.	H	α-helix	trans	-59.1	-43.7	179	-179.8	0	0	0	0	112.1	K89 V90 K95 E96 M97	K89-S93 WeakPolarHBondContact O-CB 3.41Å; K89-S93 PolarHBondContact O-N 2.81Å; V90-S93 PolarHBondContact O-N 2.95Å; S93-K95 VanDerWaalsContact C-N 3.33Å; S93-K95 PolarHBondContact O-N 3.07Å; S93-E96 PolarHBondContact O-N 3.31Å; S93-M97 WeakPolarHBondContact O-CB 3.37Å; S93-M97 VanDerWaalsContact O-CG 3.23Å; S93-M97 WeakPolarHBondContact O-CG 3.43Å; S93-M97 PolarHBondContact O-N 3.03Å
94	L	93.4	Very high	93.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-62.7	-37.4	175.9	-71	174.9	0	0	0	112.5	M68 F71 V90 I91 S92 G98 A99 F100 V132 M135 M136	M68-L94 HydrophobicContact CE-CD2 4.36Å; F71-L94 HydrophobicContact CB-CD2 4.34Å; F71-L94 HydrophobicContact CD2-CD2 3.73Å; F71-L94 HydrophobicContact CD2-CG 4.23Å; F71-L94 HydrophobicContact CE2-CD2 4.36Å; F71-L94 HydrophobicContact CG-CD2 4.14Å; V90-L94 HydrophobicContact CG1-CD1 4.11Å; V90-L94 VanDerWaalsContact O-CG 3.27Å; V90-L94 WeakPolarHBondContact O-CG 3.4Å; V90-L94 PolarHBondContact O-N 3.35Å; I91-L94 PolarHBondContact O-N 3.32Å; S92-L94 VanDerWaalsContact C-N 3.34Å; S92-L94 PolarHBondContact O-N 3.49Å; L94-G98 PolarHBondContact O-N 3Å; L94-A99 HydrophobicContact CB-CB 4.1Å; L94-A99 HydrophobicContact CD2-CB 3.84Å; L94-A99 WeakPolarHBondContact O-CB 3.41Å; L94-A99 PolarHBondContact O-N 3.47Å; L94-F100 HydrophobicContact CB-CD2 4.48Å; L94-F100 HydrophobicContact CB-CE2 3.76Å; L94-F100 HydrophobicContact CB-CZ 4.36Å; L94-V132 HydrophobicContact CD1-CG1 3.72Å; L94-M135 HydrophobicContact CD1-CE 3.9Å; L94-M136 HydrophobicContact CD1-SD 4.29Å; L94-M136 HydrophobicContact CD2-SD 3.99Å
95	K	93.1	Very high	93.4	Very high	84 Å²	84	40.3 Å²	40.3	37%	0.365	22%	0.215	S	C	.	.	H	α-helix	trans	-67.2	-47.1	175.7	-70.6	179.4	-175.5	-170.6	0	111.9	I91 S92 S93 M97 G98 F100 G166	I91-K95 HydrophobicContact CG2-CD 4.4Å; I91-K95 WeakPolarHBondContact O-CG 3.41Å; I91-K95 PolarHBondContact O-N 3.25Å; S92-K95 WeakPolarHBondContact O-CB 3.46Å; S92-K95 PolarHBondContact O-N 3.24Å; S92-K95 VanDerWaalsContact O-N 3.07Å; S93-K95 VanDerWaalsContact C-N 3.33Å; S93-K95 PolarHBondContact O-N 3.07Å; K95-M97 PolarHBondContact O-N 2.98Å; K95-G98 PolarHBondContact O-N 3.13Å; K95-F100 HydrophobicContact CG-CD2 3.83Å; K95-F100 HydrophobicContact CG-CE2 3.62Å; K95-G166 WeakPolarHBondContact CE-O 3.21Å; K95-G166 PolarHBondContact NZ-O 2.96Å; K95-G166 VanDerWaalsContact NZ-O 3.12Å
96	E	92.5	Very high	93.6	Very high	152 Å²	152	40.9 Å²	40.9	71%	0.71	22%	0.222	S	C	*	.	H	α-helix	trans	-59.8	-35	178.3	-72.1	162.8	-146.6	0	0	112	S92 S93 G98	S92-E96 WeakPolarHBondContact O-CG 3.49Å; S92-E96 PolarHBondContact O-N 2.69Å; S92-E96 PolarHBondContact OG-OE1 3.15Å; S93-E96 PolarHBondContact O-N 3.31Å; E96-G98 VanDerWaalsContact C-N 3.26Å; E96-G98 PolarHBondContact O-N 3.38Å
97	M	92	Very high	93.8	Very high	39 Å²	39	47.4 Å²	47.4	19%	0.192	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-6.7	175.4	-70.7	168.9	37.7	0	0	114.2	G67 M68 P70 F71 S93 K95 A99	G67-M97 WeakPolarHBondContact O-CE 3.22Å; M68-M97 HydrophobicContact CB-CE 4.37Å; M68-M97 HydrophobicContact CE-CE 3.63Å; M68-M97 HydrophobicContact CG-CE 4.28Å; M68-M97 HydrophobicContact SD-CE 3.2Å; M68-M97 WeakPolarHBondContact SD-CE 3.3Å; P70-M97 HydrophobicContact CB-SD 3.95Å; P70-M97 HydrophobicContact CG-SD 4.21Å; F71-M97 HydrophobicContact CB-CE 3.98Å; F71-M97 HydrophobicContact CB-SD 3.98Å; S93-M97 WeakPolarHBondContact O-CB 3.37Å; S93-M97 VanDerWaalsContact O-CG 3.23Å; S93-M97 WeakPolarHBondContact O-CG 3.43Å; S93-M97 PolarHBondContact O-N 3.03Å; K95-M97 PolarHBondContact O-N 2.98Å; M97-A99 VanDerWaalsContact C-N 3.26Å; M97-A99 PolarHBondContact O-N 3.46Å
98	G	93.2	Very high	94.1	Very high	18 Å²	18	46.6 Å²	46.6	19%	0.186	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.4	21.8	-173.6	0	0	0	0	0	113.7	L94 K95 E96 F100 G101	L94-G98 PolarHBondContact O-N 3Å; K95-G98 PolarHBondContact O-N 3.13Å; E96-G98 VanDerWaalsContact C-N 3.26Å; E96-G98 PolarHBondContact O-N 3.38Å; G98-F100 PolarHBondContact O-N 2.76Å; G98-F100 VanDerWaalsContact O-N 3.16Å; G98-G101 PolarHBondContact O-N 2.93Å
99	A	93.5	Very high	94.4	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.008	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-16.4	-172.1	0	0	0	0	0	114	L94 M97 L102 M136	L94-A99 HydrophobicContact CB-CB 4.1Å; L94-A99 HydrophobicContact CD2-CB 3.84Å; L94-A99 WeakPolarHBondContact O-CB 3.41Å; L94-A99 PolarHBondContact O-N 3.47Å; M97-A99 VanDerWaalsContact C-N 3.26Å; M97-A99 PolarHBondContact O-N 3.46Å; A99-L102 WeakPolarHBondContact O-CG 2.98Å; A99-M136 HydrophobicContact CB-CE 3.82Å; A99-M136 HydrophobicContact CB-SD 4.47Å; A99-M136 WeakPolarHBondContact O-CE 3.32Å
100	F	94	Very high	94.5	Very high	1 Å²	1	37.9 Å²	37.9	0%	0.004	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-21.8	174.7	-69.7	-81	0	0	0	112.6	L94 K95 G98 M135 H139 F144 I169	L94-F100 HydrophobicContact CB-CD2 4.48Å; L94-F100 HydrophobicContact CB-CE2 3.76Å; L94-F100 HydrophobicContact CB-CZ 4.36Å; K95-F100 HydrophobicContact CG-CD2 3.83Å; K95-F100 HydrophobicContact CG-CE2 3.62Å; G98-F100 PolarHBondContact O-N 2.76Å; G98-F100 VanDerWaalsContact O-N 3.16Å; F100-M135 HydrophobicContact CE1-CE 3.88Å; F100-M135 HydrophobicContact CE1-SD 4.43Å; F100-M135 HydrophobicContact CZ-CE 3.81Å; F100-H139 AromaticContact CD1-CD2 3.53Å; F100-H139 AromaticContact CD1-NE2 3.92Å; F100-H139 PolarHBondContact O-CD2 3.08Å; F100-H139 PolarHBondContact O-NE2 3.21Å; F100-F144 WeakPolarHBondContact O-CE1 3.23Å; F100-I169 HydrophobicContact CD1-CD1 3.51Å; F100-I169 HydrophobicContact CE1-CD1 3.42Å; F100-I169 VanDerWaalsContact CE1-CD1 3.42Å; F100-I169 HydrophobicContact CG-CD1 4.21Å; F100-I169 HydrophobicContact CZ-CD1 4.06Å
101	G	95.4	Very high	94.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.234	C	C	.	.			trans	-112.6	29.3	-175.5	0	0	0	0	0	114.8	G98 Q103 V104 G110 L111 A164	G98-G101 PolarHBondContact O-N 2.93Å; G101-Q103 VanDerWaalsContact C-N 3.33Å; G101-Q103 PolarHBondContact O-N 3.17Å; G101-V104 PolarHBondContact O-N 3.34Å; G101-V104 VanDerWaalsContact O-N 3.1Å; G101-G110 WeakPolarHBondContact O-CA 3.01Å; G101-L111 PolarHBondContact O-N 2.91Å; G101-A164 PolarHBondContact N-O 3.44Å; G101-A164 VanDerWaalsContact N-O 3.16Å
102	L	94.8	Very high	94.7	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.016	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-46.7	-170	-63.2	-177.9	0	0	0	112.9	A99 L111 G112 L113 Y118 L121 M136	A99-L102 WeakPolarHBondContact O-CG 2.98Å; L102-L111 HydrophobicContact CD2-CD1 3.64Å; L102-G112 PolarHBondContact O-N 3.35Å; L102-L113 HydrophobicContact CB-CD1 4.2Å; L102-L113 HydrophobicContact CD2-CD1 4.1Å; L102-L113 VanDerWaalsContact O-CB 3.24Å; L102-L113 WeakPolarHBondContact O-CB 3.43Å; L102-L113 VanDerWaalsContact O-CG 3.31Å; L102-L113 WeakPolarHBondContact O-CG 3.21Å; L102-L113 PolarHBondContact O-N 3Å; L102-Y118 HydrophobicContact CB-CD2 3.8Å; L102-Y118 HydrophobicContact CB-CE2 4.21Å; L102-Y118 HydrophobicContact CD1-CD2 3.73Å; L102-Y118 HydrophobicContact CD1-CE2 3.79Å; L102-Y118 HydrophobicContact CG-CD2 4.41Å; L102-L121 HydrophobicContact CD1-CB 4.26Å; L102-L121 HydrophobicContact CD1-CD1 4.04Å; L102-L121 HydrophobicContact CD2-CD1 3.59Å; L102-L121 HydrophobicContact CG-CD1 4.4Å; L102-M136 HydrophobicContact CD1-CE 4.1Å
103	Q	94.8	Very high	94.7	Very high	17 Å²	17	40.1 Å²	40.1	8%	0.079	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	3.8	179.8	-58.8	-165	-61.1	0	0	113.6	G101 N115 Y118 L148	G101-Q103 VanDerWaalsContact C-N 3.33Å; G101-Q103 PolarHBondContact O-N 3.17Å; Q103-N115 PolarHBondContact NE2-OD1 3.33Å; Q103-Y118 HydrophobicContact CG-CD2 3.66Å; Q103-Y118 HydrophobicContact CG-CE2 4.37Å; Q103-Y118 HydrophobicContact CG-CG 3.91Å; Q103-L148 HydrophobicContact CB-CD2 4.37Å
104	V	97.3	Very high	94.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.242	C	C	.	.	S	Bend	trans	-72.2	132.3	174.6	174.3	0	0	0	0	108.1	G101 G110 L111 G112 F144 L160 A164	G101-V104 PolarHBondContact O-N 3.34Å; G101-V104 VanDerWaalsContact O-N 3.1Å; V104-G110 CarbonylContact O-C 3.4Å; V104-G110 VanDerWaalsContact O-C 3.32Å; V104-G110 VanDerWaalsContact O-CA 3.25Å; V104-G110 WeakPolarHBondContact O-CA 3.35Å; V104-L111 PolarHBondContact O-N 3.18Å; V104-G112 WeakPolarHBondContact O-CA 3.4Å; V104-G112 PolarHBondContact O-N 3.28Å; V104-F144 HydrophobicContact CG2-CD2 4.42Å; V104-F144 HydrophobicContact CG2-CE1 4.29Å; V104-F144 HydrophobicContact CG2-CE2 3.6Å; V104-F144 HydrophobicContact CG2-CZ 3.5Å; V104-L160 HydrophobicContact CG1-CB 3.91Å; V104-L160 HydrophobicContact CG1-CD1 4.33Å; V104-L160 HydrophobicContact CG2-CD2 4.34Å; V104-A164 HydrophobicContact CB-CB 4.08Å; V104-A164 HydrophobicContact CG1-CB 3.95Å; V104-A164 HydrophobicContact CG2-CB 4.25Å
105	P	96.9	Very high	94.7	Very high	43 Å²	43	42.8 Å²	42.8	28%	0.279	25%	0.248	S	C	.	.			trans	-55.6	145	177.7	-28.2	34.5	0	0	0	112.6	K107 Y108 G110 L148	P105-K107 HydrophobicContact CB-CG 4.08Å; P105-K107 PolarHBondContact O-N 3.28Å; P105-Y108 HydrophobicContact CB-CD2 3.99Å; P105-Y108 HydrophobicContact CB-CE2 4.47Å; P105-Y108 HydrophobicContact CG-CD2 4.09Å; P105-Y108 HydrophobicContact CG-CE2 4.37Å; P105-Y108 PolarHBondContact O-N 3.17Å; P105-G110 PolarHBondContact O-N 2.94Å; P105-L148 HydrophobicContact CG-CD1 4.32Å
106	T	96.8	Very high	94.7	Very high	106 Å²	106	39.4 Å²	39.4	65%	0.65	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-56.8	-33.7	-179.1	52.7	0	0	0	0	113.4	Y108 G109 G110	T106-Y108 PolarHBondContact O-N 3.02Å; T106-Y108 VanDerWaalsContact O-N 3.11Å; T106-G109 PolarHBondContact O-N 3.31Å; T106-G110 WeakPolarHBondContact CA-O 3.41Å
107	K	97	Very high	94.7	Very high	151 Å²	151	34.7 Å²	34.7	66%	0.657	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-60.2	-19.3	174.4	68.4	174.3	-178.7	165.7	0	114.5	P105	P105-K107 HydrophobicContact CB-CG 4.08Å; P105-K107 PolarHBondContact O-N 3.28Å
108	Y	97.3	Very high	94.7	Very high	13 Å²	13	33 Å²	33	5%	0.051	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-108.5	19.6	174.2	-54	-61.9	0	0	0	111.9	P105 T106 G110 K156 Q157 L160 P161	P105-Y108 HydrophobicContact CB-CD2 3.99Å; P105-Y108 HydrophobicContact CB-CE2 4.47Å; P105-Y108 HydrophobicContact CG-CD2 4.09Å; P105-Y108 HydrophobicContact CG-CE2 4.37Å; P105-Y108 PolarHBondContact O-N 3.17Å; T106-Y108 PolarHBondContact O-N 3.02Å; T106-Y108 VanDerWaalsContact O-N 3.11Å; Y108-G110 PolarHBondContact O-N 3.49Å; Y108-K156 HydrophobicContact CE1-CB 4.11Å; Y108-K156 HydrophobicContact CE2-CB 3.84Å; Y108-K156 HydrophobicContact CE2-CD 4.44Å; Y108-K156 WeakPolarHBondContact OH-CB 3.47Å; Y108-Q157 HydrophobicContact CE1-CB 4.16Å; Y108-Q157 VanDerWaalsContact CE1-OE1 3.26Å; Y108-L160 HydrophobicContact CD2-CB 4.3Å; Y108-L160 HydrophobicContact CD2-CD1 3.55Å; Y108-L160 HydrophobicContact CE2-CD1 3.88Å; Y108-L160 HydrophobicContact CG-CB 4.04Å; Y108-L160 HydrophobicContact CG-CD1 4.14Å; Y108-P161 VanDerWaalsContact O-CA 3.27Å; Y108-P161 WeakPolarHBondContact O-CA 3.18Å
109	G	94.9	Very high	94.8	Very high	55 Å²	55	32.1 Å²	32.1	57%	0.567	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	79	11.1	176.4	0	0	0	0	0	115.8	T106	T106-G109 PolarHBondContact O-N 3.31Å
110	G	96.2	Very high	94.7	Very high	10 Å²	10	34.7 Å²	34.7	10%	0.103	21%	0.205	C	C	.	.	S	Bend	trans	-89	-179.8	172	0	0	0	0	0	113.8	G101 V104 P105 T106 Y108	G101-G110 WeakPolarHBondContact O-CA 3.01Å; V104-G110 CarbonylContact O-C 3.4Å; V104-G110 VanDerWaalsContact O-C 3.32Å; V104-G110 VanDerWaalsContact O-CA 3.25Å; V104-G110 WeakPolarHBondContact O-CA 3.35Å; P105-G110 PolarHBondContact O-N 2.94Å; T106-G110 WeakPolarHBondContact CA-O 3.41Å; Y108-G110 PolarHBondContact O-N 3.49Å
111	L	94	Very high	94.6	Very high	79 Å²	79	35.6 Å²	35.6	41%	0.414	21%	0.209	S	C	.	.			trans	-85.1	-14.6	178.7	-62.2	-174.3	0	0	0	113.6	G101 L102 V104 L113	G101-L111 PolarHBondContact O-N 2.91Å; L102-L111 HydrophobicContact CD2-CD1 3.64Å; V104-L111 PolarHBondContact O-N 3.18Å; L111-L113 VanDerWaalsContact C-N 3.26Å; L111-L113 HydrophobicContact CB-CD1 4.45Å; L111-L113 HydrophobicContact CB-CD2 4.2Å; L111-L113 HydrophobicContact CB-CG 3.87Å; L111-L113 HydrophobicContact CD1-CD1 4.37Å; L111-L113 PolarHBondContact O-N 3.4Å
112	G	93.9	Very high	94.6	Very high	38 Å²	38	36.1 Å²	36.1	39%	0.392	21%	0.213	S	C	.	.			trans	61.4	29.7	178.1	0	0	0	0	0	114.5	L102 V104	L102-G112 PolarHBondContact O-N 3.35Å; V104-G112 WeakPolarHBondContact O-CA 3.4Å; V104-G112 PolarHBondContact O-N 3.28Å
113	L	93.1	Very high	94.5	Very high	24 Å²	24	36.3 Å²	36.3	13%	0.126	21%	0.213	C	C	.	.			trans	-68.5	142.1	-176.7	-59.9	-175	0	0	0	112	L63 L102 L111 Q117 L121	L63-L113 HydrophobicContact CD1-CD1 4.47Å; L102-L113 HydrophobicContact CB-CD1 4.2Å; L102-L113 HydrophobicContact CD2-CD1 4.1Å; L102-L113 VanDerWaalsContact O-CB 3.24Å; L102-L113 WeakPolarHBondContact O-CB 3.43Å; L102-L113 VanDerWaalsContact O-CG 3.31Å; L102-L113 WeakPolarHBondContact O-CG 3.21Å; L102-L113 PolarHBondContact O-N 3Å; L111-L113 VanDerWaalsContact C-N 3.26Å; L111-L113 HydrophobicContact CB-CD1 4.45Å; L111-L113 HydrophobicContact CB-CD2 4.2Å; L111-L113 HydrophobicContact CB-CG 3.87Å; L111-L113 HydrophobicContact CD1-CD1 4.37Å; L111-L113 PolarHBondContact O-N 3.4Å; L113-Q117 HydrophobicContact CB-CB 3.85Å; L113-Q117 HydrophobicContact CD1-CB 4.45Å; L113-Q117 HydrophobicContact CD2-CB 4.27Å; L113-Q117 HydrophobicContact CG-CB 4.41Å; L113-L121 HydrophobicContact CD1-CD1 3.35Å; L113-L121 HydrophobicContact CD1-CG 4.34Å
114	S	93.1	Very high	94.4	Very high	40 Å²	40	36.1 Å²	36.1	28%	0.28	21%	0.213	S	C	.	.			trans	-62.8	166.6	167.8	94.5	0	0	0	0	111.2	T116 Q117 Y118 D354	S114-T116 VanDerWaalsContact C-N 3.27Å; S114-T116 PolarHBondContact O-N 3.21Å; S114-T116 PolarHBondContact OG-N 2.99Å; S114-Q117 PolarHBondContact O-N 3.15Å; S114-Q117 PolarHBondContact OG-N 3.06Å; S114-Y118 WeakPolarHBondContact O-CB 3.23Å; S114-Y118 PolarHBondContact O-N 3.4Å; S114-D354 WeakPolarHBondContact CB-OD2 3.4Å; S114-D354 PolarHBondContact OG-OD2 3.42Å
115	N	94.1	Very high	94.3	Very high	25 Å²	25	36.2 Å²	36.2	13%	0.134	21%	0.214	C	C	.	.	H	α-helix	trans	-61.9	-39	175.7	-57.9	-71.3	0	0	0	110.8	Q103 Q117 Y118 T119 F291 M353 D354	Q103-N115 PolarHBondContact NE2-OD1 3.33Å; N115-Q117 PolarHBondContact O-N 3.05Å; N115-Y118 WeakPolarHBondContact O-CB 3.1Å; N115-Y118 PolarHBondContact O-N 3.4Å; N115-T119 WeakPolarHBondContact O-CB 3.32Å; N115-T119 PolarHBondContact O-N 3.5Å; N115-T119 PolarHBondContact O-OG1 2.76Å; N115-T119 VanDerWaalsContact O-OG1 3.12Å; N115-F291 HydrophobicContact CB-CE1 4.47Å; N115-F291 HydrophobicContact CB-CE2 3.94Å; N115-F291 HydrophobicContact CB-CZ 3.79Å; N115-F291 WeakPolarHBondContact O-CE2 3.33Å; N115-M353 HydrophobicContact CB-CB 4.28Å; N115-D354 WeakPolarHBondContact CA-OD1 3.16Å; N115-D354 WeakPolarHBondContact CB-OD1 3.31Å; N115-D354 PolarHBondContact N-OD1 3.16Å; N115-D354 PolarHBondContact N-OD2 3.43Å; N115-D354 PolarHBondContact ND2-OD1 3.1Å
116	T	93.4	Very high	94.3	Very high	12 Å²	12	34.3 Å²	34.3	7%	0.074	20%	0.202	C	C	.	.	H	α-helix	trans	-66.3	-39.2	178.7	-53.5	0	0	0	0	111.9	H60 S114 T119 R120 Y347 D354	H60-T116 HydrophobicContact CB-CG2 3.64Å; S114-T116 VanDerWaalsContact C-N 3.27Å; S114-T116 PolarHBondContact O-N 3.21Å; S114-T116 PolarHBondContact OG-N 2.99Å; T116-T119 WeakPolarHBondContact O-CB 3.4Å; T116-T119 PolarHBondContact O-N 2.77Å; T116-R120 PolarHBondContact O-N 3.4Å; T116-R120 VanDerWaalsContact O-N 3.16Å; T116-Y347 HydrophobicContact CG2-CD1 3.92Å; T116-Y347 HydrophobicContact CG2-CE1 4.3Å; T116-D354 WeakPolarHBondContact CB-OD2 3.49Å; T116-D354 PolarHBondContact N-OD2 3.04Å; T116-D354 PolarHBondContact OG1-OD2 2.9Å
117	Q	92.5	Very high	94.2	Very high	53 Å²	53	30.5 Å²	30.5	25%	0.248	18%	0.181	C	C	.	.	H	α-helix	trans	-65.9	-42.5	173.9	-76.3	177.5	-36.9	0	0	111.7	L63 L113 S114 N115 R120 L121	L63-Q117 HydrophobicContact CD1-CB 3.65Å; L63-Q117 HydrophobicContact CD1-CG 3.82Å; L63-Q117 HydrophobicContact CG-CB 4.49Å; L63-Q117 HydrophobicContact CG-CG 4.13Å; L113-Q117 HydrophobicContact CB-CB 3.85Å; L113-Q117 HydrophobicContact CD1-CB 4.45Å; L113-Q117 HydrophobicContact CD2-CB 4.27Å; L113-Q117 HydrophobicContact CG-CB 4.41Å; S114-Q117 PolarHBondContact O-N 3.15Å; S114-Q117 PolarHBondContact OG-N 3.06Å; N115-Q117 PolarHBondContact O-N 3.05Å; Q117-R120 WeakPolarHBondContact O-CB 3.27Å; Q117-R120 PolarHBondContact O-N 2.96Å; Q117-L121 PolarHBondContact O-N 3.37Å
118	Y	93.4	Very high	94.1	Very high	3 Å²	3	26 Å²	26	1%	0.012	16%	0.164	C	C	.	.	H	α-helix	trans	-59.2	-47.8	172.8	177.4	-97.1	0	0	0	111.9	L102 Q103 S114 N115 R120 L121 V122 Q140 S141 F291	L102-Y118 HydrophobicContact CB-CD2 3.8Å; L102-Y118 HydrophobicContact CB-CE2 4.21Å; L102-Y118 HydrophobicContact CD1-CD2 3.73Å; L102-Y118 HydrophobicContact CD1-CE2 3.79Å; L102-Y118 HydrophobicContact CG-CD2 4.41Å; Q103-Y118 HydrophobicContact CG-CD2 3.66Å; Q103-Y118 HydrophobicContact CG-CE2 4.37Å; Q103-Y118 HydrophobicContact CG-CG 3.91Å; S114-Y118 WeakPolarHBondContact O-CB 3.23Å; S114-Y118 PolarHBondContact O-N 3.4Å; N115-Y118 WeakPolarHBondContact O-CB 3.1Å; N115-Y118 PolarHBondContact O-N 3.4Å; Y118-R120 PolarHBondContact O-N 3.26Å; Y118-L121 PolarHBondContact O-N 3.25Å; Y118-L121 VanDerWaalsContact O-N 3.09Å; Y118-V122 HydrophobicContact CD1-CG2 3.89Å; Y118-V122 HydrophobicContact CD2-CG2 4.19Å; Y118-V122 HydrophobicContact CE1-CG2 3.49Å; Y118-V122 VanDerWaalsContact CE1-CG2 3.49Å; Y118-V122 HydrophobicContact CE2-CG2 3.75Å; Y118-V122 HydrophobicContact CG-CG2 4.25Å; Y118-V122 VanDerWaalsContact CZ-CG2 3.4Å; Y118-V122 WeakPolarHBondContact O-CG2 3.21Å; Y118-V122 PolarHBondContact O-N 3.06Å; Y118-Q140 VanDerWaalsContact CE2-CD 3.43Å; Y118-Q140 HydrophobicContact CE2-CG 3.98Å; Y118-Q140 WeakPolarHBondContact OH-CG 3.39Å; Y118-S141 PolarHBondContact OH-OG 3.17Å; Y118-F291 HydrophobicContact CD1-CE1 4.48Å; Y118-F291 AromaticContact CD1-CE2 3.56Å; Y118-F291 HydrophobicContact CD1-CE2 3.56Å; Y118-F291 AromaticContact CD1-CZ 3.41Å; Y118-F291 HydrophobicContact CD1-CZ 3.41Å; Y118-F291 VanDerWaalsContact CD1-CZ 3.41Å; Y118-F291 HydrophobicContact CE1-CE2 4.21Å; Y118-F291 AromaticContact CE1-CZ 3.91Å; Y118-F291 HydrophobicContact CE1-CZ 3.91Å; Y118-F291 HydrophobicContact CG-CZ 4.32Å
119	T	93.9	Very high	94.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-51	-44.1	174.2	-72.2	0	0	0	0	111.2	N115 T116 L121 V122 E123 F291 A295 A346 Y347 S350	N115-T119 WeakPolarHBondContact O-CB 3.32Å; N115-T119 PolarHBondContact O-N 3.5Å; N115-T119 PolarHBondContact O-OG1 2.76Å; N115-T119 VanDerWaalsContact O-OG1 3.12Å; T116-T119 WeakPolarHBondContact O-CB 3.4Å; T116-T119 PolarHBondContact O-N 2.77Å; T119-L121 PolarHBondContact O-N 3.4Å; T119-V122 PolarHBondContact O-N 3.44Å; T119-E123 WeakPolarHBondContact O-CB 3.08Å; T119-E123 PolarHBondContact O-N 2.7Å; T119-F291 VanDerWaalsContact OG1-CD2 3.3Å; T119-F291 WeakPolarHBondContact OG1-CD2 3.33Å; T119-F291 VanDerWaalsContact OG1-CE2 3.25Å; T119-F291 WeakPolarHBondContact OG1-CE2 3.43Å; T119-A295 HydrophobicContact CG2-CB 3.76Å; T119-A346 HydrophobicContact CG2-CB 4.17Å; T119-Y347 HydrophobicContact CG2-CD1 4.04Å; T119-Y347 HydrophobicContact CG2-CD2 4.32Å; T119-Y347 HydrophobicContact CG2-CE1 3.89Å; T119-Y347 HydrophobicContact CG2-CE2 4.16Å; T119-Y347 HydrophobicContact CG2-CG 4.24Å; T119-S350 VanDerWaalsContact OG1-CB 3.3Å; T119-S350 WeakPolarHBondContact OG1-CB 3.3Å; T119-S350 PolarHBondContact OG1-OG 3.3Å
120	R	92.3	Very high	94.2	Very high	56 Å²	56	23.3 Å²	23.3	21%	0.211	14%	0.138	C	C	.	.	H	α-helix	trans	-62.5	-43.4	179.9	-177.9	60.4	-173.4	160.9	3.4	112.7	N65 T116 Q117 Y118 E123 V124 Y347	N65-R120 PolarHBondContact OD1-NE 3.2Å; N65-R120 PolarHBondContact OD1-NH2 3.22Å; T116-R120 PolarHBondContact O-N 3.4Å; T116-R120 VanDerWaalsContact O-N 3.16Å; Q117-R120 WeakPolarHBondContact O-CB 3.27Å; Q117-R120 PolarHBondContact O-N 2.96Å; Y118-R120 PolarHBondContact O-N 3.26Å; R120-E123 VanDerWaalsContact NH1-CD 3.27Å; R120-E123 IonicContact NH1-OE1 3.17Å; R120-E123 PolarHBondContact NH1-OE1 2.68Å; R120-E123 VanDerWaalsContact NH1-OE1 3.14Å; R120-E123 IonicContact NH1-OE2 2.75Å; R120-E123 PolarHBondContact NH1-OE2 3.02Å; R120-V124 PolarHBondContact O-N 3.3Å; R120-Y347 WeakPolarHBondContact CD-OH 3.2Å
121	L	92.3	Very high	94.2	Very high	19 Å²	19	22.8 Å²	22.8	10%	0.099	13%	0.133	C	C	.	.	H	α-helix	trans	-70	-42.1	179.4	-64.5	-176	0	0	0	111.7	L63 M68 L102 L113 Q117 Y118 T119 E123 V124 V125	L63-L121 HydrophobicContact CD1-CG 4.36Å; M68-L121 HydrophobicContact CG-CD2 3.79Å; M68-L121 HydrophobicContact SD-CD2 4.32Å; L102-L121 HydrophobicContact CD1-CB 4.26Å; L102-L121 HydrophobicContact CD1-CD1 4.04Å; L102-L121 HydrophobicContact CD2-CD1 3.59Å; L102-L121 HydrophobicContact CG-CD1 4.4Å; L113-L121 HydrophobicContact CD1-CD1 3.35Å; L113-L121 HydrophobicContact CD1-CG 4.34Å; Q117-L121 PolarHBondContact O-N 3.37Å; Y118-L121 PolarHBondContact O-N 3.25Å; Y118-L121 VanDerWaalsContact O-N 3.09Å; T119-L121 PolarHBondContact O-N 3.4Å; L121-E123 VanDerWaalsContact C-N 3.29Å; L121-E123 PolarHBondContact O-N 3.3Å; L121-V124 WeakPolarHBondContact O-CA 3.4Å; L121-V124 WeakPolarHBondContact O-CB 3.1Å; L121-V124 PolarHBondContact O-N 3.45Å; L121-V125 WeakPolarHBondContact O-CG2 3.35Å; L121-V125 PolarHBondContact O-N 3.47Å
122	V	93.9	Very high	94.3	Very high	12 Å²	12	19 Å²	19	7%	0.073	11%	0.113	C	C	.	.	H	α-helix	trans	-64	-35.1	177.4	176.2	0	0	0	0	111.8	Y118 T119 V124 V125 G126 G292 A295 A296	Y118-V122 HydrophobicContact CD1-CG2 3.89Å; Y118-V122 HydrophobicContact CD2-CG2 4.19Å; Y118-V122 HydrophobicContact CE1-CG2 3.49Å; Y118-V122 VanDerWaalsContact CE1-CG2 3.49Å; Y118-V122 HydrophobicContact CE2-CG2 3.75Å; Y118-V122 HydrophobicContact CG-CG2 4.25Å; Y118-V122 VanDerWaalsContact CZ-CG2 3.4Å; Y118-V122 WeakPolarHBondContact O-CG2 3.21Å; Y118-V122 PolarHBondContact O-N 3.06Å; T119-V122 PolarHBondContact O-N 3.44Å; V122-V124 VanDerWaalsContact C-N 3.3Å; V122-V124 PolarHBondContact O-N 3.42Å; V122-V125 PolarHBondContact O-N 3.33Å; V122-G126 PolarHBondContact O-N 2.81Å; V122-G292 VanDerWaalsContact CG1-O 3.29Å; V122-G292 WeakPolarHBondContact CG1-O 3.43Å; V122-A295 HydrophobicContact CB-CB 4.08Å; V122-A295 HydrophobicContact CG1-CB 3.99Å; V122-A296 HydrophobicContact CG1-CB 3.77Å
123	E	94.1	Very high	94.4	Very high	6 Å²	6	18 Å²	18	3%	0.028	10%	0.1	C	C	.	.	H	α-helix	trans	-59.4	-41.1	170.8	-169.2	-161.7	146.3	0	0	111.5	T119 R120 L121 A127 A295 G299 K302 Y347	T119-E123 WeakPolarHBondContact O-CB 3.08Å; T119-E123 PolarHBondContact O-N 2.7Å; R120-E123 VanDerWaalsContact NH1-CD 3.27Å; R120-E123 IonicContact NH1-OE1 3.17Å; R120-E123 PolarHBondContact NH1-OE1 2.68Å; R120-E123 VanDerWaalsContact NH1-OE1 3.14Å; R120-E123 IonicContact NH1-OE2 2.75Å; R120-E123 PolarHBondContact NH1-OE2 3.02Å; L121-E123 VanDerWaalsContact C-N 3.29Å; L121-E123 PolarHBondContact O-N 3.3Å; E123-A127 PolarHBondContact O-N 3.43Å; E123-A127 VanDerWaalsContact O-N 3.16Å; E123-A295 WeakPolarHBondContact CA-O 3.36Å; E123-G299 WeakPolarHBondContact O-CA 2.82Å; E123-K302 IonicContact OE1-NZ 3.94Å; E123-K302 PolarHBondContact OE1-NZ 2.93Å; E123-Y347 PolarHBondContact OE2-OH 2.62Å
124	V	93.3	Very high	94.4	Very high	13 Å²	13	17.8 Å²	17.8	8%	0.079	10%	0.1	C	C	.	.	H	α-helix	trans	-67.2	-45.3	176.3	177.1	0	0	0	0	111.1	M68 R120 L121 V122 A127 N128	M68-V124 HydrophobicContact CB-CG1 3.78Å; M68-V124 HydrophobicContact CG-CB 4.43Å; M68-V124 HydrophobicContact CG-CG1 4.14Å; R120-V124 PolarHBondContact O-N 3.3Å; L121-V124 WeakPolarHBondContact O-CA 3.4Å; L121-V124 WeakPolarHBondContact O-CB 3.1Å; L121-V124 PolarHBondContact O-N 3.45Å; V122-V124 VanDerWaalsContact C-N 3.3Å; V122-V124 PolarHBondContact O-N 3.42Å; V124-A127 PolarHBondContact O-N 2.98Å; V124-N128 PolarHBondContact O-ND2 3.06Å
125	V	94.5	Very high	94.5	Very high	2 Å²	2	16.8 Å²	16.8	1%	0.012	9%	0.091	C	C	.	.	H	α-helix	trans	-61.9	-46.2	178.5	-177.7	0	0	0	0	110.8	M68 F71 L121 V122 A127 N128 D129 V132 A133 M136	M68-V125 HydrophobicContact CE-CG2 3.55Å; F71-V125 HydrophobicContact CZ-CG1 4.47Å; L121-V125 WeakPolarHBondContact O-CG2 3.35Å; L121-V125 PolarHBondContact O-N 3.47Å; V122-V125 PolarHBondContact O-N 3.33Å; V125-A127 PolarHBondContact O-N 3.1Å; V125-N128 PolarHBondContact O-N 3.31Å; V125-D129 PolarHBondContact O-N 2.86Å; V125-V132 HydrophobicContact CG1-CB 4.08Å; V125-V132 HydrophobicContact CG1-CG1 3.79Å; V125-A133 HydrophobicContact CG1-CB 3.8Å; V125-M136 HydrophobicContact CG1-SD 4.23Å; V125-M136 HydrophobicContact CG2-CE 4.23Å; V125-M136 HydrophobicContact CG2-SD 4.11Å
126	G	95.8	Very high	94.4	Very high	3 Å²	3	15.8 Å²	15.8	3%	0.031	9%	0.086	C	C	.	.	H	α-helix	trans	-64.2	-24.8	179.4	0	0	0	0	0	114.4	V122 N128 T300	V122-G126 PolarHBondContact O-N 2.81Å; G126-N128 VanDerWaalsContact C-N 3.28Å; G126-T300 WeakPolarHBondContact O-CA 3.03Å; G126-T300 PolarHBondContact O-N 2.6Å; G126-T300 PolarHBondContact O-OG1 2.91Å
127	A	95.5	Very high	94.4	Very high	26 Å²	26	15.9 Å²	15.9	22%	0.215	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-13.5	172.3	0	0	0	0	0	113.8	E123 V124 V125 G299	E123-A127 PolarHBondContact O-N 3.43Å; E123-A127 VanDerWaalsContact O-N 3.16Å; V124-A127 PolarHBondContact O-N 2.98Å; V125-A127 PolarHBondContact O-N 3.1Å; A127-G299 WeakPolarHBondContact CA-O 3.37Å; A127-G299 WeakPolarHBondContact CB-O 3.02Å
128	N	95.4	Very high	94.4	Very high	56 Å²	56	13.9 Å²	13.9	30%	0.299	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.9	-51.5	-174.2	-72.7	-87.7	0	0	0	112.2	F71 P77 V124 V125 G126	F71-N128 HydrophobicContact CE1-CB 3.79Å; F71-N128 HydrophobicContact CZ-CB 4.2Å; P77-N128 WeakPolarHBondContact CG-O 3.47Å; V124-N128 PolarHBondContact O-ND2 3.06Å; V125-N128 PolarHBondContact O-N 3.31Å; G126-N128 VanDerWaalsContact C-N 3.28Å
129	D	96.7	Very high	94.4	Very high	2 Å²	2	13.8 Å²	13.8	1%	0.011	8%	0.082	C	C	.	.			trans	-153.9	115.7	178.5	-165	-10.8	0	0	0	112.4	N75 P77 N80 V125 S131 V132 A133 K399	N75-D129 WeakPolarHBondContact ND2-CB 3.35Å; P77-D129 HydrophobicContact CB-CB 4.28Å; P77-D129 HydrophobicContact CG-CB 4.15Å; N80-D129 PolarHBondContact ND2-OD2 3.03Å; V125-D129 PolarHBondContact O-N 2.86Å; D129-S131 VanDerWaalsContact C-N 3.29Å; D129-S131 PolarHBondContact O-N 2.59Å; D129-S131 WeakPolarHBondContact OD1-CB 3.48Å; D129-S131 PolarHBondContact OD1-N 3.29Å; D129-V132 HydrophobicContact CB-CB 4.14Å; D129-V132 HydrophobicContact CB-CG2 3.85Å; D129-V132 PolarHBondContact O-N 3.07Å; D129-A133 PolarHBondContact O-N 3.03Å; D129-K399 IonicContact OD1-NZ 3.81Å; D129-K399 PolarHBondContact OD1-NZ 3.08Å
130	L	97.3	Very high	94.4	Very high	10 Å²	10	13.8 Å²	13.8	5%	0.052	8%	0.082	C	C	.	.	H	α-helix	trans	-69.7	-24.1	177.1	-75.2	176.1	0	0	0	113.1	A133 T134 M297 T300 D403 L404	L130-A133 HydrophobicContact CD2-CB 4.4Å; L130-A133 PolarHBondContact O-N 3.31Å; L130-T134 VanDerWaalsContact O-CB 3.29Å; L130-T134 WeakPolarHBondContact O-CB 3.4Å; L130-T134 PolarHBondContact O-N 3.42Å; L130-T134 PolarHBondContact O-OG1 3.39Å; L130-M297 HydrophobicContact CD1-CE 4.41Å; L130-M297 HydrophobicContact CD2-CE 3.57Å; L130-T300 HydrophobicContact CD1-CG2 4.11Å; L130-T300 WeakPolarHBondContact CD2-OG1 3.43Å; L130-D403 HydrophobicContact CB-CB 3.75Å; L130-D403 HydrophobicContact CD1-CB 3.63Å; L130-D403 HydrophobicContact CG-CB 4.34Å; L130-L404 HydrophobicContact CD1-CD2 3.91Å; L130-L404 HydrophobicContact CD1-CG 3.94Å
131	S	96.3	Very high	94.4	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-64.1	-46.7	171.4	-63.8	0	0	0	0	110.3	D129 T134 M135 I251	D129-S131 VanDerWaalsContact C-N 3.29Å; D129-S131 PolarHBondContact O-N 2.59Å; D129-S131 WeakPolarHBondContact OD1-CB 3.48Å; D129-S131 PolarHBondContact OD1-N 3.29Å; S131-T134 PolarHBondContact O-N 3.34Å; S131-M135 PolarHBondContact O-N 2.87Å; S131-I251 WeakPolarHBondContact OG-CA 3.5Å
132	V	95.2	Very high	94.4	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-64.5	-45.1	176.8	178.9	0	0	0	0	110.5	F71 F86 V90 L94 V125 D129 T134 M135 M136	F71-V132 HydrophobicContact CE2-CB 4.28Å; F71-V132 HydrophobicContact CE2-CG1 3.81Å; F71-V132 HydrophobicContact CE2-CG2 4.01Å; F71-V132 HydrophobicContact CZ-CB 4.26Å; F71-V132 HydrophobicContact CZ-CG1 4.03Å; F71-V132 HydrophobicContact CZ-CG2 4.28Å; F86-V132 HydrophobicContact CD1-CG2 3.95Å; F86-V132 HydrophobicContact CE1-CB 4.32Å; F86-V132 HydrophobicContact CE1-CG2 3.44Å; F86-V132 VanDerWaalsContact CE1-CG2 3.44Å; F86-V132 HydrophobicContact CZ-CG2 4.25Å; V90-V132 HydrophobicContact CG1-CG2 4.33Å; L94-V132 HydrophobicContact CD1-CG1 3.72Å; V125-V132 HydrophobicContact CG1-CB 4.08Å; V125-V132 HydrophobicContact CG1-CG1 3.79Å; D129-V132 HydrophobicContact CB-CB 4.14Å; D129-V132 HydrophobicContact CB-CG2 3.85Å; D129-V132 PolarHBondContact O-N 3.07Å; V132-T134 PolarHBondContact O-N 2.93Å; V132-M135 PolarHBondContact O-N 3.42Å; V132-M136 HydrophobicContact CG1-CG 4.24Å; V132-M136 HydrophobicContact CG1-SD 3.75Å; V132-M136 WeakPolarHBondContact O-CB 3.41Å; V132-M136 WeakPolarHBondContact O-CG 3.49Å; V132-M136 PolarHBondContact O-N 3.1Å
133	A	95.5	Very high	94.3	Very high	15 Å²	15	11 Å²	11	12%	0.124	7%	0.071	C	C	.	.	H	α-helix	trans	-56.7	-41.1	175.9	0	0	0	0	0	111.6	V125 D129 L130 G137	V125-A133 HydrophobicContact CG1-CB 3.8Å; D129-A133 PolarHBondContact O-N 3.03Å; L130-A133 HydrophobicContact CD2-CB 4.4Å; L130-A133 PolarHBondContact O-N 3.31Å; A133-G137 WeakPolarHBondContact O-CA 3.49Å; A133-G137 PolarHBondContact O-N 3.12Å
134	T	94.9	Very high	94.4	Very high	21 Å²	21	10.7 Å²	10.7	13%	0.129	7%	0.069	C	C	.	.	H	α-helix	trans	-69.6	-46	179.5	-57.3	0	0	0	0	111.5	L130 S131 V132 G137 A138 I251	L130-T134 VanDerWaalsContact O-CB 3.29Å; L130-T134 WeakPolarHBondContact O-CB 3.4Å; L130-T134 PolarHBondContact O-N 3.42Å; L130-T134 PolarHBondContact O-OG1 3.39Å; S131-T134 PolarHBondContact O-N 3.34Å; V132-T134 PolarHBondContact O-N 2.93Å; T134-G137 PolarHBondContact O-N 3.41Å; T134-A138 WeakPolarHBondContact O-CB 3.29Å; T134-A138 PolarHBondContact O-N 3.02Å; T134-I251 HydrophobicContact CG2-CD1 4.02Å
135	M	93.9	Very high	94.5	Very high	18 Å²	18	10.3 Å²	10.3	9%	0.089	7%	0.066	C	C	.	.	H	α-helix	trans	-60.1	-50	176.6	177.2	-160.8	64.6	0	0	111.3	F86 I91 L94 F100 S131 V132 A138 H139	F86-M135 HydrophobicContact CD2-SD 3.89Å; F86-M135 HydrophobicContact CE2-CB 3.96Å; F86-M135 HydrophobicContact CE2-CE 4.44Å; F86-M135 HydrophobicContact CE2-CG 4.16Å; F86-M135 HydrophobicContact CE2-SD 3.53Å; F86-M135 VanDerWaalsContact CE2-SD 3.53Å; F86-M135 HydrophobicContact CZ-CB 4.09Å; F86-M135 HydrophobicContact CZ-SD 4.3Å; I91-M135 HydrophobicContact CD1-CE 3.84Å; I91-M135 HydrophobicContact CD1-SD 3.75Å; L94-M135 HydrophobicContact CD1-CE 3.9Å; F100-M135 HydrophobicContact CE1-CE 3.88Å; F100-M135 HydrophobicContact CE1-SD 4.43Å; F100-M135 HydrophobicContact CZ-CE 3.81Å; S131-M135 PolarHBondContact O-N 2.87Å; V132-M135 PolarHBondContact O-N 3.42Å; M135-A138 PolarHBondContact O-N 3.26Å; M135-H139 WeakPolarHBondContact O-CB 3.37Å; M135-H139 PolarHBondContact O-N 2.74Å
136	M	92.8	Very high	94.5	Very high	4 Å²	4	10.2 Å²	10.2	2%	0.02	7%	0.066	C	C	.	.	H	α-helix	trans	-62.5	-44.1	178.4	-73.5	179.1	58.3	0	0	111.1	L94 A99 L102 V125 V132 H139 Q140	L94-M136 HydrophobicContact CD1-SD 4.29Å; L94-M136 HydrophobicContact CD2-SD 3.99Å; A99-M136 HydrophobicContact CB-CE 3.82Å; A99-M136 HydrophobicContact CB-SD 4.47Å; A99-M136 WeakPolarHBondContact O-CE 3.32Å; L102-M136 HydrophobicContact CD1-CE 4.1Å; V125-M136 HydrophobicContact CG1-SD 4.23Å; V125-M136 HydrophobicContact CG2-CE 4.23Å; V125-M136 HydrophobicContact CG2-SD 4.11Å; V132-M136 HydrophobicContact CG1-CG 4.24Å; V132-M136 HydrophobicContact CG1-SD 3.75Å; V132-M136 WeakPolarHBondContact O-CB 3.41Å; V132-M136 WeakPolarHBondContact O-CG 3.49Å; V132-M136 PolarHBondContact O-N 3.1Å; M136-H139 PolarHBondContact O-N 3.42Å; M136-Q140 WeakPolarHBondContact O-CG 3.28Å; M136-Q140 PolarHBondContact O-N 2.98Å; M136-Q140 VanDerWaalsContact O-N 3.11Å; M136-Q140 PolarHBondContact O-NE2 3.38Å; M136-Q140 VanDerWaalsContact O-NE2 3.11Å
137	G	93.3	Very high	94.5	Very high	14 Å²	14	10 Å²	10	14%	0.144	6%	0.064	C	C	.	.	H	α-helix	trans	-60.7	-49	176.7	0	0	0	0	0	111.9	A133 T134 H139 Q140 S141	A133-G137 WeakPolarHBondContact O-CA 3.49Å; A133-G137 PolarHBondContact O-N 3.12Å; T134-G137 PolarHBondContact O-N 3.41Å; G137-H139 VanDerWaalsContact C-N 3.3Å; G137-H139 PolarHBondContact O-N 2.84Å; G137-Q140 PolarHBondContact O-N 2.87Å; G137-S141 WeakPolarHBondContact O-CA 3.26Å; G137-S141 WeakPolarHBondContact O-CB 3.36Å; G137-S141 PolarHBondContact O-N 2.9Å; G137-S141 PolarHBondContact O-OG 3.39Å
138	A	92.3	Very high	94.5	Very high	11 Å²	11	10.1 Å²	10.1	9%	0.091	6%	0.061	C	C	.	.	I	π-helix	trans	-57.6	-43.6	177.2	0	0	0	0	0	111.7	T134 M135 I142 G143 V203	T134-A138 WeakPolarHBondContact O-CB 3.29Å; T134-A138 PolarHBondContact O-N 3.02Å; M135-A138 PolarHBondContact O-N 3.26Å; A138-I142 HydrophobicContact CB-CD1 4.41Å; A138-I142 WeakPolarHBondContact O-CG1 3.43Å; A138-G143 VanDerWaalsContact O-CA 3.26Å; A138-G143 WeakPolarHBondContact O-CA 3.33Å; A138-G143 PolarHBondContact O-N 2.96Å; A138-V203 HydrophobicContact CB-CG2 3.81Å
139	H	93.7	Very high	94.4	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.005	6%	0.063	C	C	.	.	I	π-helix	trans	-62.2	-50	178.4	174.9	55.9	0	0	0	113.2	F100 M135 M136 G137 G143 F144 L163 H168 I169 A170	F100-H139 AromaticContact CD1-CD2 3.53Å; F100-H139 AromaticContact CD1-NE2 3.92Å; F100-H139 PolarHBondContact O-CD2 3.08Å; F100-H139 PolarHBondContact O-NE2 3.21Å; M135-H139 WeakPolarHBondContact O-CB 3.37Å; M135-H139 PolarHBondContact O-N 2.74Å; M136-H139 PolarHBondContact O-N 3.42Å; G137-H139 VanDerWaalsContact C-N 3.3Å; G137-H139 PolarHBondContact O-N 2.84Å; H139-G143 CarbonylContact O-C 3.44Å; H139-G143 WeakPolarHBondContact O-CA 3.5Å; H139-G143 PolarHBondContact O-N 3.49Å; H139-F144 AromaticContact CD2-CD1 3.98Å; H139-F144 AromaticContact CD2-CE1 3.58Å; H139-F144 AromaticContact CE1-CD1 3.64Å; H139-F144 AromaticContact CE1-CE1 3.91Å; H139-F144 AromaticContact ND1-CD1 3.9Å; H139-F144 AromaticContact NE2-CD1 3.67Å; H139-F144 AromaticContact NE2-CE1 3.43Å; H139-F144 WeakPolarHBondContact NE2-CE1 3.43Å; H139-F144 WeakPolarHBondContact O-CD1 3.25Å; H139-F144 PolarHBondContact O-N 3.47Å; H139-L163 PolarHBondContact NE2-O 3.45Å; H139-L163 VanDerWaalsContact NE2-O 3.1Å; H139-H168 PolarHBondContact CE1-O 2.91Å; H139-I169 HydrophobicContact CB-CG2 4.02Å; H139-A170 PolarHBondContact ND1-N 2.95Å
140	Q	93.6	Very high	94.4	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.005	8%	0.077	C	C	.	.	I	π-helix	trans	-105	-32.2	-166.5	75.9	-163.3	-59.1	0	0	115.6	Y118 M136 G137 F144	Y118-Q140 VanDerWaalsContact CE2-CD 3.43Å; Y118-Q140 HydrophobicContact CE2-CG 3.98Å; Y118-Q140 WeakPolarHBondContact OH-CG 3.39Å; M136-Q140 WeakPolarHBondContact O-CG 3.28Å; M136-Q140 PolarHBondContact O-N 2.98Å; M136-Q140 VanDerWaalsContact O-N 3.11Å; M136-Q140 PolarHBondContact O-NE2 3.38Å; M136-Q140 VanDerWaalsContact O-NE2 3.11Å; G137-Q140 PolarHBondContact O-N 2.87Å; Q140-F144 VanDerWaalsContact CA-CZ 3.49Å; Q140-F144 HydrophobicContact CB-CD1 4.24Å; Q140-F144 HydrophobicContact CB-CE1 3.36Å; Q140-F144 HydrophobicContact CB-CE2 4.01Å; Q140-F144 HydrophobicContact CB-CZ 3.22Å
141	S	92.3	Very high	94.4	Very high	5 Å²	5	13.9 Å²	13.9	4%	0.035	8%	0.077	C	C	.	.	I	π-helix	trans	-82.7	-27.6	-177.1	-55.4	0	0	0	0	111.9	Y118 G137 K145	Y118-S141 PolarHBondContact OH-OG 3.17Å; G137-S141 WeakPolarHBondContact O-CA 3.26Å; G137-S141 WeakPolarHBondContact O-CB 3.36Å; G137-S141 PolarHBondContact O-N 2.9Å; G137-S141 PolarHBondContact O-OG 3.39Å; S141-K145 VanDerWaalsContact O-CB 3.25Å; S141-K145 WeakPolarHBondContact O-CB 3.41Å; S141-K145 WeakPolarHBondContact O-CG 3.23Å
142	I	93.1	Very high	94.4	Very high	22 Å²	22	16.8 Å²	16.8	11%	0.113	10%	0.095	C	C	.	.	I	π-helix	trans	-128.3	-39.5	179.2	58.5	-177.4	0	0	0	112.9	A138 F172 Q210 I285 L286	A138-I142 HydrophobicContact CB-CD1 4.41Å; A138-I142 WeakPolarHBondContact O-CG1 3.43Å; I142-F172 HydrophobicContact CB-CB 3.91Å; I142-F172 HydrophobicContact CB-CD1 3.94Å; I142-F172 HydrophobicContact CB-CG 3.96Å; I142-F172 HydrophobicContact CD1-CB 3.83Å; I142-F172 HydrophobicContact CD1-CD1 4Å; I142-F172 HydrophobicContact CD1-CG 4.32Å; I142-F172 HydrophobicContact CG1-CB 3.69Å; I142-F172 HydrophobicContact CG1-CD1 4.3Å; I142-F172 HydrophobicContact CG1-CG 4.25Å; I142-Q210 PolarHBondContact O-NE2 2.56Å; I142-Q210 PolarHBondContact O-OE1 3.06Å; I142-I285 HydrophobicContact CB-CG2 4.1Å; I142-I285 HydrophobicContact CG2-CG2 4.05Å; I142-L286 HydrophobicContact CG2-CD2 4.08Å
143	G	92.1	Very high	94.5	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.121	C	C	.	.	I	π-helix	trans	-63.1	-63.7	-172.6	0	0	0	0	0	113.7	A138 H139 Q210	A138-G143 VanDerWaalsContact O-CA 3.26Å; A138-G143 WeakPolarHBondContact O-CA 3.33Å; A138-G143 PolarHBondContact O-N 2.96Å; H139-G143 CarbonylContact O-C 3.44Å; H139-G143 WeakPolarHBondContact O-CA 3.5Å; H139-G143 PolarHBondContact O-N 3.49Å; G143-Q210 WeakPolarHBondContact O-CB 3.3Å; G143-Q210 PolarHBondContact O-OE1 3.06Å
144	F	94.4	Very high	94.5	Very high	1 Å²	1	26.4 Å²	26.4	0%	0.004	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-0.6	176.7	67.4	-117.6	0	0	0	114.5	F100 V104 H139 Q140 G146 I147 L148 L160 L163 A170	F100-F144 WeakPolarHBondContact O-CE1 3.23Å; V104-F144 HydrophobicContact CG2-CD2 4.42Å; V104-F144 HydrophobicContact CG2-CE1 4.29Å; V104-F144 HydrophobicContact CG2-CE2 3.6Å; V104-F144 HydrophobicContact CG2-CZ 3.5Å; H139-F144 AromaticContact CD2-CD1 3.98Å; H139-F144 AromaticContact CD2-CE1 3.58Å; H139-F144 AromaticContact CE1-CD1 3.64Å; H139-F144 AromaticContact CE1-CE1 3.91Å; H139-F144 AromaticContact ND1-CD1 3.9Å; H139-F144 AromaticContact NE2-CD1 3.67Å; H139-F144 AromaticContact NE2-CE1 3.43Å; H139-F144 WeakPolarHBondContact NE2-CE1 3.43Å; H139-F144 WeakPolarHBondContact O-CD1 3.25Å; H139-F144 PolarHBondContact O-N 3.47Å; Q140-F144 VanDerWaalsContact CA-CZ 3.49Å; Q140-F144 HydrophobicContact CB-CD1 4.24Å; Q140-F144 HydrophobicContact CB-CE1 3.36Å; Q140-F144 HydrophobicContact CB-CE2 4.01Å; Q140-F144 HydrophobicContact CB-CZ 3.22Å; F144-G146 PolarHBondContact O-N 3.41Å; F144-I147 PolarHBondContact O-N 3.41Å; F144-L148 HydrophobicContact CD2-CB 4.42Å; F144-L148 HydrophobicContact CE2-CD2 4.32Å; F144-L148 PolarHBondContact O-N 2.88Å; F144-L148 VanDerWaalsContact O-N 3.08Å; F144-L160 HydrophobicContact CD2-CD2 4.25Å; F144-L163 HydrophobicContact CB-CD1 3.63Å; F144-L163 HydrophobicContact CB-CD2 4.49Å; F144-L163 HydrophobicContact CD1-CB 4.12Å; F144-L163 HydrophobicContact CG-CD1 4.33Å; F144-A170 HydrophobicContact CB-CB 4.22Å
145	K	95.3	Very high	94.6	Very high	4 Å²	4	25.9 Å²	25.9	2%	0.017	14%	0.141	C	C	.	.	H	α-helix	trans	-61.4	-31.6	-170.8	-166.6	65.2	129.2	167.1	0	112.7	S141 L148 L149 I285 N288	S141-K145 VanDerWaalsContact O-CB 3.25Å; S141-K145 WeakPolarHBondContact O-CB 3.41Å; S141-K145 WeakPolarHBondContact O-CG 3.23Å; K145-L148 HydrophobicContact CD-CD2 4.12Å; K145-L148 WeakPolarHBondContact O-CB 3.29Å; K145-L148 PolarHBondContact O-N 3.39Å; K145-L149 HydrophobicContact CD-CG 4.42Å; K145-L149 HydrophobicContact CG-CD1 3.97Å; K145-L149 HydrophobicContact CG-CG 4.25Å; K145-L149 WeakPolarHBondContact O-CB 3.29Å; K145-L149 WeakPolarHBondContact O-CG 3.38Å; K145-L149 PolarHBondContact O-N 3.06Å; K145-I285 HydrophobicContact CB-CG1 4.32Å; K145-I285 HydrophobicContact CB-CG2 3.91Å; K145-I285 HydrophobicContact CG-CG1 4.33Å; K145-I285 HydrophobicContact CG-CG2 4.21Å; K145-N288 WeakPolarHBondContact CE-OD1 3.45Å; K145-N288 PolarHBondContact NZ-OD1 3.34Å
146	G	94.5	Very high	94.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63.8	-42.7	174.9	0	0	0	0	0	112.6	F144 L148 L149 Y150 G151	F144-G146 PolarHBondContact O-N 3.41Å; G146-L148 VanDerWaalsContact C-N 3.32Å; G146-L148 PolarHBondContact O-N 3.32Å; G146-L149 PolarHBondContact O-N 3.22Å; G146-Y150 WeakPolarHBondContact O-CA 3.49Å; G146-Y150 WeakPolarHBondContact O-CB 3.29Å; G146-Y150 PolarHBondContact O-N 3.27Å; G146-G151 PolarHBondContact O-N 2.94Å
147	I	96.1	Very high	95	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-63.3	-40.7	172.5	-62.6	-62.8	0	0	0	110.6	F144 L149 G151 Q155 K156 Y159 L160 F232 I272	F144-I147 PolarHBondContact O-N 3.41Å; I147-L149 PolarHBondContact O-N 3.08Å; I147-G151 WeakPolarHBondContact O-CA 3.38Å; I147-G151 PolarHBondContact O-N 3.14Å; I147-Q155 HydrophobicContact CD1-CB 4.28Å; I147-K156 HydrophobicContact CG2-CG 4.09Å; I147-K156 WeakPolarHBondContact O-CE 3.39Å; I147-Y159 HydrophobicContact CD1-CD2 4.13Å; I147-Y159 HydrophobicContact CG1-CD2 4.48Å; I147-L160 HydrophobicContact CG2-CD2 3.98Å; I147-L160 HydrophobicContact CG2-CG 4.09Å; I147-F232 HydrophobicContact CD1-CB 3.9Å; I147-F232 HydrophobicContact CD1-CD1 4.29Å; I147-F232 HydrophobicContact CD1-CD2 4.23Å; I147-F232 HydrophobicContact CD1-CG 3.89Å; I147-F232 HydrophobicContact CG1-CB 4.34Å; I147-F232 HydrophobicContact CG1-CD1 4.13Å; I147-F232 HydrophobicContact CG1-CD2 3.73Å; I147-F232 HydrophobicContact CG1-CE1 4.33Å; I147-F232 HydrophobicContact CG1-CE2 3.98Å; I147-F232 HydrophobicContact CG1-CG 3.81Å; I147-F232 HydrophobicContact CG1-CZ 4.26Å; I147-I272 HydrophobicContact CD1-CD1 4.14Å; I147-I272 HydrophobicContact CD1-CG1 4.02Å; I147-I272 HydrophobicContact CG1-CD1 4.49Å
148	L	95.5	Very high	95.1	Very high	28 Å²	28	36.3 Å²	36.3	15%	0.147	18%	0.183	C	C	.	.	H	α-helix	trans	-62.7	-44.7	179.2	-173.8	61.9	0	0	0	112	Q103 P105 F144 K145 G146 K156 L160	Q103-L148 HydrophobicContact CB-CD2 4.37Å; P105-L148 HydrophobicContact CG-CD1 4.32Å; F144-L148 HydrophobicContact CD2-CB 4.42Å; F144-L148 HydrophobicContact CE2-CD2 4.32Å; F144-L148 PolarHBondContact O-N 2.88Å; F144-L148 VanDerWaalsContact O-N 3.08Å; K145-L148 HydrophobicContact CD-CD2 4.12Å; K145-L148 WeakPolarHBondContact O-CB 3.29Å; K145-L148 PolarHBondContact O-N 3.39Å; G146-L148 VanDerWaalsContact C-N 3.32Å; G146-L148 PolarHBondContact O-N 3.32Å; L148-K156 WeakPolarHBondContact O-CE 3.34Å; L148-K156 PolarHBondContact O-NZ 3.48Å; L148-K156 VanDerWaalsContact O-NZ 3.14Å; L148-L160 HydrophobicContact CD1-CD1 4.23Å
149	L	94.8	Very high	95.3	Very high	64 Å²	64	35.9 Å²	35.9	34%	0.335	18%	0.179	S	C	.	.	H	α-helix	trans	-81.7	-45.6	-176.2	-65.1	178.3	0	0	0	113.4	K145 G146 I147 I285 N288	K145-L149 HydrophobicContact CD-CG 4.42Å; K145-L149 HydrophobicContact CG-CD1 3.97Å; K145-L149 HydrophobicContact CG-CG 4.25Å; K145-L149 WeakPolarHBondContact O-CB 3.29Å; K145-L149 WeakPolarHBondContact O-CG 3.38Å; K145-L149 PolarHBondContact O-N 3.06Å; G146-L149 PolarHBondContact O-N 3.22Å; I147-L149 PolarHBondContact O-N 3.08Å; L149-I285 HydrophobicContact CD1-CG1 4.25Å; L149-N288 HydrophobicContact CD1-CB 4.29Å
150	Y	96.5	Very high	95.4	Very high	77 Å²	77	35.9 Å²	35.9	30%	0.302	18%	0.179	S	C	.	.	H	α-helix	trans	-119.2	-5.6	-168.7	-59.6	-79.3	0	0	0	114	G146 V281 N284	G146-Y150 WeakPolarHBondContact O-CA 3.49Å; G146-Y150 WeakPolarHBondContact O-CB 3.29Å; G146-Y150 PolarHBondContact O-N 3.27Å; Y150-V281 HydrophobicContact CD1-CG2 4.43Å; Y150-V281 HydrophobicContact CD2-CB 4.4Å; Y150-V281 HydrophobicContact CD2-CG1 3.79Å; Y150-V281 HydrophobicContact CD2-CG2 4.09Å; Y150-V281 HydrophobicContact CE2-CB 4.37Å; Y150-V281 HydrophobicContact CE2-CG1 4.06Å; Y150-V281 HydrophobicContact CE2-CG2 4.23Å; Y150-V281 HydrophobicContact CG-CG2 4.21Å; Y150-N284 HydrophobicContact CE2-CB 4.32Å; Y150-N284 WeakPolarHBondContact OH-CB 3.42Å; Y150-N284 PolarHBondContact OH-ND2 2.87Å
151	G	95.8	Very high	95.6	Very high	6 Å²	6	37.5 Å²	37.5	6%	0.062	19%	0.19	C	C	.	.			trans	-66.7	142.6	-178.7	0	0	0	0	0	112.2	G146 I147 K156	G146-G151 PolarHBondContact O-N 2.94Å; I147-G151 WeakPolarHBondContact O-CA 3.38Å; I147-G151 PolarHBondContact O-N 3.14Å; G151-K156 WeakPolarHBondContact O-CD 3.48Å; G151-K156 WeakPolarHBondContact O-CE 3.27Å; G151-K156 PolarHBondContact O-NZ 3.18Å
152	T	96.7	Very high	95.7	Very high	61 Å²	61	39.9 Å²	39.9	37%	0.374	20%	0.202	S	C	.	.			trans	-64.8	162.7	171.4	79.6	0	0	0	0	110.7	E154 Q155 K156	T152-E154 WeakPolarHBondContact CB-OE2 3.09Å; T152-E154 PolarHBondContact O-N 3.11Å; T152-E154 PolarHBondContact OG1-N 3.16Å; T152-E154 PolarHBondContact OG1-OE2 3.29Å; T152-Q155 PolarHBondContact O-N 2.96Å; T152-Q155 PolarHBondContact OG1-N 2.9Å; T152-K156 WeakPolarHBondContact O-CB 3.29Å; T152-K156 WeakPolarHBondContact O-CG 3.41Å; T152-K156 PolarHBondContact O-N 3.17Å
153	P	97.2	Very high	95.8	Very high	85 Å²	85	38.8 Å²	38.8	55%	0.552	20%	0.197	S	C	*	.	H	α-helix	trans	-52	-38.7	173.6	-27.3	36.7	0	0	0	113.3	K156 Q157	P153-K156 PolarHBondContact O-N 2.94Å; P153-Q157 WeakPolarHBondContact O-CB 3.41Å; P153-Q157 PolarHBondContact O-N 3.16Å
154	E	96.8	Very high	96	Very high	132 Å²	132	38.9 Å²	38.9	62%	0.617	20%	0.198	S	C	*	.	H	α-helix	trans	-69.2	-48.4	-180	-56.6	68.2	-143.6	0	0	111	T152 K156 Q157 K158	T152-E154 WeakPolarHBondContact CB-OE2 3.09Å; T152-E154 PolarHBondContact O-N 3.11Å; T152-E154 PolarHBondContact OG1-N 3.16Å; T152-E154 PolarHBondContact OG1-OE2 3.29Å; E154-K156 VanDerWaalsContact C-N 3.3Å; E154-K156 PolarHBondContact O-N 3.44Å; E154-Q157 PolarHBondContact O-N 2.94Å; E154-K158 WeakPolarHBondContact O-CB 3.44Å; E154-K158 PolarHBondContact O-N 3.17Å
155	Q	95.8	Very high	96	Very high	10 Å²	10	42 Å²	42	5%	0.047	22%	0.217	C	C	.	.	H	α-helix	trans	-59.1	-43.6	175.1	-72.1	177.2	-34	0	0	111.2	I147 T152 Q157 K158 Y159 D269 L271	I147-Q155 HydrophobicContact CD1-CB 4.28Å; T152-Q155 PolarHBondContact O-N 2.96Å; T152-Q155 PolarHBondContact OG1-N 2.9Å; Q155-Q157 PolarHBondContact O-N 2.88Å; Q155-K158 PolarHBondContact O-N 3.26Å; Q155-Y159 HydrophobicContact CB-CD2 4.26Å; Q155-Y159 HydrophobicContact CB-CE2 4.47Å; Q155-Y159 WeakPolarHBondContact O-CB 3.38Å; Q155-Y159 WeakPolarHBondContact O-CD2 3.23Å; Q155-Y159 PolarHBondContact O-N 3.39Å; Q155-D269 PolarHBondContact NE2-O 2.92Å; Q155-L271 PolarHBondContact NE2-O 3.05Å
156	K	97.7	Very high	95.8	Very high	46 Å²	46	41.9 Å²	41.9	20%	0.2	22%	0.216	C	C	.	.	H	α-helix	trans	-62.1	-44.6	177.7	-74.1	174	172	166	0	111.5	Y108 I147 L148 G151 T152 P153 E154 L160	Y108-K156 HydrophobicContact CE1-CB 4.11Å; Y108-K156 HydrophobicContact CE2-CB 3.84Å; Y108-K156 HydrophobicContact CE2-CD 4.44Å; Y108-K156 WeakPolarHBondContact OH-CB 3.47Å; I147-K156 HydrophobicContact CG2-CG 4.09Å; I147-K156 WeakPolarHBondContact O-CE 3.39Å; L148-K156 WeakPolarHBondContact O-CE 3.34Å; L148-K156 PolarHBondContact O-NZ 3.48Å; L148-K156 VanDerWaalsContact O-NZ 3.14Å; G151-K156 WeakPolarHBondContact O-CD 3.48Å; G151-K156 WeakPolarHBondContact O-CE 3.27Å; G151-K156 PolarHBondContact O-NZ 3.18Å; T152-K156 WeakPolarHBondContact O-CB 3.29Å; T152-K156 WeakPolarHBondContact O-CG 3.41Å; T152-K156 PolarHBondContact O-N 3.17Å; P153-K156 PolarHBondContact O-N 2.94Å; E154-K156 VanDerWaalsContact C-N 3.3Å; E154-K156 PolarHBondContact O-N 3.44Å; K156-L160 HydrophobicContact CB-CD1 3.85Å; K156-L160 HydrophobicContact CB-CG 4.39Å; K156-L160 HydrophobicContact CG-CD1 3.88Å; K156-L160 VanDerWaalsContact O-CB 3.22Å; K156-L160 WeakPolarHBondContact O-CB 3.23Å; K156-L160 WeakPolarHBondContact O-CG 3.32Å; K156-L160 PolarHBondContact O-N 3.33Å
157	Q	97.5	Very high	95.7	Very high	114 Å²	114	48 Å²	48	53%	0.533	24%	0.243	S	C	.	.	H	α-helix	trans	-65.5	-37.7	177.3	-172.3	60.7	45.8	0	0	112.5	Y108 P153 E154 Q155 P161	Y108-Q157 HydrophobicContact CE1-CB 4.16Å; Y108-Q157 VanDerWaalsContact CE1-OE1 3.26Å; P153-Q157 WeakPolarHBondContact O-CB 3.41Å; P153-Q157 PolarHBondContact O-N 3.16Å; E154-Q157 PolarHBondContact O-N 2.94Å; Q155-Q157 PolarHBondContact O-N 2.88Å; Q157-P161 VanDerWaalsContact O-CD 3.29Å; Q157-P161 WeakPolarHBondContact O-CD 3.44Å; Q157-P161 WeakPolarHBondContact O-CG 3.43Å
158	K	95.5	Very high	95.4	Very high	94 Å²	94	49.6 Å²	49.6	41%	0.409	25%	0.25	S	S	.	.	H	α-helix	trans	-68.7	-48.3	179.1	-178	179.5	174.7	-167.5	0	112.1	E154 Q155 E234	E154-K158 WeakPolarHBondContact O-CB 3.44Å; E154-K158 PolarHBondContact O-N 3.17Å; Q155-K158 PolarHBondContact O-N 3.26Å; K158-E234 VanDerWaalsContact CE-OE1 3.28Å; K158-E234 WeakPolarHBondContact CE-OE1 3.48Å; K158-E234 IonicContact NZ-OE1 2.84Å; K158-E234 PolarHBondContact NZ-OE1 3.24Å
159	Y	95.5	Very high	95.2	Very high	3 Å²	3	49.6 Å²	49.6	1%	0.012	25%	0.25	C	C	.	.	H	α-helix	trans	-96.7	-45.6	-167.3	-65.4	-62.8	0	0	0	114	I147 Q155 P161 N162 L163 F208 F232 E234	I147-Y159 HydrophobicContact CD1-CD2 4.13Å; I147-Y159 HydrophobicContact CG1-CD2 4.48Å; Q155-Y159 HydrophobicContact CB-CD2 4.26Å; Q155-Y159 HydrophobicContact CB-CE2 4.47Å; Q155-Y159 WeakPolarHBondContact O-CB 3.38Å; Q155-Y159 WeakPolarHBondContact O-CD2 3.23Å; Q155-Y159 PolarHBondContact O-N 3.39Å; Y159-P161 VanDerWaalsContact C-CD 3.48Å; Y159-N162 PolarHBondContact O-N 2.94Å; Y159-L163 WeakPolarHBondContact O-CD1 3.47Å; Y159-L163 VanDerWaalsContact O-CG 3.27Å; Y159-L163 WeakPolarHBondContact O-CG 3.43Å; Y159-L163 PolarHBondContact O-N 2.98Å; Y159-F208 HydrophobicContact CD1-CD1 4.15Å; Y159-F208 AromaticContact CD1-CE1 3.78Å; Y159-F208 HydrophobicContact CD1-CE1 3.78Å; Y159-F208 HydrophobicContact CD1-CE2 4.49Å; Y159-F208 AromaticContact CD1-CZ 3.96Å; Y159-F208 HydrophobicContact CD1-CZ 3.96Å; Y159-F208 HydrophobicContact CE1-CD1 4.05Å; Y159-F208 AromaticContact CE1-CE1 3.66Å; Y159-F208 HydrophobicContact CE1-CE1 3.66Å; Y159-F208 HydrophobicContact CE1-CZ 4.25Å; Y159-F232 AromaticContact CD1-CD1 3.74Å; Y159-F232 HydrophobicContact CD1-CD1 3.74Å; Y159-F232 AromaticContact CD1-CE1 3.55Å; Y159-F232 HydrophobicContact CD1-CE1 3.55Å; Y159-F232 AromaticContact CD2-CD1 3.91Å; Y159-F232 HydrophobicContact CD2-CD1 3.91Å; Y159-F232 HydrophobicContact CD2-CE1 4.23Å; Y159-F232 AromaticContact CE1-CD1 3.76Å; Y159-F232 HydrophobicContact CE1-CD1 3.76Å; Y159-F232 AromaticContact CE1-CE1 3.99Å; Y159-F232 HydrophobicContact CE1-CE1 3.99Å; Y159-F232 AromaticContact CE2-CD1 3.94Å; Y159-F232 HydrophobicContact CE2-CD1 3.94Å; Y159-F232 AromaticContact CG-CD1 3.83Å; Y159-F232 HydrophobicContact CG-CD1 3.83Å; Y159-F232 AromaticContact CG-CE1 3.7Å; Y159-F232 HydrophobicContact CG-CE1 3.7Å; Y159-F232 AromaticContact CZ-CD1 3.87Å; Y159-E234 HydrophobicContact CE1-CG 4.15Å; Y159-E234 WeakPolarHBondContact CE1-OE1 3.3Å; Y159-E234 PolarHBondContact OH-OE1 3.39Å
160	L	97.1	Very high	95.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61.4	-35.7	-168	-64.6	-179.3	0	0	0	114.7	V104 Y108 F144 I147 L148 K156 N162 L163 A164	V104-L160 HydrophobicContact CG1-CB 3.91Å; V104-L160 HydrophobicContact CG1-CD1 4.33Å; V104-L160 HydrophobicContact CG2-CD2 4.34Å; Y108-L160 HydrophobicContact CD2-CB 4.3Å; Y108-L160 HydrophobicContact CD2-CD1 3.55Å; Y108-L160 HydrophobicContact CE2-CD1 3.88Å; Y108-L160 HydrophobicContact CG-CB 4.04Å; Y108-L160 HydrophobicContact CG-CD1 4.14Å; F144-L160 HydrophobicContact CD2-CD2 4.25Å; I147-L160 HydrophobicContact CG2-CD2 3.98Å; I147-L160 HydrophobicContact CG2-CG 4.09Å; L148-L160 HydrophobicContact CD1-CD1 4.23Å; K156-L160 HydrophobicContact CB-CD1 3.85Å; K156-L160 HydrophobicContact CB-CG 4.39Å; K156-L160 HydrophobicContact CG-CD1 3.88Å; K156-L160 VanDerWaalsContact O-CB 3.22Å; K156-L160 WeakPolarHBondContact O-CB 3.23Å; K156-L160 WeakPolarHBondContact O-CG 3.32Å; K156-L160 PolarHBondContact O-N 3.33Å; L160-N162 PolarHBondContact O-N 3.04Å; L160-L163 HydrophobicContact CD2-CD1 4.36Å; L160-L163 PolarHBondContact O-N 3.28Å; L160-A164 VanDerWaalsContact O-CB 3.29Å; L160-A164 WeakPolarHBondContact O-CB 3.49Å; L160-A164 PolarHBondContact O-N 3.37Å
161	P	97	Very high	94.8	Very high	36 Å²	36	43 Å²	43	23%	0.234	22%	0.22	C	C	.	.	H	α-helix	trans	-59.5	-45.7	179.3	-27.3	36.7	0	0	0	114.8	Y108 Q157 Y159 L163 T165	Y108-P161 VanDerWaalsContact O-CA 3.27Å; Y108-P161 WeakPolarHBondContact O-CA 3.18Å; Q157-P161 VanDerWaalsContact O-CD 3.29Å; Q157-P161 WeakPolarHBondContact O-CD 3.44Å; Q157-P161 WeakPolarHBondContact O-CG 3.43Å; Y159-P161 VanDerWaalsContact C-CD 3.48Å; P161-L163 VanDerWaalsContact C-N 3.32Å; P161-T165 WeakPolarHBondContact O-CG2 3.38Å; P161-T165 PolarHBondContact O-N 3.34Å; P161-T165 PolarHBondContact O-OG1 2.8Å
162	N	94.9	Very high	94.6	Very high	54 Å²	54	43.9 Å²	43.9	29%	0.289	22%	0.223	S	C	.	.	H	α-helix	trans	-76.5	-24.1	180	-69.1	-38.2	0	0	0	112.6	Y159 L160 T165 K167 H168	Y159-N162 PolarHBondContact O-N 2.94Å; L160-N162 PolarHBondContact O-N 3.04Å; N162-T165 PolarHBondContact O-OG1 3.1Å; N162-K167 HydrophobicContact CB-CB 4.47Å; N162-K167 PolarHBondContact O-N 2.88Å; N162-K167 VanDerWaalsContact O-N 3.16Å; N162-H168 HydrophobicContact CB-CB 4.42Å; N162-H168 VanDerWaalsContact CB-CD2 3.43Å; N162-H168 WeakPolarHBondContact CB-CD2 3.47Å; N162-H168 PolarHBondContact O-N 3.43Å
163	L	95.1	Very high	94.1	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-73.5	-45.3	173.2	-67.1	165.1	0	0	0	110.8	H139 F144 Y159 L160 P161 T165 G166 H168 A170 F208 F232	H139-L163 PolarHBondContact NE2-O 3.45Å; H139-L163 VanDerWaalsContact NE2-O 3.1Å; F144-L163 HydrophobicContact CB-CD1 3.63Å; F144-L163 HydrophobicContact CB-CD2 4.49Å; F144-L163 HydrophobicContact CD1-CB 4.12Å; F144-L163 HydrophobicContact CG-CD1 4.33Å; Y159-L163 WeakPolarHBondContact O-CD1 3.47Å; Y159-L163 VanDerWaalsContact O-CG 3.27Å; Y159-L163 WeakPolarHBondContact O-CG 3.43Å; Y159-L163 PolarHBondContact O-N 2.98Å; L160-L163 HydrophobicContact CD2-CD1 4.36Å; L160-L163 PolarHBondContact O-N 3.28Å; P161-L163 VanDerWaalsContact C-N 3.32Å; L163-T165 VanDerWaalsContact C-N 3.3Å; L163-T165 PolarHBondContact O-N 3.34Å; L163-G166 PolarHBondContact O-N 3.3Å; L163-H168 HydrophobicContact CD2-CB 4.49Å; L163-A170 HydrophobicContact CD2-CB 3.67Å; L163-F208 HydrophobicContact CD2-CD2 3.74Å; L163-F208 HydrophobicContact CD2-CE2 4.32Å; L163-F208 HydrophobicContact CG-CD2 4.35Å; L163-F232 HydrophobicContact CD1-CE1 4.4Å; L163-F232 HydrophobicContact CD1-CZ 4.01Å
164	A	95.8	Very high	93.6	Very high	2 Å²	2	38.1 Å²	38.1	2%	0.017	19%	0.185	C	C	.	.	H	α-helix	trans	-60.9	-37.2	-179	0	0	0	0	0	113.4	G101 V104 L160 G166	G101-A164 PolarHBondContact N-O 3.44Å; G101-A164 VanDerWaalsContact N-O 3.16Å; V104-A164 HydrophobicContact CB-CB 4.08Å; V104-A164 HydrophobicContact CG1-CB 3.95Å; V104-A164 HydrophobicContact CG2-CB 4.25Å; L160-A164 VanDerWaalsContact O-CB 3.29Å; L160-A164 WeakPolarHBondContact O-CB 3.49Å; L160-A164 PolarHBondContact O-N 3.37Å; A164-G166 VanDerWaalsContact C-N 3.27Å; A164-G166 PolarHBondContact O-N 3.06Å
165	T	94.1	Very high	92.9	Very high	67 Å²	67	34 Å²	34	41%	0.411	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-10.2	177.1	54.4	0	0	0	0	113.5	P161 N162 L163 K167	P161-T165 WeakPolarHBondContact O-CG2 3.38Å; P161-T165 PolarHBondContact O-N 3.34Å; P161-T165 PolarHBondContact O-OG1 2.8Å; N162-T165 PolarHBondContact O-OG1 3.1Å; L163-T165 VanDerWaalsContact C-N 3.3Å; L163-T165 PolarHBondContact O-N 3.34Å; T165-K167 PolarHBondContact O-N 3.16Å; T165-K167 PolarHBondContact OG1-N 2.59Å
166	G	92	Very high	92.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	67	13.2	-170.8	0	0	0	0	0	113.8	K95 L163 A164 H168	K95-G166 WeakPolarHBondContact CE-O 3.21Å; K95-G166 PolarHBondContact NZ-O 2.96Å; K95-G166 VanDerWaalsContact NZ-O 3.12Å; L163-G166 PolarHBondContact O-N 3.3Å; A164-G166 VanDerWaalsContact C-N 3.27Å; A164-G166 PolarHBondContact O-N 3.06Å; G166-H168 PolarHBondContact O-N 3.23Å
167	K	91.2	Very high	91.2	Very high	129 Å²	129	35.5 Å²	35.5	56%	0.561	18%	0.184	S	C	*	.	S	Bend	trans	-59.5	-42.4	170	179.8	-179.9	177.3	-177.8	0	110	N162 T165	N162-K167 HydrophobicContact CB-CB 4.47Å; N162-K167 PolarHBondContact O-N 2.88Å; N162-K167 VanDerWaalsContact O-N 3.16Å; T165-K167 PolarHBondContact O-N 3.16Å; T165-K167 PolarHBondContact OG1-N 2.59Å
168	H	91.1	Very high	90.2	Very high	33 Å²	33	34.6 Å²	34.6	15%	0.153	19%	0.19	C	C	.	.	S	Bend	trans	-117.5	137.3	170.4	-64	-41.6	0	0	0	109.7	H139 N162 L163 G166 H207 F208	H139-H168 PolarHBondContact CE1-O 2.91Å; N162-H168 HydrophobicContact CB-CB 4.42Å; N162-H168 VanDerWaalsContact CB-CD2 3.43Å; N162-H168 WeakPolarHBondContact CB-CD2 3.47Å; N162-H168 PolarHBondContact O-N 3.43Å; L163-H168 HydrophobicContact CD2-CB 4.49Å; G166-H168 PolarHBondContact O-N 3.23Å; H168-H207 HydrophobicContact CB-CB 4.03Å; H168-H207 AromaticContact CE1-CD2 3.4Å; H168-H207 PolarHBondContact CE1-CD2 3.38Å; H168-H207 VanDerWaalsContact CE1-CD2 3.4Å; H168-H207 AromaticContact CE1-CG 3.84Å; H168-H207 AromaticContact CE1-NE2 3.7Å; H168-H207 AromaticContact CG-CG 3.83Å; H168-H207 AromaticContact ND1-CD2 3.11Å; H168-H207 PolarHBondContact ND1-CD2 3.28Å; H168-H207 AromaticContact ND1-CE1 3.53Å; H168-H207 AromaticContact ND1-CG 3.1Å; H168-H207 AromaticContact ND1-ND1 3.37Å; H168-H207 PolarHBondContact ND1-ND1 3.43Å; H168-H207 AromaticContact ND1-NE2 3.36Å; H168-H207 PolarHBondContact ND1-NE2 2.96Å; H168-F208 HydrophobicContact CB-CD2 3.67Å; H168-F208 HydrophobicContact CB-CE2 3.34Å; H168-F208 HydrophobicContact CB-CZ 4.43Å; H168-F208 AromaticContact CD2-CE2 3.4Å; H168-F208 WeakPolarHBondContact CD2-CE2 3.32Å; H168-F208 AromaticContact CD2-CZ 3.73Å; H168-F208 AromaticContact CG-CE2 3.52Å
169	I	90.8	Very high	89.4	Confident	28 Å²	28	30.2 Å²	30.2	14%	0.144	17%	0.171	C	C	.	.			trans	-106	144.4	173.9	-47.2	-59.5	0	0	0	107.7	F100 H139 L206 H207	F100-I169 HydrophobicContact CD1-CD1 3.51Å; F100-I169 HydrophobicContact CE1-CD1 3.42Å; F100-I169 VanDerWaalsContact CE1-CD1 3.42Å; F100-I169 HydrophobicContact CG-CD1 4.21Å; F100-I169 HydrophobicContact CZ-CD1 4.06Å; H139-I169 HydrophobicContact CB-CG2 4.02Å; I169-L206 HydrophobicContact CB-CD2 3.27Å; I169-L206 HydrophobicContact CG1-CD2 4.46Å; I169-L206 HydrophobicContact CG2-CD2 3.19Å; I169-H207 PolarHBondContact O-N 2.89Å
170	A	92.6	Very high	88.8	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.008	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	142.6	-174	0	0	0	0	0	111	H139 F144 L163 F208 F232	H139-A170 PolarHBondContact ND1-N 2.95Å; F144-A170 HydrophobicContact CB-CB 4.22Å; L163-A170 HydrophobicContact CD2-CB 3.67Å; A170-F208 CarbonylContact C-O 3.55Å; A170-F208 WeakPolarHBondContact CA-O 3.42Å; A170-F208 HydrophobicContact CB-CB 4.5Å; A170-F232 HydrophobicContact CB-CZ 4.36Å
171	A	90.5	Very high	88.2	Confident	1 Å²	1	35.4 Å²	35.4	1%	0.008	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	156.8	179.9	0	0	0	0	0	110.6	C202 L206 F208 Y209 Q210	A171-C202 HydrophobicContact CB-CB 3.98Å; A171-L206 HydrophobicContact CB-CB 4.27Å; A171-L206 HydrophobicContact CB-CD1 3.15Å; A171-L206 HydrophobicContact CB-CG 4.3Å; A171-F208 PolarHBondContact N-O 2.52Å; A171-Y209 HydrophobicContact CB-CD1 3.45Å; A171-Y209 VanDerWaalsContact CB-CD1 3.45Å; A171-Y209 HydrophobicContact CB-CE1 3.91Å; A171-Y209 HydrophobicContact CB-CG 4.25Å; A171-Q210 PolarHBondContact O-N 2.98Å
172	F	90.8	Very high	87.6	Confident	25 Å²	25	38.2 Å²	38.2	11%	0.11	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	122.2	161.2	-172.6	-128.6	0	0	0	109.7	I142 L174 Q210 A282 L286	I142-F172 HydrophobicContact CB-CB 3.91Å; I142-F172 HydrophobicContact CB-CD1 3.94Å; I142-F172 HydrophobicContact CB-CG 3.96Å; I142-F172 HydrophobicContact CD1-CB 3.83Å; I142-F172 HydrophobicContact CD1-CD1 4Å; I142-F172 HydrophobicContact CD1-CG 4.32Å; I142-F172 HydrophobicContact CG1-CB 3.69Å; I142-F172 HydrophobicContact CG1-CD1 4.3Å; I142-F172 HydrophobicContact CG1-CG 4.25Å; F172-L174 HydrophobicContact CD1-CB 4.16Å; F172-L174 HydrophobicContact CE1-CB 3.6Å; F172-L174 HydrophobicContact CE1-CD2 3.63Å; F172-L174 HydrophobicContact CE1-CG 4.16Å; F172-L174 HydrophobicContact CE2-CB 4.37Å; F172-L174 HydrophobicContact CZ-CB 3.73Å; F172-L174 HydrophobicContact CZ-CD1 4.17Å; F172-L174 HydrophobicContact CZ-CD2 3.74Å; F172-L174 HydrophobicContact CZ-CG 4.08Å; F172-Q210 HydrophobicContact CD2-CB 4.14Å; F172-Q210 HydrophobicContact CD2-CG 4.11Å; F172-Q210 WeakPolarHBondContact CD2-O 3.39Å; F172-Q210 HydrophobicContact CE2-CG 4.32Å; F172-A282 HydrophobicContact CZ-CB 4.23Å; F172-L286 HydrophobicContact CE1-CD2 4.16Å; F172-L286 HydrophobicContact CE1-CG 4.49Å
173	C	88	Confident	86.9	Confident	1 Å²	1	36 Å²	36	1%	0.007	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	96.1	-177.6	-61	0	0	0	0	108.4	C202 Q210 T211	C173-C202 WeakPolarHBondContact CA-SG 3.31Å; C173-C202 HydrophobicContact CB-CB 4.47Å; C173-C202 WeakPolarHBondContact CB-SG 3.47Å; C173-C202 WeakPolarHBondContact SG-CB 3.43Å; C173-C202 CovalentContact SG-SG 2.04Å; C173-C202 PolarHBondContact SG-SG 2.96Å; C173-Q210 PolarHBondContact N-O 3Å; C173-T211 WeakPolarHBondContact O-CA 3.31Å; C173-T211 PolarHBondContact O-OG1 2.98Å
174	L	86.3	Confident	86.2	Confident	24 Å²	24	37.3 Å²	37.3	13%	0.126	23%	0.23	C	C	.	.			trans	-120.9	-31.3	-176.8	-175.4	65.6	0	0	0	112.9	F172 A183 C212 A282 L286	F172-L174 HydrophobicContact CD1-CB 4.16Å; F172-L174 HydrophobicContact CE1-CB 3.6Å; F172-L174 HydrophobicContact CE1-CD2 3.63Å; F172-L174 HydrophobicContact CE1-CG 4.16Å; F172-L174 HydrophobicContact CE2-CB 4.37Å; F172-L174 HydrophobicContact CZ-CB 3.73Å; F172-L174 HydrophobicContact CZ-CD1 4.17Å; F172-L174 HydrophobicContact CZ-CD2 3.74Å; F172-L174 HydrophobicContact CZ-CG 4.08Å; L174-A183 HydrophobicContact CD1-CB 4.06Å; L174-A183 HydrophobicContact CD2-CB 3.81Å; L174-A183 HydrophobicContact CG-CB 3.79Å; L174-C212 HydrophobicContact CD1-CB 4.04Å; L174-A282 HydrophobicContact CD1-CB 4.18Å; L174-L286 HydrophobicContact CD2-CD1 4.16Å
175	T	81.6	Confident	85.4	Confident	46 Å²	46	40.3 Å²	40.3	28%	0.282	25%	0.251	S	S	.	.			trans	-94.6	134.8	-172.6	56	0	0	0	0	111.7	S179 G200 H201	T175-S179 CarbonylContact C-O 3.52Å; T175-S179 VanDerWaalsContact CA-O 3.27Å; T175-S179 WeakPolarHBondContact CA-O 3.36Å; T175-G200 WeakPolarHBondContact O-CA 3.41Å; T175-H201 PolarHBondContact O-N 3.09Å
176	E	82.3	Confident	84.6	Confident	8 Å²	8	37.3 Å²	37.3	4%	0.037	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-111.2	165	171.1	-59.9	178.4	-179.4	0	0	109.9	S178 S179 S187 A188	E176-S178 PolarHBondContact O-N 3.39Å; E176-S178 VanDerWaalsContact O-N 3.1Å; E176-S179 PolarHBondContact N-O 3.33Å; E176-S179 CarbonylContact O-C 3.44Å; E176-S179 PolarHBondContact O-N 2.75Å; E176-S187 PolarHBondContact OE1-N 2.62Å; E176-S187 WeakPolarHBondContact OE2-CB 3.45Å; E176-S187 PolarHBondContact OE2-N 2.65Å; E176-S187 PolarHBondContact OE2-OG 2.85Å; E176-A188 WeakPolarHBondContact OE1-CB 3.5Å; E176-A188 PolarHBondContact OE1-N 3.07Å
177	P	75.5	Confident	83.7	Confident	80 Å²	80	39.8 Å²	39.8	52%	0.519	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-32.1	175.8	-28.2	35.5	0	0	0	114.4	R199	P177-R199 HydrophobicContact CG-CB 4.04Å; P177-R199 HydrophobicContact CG-CG 4.41Å
178	S	77	Confident	82.6	Confident	95 Å²	95	33.8 Å²	33.8	66%	0.664	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-8.2	177.8	52.7	0	0	0	0	114.3	E176	E176-S178 PolarHBondContact O-N 3.39Å; E176-S178 VanDerWaalsContact O-N 3.1Å
179	S	77.4	Confident	81.5	Confident	2 Å²	2	36.3 Å²	36.3	1%	0.014	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-140.8	103.7	-170.2	174.2	0	0	0	0	110.7	T175 E176 D182 A183	T175-S179 CarbonylContact C-O 3.52Å; T175-S179 VanDerWaalsContact CA-O 3.27Å; T175-S179 WeakPolarHBondContact CA-O 3.36Å; E176-S179 PolarHBondContact N-O 3.33Å; E176-S179 CarbonylContact O-C 3.44Å; E176-S179 PolarHBondContact O-N 2.75Å; S179-D182 PolarHBondContact OG-O 3.13Å; S179-A183 WeakPolarHBondContact OG-CA 3.36Å
180	G	83.2	Confident	79.9	Confident	42 Å²	42	35.9 Å²	35.9	43%	0.433	23%	0.234	S	C	.	.	S	Bend	trans	-116.2	-84.8	176.6	0	0	0	0	0	111.6	D182	G180-D182 VanDerWaalsContact C-N 3.28Å; G180-D182 PolarHBondContact O-N 3.49Å
181	S	84.7	Confident	78	Confident	70 Å²	70	44.3 Å²	44.3	49%	0.49	27%	0.266	S	S	.	.	S	Bend	trans	-65	-33.9	176.3	-68.4	0	0	0	0	112.5	A183	S181-A183 VanDerWaalsContact C-N 3.33Å; S181-A183 PolarHBondContact O-N 3.09Å
182	D	85.1	Confident	76	Confident	94 Å²	94	55.8 Å²	55.8	50%	0.503	31%	0.309	S	S	.	.			trans	-93	64.2	172.8	-175.4	15.5	0	0	0	110.8	S179 G180 G184 S185	S179-D182 PolarHBondContact OG-O 3.13Å; G180-D182 VanDerWaalsContact C-N 3.28Å; G180-D182 PolarHBondContact O-N 3.49Å; D182-G184 PolarHBondContact O-N 3.43Å; D182-G184 VanDerWaalsContact O-N 3.13Å; D182-S185 PolarHBondContact O-N 3.38Å; D182-S185 VanDerWaalsContact O-N 3.08Å; D182-S185 PolarHBondContact OD1-OG 3.44Å; D182-S185 WeakPolarHBondContact OD2-CB 3.35Å; D182-S185 PolarHBondContact OD2-OG 2.92Å
183	A	79.6	Confident	73.9	Confident	7 Å²	7	61 Å²	61	6%	0.058	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-63	-13.6	179.3	0	0	0	0	0	113.5	L174 S179 S181 S185 F279	L174-A183 HydrophobicContact CD1-CB 4.06Å; L174-A183 HydrophobicContact CD2-CB 3.81Å; L174-A183 HydrophobicContact CG-CB 3.79Å; S179-A183 WeakPolarHBondContact OG-CA 3.36Å; S181-A183 VanDerWaalsContact C-N 3.33Å; S181-A183 PolarHBondContact O-N 3.09Å; A183-S185 VanDerWaalsContact C-N 3.29Å; A183-F279 HydrophobicContact CB-CE2 4.35Å
184	G	80.8	Confident	71.6	Confident	28 Å²	28	63.6 Å²	63.6	29%	0.289	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-76.5	-18.2	175	0	0	0	0	0	113.2	D182 C186 I228	D182-G184 PolarHBondContact O-N 3.43Å; D182-G184 VanDerWaalsContact O-N 3.13Å; G184-C186 VanDerWaalsContact C-N 3.28Å; G184-C186 PolarHBondContact O-N 2.96Å; G184-I228 WeakPolarHBondContact O-CD1 3.31Å
185	S	79.6	Confident	69.7	Low	66 Å²	66	62.6 Å²	62.6	46%	0.462	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-93	27.2	175.5	-64.4	0	0	0	0	112.7	D182 A183	D182-S185 PolarHBondContact O-N 3.38Å; D182-S185 VanDerWaalsContact O-N 3.08Å; D182-S185 PolarHBondContact OD1-OG 3.44Å; D182-S185 WeakPolarHBondContact OD2-CB 3.35Å; D182-S185 PolarHBondContact OD2-OG 2.92Å; A183-S185 VanDerWaalsContact C-N 3.29Å
186	C	76.4	Confident	67.8	Low	3 Å²	3	63.1 Å²	63.1	2%	0.02	34%	0.34	C	S	.	.			trans	-60.7	142.3	174.4	70.3	0	0	0	0	110.4	G184 Q214	G184-C186 VanDerWaalsContact C-N 3.28Å; G184-C186 PolarHBondContact O-N 2.96Å; C186-Q214 VanDerWaalsContact O-CD 3.25Å; C186-Q214 WeakPolarHBondContact O-CG 3.2Å; C186-Q214 PolarHBondContact O-NE2 2.64Å
187	S	72.6	Confident	66.2	Low	53 Å²	53	63.8 Å²	63.8	37%	0.371	34%	0.343	S	S	.	.			trans	-108.2	-14.9	-174.7	67.7	0	0	0	0	113	E176	E176-S187 PolarHBondContact OE1-N 2.62Å; E176-S187 WeakPolarHBondContact OE2-CB 3.45Å; E176-S187 PolarHBondContact OE2-N 2.65Å; E176-S187 PolarHBondContact OE2-OG 2.85Å
188	A	68	Low	64.6	Low	2 Å²	2	68 Å²	68	2%	0.017	35%	0.353	C	S	.	.			trans	-62.9	137.1	174	0	0	0	0	0	110.4	E176 F197 L213 Q214	E176-A188 WeakPolarHBondContact OE1-CB 3.5Å; E176-A188 PolarHBondContact OE1-N 3.07Å; A188-F197 HydrophobicContact CB-CB 4.41Å; A188-F197 HydrophobicContact CB-CD1 3.47Å; A188-F197 VanDerWaalsContact CB-CD1 3.47Å; A188-F197 HydrophobicContact CB-CD2 3.86Å; A188-F197 HydrophobicContact CB-CE1 3.45Å; A188-F197 VanDerWaalsContact CB-CE1 3.45Å; A188-F197 HydrophobicContact CB-CE2 3.88Å; A188-F197 HydrophobicContact CB-CG 3.64Å; A188-F197 HydrophobicContact CB-CZ 3.64Å; A188-L213 HydrophobicContact CB-CD2 3.62Å; A188-Q214 WeakPolarHBondContact O-CB 3.46Å; A188-Q214 PolarHBondContact O-N 3.32Å
189	F	68.9	Low	62.8	Low	87 Å²	87	69.6 Å²	69.6	38%	0.382	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	161	-169.3	65.4	-89.2	0	0	0	112.7	H196 Q214	F189-H196 HydrophobicContact CD1-CB 4.24Å; F189-H196 HydrophobicContact CD2-CB 4.24Å; F189-H196 HydrophobicContact CE1-CB 3.74Å; F189-H196 HydrophobicContact CE2-CB 3.74Å; F189-H196 AromaticContact CE2-CG 3.71Å; F189-H196 AromaticContact CE2-ND1 3.54Å; F189-H196 HydrophobicContact CG-CB 4.47Å; F189-H196 HydrophobicContact CZ-CB 3.46Å; F189-H196 VanDerWaalsContact CZ-CB 3.46Å; F189-H196 AromaticContact CZ-CG 3.64Å; F189-H196 AromaticContact CZ-ND1 3.95Å; F189-H196 PolarHBondContact N-O 2.54Å; F189-H196 VanDerWaalsContact N-O 3.12Å; F189-H196 PolarHBondContact O-N 2.83Å; F189-Q214 CarbonylContact C-O 3.3Å; F189-Q214 VanDerWaalsContact CA-O 3.27Å; F189-Q214 WeakPolarHBondContact CA-O 3.39Å; F189-Q214 HydrophobicContact CB-CB 4.01Å
190	T	56.4	Low	61.1	Low	18 Å²	18	69.6 Å²	69.6	11%	0.11	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	141.3	174.2	70	0	0	0	0	110.1	I194 L195 L213 Q214 T215 F231	T190-I194 CarbonylContact C-O 3.57Å; T190-I194 WeakPolarHBondContact CA-O 3.23Å; T190-L195 HydrophobicContact CG2-CD2 3.31Å; T190-L213 HydrophobicContact CG2-CB 3.76Å; T190-L213 HydrophobicContact CG2-CD1 4.02Å; T190-L213 HydrophobicContact CG2-CD2 4.45Å; T190-L213 HydrophobicContact CG2-CG 4.31Å; T190-Q214 WeakPolarHBondContact CG2-O 3.38Å; T190-Q214 PolarHBondContact N-O 3.4Å; T190-Q214 PolarHBondContact OG1-O 2.84Å; T190-T215 WeakPolarHBondContact OG1-CA 3.24Å; T190-F231 HydrophobicContact CG2-CE2 3.88Å; T190-F231 HydrophobicContact CG2-CZ 4.1Å
191	R	54	Low	58.9	Low	179 Å²	179	70.8 Å²	70.8	68%	0.675	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.6	106.5	172.1	-168.8	177.3	-174.6	-173.6	1.7	110.3	E193 I194	R191-E193 PolarHBondContact O-N 2.85Å; R191-I194 PolarHBondContact N-O 2.97Å; R191-I194 PolarHBondContact O-N 3.5Å
192	R	48.9	Very low	57.1	Low	242 Å²	242	67.7 Å²	67.7	91%	0.913	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	-10.4	174.6	-78.9	-173.4	-176.7	165.4	1	118.5
193	E	46.4	Very low	55.1	Low	133 Å²	133	64.3 Å²	64.3	62%	0.621	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	161.3	-5.9	176.6	-96.2	157.9	-150.7	0	0	111.3	R191 K265 V266	R191-E193 PolarHBondContact O-N 2.85Å; E193-K265 WeakPolarHBondContact O-CA 2.95Å; E193-V266 PolarHBondContact O-N 2.97Å; E193-V266 VanDerWaalsContact O-N 3.12Å
194	I	38.9	Very low	52.9	Low	56 Å²	56	64.6 Å²	64.6	29%	0.287	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	126	-175.7	-56.6	176	0	0	0	110.2	T190 R191 N263	T190-I194 CarbonylContact C-O 3.57Å; T190-I194 WeakPolarHBondContact CA-O 3.23Å; R191-I194 PolarHBondContact N-O 2.97Å; R191-I194 PolarHBondContact O-N 3.5Å; I194-N263 HydrophobicContact CG2-CB 4Å; I194-N263 WeakPolarHBondContact CG2-OD1 3.42Å
195	L	47.3	Very low	51.4	Low	4 Å²	4	70.7 Å²	70.7	2%	0.021	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	132.3	170.4	-58.8	-172.4	0	0	0	111.2	T190 L213 V233 N263 V264 V266	T190-L195 HydrophobicContact CG2-CD2 3.31Å; L195-L213 HydrophobicContact CD1-CD1 3.63Å; L195-L213 HydrophobicContact CD2-CD1 3.24Å; L195-L213 HydrophobicContact CD2-CD2 4.34Å; L195-L213 HydrophobicContact CD2-CG 4.33Å; L195-L213 HydrophobicContact CG-CD1 3.99Å; L195-V233 HydrophobicContact CD1-CG2 3.79Å; L195-N263 WeakPolarHBondContact O-CA 3.48Å; L195-N263 PolarHBondContact O-N 3Å; L195-V264 HydrophobicContact CB-CB 4.29Å; L195-V264 PolarHBondContact N-O 3.15Å; L195-V264 PolarHBondContact O-N 3.31Å; L195-V266 HydrophobicContact CD1-CB 4.28Å; L195-V266 HydrophobicContact CD1-CG2 3.33Å; L195-V266 HydrophobicContact CG-CB 4.3Å; L195-V266 HydrophobicContact CG-CG2 3.66Å
196	H	41.2	Very low	50.5	Low	57 Å²	57	67.8 Å²	67.8	26%	0.264	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	106.7	166.5	-67.4	82.8	0	0	0	108.6	F189 N263	F189-H196 HydrophobicContact CD1-CB 4.24Å; F189-H196 HydrophobicContact CD2-CB 4.24Å; F189-H196 HydrophobicContact CE1-CB 3.74Å; F189-H196 HydrophobicContact CE2-CB 3.74Å; F189-H196 AromaticContact CE2-CG 3.71Å; F189-H196 AromaticContact CE2-ND1 3.54Å; F189-H196 HydrophobicContact CG-CB 4.47Å; F189-H196 HydrophobicContact CZ-CB 3.46Å; F189-H196 VanDerWaalsContact CZ-CB 3.46Å; F189-H196 AromaticContact CZ-CG 3.64Å; F189-H196 AromaticContact CZ-ND1 3.95Å; F189-H196 PolarHBondContact N-O 2.54Å; F189-H196 VanDerWaalsContact N-O 3.12Å; F189-H196 PolarHBondContact O-N 2.83Å; H196-N263 PolarHBondContact NE2-OD1 2.75Å; H196-N263 VanDerWaalsContact NE2-OD1 3.1Å
197	F	47.4	Very low	50.1	Low	22 Å²	22	71.7 Å²	71.7	10%	0.096	32%	0.322	C	S	.	.			trans	-103.9	137	170.5	-106.6	-89.9	0	0	0	111.4	A188 T211 L213 F261	A188-F197 HydrophobicContact CB-CB 4.41Å; A188-F197 HydrophobicContact CB-CD1 3.47Å; A188-F197 VanDerWaalsContact CB-CD1 3.47Å; A188-F197 HydrophobicContact CB-CD2 3.86Å; A188-F197 HydrophobicContact CB-CE1 3.45Å; A188-F197 VanDerWaalsContact CB-CE1 3.45Å; A188-F197 HydrophobicContact CB-CE2 3.88Å; A188-F197 HydrophobicContact CB-CG 3.64Å; A188-F197 HydrophobicContact CB-CZ 3.64Å; F197-T211 HydrophobicContact CE2-CG2 4.23Å; F197-T211 VanDerWaalsContact CE2-OG1 3.26Å; F197-T211 WeakPolarHBondContact CE2-OG1 3.37Å; F197-T211 WeakPolarHBondContact CZ-OG1 3.28Å; F197-L213 HydrophobicContact CD2-CD2 3.58Å; F197-L213 HydrophobicContact CD2-CG 4.34Å; F197-L213 HydrophobicContact CE2-CD1 3.95Å; F197-L213 HydrophobicContact CE2-CD2 3.17Å; F197-L213 HydrophobicContact CE2-CG 3.51Å; F197-L213 HydrophobicContact CZ-CD2 3.88Å; F197-L213 HydrophobicContact CZ-CG 4.11Å; F197-F261 HydrophobicContact CB-CB 3.79Å; F197-F261 HydrophobicContact CB-CD2 3.71Å; F197-F261 HydrophobicContact CB-CG 4.21Å; F197-F261 HydrophobicContact CD1-CD2 4.08Å; F197-F261 HydrophobicContact CD2-CB 3.94Å; F197-F261 AromaticContact CD2-CD2 3.33Å; F197-F261 HydrophobicContact CD2-CD2 3.33Å; F197-F261 HydrophobicContact CD2-CE2 4.04Å; F197-F261 AromaticContact CD2-CG 3.82Å; F197-F261 HydrophobicContact CD2-CG 3.82Å; F197-F261 AromaticContact CE2-CD2 3.93Å; F197-F261 HydrophobicContact CE2-CD2 3.93Å; F197-F261 HydrophobicContact CE2-CE2 4.19Å; F197-F261 HydrophobicContact CG-CB 4.2Å; F197-F261 AromaticContact CG-CD2 3.43Å; F197-F261 HydrophobicContact CG-CD2 3.43Å; F197-F261 VanDerWaalsContact CG-CD2 3.43Å; F197-F261 HydrophobicContact CG-CE2 4.21Å; F197-F261 HydrophobicContact CG-CG 4.18Å; F197-F261 PolarHBondContact N-O 3.18Å
198	K	42.3	Very low	50.4	Low	167 Å²	167	69.7 Å²	69.7	73%	0.726	31%	0.307	S	S	*	.	S	Bend	trans	-104.8	78.6	157.9	-75	-178.2	176.9	177.5	0	108.7
199	R	40.2	Very low	51.1	Low	130 Å²	130	69.7 Å²	69.7	49%	0.491	31%	0.307	S	S	.	.			trans	71.1	133.8	167.6	-38.6	-172.2	-175.2	158.9	0.2	115.8	P177 Y260	P177-R199 HydrophobicContact CG-CB 4.04Å; P177-R199 HydrophobicContact CG-CG 4.41Å; R199-Y260 HydrophobicContact CB-CD1 4.31Å; R199-Y260 HydrophobicContact CB-CE1 4.2Å; R199-Y260 HydrophobicContact CG-CD1 3.92Å; R199-Y260 HydrophobicContact CG-CE1 3.72Å
200	G	40.8	Very low	51.9	Low	1 Å²	1	65.6 Å²	65.6	1%	0.01	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	148.1	165.5	0	0	0	0	0	112.3	T175 E258 V259	T175-G200 WeakPolarHBondContact O-CA 3.41Å; G200-E258 CarbonylContact O-C 3.59Å; G200-E258 VanDerWaalsContact O-CA 3.24Å; G200-E258 WeakPolarHBondContact O-CA 3.3Å; G200-V259 PolarHBondContact N-O 3.39Å; G200-V259 PolarHBondContact O-N 3.26Å
201	H	38.5	Very low	53.2	Low	67 Å²	67	64.8 Å²	64.8	31%	0.31	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	125.9	176.3	-58.4	90.1	0	0	0	110.9	T175 T257 E258	T175-H201 PolarHBondContact O-N 3.09Å; H201-T257 CarbonylContact C-O 3.59Å; H201-T257 WeakPolarHBondContact CA-O 3.12Å; H201-E258 IonicContact NE2-OE1 2.79Å
202	C	46.6	Very low	54.5	Low	5 Å²	5	56.6 Å²	56.6	3%	0.034	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	161.5	-178	-29.4	0	0	0	0	110.7	A171 C173 T256 T257 V259	A171-C202 HydrophobicContact CB-CB 3.98Å; C173-C202 WeakPolarHBondContact CA-SG 3.31Å; C173-C202 HydrophobicContact CB-CB 4.47Å; C173-C202 WeakPolarHBondContact CB-SG 3.47Å; C173-C202 WeakPolarHBondContact SG-CB 3.43Å; C173-C202 CovalentContact SG-SG 2.04Å; C173-C202 PolarHBondContact SG-SG 2.96Å; C202-T256 CarbonylContact O-C 3.52Å; C202-T256 WeakPolarHBondContact O-CA 3.31Å; C202-T257 PolarHBondContact N-O 3.04Å; C202-T257 WeakPolarHBondContact O-CG2 3.3Å; C202-T257 PolarHBondContact O-N 3.39Å; C202-V259 HydrophobicContact CB-CG2 3.75Å; C202-V259 VanDerWaalsContact SG-CG2 3.51Å
203	V	41.6	Very low	55.9	Low	23 Å²	23	45 Å²	45	14%	0.139	21%	0.21	C	C	.	.			trans	-65.1	136.1	171.5	176.9	0	0	0	0	108.7	A138 L206 N255	A138-V203 HydrophobicContact CB-CG2 3.81Å; V203-L206 HydrophobicContact CB-CD1 4.09Å; V203-L206 HydrophobicContact CG1-CD1 4.5Å; V203-L206 WeakPolarHBondContact O-CD1 3.34Å; V203-L206 VanDerWaalsContact O-CG 3.23Å; V203-L206 WeakPolarHBondContact O-CG 3.38Å; V203-N255 WeakPolarHBondContact CA-O 3.49Å; V203-N255 VanDerWaalsContact CB-O 3.3Å; V203-N255 WeakPolarHBondContact CB-O 3Å; V203-N255 HydrophobicContact CG1-CB 4.08Å; V203-N255 WeakPolarHBondContact CG1-O 3.49Å; V203-N255 VanDerWaalsContact CG2-O 3.3Å; V203-N255 WeakPolarHBondContact CG2-O 3.41Å
204	A	34.5	Very low	57.4	Low	14 Å²	14	41.6 Å²	41.6	12%	0.116	19%	0.194	C	C	.	.	S	Bend	trans	-93.5	169.2	178.2	0	0	0	0	0	114.1	N255 T257	A204-N255 WeakPolarHBondContact CA-ND2 3.49Å; A204-N255 HydrophobicContact CB-CB 4.31Å; A204-N255 WeakPolarHBondContact CB-ND2 3.19Å; A204-N255 WeakPolarHBondContact CB-OD1 3.33Å; A204-N255 WeakPolarHBondContact O-CB 3.26Å; A204-N255 PolarHBondContact O-ND2 3.34Å; A204-T257 HydrophobicContact CB-CG2 3.21Å
205	M	48.5	Very low	59.3	Low	155 Å²	155	39.3 Å²	39.3	76%	0.764	18%	0.183	S	C	*	.	S	Bend	trans	84.9	31.7	-167	-59.8	-79.3	-98.1	0	0	115.5
206	L	60.4	Low	60.8	Low	6 Å²	6	41.6 Å²	41.6	3%	0.031	20%	0.198	C	C	.	.			trans	-114.7	143.8	-164.6	-52.2	-171.4	0	0	0	113.3	I169 A171 V203 Y209 R235	I169-L206 HydrophobicContact CB-CD2 3.27Å; I169-L206 HydrophobicContact CG1-CD2 4.46Å; I169-L206 HydrophobicContact CG2-CD2 3.19Å; A171-L206 HydrophobicContact CB-CB 4.27Å; A171-L206 HydrophobicContact CB-CD1 3.15Å; A171-L206 HydrophobicContact CB-CG 4.3Å; V203-L206 HydrophobicContact CB-CD1 4.09Å; V203-L206 HydrophobicContact CG1-CD1 4.5Å; V203-L206 WeakPolarHBondContact O-CD1 3.34Å; V203-L206 VanDerWaalsContact O-CG 3.23Å; V203-L206 WeakPolarHBondContact O-CG 3.38Å; L206-Y209 HydrophobicContact CB-CE1 4.17Å; L206-Y209 PolarHBondContact O-OH 2.98Å; L206-R235 PolarHBondContact O-NE 3.41Å
207	H	68.1	Low	62.7	Low	84 Å²	84	39.6 Å²	39.6	39%	0.389	19%	0.189	S	C	.	.	S	Bend	trans	-96.9	-25.2	180	-63.4	74.7	0	0	0	111.5	H168 I169 E234 R235	H168-H207 HydrophobicContact CB-CB 4.03Å; H168-H207 AromaticContact CE1-CD2 3.4Å; H168-H207 PolarHBondContact CE1-CD2 3.38Å; H168-H207 VanDerWaalsContact CE1-CD2 3.4Å; H168-H207 AromaticContact CE1-CG 3.84Å; H168-H207 AromaticContact CE1-NE2 3.7Å; H168-H207 AromaticContact CG-CG 3.83Å; H168-H207 AromaticContact ND1-CD2 3.11Å; H168-H207 PolarHBondContact ND1-CD2 3.28Å; H168-H207 AromaticContact ND1-CE1 3.53Å; H168-H207 AromaticContact ND1-CG 3.1Å; H168-H207 AromaticContact ND1-ND1 3.37Å; H168-H207 PolarHBondContact ND1-ND1 3.43Å; H168-H207 AromaticContact ND1-NE2 3.36Å; H168-H207 PolarHBondContact ND1-NE2 2.96Å; I169-H207 PolarHBondContact O-N 2.89Å; H207-E234 WeakPolarHBondContact O-CA 3.41Å; H207-R235 PolarHBondContact O-N 3.2Å
208	F	79.5	Confident	64.4	Low	12 Å²	12	45.9 Å²	45.9	5%	0.053	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	140.2	-173.8	-58.2	-62.5	0	0	0	111.5	Y159 L163 H168 A170 A171 F232 V233 E234	Y159-F208 HydrophobicContact CD1-CD1 4.15Å; Y159-F208 AromaticContact CD1-CE1 3.78Å; Y159-F208 HydrophobicContact CD1-CE1 3.78Å; Y159-F208 HydrophobicContact CD1-CE2 4.49Å; Y159-F208 AromaticContact CD1-CZ 3.96Å; Y159-F208 HydrophobicContact CD1-CZ 3.96Å; Y159-F208 HydrophobicContact CE1-CD1 4.05Å; Y159-F208 AromaticContact CE1-CE1 3.66Å; Y159-F208 HydrophobicContact CE1-CE1 3.66Å; Y159-F208 HydrophobicContact CE1-CZ 4.25Å; L163-F208 HydrophobicContact CD2-CD2 3.74Å; L163-F208 HydrophobicContact CD2-CE2 4.32Å; L163-F208 HydrophobicContact CG-CD2 4.35Å; H168-F208 HydrophobicContact CB-CD2 3.67Å; H168-F208 HydrophobicContact CB-CE2 3.34Å; H168-F208 HydrophobicContact CB-CZ 4.43Å; H168-F208 AromaticContact CD2-CE2 3.4Å; H168-F208 WeakPolarHBondContact CD2-CE2 3.32Å; H168-F208 AromaticContact CD2-CZ 3.73Å; H168-F208 AromaticContact CG-CE2 3.52Å; A170-F208 CarbonylContact C-O 3.55Å; A170-F208 WeakPolarHBondContact CA-O 3.42Å; A170-F208 HydrophobicContact CB-CB 4.5Å; A171-F208 PolarHBondContact N-O 2.52Å; F208-F232 HydrophobicContact CB-CD1 4.3Å; F208-F232 HydrophobicContact CB-CE1 3.45Å; F208-F232 VanDerWaalsContact CB-CE1 3.45Å; F208-F232 HydrophobicContact CB-CE2 4.24Å; F208-F232 HydrophobicContact CB-CZ 3.42Å; F208-F232 VanDerWaalsContact CB-CZ 3.42Å; F208-F232 HydrophobicContact CD1-CD1 4.29Å; F208-F232 AromaticContact CD1-CE1 3.77Å; F208-F232 HydrophobicContact CD1-CE1 3.77Å; F208-F232 HydrophobicContact CD2-CE1 4.22Å; F208-F232 HydrophobicContact CD2-CZ 4.48Å; F208-F232 HydrophobicContact CG-CD1 4.46Å; F208-F232 AromaticContact CG-CE1 3.56Å; F208-F232 HydrophobicContact CG-CE1 3.56Å; F208-F232 AromaticContact CG-CZ 3.95Å; F208-F232 HydrophobicContact CG-CZ 3.95Å; F208-V233 CarbonylContact C-O 3.41Å; F208-V233 WeakPolarHBondContact CA-O 3.4Å; F208-E234 HydrophobicContact CD1-CB 4.17Å; F208-E234 HydrophobicContact CD1-CG 3.73Å; F208-E234 HydrophobicContact CE1-CB 4.19Å; F208-E234 HydrophobicContact CE1-CG 3.64Å
209	Y	83	Confident	66.2	Low	1 Å²	1	39.4 Å²	39.4	0%	0.004	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	112.1	-176	-56	-89.9	0	0	0	109.2	A171 L206 V233 R235 V240 V259 F261	A171-Y209 HydrophobicContact CB-CD1 3.45Å; A171-Y209 VanDerWaalsContact CB-CD1 3.45Å; A171-Y209 HydrophobicContact CB-CE1 3.91Å; A171-Y209 HydrophobicContact CB-CG 4.25Å; L206-Y209 HydrophobicContact CB-CE1 4.17Å; L206-Y209 PolarHBondContact O-OH 2.98Å; Y209-V233 PolarHBondContact N-O 3.4Å; Y209-V233 PolarHBondContact O-N 2.88Å; Y209-R235 HydrophobicContact CE2-CB 4.1Å; Y209-R235 VanDerWaalsContact OH-CZ 3.23Å; Y209-R235 PolarHBondContact OH-NE 2.97Å; Y209-R235 PolarHBondContact OH-NH2 3.2Å; Y209-V240 HydrophobicContact CD2-CG1 4.11Å; Y209-V240 HydrophobicContact CE2-CG1 3.76Å; Y209-V259 HydrophobicContact CD1-CG1 4Å; Y209-V259 HydrophobicContact CD1-CG2 4.26Å; Y209-V259 HydrophobicContact CE1-CB 4.46Å; Y209-V259 HydrophobicContact CE1-CG1 3.83Å; Y209-V259 HydrophobicContact CE1-CG2 3.8Å; Y209-F261 HydrophobicContact CD1-CZ 4.31Å; Y209-F261 HydrophobicContact CD2-CE1 4.33Å; Y209-F261 HydrophobicContact CG-CE1 4.1Å; Y209-F261 HydrophobicContact CG-CZ 4.01Å
210	Q	84.9	Confident	68.1	Low	2 Å²	2	39.9 Å²	39.9	1%	0.009	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	121	165.2	-174.9	-177.3	-79.6	0	0	108.8	I142 G143 A171 F172 C173 F231 F232 I272	I142-Q210 PolarHBondContact O-NE2 2.56Å; I142-Q210 PolarHBondContact O-OE1 3.06Å; G143-Q210 WeakPolarHBondContact O-CB 3.3Å; G143-Q210 PolarHBondContact O-OE1 3.06Å; A171-Q210 PolarHBondContact O-N 2.98Å; F172-Q210 HydrophobicContact CD2-CB 4.14Å; F172-Q210 HydrophobicContact CD2-CG 4.11Å; F172-Q210 WeakPolarHBondContact CD2-O 3.39Å; F172-Q210 HydrophobicContact CE2-CG 4.32Å; C173-Q210 PolarHBondContact N-O 3Å; Q210-F231 WeakPolarHBondContact CA-O 3.3Å; Q210-F232 HydrophobicContact CB-CD2 4Å; Q210-F232 HydrophobicContact CB-CE2 4.24Å; Q210-I272 HydrophobicContact CG-CD1 3.85Å
211	T	84.7	Confident	70.1	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	160.6	-174.1	-170.1	0	0	0	0	111.9	C173 F197 L213 A230 F231 V233	C173-T211 WeakPolarHBondContact O-CA 3.31Å; C173-T211 PolarHBondContact O-OG1 2.98Å; F197-T211 HydrophobicContact CE2-CG2 4.23Å; F197-T211 VanDerWaalsContact CE2-OG1 3.26Å; F197-T211 WeakPolarHBondContact CE2-OG1 3.37Å; F197-T211 WeakPolarHBondContact CZ-OG1 3.28Å; T211-L213 HydrophobicContact CG2-CD1 3.96Å; T211-A230 CarbonylContact O-C 3.48Å; T211-A230 VanDerWaalsContact O-CA 3.32Å; T211-A230 WeakPolarHBondContact O-CA 3.38Å; T211-F231 HydrophobicContact CG2-CB 4.25Å; T211-F231 PolarHBondContact N-O 3.49Å; T211-F231 PolarHBondContact O-N 3.09Å; T211-V233 HydrophobicContact CG2-CG2 3.75Å
212	C	80.4	Confident	72.1	Confident	7 Å²	7	43.7 Å²	43.7	5%	0.047	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	135.9	178.5	-74.3	0	0	0	0	110.2	L174 I228 S229	L174-C212 HydrophobicContact CD1-CB 4.04Å; C212-I228 HydrophobicContact CB-CG2 3.67Å; C212-S229 CarbonylContact C-O 3.25Å; C212-S229 WeakPolarHBondContact CA-O 3.37Å
213	L	78.8	Confident	73.9	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	140.3	-165.8	-81.2	153.6	0	0	0	111.9	A188 T190 L195 F197 T211 T215 I228 S229 F231	A188-L213 HydrophobicContact CB-CD2 3.62Å; T190-L213 HydrophobicContact CG2-CB 3.76Å; T190-L213 HydrophobicContact CG2-CD1 4.02Å; T190-L213 HydrophobicContact CG2-CD2 4.45Å; T190-L213 HydrophobicContact CG2-CG 4.31Å; L195-L213 HydrophobicContact CD1-CD1 3.63Å; L195-L213 HydrophobicContact CD2-CD1 3.24Å; L195-L213 HydrophobicContact CD2-CD2 4.34Å; L195-L213 HydrophobicContact CD2-CG 4.33Å; L195-L213 HydrophobicContact CG-CD1 3.99Å; F197-L213 HydrophobicContact CD2-CD2 3.58Å; F197-L213 HydrophobicContact CD2-CG 4.34Å; F197-L213 HydrophobicContact CE2-CD1 3.95Å; F197-L213 HydrophobicContact CE2-CD2 3.17Å; F197-L213 HydrophobicContact CE2-CG 3.51Å; F197-L213 HydrophobicContact CZ-CD2 3.88Å; F197-L213 HydrophobicContact CZ-CG 4.11Å; T211-L213 HydrophobicContact CG2-CD1 3.96Å; L213-T215 PolarHBondContact O-N 3.38Å; L213-T215 PolarHBondContact O-OG1 3.48Å; L213-T215 VanDerWaalsContact O-OG1 3.1Å; L213-I228 CarbonylContact O-C 3.59Å; L213-I228 VanDerWaalsContact O-CA 3.31Å; L213-I228 WeakPolarHBondContact O-CA 3.12Å; L213-S229 PolarHBondContact N-O 3.46Å; L213-S229 PolarHBondContact O-N 3.36Å; L213-F231 HydrophobicContact CB-CD2 4.17Å; L213-F231 HydrophobicContact CB-CE2 4.01Å; L213-F231 HydrophobicContact CD1-CD2 3.53Å; L213-F231 HydrophobicContact CD1-CE2 3.94Å; L213-F231 HydrophobicContact CD1-CG 4.35Å; L213-F231 HydrophobicContact CG-CD2 4.43Å
214	Q	77.8	Confident	76	Confident	60 Å²	60	49.4 Å²	49.4	28%	0.28	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	131.5	165.7	-63.2	-161.4	-14.5	0	0	110.3	C186 A188 F189 T190 K227	C186-Q214 VanDerWaalsContact O-CD 3.25Å; C186-Q214 WeakPolarHBondContact O-CG 3.2Å; C186-Q214 PolarHBondContact O-NE2 2.64Å; A188-Q214 WeakPolarHBondContact O-CB 3.46Å; A188-Q214 PolarHBondContact O-N 3.32Å; F189-Q214 CarbonylContact C-O 3.3Å; F189-Q214 VanDerWaalsContact CA-O 3.27Å; F189-Q214 WeakPolarHBondContact CA-O 3.39Å; F189-Q214 HydrophobicContact CB-CB 4.01Å; T190-Q214 WeakPolarHBondContact CG2-O 3.38Å; T190-Q214 PolarHBondContact N-O 3.4Å; T190-Q214 PolarHBondContact OG1-O 2.84Å; Q214-K227 CarbonylContact C-O 3.59Å; Q214-K227 WeakPolarHBondContact CA-O 3.25Å
215	T	78.7	Confident	78.4	Confident	9 Å²	9	54.2 Å²	54.2	6%	0.055	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	127.4	-173.4	-52.3	0	0	0	0	107.8	T190 L213 V217 E226 K227 S229 E275	T190-T215 WeakPolarHBondContact OG1-CA 3.24Å; L213-T215 PolarHBondContact O-N 3.38Å; L213-T215 PolarHBondContact O-OG1 3.48Å; L213-T215 VanDerWaalsContact O-OG1 3.1Å; T215-V217 HydrophobicContact CG2-CG2 4.42Å; T215-V217 WeakPolarHBondContact O-CG2 3.5Å; T215-V217 PolarHBondContact O-N 3.34Å; T215-E226 PolarHBondContact N-OE2 2.74Å; T215-K227 PolarHBondContact N-O 3.22Å; T215-K227 PolarHBondContact O-N 2.79Å; T215-S229 WeakPolarHBondContact CB-OG 3.24Å; T215-S229 VanDerWaalsContact OG1-CB 3.23Å; T215-S229 WeakPolarHBondContact OG1-CB 3.24Å; T215-S229 PolarHBondContact OG1-OG 2.94Å; T215-S229 VanDerWaalsContact OG1-OG 3.09Å; T215-E275 HydrophobicContact CG2-CG 3.98Å
216	P	78.4	Confident	80.1	Confident	51 Å²	51	51.9 Å²	51.9	33%	0.331	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	100.7	176.7	26.1	-32.2	0	0	0	109.8	T224	P216-T224 HydrophobicContact CB-CG2 3.65Å
217	V	81.7	Confident	81.4	Confident	15 Å²	15	55.7 Å²	55.7	9%	0.091	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	119.6	-178.9	-173	0	0	0	0	109.9	T215 S219 T224 K225 K227 E275	T215-V217 HydrophobicContact CG2-CG2 4.42Å; T215-V217 WeakPolarHBondContact O-CG2 3.5Å; T215-V217 PolarHBondContact O-N 3.34Å; V217-S219 PolarHBondContact O-N 3.5Å; V217-T224 WeakPolarHBondContact O-CA 3.47Å; V217-K225 PolarHBondContact N-O 3.21Å; V217-K225 PolarHBondContact O-N 3.05Å; V217-K227 HydrophobicContact CB-CD 4.1Å; V217-K227 HydrophobicContact CB-CG 4.36Å; V217-K227 HydrophobicContact CG1-CD 4.43Å; V217-K227 HydrophobicContact CG2-CB 3.86Å; V217-K227 HydrophobicContact CG2-CD 4.14Å; V217-K227 HydrophobicContact CG2-CG 4.22Å; V217-E275 HydrophobicContact CG2-CG 3.81Å
218	K	82.3	Confident	82.4	Confident	154 Å²	154	52.5 Å²	52.5	67%	0.67	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.8	118.2	174.5	-164.9	173.4	-179.2	179.3	0	110.1	G222	K218-G222 WeakPolarHBondContact CE-O 3.37Å
219	S	80.2	Confident	83	Confident	32 Å²	32	52 Å²	52	22%	0.224	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-78.8	165.2	176.4	-62.2	0	0	0	0	111	V217 D221 G222 V223	V217-S219 PolarHBondContact O-N 3.5Å; S219-D221 WeakPolarHBondContact CB-OD1 3.39Å; S219-D221 PolarHBondContact O-N 2.94Å; S219-G222 WeakPolarHBondContact O-CA 3.45Å; S219-G222 PolarHBondContact O-N 3.45Å; S219-V223 WeakPolarHBondContact CB-O 3.23Å; S219-V223 PolarHBondContact N-O 2.85Å; S219-V223 PolarHBondContact OG-O 2.85Å
220	S	81.3	Confident	83.4	Confident	139 Å²	139	52 Å²	52	97%	0.972	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-23	-177.6	48.8	0	0	0	0	114	G222	S220-G222 PolarHBondContact O-N 2.91Å
221	D	82.7	Confident	83.8	Confident	109 Å²	109	52.9 Å²	52.9	58%	0.583	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	1.7	172.4	60.4	0	0	0	0	113.2	S219 V223	S219-D221 WeakPolarHBondContact CB-OD1 3.39Å; S219-D221 PolarHBondContact O-N 2.94Å; D221-V223 VanDerWaalsContact C-N 3.26Å; D221-V223 PolarHBondContact O-N 3.36Å; D221-V223 WeakPolarHBondContact OD1-CB 3.39Å; D221-V223 PolarHBondContact OD1-N 3.28Å
222	G	80.2	Confident	84.1	Confident	39 Å²	39	52.9 Å²	52.9	40%	0.402	29%	0.292	S	S	.	.	S	Bend	trans	83.2	-4.5	-177.7	0	0	0	0	0	114.3	K218 S219 S220	K218-G222 WeakPolarHBondContact CE-O 3.37Å; S219-G222 WeakPolarHBondContact O-CA 3.45Å; S219-G222 PolarHBondContact O-N 3.45Å; S220-G222 PolarHBondContact O-N 2.91Å
223	V	84.8	Confident	84.5	Confident	68 Å²	68	52.6 Å²	52.6	41%	0.412	29%	0.289	S	S	.	.			trans	-80.6	122.4	-179.1	-177.6	0	0	0	0	109.9	S219 D221 K225	S219-V223 WeakPolarHBondContact CB-O 3.23Å; S219-V223 PolarHBondContact N-O 2.85Å; S219-V223 PolarHBondContact OG-O 2.85Å; D221-V223 VanDerWaalsContact C-N 3.26Å; D221-V223 PolarHBondContact O-N 3.36Å; D221-V223 WeakPolarHBondContact OD1-CB 3.39Å; D221-V223 PolarHBondContact OD1-N 3.28Å; V223-K225 HydrophobicContact CG1-CG 4.18Å
224	T	84.7	Confident	85.1	Confident	81 Å²	81	54 Å²	54	50%	0.497	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	125.8	171.8	-55.7	0	0	0	0	109.8	P216 V217	P216-T224 HydrophobicContact CB-CG2 3.65Å; V217-T224 WeakPolarHBondContact O-CA 3.47Å
225	K	85.2	Confident	85.6	Confident	115 Å²	115	54.6 Å²	54.6	50%	0.5	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	141.5	173.4	-66.4	-176	-179.2	176.6	0	109.6	V217 V223 K227	V217-K225 PolarHBondContact N-O 3.21Å; V217-K225 PolarHBondContact O-N 3.05Å; V223-K225 HydrophobicContact CG1-CG 4.18Å; K225-K227 PolarHBondContact O-N 3.24Å
226	E	84.4	Confident	86.1	Confident	105 Å²	105	58.5 Å²	58.5	49%	0.491	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	121.8	168.8	-66.2	-58.7	150.9	0	0	109.3	T215	T215-E226 PolarHBondContact N-OE2 2.74Å
227	K	88.5	Confident	86.6	Confident	86 Å²	86	58.7 Å²	58.7	37%	0.374	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	165.6	172.2	-62.1	-175.6	179.2	175.5	0	109.3	Q214 T215 V217 K225	Q214-K227 CarbonylContact C-O 3.59Å; Q214-K227 WeakPolarHBondContact CA-O 3.25Å; T215-K227 PolarHBondContact N-O 3.22Å; T215-K227 PolarHBondContact O-N 2.79Å; V217-K227 HydrophobicContact CB-CD 4.1Å; V217-K227 HydrophobicContact CB-CG 4.36Å; V217-K227 HydrophobicContact CG1-CD 4.43Å; V217-K227 HydrophobicContact CG2-CB 3.86Å; V217-K227 HydrophobicContact CG2-CD 4.14Å; V217-K227 HydrophobicContact CG2-CG 4.22Å; K225-K227 PolarHBondContact O-N 3.24Å
228	I	88.8	Confident	86.8	Confident	18 Å²	18	59.8 Å²	59.8	9%	0.092	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	130.5	177.7	-62	173.5	0	0	0	109.6	G184 C212 L213 G276 E277 G278 F279	G184-I228 WeakPolarHBondContact O-CD1 3.31Å; C212-I228 HydrophobicContact CB-CG2 3.67Å; L213-I228 CarbonylContact O-C 3.59Å; L213-I228 VanDerWaalsContact O-CA 3.31Å; L213-I228 WeakPolarHBondContact O-CA 3.12Å; I228-G276 CarbonylContact O-C 3.56Å; I228-G276 WeakPolarHBondContact O-CA 3.19Å; I228-E277 PolarHBondContact O-N 3.02Å; I228-G278 WeakPolarHBondContact O-CA 3.12Å; I228-G278 PolarHBondContact O-N 3.21Å; I228-F279 HydrophobicContact CB-CB 4.22Å; I228-F279 HydrophobicContact CD1-CB 4.1Å; I228-F279 HydrophobicContact CD1-CD2 4.25Å; I228-F279 HydrophobicContact CG2-CB 4.41Å
229	S	91.4	Very high	87	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	150.3	168.8	-58.5	0	0	0	0	110.4	C212 L213 T215 G276	C212-S229 CarbonylContact C-O 3.25Å; C212-S229 WeakPolarHBondContact CA-O 3.37Å; L213-S229 PolarHBondContact N-O 3.46Å; L213-S229 PolarHBondContact O-N 3.36Å; T215-S229 WeakPolarHBondContact CB-OG 3.24Å; T215-S229 VanDerWaalsContact OG1-CB 3.23Å; T215-S229 WeakPolarHBondContact OG1-CB 3.24Å; T215-S229 PolarHBondContact OG1-OG 2.94Å; T215-S229 VanDerWaalsContact OG1-OG 3.09Å; S229-G276 PolarHBondContact OG-N 2.67Å
230	A	92.4	Very high	87.3	Confident	1 Å²	1	53 Å²	53	1%	0.008	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	138.3	179.4	0	0	0	0	0	110.7	T211 I272 V281	T211-A230 CarbonylContact O-C 3.48Å; T211-A230 VanDerWaalsContact O-CA 3.32Å; T211-A230 WeakPolarHBondContact O-CA 3.38Å; A230-I272 HydrophobicContact CB-CB 4.11Å; A230-I272 PolarHBondContact O-N 3.22Å; A230-V281 HydrophobicContact CB-CB 4.19Å; A230-V281 HydrophobicContact CB-CG1 3.95Å
231	F	91.5	Very high	87.6	Confident	22 Å²	22	50.1 Å²	50.1	10%	0.096	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	149.6	-177.9	-62.1	-89.8	0	0	0	111.3	T190 Q210 T211 L213 V233 V266 C270 L271	T190-F231 HydrophobicContact CG2-CE2 3.88Å; T190-F231 HydrophobicContact CG2-CZ 4.1Å; Q210-F231 WeakPolarHBondContact CA-O 3.3Å; T211-F231 HydrophobicContact CG2-CB 4.25Å; T211-F231 PolarHBondContact N-O 3.49Å; T211-F231 PolarHBondContact O-N 3.09Å; L213-F231 HydrophobicContact CB-CD2 4.17Å; L213-F231 HydrophobicContact CB-CE2 4.01Å; L213-F231 HydrophobicContact CD1-CD2 3.53Å; L213-F231 HydrophobicContact CD1-CE2 3.94Å; L213-F231 HydrophobicContact CD1-CG 4.35Å; L213-F231 HydrophobicContact CG-CD2 4.43Å; F231-V233 HydrophobicContact CB-CG2 4.04Å; F231-V266 HydrophobicContact CD1-CG1 4.18Å; F231-C270 WeakPolarHBondContact CA-O 3.42Å; F231-L271 HydrophobicContact CD1-CB 4.44Å; F231-L271 HydrophobicContact CD1-CD1 4.33Å; F231-L271 HydrophobicContact CE1-CB 4.29Å; F231-L271 HydrophobicContact CE1-CD1 3.85Å; F231-L271 HydrophobicContact CZ-CD1 4.01Å
232	F	91	Very high	87.7	Confident	0 Å²	0	47 Å²	47	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	97.5	169.1	-153.6	-111.3	0	0	0	109.6	I147 Y159 L163 A170 F208 Q210 C270 I272	I147-F232 HydrophobicContact CD1-CB 3.9Å; I147-F232 HydrophobicContact CD1-CD1 4.29Å; I147-F232 HydrophobicContact CD1-CD2 4.23Å; I147-F232 HydrophobicContact CD1-CG 3.89Å; I147-F232 HydrophobicContact CG1-CB 4.34Å; I147-F232 HydrophobicContact CG1-CD1 4.13Å; I147-F232 HydrophobicContact CG1-CD2 3.73Å; I147-F232 HydrophobicContact CG1-CE1 4.33Å; I147-F232 HydrophobicContact CG1-CE2 3.98Å; I147-F232 HydrophobicContact CG1-CG 3.81Å; I147-F232 HydrophobicContact CG1-CZ 4.26Å; Y159-F232 AromaticContact CD1-CD1 3.74Å; Y159-F232 HydrophobicContact CD1-CD1 3.74Å; Y159-F232 AromaticContact CD1-CE1 3.55Å; Y159-F232 HydrophobicContact CD1-CE1 3.55Å; Y159-F232 AromaticContact CD2-CD1 3.91Å; Y159-F232 HydrophobicContact CD2-CD1 3.91Å; Y159-F232 HydrophobicContact CD2-CE1 4.23Å; Y159-F232 AromaticContact CE1-CD1 3.76Å; Y159-F232 HydrophobicContact CE1-CD1 3.76Å; Y159-F232 AromaticContact CE1-CE1 3.99Å; Y159-F232 HydrophobicContact CE1-CE1 3.99Å; Y159-F232 AromaticContact CE2-CD1 3.94Å; Y159-F232 HydrophobicContact CE2-CD1 3.94Å; Y159-F232 AromaticContact CG-CD1 3.83Å; Y159-F232 HydrophobicContact CG-CD1 3.83Å; Y159-F232 AromaticContact CG-CE1 3.7Å; Y159-F232 HydrophobicContact CG-CE1 3.7Å; Y159-F232 AromaticContact CZ-CD1 3.87Å; L163-F232 HydrophobicContact CD1-CE1 4.4Å; L163-F232 HydrophobicContact CD1-CZ 4.01Å; A170-F232 HydrophobicContact CB-CZ 4.36Å; F208-F232 HydrophobicContact CB-CD1 4.3Å; F208-F232 HydrophobicContact CB-CE1 3.45Å; F208-F232 VanDerWaalsContact CB-CE1 3.45Å; F208-F232 HydrophobicContact CB-CE2 4.24Å; F208-F232 HydrophobicContact CB-CZ 3.42Å; F208-F232 VanDerWaalsContact CB-CZ 3.42Å; F208-F232 HydrophobicContact CD1-CD1 4.29Å; F208-F232 AromaticContact CD1-CE1 3.77Å; F208-F232 HydrophobicContact CD1-CE1 3.77Å; F208-F232 HydrophobicContact CD2-CE1 4.22Å; F208-F232 HydrophobicContact CD2-CZ 4.48Å; F208-F232 HydrophobicContact CG-CD1 4.46Å; F208-F232 AromaticContact CG-CE1 3.56Å; F208-F232 HydrophobicContact CG-CE1 3.56Å; F208-F232 AromaticContact CG-CZ 3.95Å; F208-F232 HydrophobicContact CG-CZ 3.95Å; Q210-F232 HydrophobicContact CB-CD2 4Å; Q210-F232 HydrophobicContact CB-CE2 4.24Å; F232-C270 PolarHBondContact N-O 3.22Å; F232-C270 WeakPolarHBondContact O-CB 3.33Å; F232-I272 HydrophobicContact CB-CD1 3.88Å; F232-I272 HydrophobicContact CB-CG1 4.12Å; F232-I272 HydrophobicContact CD2-CD1 4.14Å; F232-I272 HydrophobicContact CG-CD1 4.47Å
233	V	90.2	Very high	87.8	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	134.4	-171.5	-176.2	0	0	0	0	110.3	L195 F208 Y209 T211 F231 F237 V240 F261 V264 V266	L195-V233 HydrophobicContact CD1-CG2 3.79Å; F208-V233 CarbonylContact C-O 3.41Å; F208-V233 WeakPolarHBondContact CA-O 3.4Å; Y209-V233 PolarHBondContact N-O 3.4Å; Y209-V233 PolarHBondContact O-N 2.88Å; T211-V233 HydrophobicContact CG2-CG2 3.75Å; F231-V233 HydrophobicContact CB-CG2 4.04Å; V233-F237 HydrophobicContact CG1-CD2 4.13Å; V233-V240 HydrophobicContact CG1-CG2 4.16Å; V233-F261 HydrophobicContact CB-CE1 4.06Å; V233-F261 HydrophobicContact CG1-CD1 3.96Å; V233-F261 HydrophobicContact CG1-CE1 3.88Å; V233-V264 HydrophobicContact CG1-CG1 3.98Å; V233-V266 HydrophobicContact CG1-CG2 4.05Å; V233-V266 HydrophobicContact CG2-CG1 4.5Å; V233-V266 HydrophobicContact CG2-CG2 4Å
234	E	90.3	Very high	87.8	Confident	29 Å²	29	48.2 Å²	48.2	14%	0.136	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	139.1	177.6	-47.9	-173.2	-158.5	0	0	110.3	K158 Y159 H207 F208 A236 F237	K158-E234 VanDerWaalsContact CE-OE1 3.28Å; K158-E234 WeakPolarHBondContact CE-OE1 3.48Å; K158-E234 IonicContact NZ-OE1 2.84Å; K158-E234 PolarHBondContact NZ-OE1 3.24Å; Y159-E234 HydrophobicContact CE1-CG 4.15Å; Y159-E234 WeakPolarHBondContact CE1-OE1 3.3Å; Y159-E234 PolarHBondContact OH-OE1 3.39Å; H207-E234 WeakPolarHBondContact O-CA 3.41Å; F208-E234 HydrophobicContact CD1-CB 4.17Å; F208-E234 HydrophobicContact CD1-CG 3.73Å; F208-E234 HydrophobicContact CE1-CB 4.19Å; F208-E234 HydrophobicContact CE1-CG 3.64Å; E234-A236 HydrophobicContact CB-CB 4.5Å; E234-A236 PolarHBondContact O-N 2.92Å; E234-F237 HydrophobicContact CB-CD1 3.98Å; E234-F237 HydrophobicContact CB-CD2 4.05Å; E234-F237 HydrophobicContact CB-CE1 3.82Å; E234-F237 HydrophobicContact CB-CE2 3.9Å; E234-F237 HydrophobicContact CB-CG 4.09Å; E234-F237 HydrophobicContact CB-CZ 3.79Å; E234-F237 VanDerWaalsContact CD-CZ 3.49Å; E234-F237 HydrophobicContact CG-CD1 4.41Å; E234-F237 HydrophobicContact CG-CD2 4.39Å; E234-F237 HydrophobicContact CG-CE1 3.74Å; E234-F237 HydrophobicContact CG-CE2 3.72Å; E234-F237 HydrophobicContact CG-CZ 3.36Å; E234-F237 WeakPolarHBondContact O-CB 3.22Å; E234-F237 PolarHBondContact O-N 3.04Å; E234-F237 VanDerWaalsContact O-N 3.13Å; E234-F237 WeakPolarHBondContact OE1-CZ 3.38Å
235	R	88.6	Confident	87.9	Confident	74 Å²	74	47.5 Å²	47.5	28%	0.279	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-57.2	-31.3	172.1	-171	170.6	-78.8	-90.5	11.4	111.8	L206 H207 Y209 F237 G238 V240 S242	L206-R235 PolarHBondContact O-NE 3.41Å; H207-R235 PolarHBondContact O-N 3.2Å; Y209-R235 HydrophobicContact CE2-CB 4.1Å; Y209-R235 VanDerWaalsContact OH-CZ 3.23Å; Y209-R235 PolarHBondContact OH-NE 2.97Å; Y209-R235 PolarHBondContact OH-NH2 3.2Å; R235-F237 PolarHBondContact O-N 2.87Å; R235-G238 PolarHBondContact O-N 2.85Å; R235-V240 HydrophobicContact CG-CB 4.33Å; R235-V240 HydrophobicContact CG-CG1 4.49Å; R235-V240 PolarHBondContact NH1-O 2.77Å; R235-S242 PolarHBondContact NH2-OG 3.42Å
236	A	89.8	Confident	88.1	Confident	90 Å²	90	45.9 Å²	45.9	74%	0.744	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-65.8	-15	-179.1	0	0	0	0	0	114.1	E234 G238	E234-A236 HydrophobicContact CB-CB 4.5Å; E234-A236 PolarHBondContact O-N 2.92Å; A236-G238 PolarHBondContact O-N 2.9Å
237	F	88.4	Confident	88.4	Confident	55 Å²	55	47 Å²	47	24%	0.241	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-69.8	-9.2	176.1	-61.9	-19.9	0	0	0	113.5	V233 E234 R235 V264 V266 P267	V233-F237 HydrophobicContact CG1-CD2 4.13Å; E234-F237 HydrophobicContact CB-CD1 3.98Å; E234-F237 HydrophobicContact CB-CD2 4.05Å; E234-F237 HydrophobicContact CB-CE1 3.82Å; E234-F237 HydrophobicContact CB-CE2 3.9Å; E234-F237 HydrophobicContact CB-CG 4.09Å; E234-F237 HydrophobicContact CB-CZ 3.79Å; E234-F237 VanDerWaalsContact CD-CZ 3.49Å; E234-F237 HydrophobicContact CG-CD1 4.41Å; E234-F237 HydrophobicContact CG-CD2 4.39Å; E234-F237 HydrophobicContact CG-CE1 3.74Å; E234-F237 HydrophobicContact CG-CE2 3.72Å; E234-F237 HydrophobicContact CG-CZ 3.36Å; E234-F237 WeakPolarHBondContact O-CB 3.22Å; E234-F237 PolarHBondContact O-N 3.04Å; E234-F237 VanDerWaalsContact O-N 3.13Å; E234-F237 WeakPolarHBondContact OE1-CZ 3.38Å; R235-F237 PolarHBondContact O-N 2.87Å; F237-V264 HydrophobicContact CB-CG1 3.88Å; F237-V266 HydrophobicContact CD2-CG2 4.23Å; F237-V266 HydrophobicContact CE2-CG1 4.46Å; F237-P267 HydrophobicContact CE1-CG 4.33Å; F237-P267 HydrophobicContact CE2-CG 4.49Å; F237-P267 HydrophobicContact CZ-CG 4.08Å
238	G	86.3	Confident	88.6	Confident	38 Å²	38	44.9 Å²	44.9	39%	0.392	29%	0.292	S	S	.	.	S	Bend	trans	77.4	160.4	-175.7	0	0	0	0	0	111.9	R235 A236 V240 V264	R235-G238 PolarHBondContact O-N 2.85Å; A236-G238 PolarHBondContact O-N 2.9Å; G238-V240 PolarHBondContact O-N 2.83Å; G238-V264 WeakPolarHBondContact O-CG1 3.5Å; G238-V264 WeakPolarHBondContact O-CG2 3.36Å
239	G	86.4	Confident	88.9	Confident	35 Å²	35	49.2 Å²	49.2	36%	0.361	31%	0.313	S	S	.	.			trans	73.3	-1	-177.3	0	0	0	0	0	115.4	D262	G239-D262 WeakPolarHBondContact CA-O 3.49Å; G239-D262 PolarHBondContact O-N 2.9Å
240	V	87.2	Confident	89.1	Confident	10 Å²	10	49.4 Å²	49.4	6%	0.061	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	108.8	175.4	-172.9	0	0	0	0	110.1	Y209 V233 R235 G238 V259 Y260 F261 V264	Y209-V240 HydrophobicContact CD2-CG1 4.11Å; Y209-V240 HydrophobicContact CE2-CG1 3.76Å; V233-V240 HydrophobicContact CG1-CG2 4.16Å; R235-V240 HydrophobicContact CG-CB 4.33Å; R235-V240 HydrophobicContact CG-CG1 4.49Å; R235-V240 PolarHBondContact NH1-O 2.77Å; G238-V240 PolarHBondContact O-N 2.83Å; V240-V259 HydrophobicContact CG1-CG1 4.03Å; V240-Y260 WeakPolarHBondContact CA-O 3.39Å; V240-F261 HydrophobicContact CG1-CD1 4.24Å; V240-F261 HydrophobicContact CG1-CE1 4.11Å; V240-F261 HydrophobicContact CG2-CD1 3.84Å; V240-F261 HydrophobicContact CG2-CE1 4.24Å; V240-V264 HydrophobicContact CG2-CG1 4.07Å; V240-V264 HydrophobicContact CG2-CG2 3.79Å
241	T	86.3	Confident	89.3	Confident	77 Å²	77	50 Å²	50	47%	0.472	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	163.7	175.5	62.5	0	0	0	0	110.7	V259 Y260	T241-V259 WeakPolarHBondContact O-CA 3.43Å; T241-Y260 PolarHBondContact N-O 3.37Å; T241-Y260 PolarHBondContact O-N 2.98Å
242	S	85	Confident	89.5	Confident	45 Å²	45	51.9 Å²	51.9	32%	0.315	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	147.5	175.3	47.1	0	0	0	0	110.4	R235 E258	R235-S242 PolarHBondContact NH2-OG 3.42Å; S242-E258 CarbonylContact C-O 2.99Å; S242-E258 WeakPolarHBondContact CA-O 3.26Å; S242-E258 WeakPolarHBondContact CB-O 3.16Å
243	G	83	Confident	89.6	Confident	21 Å²	21	52 Å²	52	22%	0.216	33%	0.326	C	S	.	.			trans	-71.2	-175.1	174.6	0	0	0	0	0	112.7	T257 E258	G243-T257 PolarHBondContact N-OG1 3.47Å; G243-T257 PolarHBondContact O-OG1 3.24Å; G243-E258 PolarHBondContact N-O 3.48Å
244	P	85.3	Confident	89.7	Confident	111 Å²	111	52 Å²	52	72%	0.721	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-64.1	164.4	166.7	30.1	-34.5	0	0	0	110.8	T257	P244-T257 WeakPolarHBondContact O-CB 3.43Å; P244-T257 PolarHBondContact O-OG1 2.98Å
245	A	85.5	Confident	89.6	Confident	65 Å²	65	52.3 Å²	52.3	54%	0.537	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-67.2	137	171.2	0	0	0	0	0	110.5	N255 T256	A245-N255 WeakPolarHBondContact CB-OD1 3.17Å; A245-T256 CarbonylContact C-O 3.55Å; A245-T256 WeakPolarHBondContact CA-O 3.33Å
246	E	88.9	Confident	89.6	Confident	81 Å²	81	50.4 Å²	50.4	38%	0.379	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-67.4	135.9	178.3	-68.2	-58.7	154.5	0	0	111.7	K248 T256	E246-K248 HydrophobicContact CB-CG 4.15Å; E246-K248 PolarHBondContact O-N 3.37Å; E246-K248 VanDerWaalsContact O-N 3.16Å; E246-K248 PolarHBondContact O-NZ 3.35Å; E246-T256 WeakPolarHBondContact CB-O 3.45Å; E246-T256 HydrophobicContact CG-CG2 4.29Å; E246-T256 WeakPolarHBondContact CG-O 3.38Å; E246-T256 PolarHBondContact N-O 2.94Å
247	S	90.8	Very high	89.4	Confident	128 Å²	128	46.1 Å²	46.1	90%	0.895	29%	0.29	S	S	*	.			trans	-79.9	94	174	-171.3	0	0	0	0	110.1
248	K	93.4	Very high	89.2	Confident	42 Å²	42	45.2 Å²	45.2	18%	0.183	29%	0.287	C	S	.	.			trans	-97	152.5	-173.6	-60.2	177.3	-59.4	-64.8	0	112.1	E246 G250 I251 K252 S254	E246-K248 HydrophobicContact CB-CG 4.15Å; E246-K248 PolarHBondContact O-N 3.37Å; E246-K248 VanDerWaalsContact O-N 3.16Å; E246-K248 PolarHBondContact O-NZ 3.35Å; K248-G250 VanDerWaalsContact CB-O 3.24Å; K248-G250 WeakPolarHBondContact CB-O 3.47Å; K248-I251 HydrophobicContact CD-CG1 4.24Å; K248-I251 WeakPolarHBondContact CE-O 3.41Å; K248-K252 PolarHBondContact NZ-O 2.64Å; K248-S254 WeakPolarHBondContact CE-O 3.44Å; K248-S254 PolarHBondContact NZ-O 2.99Å
249	M	95.2	Very high	89.1	Confident	110 Å²	110	43.5 Å²	43.5	54%	0.542	27%	0.269	S	S	.	.	S	Bend	trans	-64.9	-38.7	171	76.3	-178.3	-90.9	0	0	112.4	R402 R405	M249-R402 HydrophobicContact CE-CB 4.23Å; M249-R402 HydrophobicContact CE-CG 4.22Å; M249-R402 WeakPolarHBondContact O-CB 3.12Å; M249-R402 VanDerWaalsContact O-CD 3.25Å; M249-R402 WeakPolarHBondContact O-CD 3.06Å; M249-R402 PolarHBondContact O-NH1 3.22Å; M249-R405 HydrophobicContact CE-CB 3.52Å; M249-R405 HydrophobicContact CE-CG 3.75Å; M249-R405 HydrophobicContact SD-CB 3.94Å; M249-R405 HydrophobicContact SD-CG 3.76Å
250	G	96.3	Very high	89	Confident	3 Å²	3	45 Å²	45	3%	0.031	26%	0.264	C	S	.	.	S	Bend	trans	-143.4	-178.6	-175.3	0	0	0	0	0	110.1	K248 K252 D403	K248-G250 VanDerWaalsContact CB-O 3.24Å; K248-G250 WeakPolarHBondContact CB-O 3.47Å; G250-K252 PolarHBondContact O-N 2.91Å; G250-K252 VanDerWaalsContact O-N 3.1Å; G250-D403 WeakPolarHBondContact CA-OD1 3.32Å
251	I	96	Very high	88.8	Confident	13 Å²	13	44.6 Å²	44.6	7%	0.067	26%	0.261	C	S	.	.			trans	45.8	36.6	-171	58.6	165.9	0	0	0	111.6	S131 T134 K248 A253 S254 D403 I406	S131-I251 WeakPolarHBondContact OG-CA 3.5Å; T134-I251 HydrophobicContact CG2-CD1 4.02Å; K248-I251 HydrophobicContact CD-CG1 4.24Å; K248-I251 WeakPolarHBondContact CE-O 3.41Å; I251-A253 PolarHBondContact O-N 3.08Å; I251-S254 WeakPolarHBondContact O-CA 3.48Å; I251-S254 WeakPolarHBondContact O-CB 3.33Å; I251-S254 PolarHBondContact O-N 3.26Å; I251-S254 VanDerWaalsContact O-O 3.13Å; I251-D403 HydrophobicContact CG2-CB 3.88Å; I251-D403 PolarHBondContact N-OD1 2.81Å; I251-I406 HydrophobicContact CD1-CG1 4.45Å; I251-I406 HydrophobicContact CD1-CG2 3.79Å; I251-I406 HydrophobicContact CG1-CG2 4.22Å; I251-I406 HydrophobicContact CG2-CG2 4.32Å
252	K	95.1	Very high	88.7	Confident	62 Å²	62	45.9 Å²	45.9	27%	0.27	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-46.1	-164.3	-70	-175.9	-172.8	157.1	0	112.8	D81 A84 K248 G250 S254	D81-K252 WeakPolarHBondContact O-CD 3.47Å; D81-K252 WeakPolarHBondContact OD1-CD 3.39Å; D81-K252 IonicContact OD1-NZ 2.76Å; D81-K252 IonicContact OD2-NZ 2.87Å; D81-K252 PolarHBondContact OD2-NZ 2.9Å; A84-K252 HydrophobicContact CB-CB 4.06Å; K248-K252 PolarHBondContact NZ-O 2.64Å; G250-K252 PolarHBondContact O-N 2.91Å; G250-K252 VanDerWaalsContact O-N 3.1Å; K252-S254 VanDerWaalsContact C-N 3.26Å; K252-S254 PolarHBondContact O-N 2.86Å
253	A	93.7	Very high	88.6	Confident	2 Å²	2	47.6 Å²	47.6	2%	0.017	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-25.2	177.3	0	0	0	0	0	113.8	N80 F86 I251 N255	N80-A253 HydrophobicContact CB-CB 3.95Å; F86-A253 HydrophobicContact CD1-CB 3.74Å; F86-A253 HydrophobicContact CD2-CB 4.35Å; F86-A253 HydrophobicContact CE1-CB 3.52Å; F86-A253 HydrophobicContact CE2-CB 4.18Å; F86-A253 WeakPolarHBondContact CE2-O 3.33Å; F86-A253 HydrophobicContact CG-CB 4.15Å; F86-A253 HydrophobicContact CZ-CB 3.76Å; I251-A253 PolarHBondContact O-N 3.08Å; A253-N255 PolarHBondContact O-N 2.99Å; A253-N255 VanDerWaalsContact O-N 3.11Å
254	S	92.8	Very high	88.6	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.261	C	S	.	.	S	Bend	trans	-71.5	109.3	167.3	-176.3	0	0	0	0	108.1	K248 I251 K252	K248-S254 WeakPolarHBondContact CE-O 3.44Å; K248-S254 PolarHBondContact NZ-O 2.99Å; I251-S254 WeakPolarHBondContact O-CA 3.48Å; I251-S254 WeakPolarHBondContact O-CB 3.33Å; I251-S254 PolarHBondContact O-N 3.26Å; I251-S254 VanDerWaalsContact O-O 3.13Å; K252-S254 VanDerWaalsContact C-N 3.26Å; K252-S254 PolarHBondContact O-N 2.86Å
255	N	87.3	Confident	88.5	Confident	37 Å²	37	48.5 Å²	48.5	20%	0.198	26%	0.258	C	S	.	.			trans	-58.7	147.2	179.4	-160.8	-20.6	0	0	0	110.7	V203 A204 A245 A253	V203-N255 WeakPolarHBondContact CA-O 3.49Å; V203-N255 VanDerWaalsContact CB-O 3.3Å; V203-N255 WeakPolarHBondContact CB-O 3Å; V203-N255 HydrophobicContact CG1-CB 4.08Å; V203-N255 WeakPolarHBondContact CG1-O 3.49Å; V203-N255 VanDerWaalsContact CG2-O 3.3Å; V203-N255 WeakPolarHBondContact CG2-O 3.41Å; A204-N255 WeakPolarHBondContact CA-ND2 3.49Å; A204-N255 HydrophobicContact CB-CB 4.31Å; A204-N255 WeakPolarHBondContact CB-ND2 3.19Å; A204-N255 WeakPolarHBondContact CB-OD1 3.33Å; A204-N255 WeakPolarHBondContact O-CB 3.26Å; A204-N255 PolarHBondContact O-ND2 3.34Å; A245-N255 WeakPolarHBondContact CB-OD1 3.17Å; A253-N255 PolarHBondContact O-N 2.99Å; A253-N255 VanDerWaalsContact O-N 3.11Å
256	T	89.1	Confident	88.4	Confident	33 Å²	33	46 Å²	46	20%	0.202	24%	0.236	C	C	.	.			trans	-150.4	132.7	172	-56.3	0	0	0	0	105.2	C202 A245 E246	C202-T256 CarbonylContact O-C 3.52Å; C202-T256 WeakPolarHBondContact O-CA 3.31Å; A245-T256 CarbonylContact C-O 3.55Å; A245-T256 WeakPolarHBondContact CA-O 3.33Å; E246-T256 WeakPolarHBondContact CB-O 3.45Å; E246-T256 HydrophobicContact CG-CG2 4.29Å; E246-T256 WeakPolarHBondContact CG-O 3.38Å; E246-T256 PolarHBondContact N-O 2.94Å
257	T	85.7	Confident	88.3	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	159.4	-173.2	-168.8	0	0	0	0	109.6	H201 C202 A204 G243 P244 V259	H201-T257 CarbonylContact C-O 3.59Å; H201-T257 WeakPolarHBondContact CA-O 3.12Å; C202-T257 PolarHBondContact N-O 3.04Å; C202-T257 WeakPolarHBondContact O-CG2 3.3Å; C202-T257 PolarHBondContact O-N 3.39Å; A204-T257 HydrophobicContact CB-CG2 3.21Å; G243-T257 PolarHBondContact N-OG1 3.47Å; G243-T257 PolarHBondContact O-OG1 3.24Å; P244-T257 WeakPolarHBondContact O-CB 3.43Å; P244-T257 PolarHBondContact O-OG1 2.98Å; T257-V259 HydrophobicContact CG2-CG2 4.15Å
258	E	85	Confident	88	Confident	37 Å²	37	44 Å²	44	17%	0.173	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	140.5	161.6	-62.8	-170.1	144.5	0	0	111.1	G200 H201 S242 G243 Y260	G200-E258 CarbonylContact O-C 3.59Å; G200-E258 VanDerWaalsContact O-CA 3.24Å; G200-E258 WeakPolarHBondContact O-CA 3.3Å; H201-E258 IonicContact NE2-OE1 2.79Å; S242-E258 CarbonylContact C-O 2.99Å; S242-E258 WeakPolarHBondContact CA-O 3.26Å; S242-E258 WeakPolarHBondContact CB-O 3.16Å; G243-E258 PolarHBondContact N-O 3.48Å; E258-Y260 HydrophobicContact CB-CE1 4.13Å; E258-Y260 HydrophobicContact CB-CE2 4.2Å; E258-Y260 VanDerWaalsContact OE2-CZ 3.32Å; E258-Y260 PolarHBondContact OE2-OH 3.24Å
259	V	83.6	Confident	87.7	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.006	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	133.2	172	-177.5	0	0	0	0	107.6	G200 C202 Y209 V240 T241 T257 F261	G200-V259 PolarHBondContact N-O 3.39Å; G200-V259 PolarHBondContact O-N 3.26Å; C202-V259 HydrophobicContact CB-CG2 3.75Å; C202-V259 VanDerWaalsContact SG-CG2 3.51Å; Y209-V259 HydrophobicContact CD1-CG1 4Å; Y209-V259 HydrophobicContact CD1-CG2 4.26Å; Y209-V259 HydrophobicContact CE1-CB 4.46Å; Y209-V259 HydrophobicContact CE1-CG1 3.83Å; Y209-V259 HydrophobicContact CE1-CG2 3.8Å; V240-V259 HydrophobicContact CG1-CG1 4.03Å; T241-V259 WeakPolarHBondContact O-CA 3.43Å; T257-V259 HydrophobicContact CG2-CG2 4.15Å; V259-F261 HydrophobicContact CB-CE2 4.36Å; V259-F261 HydrophobicContact CG1-CD2 4.38Å; V259-F261 HydrophobicContact CG1-CE1 4.28Å; V259-F261 HydrophobicContact CG1-CE2 3.75Å; V259-F261 HydrophobicContact CG1-CZ 3.69Å
260	Y	83.5	Confident	87.5	Confident	67 Å²	67	41.2 Å²	41.2	26%	0.263	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	132.7	179.9	-44.9	-84.2	0	0	0	108.7	R199 V240 T241 E258	R199-Y260 HydrophobicContact CB-CD1 4.31Å; R199-Y260 HydrophobicContact CB-CE1 4.2Å; R199-Y260 HydrophobicContact CG-CD1 3.92Å; R199-Y260 HydrophobicContact CG-CE1 3.72Å; V240-Y260 WeakPolarHBondContact CA-O 3.39Å; T241-Y260 PolarHBondContact N-O 3.37Å; T241-Y260 PolarHBondContact O-N 2.98Å; E258-Y260 HydrophobicContact CB-CE1 4.13Å; E258-Y260 HydrophobicContact CB-CE2 4.2Å; E258-Y260 VanDerWaalsContact OE2-CZ 3.32Å; E258-Y260 PolarHBondContact OE2-OH 3.24Å
261	F	83.2	Confident	87.3	Confident	1 Å²	1	43.1 Å²	43.1	0%	0.004	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	98.2	171.6	-47.4	-102.5	0	0	0	107.5	F197 Y209 V233 V240 V259 V264	F197-F261 HydrophobicContact CB-CB 3.79Å; F197-F261 HydrophobicContact CB-CD2 3.71Å; F197-F261 HydrophobicContact CB-CG 4.21Å; F197-F261 HydrophobicContact CD1-CD2 4.08Å; F197-F261 HydrophobicContact CD2-CB 3.94Å; F197-F261 AromaticContact CD2-CD2 3.33Å; F197-F261 HydrophobicContact CD2-CD2 3.33Å; F197-F261 HydrophobicContact CD2-CE2 4.04Å; F197-F261 AromaticContact CD2-CG 3.82Å; F197-F261 HydrophobicContact CD2-CG 3.82Å; F197-F261 AromaticContact CE2-CD2 3.93Å; F197-F261 HydrophobicContact CE2-CD2 3.93Å; F197-F261 HydrophobicContact CE2-CE2 4.19Å; F197-F261 HydrophobicContact CG-CB 4.2Å; F197-F261 AromaticContact CG-CD2 3.43Å; F197-F261 HydrophobicContact CG-CD2 3.43Å; F197-F261 VanDerWaalsContact CG-CD2 3.43Å; F197-F261 HydrophobicContact CG-CE2 4.21Å; F197-F261 HydrophobicContact CG-CG 4.18Å; F197-F261 PolarHBondContact N-O 3.18Å; Y209-F261 HydrophobicContact CD1-CZ 4.31Å; Y209-F261 HydrophobicContact CD2-CE1 4.33Å; Y209-F261 HydrophobicContact CG-CE1 4.1Å; Y209-F261 HydrophobicContact CG-CZ 4.01Å; V233-F261 HydrophobicContact CB-CE1 4.06Å; V233-F261 HydrophobicContact CG1-CD1 3.96Å; V233-F261 HydrophobicContact CG1-CE1 3.88Å; V240-F261 HydrophobicContact CG1-CD1 4.24Å; V240-F261 HydrophobicContact CG1-CE1 4.11Å; V240-F261 HydrophobicContact CG2-CD1 3.84Å; V240-F261 HydrophobicContact CG2-CE1 4.24Å; V259-F261 HydrophobicContact CB-CE2 4.36Å; V259-F261 HydrophobicContact CG1-CD2 4.38Å; V259-F261 HydrophobicContact CG1-CE1 4.28Å; V259-F261 HydrophobicContact CG1-CE2 3.75Å; V259-F261 HydrophobicContact CG1-CZ 3.69Å; F261-V264 HydrophobicContact CB-CB 4.46Å; F261-V264 HydrophobicContact CB-CG2 3.62Å; F261-V264 HydrophobicContact CD1-CG2 4.28Å; F261-V264 HydrophobicContact CG-CG2 4.48Å
262	D	83.9	Confident	87.2	Confident	104 Å²	104	42.5 Å²	42.5	56%	0.556	22%	0.22	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-100	109.7	178.3	-175.7	10.7	0	0	0	109.9	G239 V264	G239-D262 WeakPolarHBondContact CA-O 3.49Å; G239-D262 PolarHBondContact O-N 2.9Å; D262-V264 PolarHBondContact O-N 3.32Å; D262-V264 VanDerWaalsContact O-N 3.12Å
263	N	83.1	Confident	87.1	Confident	81 Å²	81	41 Å²	41	43%	0.433	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	50.7	38	177.4	-70.2	-68.3	0	0	0	114.2	I194 L195 H196 K265	I194-N263 HydrophobicContact CG2-CB 4Å; I194-N263 WeakPolarHBondContact CG2-OD1 3.42Å; L195-N263 WeakPolarHBondContact O-CA 3.48Å; L195-N263 PolarHBondContact O-N 3Å; H196-N263 PolarHBondContact NE2-OD1 2.75Å; H196-N263 VanDerWaalsContact NE2-OD1 3.1Å; N263-K265 PolarHBondContact O-N 3.41Å
264	V	83.7	Confident	87	Confident	1 Å²	1	47.8 Å²	47.8	1%	0.006	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	119.7	-177.3	-174.9	0	0	0	0	109	L195 V233 F237 G238 V240 F261 D262 V266	L195-V264 HydrophobicContact CB-CB 4.29Å; L195-V264 PolarHBondContact N-O 3.15Å; L195-V264 PolarHBondContact O-N 3.31Å; V233-V264 HydrophobicContact CG1-CG1 3.98Å; F237-V264 HydrophobicContact CB-CG1 3.88Å; G238-V264 WeakPolarHBondContact O-CG1 3.5Å; G238-V264 WeakPolarHBondContact O-CG2 3.36Å; V240-V264 HydrophobicContact CG2-CG1 4.07Å; V240-V264 HydrophobicContact CG2-CG2 3.79Å; F261-V264 HydrophobicContact CB-CB 4.46Å; F261-V264 HydrophobicContact CB-CG2 3.62Å; F261-V264 HydrophobicContact CD1-CG2 4.28Å; F261-V264 HydrophobicContact CG-CG2 4.48Å; D262-V264 PolarHBondContact O-N 3.32Å; D262-V264 VanDerWaalsContact O-N 3.12Å; V264-V266 HydrophobicContact CB-CG2 4.44Å; V264-V266 HydrophobicContact CG1-CG2 3.8Å; V264-V266 PolarHBondContact O-N 3.49Å
265	K	82.2	Confident	86.9	Confident	151 Å²	151	52.4 Å²	52.4	66%	0.657	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	114.4	172.2	-66.6	-177.1	-178.7	-179	0	108.5	E193 N263	E193-K265 WeakPolarHBondContact O-CA 2.95Å; N263-K265 PolarHBondContact O-N 3.41Å
266	V	84.4	Confident	87	Confident	11 Å²	11	51.5 Å²	51.5	7%	0.067	27%	0.273	C	S	.	.			trans	-110.9	118.5	-178.3	177.4	0	0	0	0	109.4	E193 L195 F231 V233 F237 V264 C270	E193-V266 PolarHBondContact O-N 2.97Å; E193-V266 VanDerWaalsContact O-N 3.12Å; L195-V266 HydrophobicContact CD1-CB 4.28Å; L195-V266 HydrophobicContact CD1-CG2 3.33Å; L195-V266 HydrophobicContact CG-CB 4.3Å; L195-V266 HydrophobicContact CG-CG2 3.66Å; F231-V266 HydrophobicContact CD1-CG1 4.18Å; V233-V266 HydrophobicContact CG1-CG2 4.05Å; V233-V266 HydrophobicContact CG2-CG1 4.5Å; V233-V266 HydrophobicContact CG2-CG2 4Å; F237-V266 HydrophobicContact CD2-CG2 4.23Å; F237-V266 HydrophobicContact CE2-CG1 4.46Å; V264-V266 HydrophobicContact CB-CG2 4.44Å; V264-V266 HydrophobicContact CG1-CG2 3.8Å; V264-V266 PolarHBondContact O-N 3.49Å; V266-C270 HydrophobicContact CG1-CB 3.58Å
267	P	86.4	Confident	87.1	Confident	55 Å²	55	53.1 Å²	53.1	36%	0.357	28%	0.278	S	S	.	.			trans	-53.9	144.3	173.4	-30.4	39.3	0	0	0	112.8	F237 D269 C270	F237-P267 HydrophobicContact CE1-CG 4.33Å; F237-P267 HydrophobicContact CE2-CG 4.49Å; F237-P267 HydrophobicContact CZ-CG 4.08Å; P267-D269 WeakPolarHBondContact CB-OD1 3.41Å; P267-D269 PolarHBondContact O-N 3.12Å; P267-C270 VanDerWaalsContact O-CB 3.26Å; P267-C270 WeakPolarHBondContact O-CB 3.18Å; P267-C270 PolarHBondContact O-N 3.4Å
268	V	84.4	Confident	87.4	Confident	112 Å²	112	53.1 Å²	53.1	68%	0.679	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-61.3	-30.4	-178.7	-179.6	0	0	0	0	111.9	C270 L271	V268-C270 PolarHBondContact O-N 2.9Å; V268-C270 VanDerWaalsContact O-N 3.16Å; V268-L271 WeakPolarHBondContact O-CB 3.25Å; V268-L271 PolarHBondContact O-N 3.22Å
269	D	88	Confident	87.6	Confident	95 Å²	95	55.3 Å²	55.3	51%	0.508	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-70	-3.2	176.3	74.3	-23.6	0	0	0	113.7	Q155 P267	Q155-D269 PolarHBondContact NE2-O 2.92Å; P267-D269 WeakPolarHBondContact CB-OD1 3.41Å; P267-D269 PolarHBondContact O-N 3.12Å
270	C	91.1	Very high	88	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-89.2	-4.2	172.8	-63	0	0	0	0	113.1	F231 F232 V266 P267 V268 I272	F231-C270 WeakPolarHBondContact CA-O 3.42Å; F232-C270 PolarHBondContact N-O 3.22Å; F232-C270 WeakPolarHBondContact O-CB 3.33Å; V266-C270 HydrophobicContact CG1-CB 3.58Å; P267-C270 VanDerWaalsContact O-CB 3.26Å; P267-C270 WeakPolarHBondContact O-CB 3.18Å; P267-C270 PolarHBondContact O-N 3.4Å; V268-C270 PolarHBondContact O-N 2.9Å; V268-C270 VanDerWaalsContact O-N 3.16Å; C270-I272 PolarHBondContact O-N 2.84Å
271	L	92.1	Very high	88.4	Confident	42 Å²	42	57.6 Å²	57.6	22%	0.22	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	127.6	172.7	-179.7	71.9	0	0	0	110.3	Q155 F231 V268 E275	Q155-L271 PolarHBondContact NE2-O 3.05Å; F231-L271 HydrophobicContact CD1-CB 4.44Å; F231-L271 HydrophobicContact CD1-CD1 4.33Å; F231-L271 HydrophobicContact CE1-CB 4.29Å; F231-L271 HydrophobicContact CE1-CD1 3.85Å; F231-L271 HydrophobicContact CZ-CD1 4.01Å; V268-L271 WeakPolarHBondContact O-CB 3.25Å; V268-L271 PolarHBondContact O-N 3.22Å; L271-E275 HydrophobicContact CD2-CB 4.32Å
272	I	92.8	Very high	88.8	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	119.8	176.6	-55.1	178.4	0	0	0	108.8	I147 Q210 A230 F232 C270 V281	I147-I272 HydrophobicContact CD1-CD1 4.14Å; I147-I272 HydrophobicContact CD1-CG1 4.02Å; I147-I272 HydrophobicContact CG1-CD1 4.49Å; Q210-I272 HydrophobicContact CG-CD1 3.85Å; A230-I272 HydrophobicContact CB-CB 4.11Å; A230-I272 PolarHBondContact O-N 3.22Å; F232-I272 HydrophobicContact CB-CD1 3.88Å; F232-I272 HydrophobicContact CB-CG1 4.12Å; F232-I272 HydrophobicContact CD2-CD1 4.14Å; F232-I272 HydrophobicContact CG-CD1 4.47Å; C270-I272 PolarHBondContact O-N 2.84Å; I272-V281 HydrophobicContact CG2-CG1 4.12Å
273	G	93.3	Very high	89.2	Confident	32 Å²	32	54.9 Å²	54.9	33%	0.33	28%	0.283	S	S	.	.	S	Bend	trans	72	-137.5	-177.6	0	0	0	0	0	111.9
274	K	92	Very high	89.6	Confident	143 Å²	143	53.1 Å²	53.1	62%	0.622	27%	0.274	S	S	*	.	S	Bend	trans	-106	148	-177	-66.7	-176.7	-179.2	179.8	0	111.6	G276 E277	K274-G276 PolarHBondContact O-N 3.13Å; K274-E277 HydrophobicContact CB-CB 4.32Å; K274-E277 HydrophobicContact CB-CG 4.17Å; K274-E277 PolarHBondContact O-N 3.14Å; K274-E277 VanDerWaalsContact O-N 3.09Å
275	E	89.5	Confident	90.1	Very high	97 Å²	97	53 Å²	53	45%	0.453	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	131.6	172.7	-160.6	-170.4	161.1	0	0	110.5	T215 V217 L271 E277	T215-E275 HydrophobicContact CG2-CG 3.98Å; V217-E275 HydrophobicContact CG2-CG 3.81Å; L271-E275 HydrophobicContact CD2-CB 4.32Å; E275-E277 VanDerWaalsContact C-N 3.27Å; E275-E277 PolarHBondContact O-N 3.24Å
276	G	90.2	Very high	90.7	Very high	19 Å²	19	46.4 Å²	46.4	20%	0.196	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	1.3	-177.7	0	0	0	0	0	116	I228 S229 K274	I228-G276 CarbonylContact O-C 3.56Å; I228-G276 WeakPolarHBondContact O-CA 3.19Å; S229-G276 PolarHBondContact OG-N 2.67Å; K274-G276 PolarHBondContact O-N 3.13Å
277	E	92	Very high	91.1	Very high	66 Å²	66	46.3 Å²	46.3	31%	0.308	24%	0.244	S	C	.	.			trans	-103.3	11	174.2	-68	-163.9	-152.5	0	0	113.6	I228 K274 E275 F279 K280 V281	I228-E277 PolarHBondContact O-N 3.02Å; K274-E277 HydrophobicContact CB-CB 4.32Å; K274-E277 HydrophobicContact CB-CG 4.17Å; K274-E277 PolarHBondContact O-N 3.14Å; K274-E277 VanDerWaalsContact O-N 3.09Å; E275-E277 VanDerWaalsContact C-N 3.27Å; E275-E277 PolarHBondContact O-N 3.24Å; E277-F279 VanDerWaalsContact C-N 3.35Å; E277-F279 PolarHBondContact O-N 3.13Å; E277-K280 WeakPolarHBondContact O-CB 3.4Å; E277-K280 PolarHBondContact O-N 2.94Å; E277-K280 VanDerWaalsContact O-N 3.09Å; E277-K280 IonicContact OE2-NZ 2.73Å; E277-K280 PolarHBondContact OE2-NZ 3.3Å; E277-V281 WeakPolarHBondContact O-CG2 3.45Å; E277-V281 PolarHBondContact O-N 2.99Å
278	G	90.7	Very high	91.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-58.7	-38.6	-175.8	0	0	0	0	0	114.4	I228 K280 V281 A282	I228-G278 WeakPolarHBondContact O-CA 3.12Å; I228-G278 PolarHBondContact O-N 3.21Å; G278-K280 VanDerWaalsContact C-N 3.35Å; G278-K280 PolarHBondContact O-N 3.46Å; G278-V281 WeakPolarHBondContact O-CB 3.41Å; G278-V281 PolarHBondContact O-N 2.71Å; G278-A282 PolarHBondContact O-N 3.32Å
279	F	89.3	Confident	91.7	Very high	83 Å²	83	39.3 Å²	39.3	36%	0.364	20%	0.2	S	C	.	.	H	α-helix	trans	-64	-40.9	175.9	-174.5	-106	0	0	0	112	A183 I228 E277 A282 M283	A183-F279 HydrophobicContact CB-CE2 4.35Å; I228-F279 HydrophobicContact CB-CB 4.22Å; I228-F279 HydrophobicContact CD1-CB 4.1Å; I228-F279 HydrophobicContact CD1-CD2 4.25Å; I228-F279 HydrophobicContact CG2-CB 4.41Å; E277-F279 VanDerWaalsContact C-N 3.35Å; E277-F279 PolarHBondContact O-N 3.13Å; F279-A282 PolarHBondContact O-N 2.9Å; F279-M283 HydrophobicContact CD1-CG 4.14Å; F279-M283 HydrophobicContact CD2-CE 4.43Å; F279-M283 HydrophobicContact CE1-CG 3.75Å; F279-M283 HydrophobicContact CE1-SD 4.43Å; F279-M283 HydrophobicContact CE2-CE 3.81Å; F279-M283 HydrophobicContact CE2-CG 4.37Å; F279-M283 HydrophobicContact CE2-SD 4.43Å; F279-M283 HydrophobicContact CZ-CE 4Å; F279-M283 HydrophobicContact CZ-CG 3.88Å; F279-M283 HydrophobicContact CZ-SD 4Å; F279-M283 WeakPolarHBondContact O-CG 3.35Å; F279-M283 PolarHBondContact O-N 3.34Å
280	K	91.5	Very high	92.1	Very high	112 Å²	112	35.3 Å²	35.3	49%	0.487	18%	0.178	S	C	.	.	H	α-helix	trans	-65.1	-40.6	175.2	176.9	-174.9	167.8	-162.7	0	111.1	E277 G278 M283 N284	E277-K280 WeakPolarHBondContact O-CB 3.4Å; E277-K280 PolarHBondContact O-N 2.94Å; E277-K280 VanDerWaalsContact O-N 3.09Å; E277-K280 IonicContact OE2-NZ 2.73Å; E277-K280 PolarHBondContact OE2-NZ 3.3Å; G278-K280 VanDerWaalsContact C-N 3.35Å; G278-K280 PolarHBondContact O-N 3.46Å; K280-M283 PolarHBondContact O-N 3.46Å; K280-N284 WeakPolarHBondContact O-CB 3.33Å; K280-N284 VanDerWaalsContact O-CG 3.29Å; K280-N284 PolarHBondContact O-N 3.11Å; K280-N284 PolarHBondContact O-ND2 3.3Å
281	V	93.1	Very high	92.1	Very high	4 Å²	4	35.4 Å²	35.4	2%	0.024	18%	0.178	C	C	.	.	H	α-helix	trans	-57.9	-51.1	172.4	170.4	0	0	0	0	110.2	Y150 A230 I272 E277 G278 M283 N284 I285	Y150-V281 HydrophobicContact CD1-CG2 4.43Å; Y150-V281 HydrophobicContact CD2-CB 4.4Å; Y150-V281 HydrophobicContact CD2-CG1 3.79Å; Y150-V281 HydrophobicContact CD2-CG2 4.09Å; Y150-V281 HydrophobicContact CE2-CB 4.37Å; Y150-V281 HydrophobicContact CE2-CG1 4.06Å; Y150-V281 HydrophobicContact CE2-CG2 4.23Å; Y150-V281 HydrophobicContact CG-CG2 4.21Å; A230-V281 HydrophobicContact CB-CB 4.19Å; A230-V281 HydrophobicContact CB-CG1 3.95Å; I272-V281 HydrophobicContact CG2-CG1 4.12Å; E277-V281 WeakPolarHBondContact O-CG2 3.45Å; E277-V281 PolarHBondContact O-N 2.99Å; G278-V281 WeakPolarHBondContact O-CB 3.41Å; G278-V281 PolarHBondContact O-N 2.71Å; V281-M283 PolarHBondContact O-N 2.56Å; V281-N284 PolarHBondContact O-N 2.76Å; V281-I285 HydrophobicContact CG1-CD1 3.65Å; V281-I285 HydrophobicContact CG1-CG1 4.48Å; V281-I285 WeakPolarHBondContact O-CB 3.49Å; V281-I285 WeakPolarHBondContact O-CD1 3.45Å; V281-I285 WeakPolarHBondContact O-CG1 3.38Å; V281-I285 PolarHBondContact O-N 3.15Å
282	A	91.1	Very high	92.3	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.008	17%	0.171	C	C	.	.	H	α-helix	trans	-58.8	-45.8	178	0	0	0	0	0	112.6	F172 L174 G278 F279 N284 I285 L286	F172-A282 HydrophobicContact CZ-CB 4.23Å; L174-A282 HydrophobicContact CD1-CB 4.18Å; G278-A282 PolarHBondContact O-N 3.32Å; F279-A282 PolarHBondContact O-N 2.9Å; A282-N284 PolarHBondContact O-N 2.73Å; A282-I285 WeakPolarHBondContact O-CB 3.24Å; A282-I285 PolarHBondContact O-N 3.46Å; A282-L286 WeakPolarHBondContact O-CG 3.33Å; A282-L286 PolarHBondContact O-N 3.29Å
283	M	91.6	Very high	92.5	Very high	47 Å²	47	34.1 Å²	34.1	23%	0.232	17%	0.173	C	C	.	.	H	α-helix	trans	-63.7	-41.3	177.8	-71	-55.2	103.2	0	0	112.1	F279 K280 V281 I285 L286 N287	F279-M283 HydrophobicContact CD1-CG 4.14Å; F279-M283 HydrophobicContact CD2-CE 4.43Å; F279-M283 HydrophobicContact CE1-CG 3.75Å; F279-M283 HydrophobicContact CE1-SD 4.43Å; F279-M283 HydrophobicContact CE2-CE 3.81Å; F279-M283 HydrophobicContact CE2-CG 4.37Å; F279-M283 HydrophobicContact CE2-SD 4.43Å; F279-M283 HydrophobicContact CZ-CE 4Å; F279-M283 HydrophobicContact CZ-CG 3.88Å; F279-M283 HydrophobicContact CZ-SD 4Å; F279-M283 WeakPolarHBondContact O-CG 3.35Å; F279-M283 PolarHBondContact O-N 3.34Å; K280-M283 PolarHBondContact O-N 3.46Å; V281-M283 PolarHBondContact O-N 2.56Å; M283-I285 VanDerWaalsContact C-N 3.32Å; M283-I285 PolarHBondContact O-N 3.32Å; M283-L286 HydrophobicContact CE-CD1 3.64Å; M283-L286 PolarHBondContact O-N 2.69Å; M283-L286 HydrophobicContact SD-CD1 4.49Å; M283-N287 VanDerWaalsContact O-CB 3.32Å; M283-N287 WeakPolarHBondContact O-CB 3.38Å; M283-N287 PolarHBondContact O-N 3.39Å; M283-N287 PolarHBondContact O-ND2 2.95Å; M283-N287 VanDerWaalsContact O-ND2 3.08Å
284	N	92.9	Very high	92.7	Very high	44 Å²	44	32.6 Å²	32.6	24%	0.235	16%	0.157	C	C	.	.	H	α-helix	trans	-67.7	-34	177.3	-74	-15.9	0	0	0	112.2	Y150 K280 V281 A282 N288	Y150-N284 HydrophobicContact CE2-CB 4.32Å; Y150-N284 WeakPolarHBondContact OH-CB 3.42Å; Y150-N284 PolarHBondContact OH-ND2 2.87Å; K280-N284 WeakPolarHBondContact O-CB 3.33Å; K280-N284 VanDerWaalsContact O-CG 3.29Å; K280-N284 PolarHBondContact O-N 3.11Å; K280-N284 PolarHBondContact O-ND2 3.3Å; V281-N284 PolarHBondContact O-N 2.76Å; A282-N284 PolarHBondContact O-N 2.73Å; N284-N288 WeakPolarHBondContact O-CB 3.32Å; N284-N288 PolarHBondContact O-N 3.28Å
285	I	94.2	Very high	93	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-63.5	-50.4	173	-72.8	167.5	0	0	0	110.7	I142 K145 L149 V281 A282 M283 N287 N288 G289	I142-I285 HydrophobicContact CB-CG2 4.1Å; I142-I285 HydrophobicContact CG2-CG2 4.05Å; K145-I285 HydrophobicContact CB-CG1 4.32Å; K145-I285 HydrophobicContact CB-CG2 3.91Å; K145-I285 HydrophobicContact CG-CG1 4.33Å; K145-I285 HydrophobicContact CG-CG2 4.21Å; L149-I285 HydrophobicContact CD1-CG1 4.25Å; V281-I285 HydrophobicContact CG1-CD1 3.65Å; V281-I285 HydrophobicContact CG1-CG1 4.48Å; V281-I285 WeakPolarHBondContact O-CB 3.49Å; V281-I285 WeakPolarHBondContact O-CD1 3.45Å; V281-I285 WeakPolarHBondContact O-CG1 3.38Å; V281-I285 PolarHBondContact O-N 3.15Å; A282-I285 WeakPolarHBondContact O-CB 3.24Å; A282-I285 PolarHBondContact O-N 3.46Å; M283-I285 VanDerWaalsContact C-N 3.32Å; M283-I285 PolarHBondContact O-N 3.32Å; I285-N287 PolarHBondContact O-N 3Å; I285-N288 CarbonylContact O-C 3.59Å; I285-N288 PolarHBondContact O-N 2.86Å; I285-G289 PolarHBondContact O-N 2.99Å
286	L	93.7	Very high	93.4	Very high	11 Å²	11	21.6 Å²	21.6	6%	0.058	11%	0.11	C	C	.	.	H	α-helix	trans	-61.4	-46.1	177.2	-69	172.3	0	0	0	111.9	I142 F172 L174 A282 M283 N288 G289 R290 E411	I142-L286 HydrophobicContact CG2-CD2 4.08Å; F172-L286 HydrophobicContact CE1-CD2 4.16Å; F172-L286 HydrophobicContact CE1-CG 4.49Å; L174-L286 HydrophobicContact CD2-CD1 4.16Å; A282-L286 WeakPolarHBondContact O-CG 3.33Å; A282-L286 PolarHBondContact O-N 3.29Å; M283-L286 HydrophobicContact CE-CD1 3.64Å; M283-L286 PolarHBondContact O-N 2.69Å; M283-L286 HydrophobicContact SD-CD1 4.49Å; L286-N288 VanDerWaalsContact C-N 3.28Å; L286-N288 PolarHBondContact O-N 3.26Å; L286-G289 PolarHBondContact O-N 3.47Å; L286-G289 VanDerWaalsContact O-N 3.13Å; L286-R290 VanDerWaalsContact O-CG 3.23Å; L286-R290 WeakPolarHBondContact O-CG 3.18Å; L286-R290 PolarHBondContact O-N 3.04Å; L286-E411 HydrophobicContact CD2-CB 4.21Å; L286-E411 HydrophobicContact CD2-CG 3.7Å
287	N	92.5	Very high	93.8	Very high	9 Å²	9	20.7 Å²	20.7	5%	0.048	10%	0.101	C	C	.	.	H	α-helix	trans	-59.9	-40.4	177.2	-72.4	-31.6	0	0	0	111.7	M283 I285 R290 F360 Q361	M283-N287 VanDerWaalsContact O-CB 3.32Å; M283-N287 WeakPolarHBondContact O-CB 3.38Å; M283-N287 PolarHBondContact O-N 3.39Å; M283-N287 PolarHBondContact O-ND2 2.95Å; M283-N287 VanDerWaalsContact O-ND2 3.08Å; I285-N287 PolarHBondContact O-N 3Å; N287-R290 PolarHBondContact OD1-NH1 2.86Å; N287-F360 HydrophobicContact CB-CE2 4.36Å; N287-Q361 HydrophobicContact CB-CB 4.45Å; N287-Q361 HydrophobicContact CB-CG 4.06Å; N287-Q361 VanDerWaalsContact ND2-CG 3.31Å; N287-Q361 WeakPolarHBondContact ND2-CG 3.46Å
288	N	92.9	Very high	94.1	Very high	19 Å²	19	17.6 Å²	17.6	10%	0.102	9%	0.086	C	C	.	.	H	α-helix	trans	-73.5	-27.3	176.7	-163	-79	0	0	0	112.6	K145 L149 N284 I285 L286 F291 M353 F360	K145-N288 WeakPolarHBondContact CE-OD1 3.45Å; K145-N288 PolarHBondContact NZ-OD1 3.34Å; L149-N288 HydrophobicContact CD1-CB 4.29Å; N284-N288 WeakPolarHBondContact O-CB 3.32Å; N284-N288 PolarHBondContact O-N 3.28Å; I285-N288 CarbonylContact O-C 3.59Å; I285-N288 PolarHBondContact O-N 2.86Å; L286-N288 VanDerWaalsContact C-N 3.28Å; L286-N288 PolarHBondContact O-N 3.26Å; N288-F291 WeakPolarHBondContact O-CD1 3.37Å; N288-F291 WeakPolarHBondContact O-CE1 3.02Å; N288-M353 VanDerWaalsContact ND2-CE 3.34Å; N288-M353 WeakPolarHBondContact ND2-CE 3.38Å; N288-F360 HydrophobicContact CB-CZ 4.49Å
289	G	91.6	Very high	94.4	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.01	9%	0.086	C	C	.	.	H	α-helix	trans	-79.2	-35.4	178.4	0	0	0	0	0	114.3	I285 L286 F291 G292	I285-G289 PolarHBondContact O-N 2.99Å; L286-G289 PolarHBondContact O-N 3.47Å; L286-G289 VanDerWaalsContact O-N 3.13Å; G289-F291 VanDerWaalsContact C-N 3.26Å; G289-F291 PolarHBondContact O-N 2.88Å; G289-G292 PolarHBondContact O-N 3.14Å
290	R	95.2	Very high	94.9	Very high	12 Å²	12	13.8 Å²	13.8	5%	0.045	7%	0.069	C	C	.	.	H	α-helix	trans	-56.6	-27.7	-171.1	-82.3	169.2	-174.2	152.5	6.9	115.9	L286 N287 G292 I293 A364 K368 E411 L417	L286-R290 VanDerWaalsContact O-CG 3.23Å; L286-R290 WeakPolarHBondContact O-CG 3.18Å; L286-R290 PolarHBondContact O-N 3.04Å; N287-R290 PolarHBondContact OD1-NH1 2.86Å; R290-G292 PolarHBondContact O-N 3.11Å; R290-I293 HydrophobicContact CG-CD1 4.41Å; R290-I293 WeakPolarHBondContact O-CB 3.23Å; R290-I293 PolarHBondContact O-N 3.36Å; R290-I293 VanDerWaalsContact O-N 3.11Å; R290-A364 HydrophobicContact CB-CB 4.15Å; R290-K368 HydrophobicContact CB-CB 4.47Å; R290-K368 HydrophobicContact CG-CB 4.41Å; R290-K368 HydrophobicContact CG-CG 4.31Å; R290-E411 PolarHBondContact NE-O 3.27Å; R290-E411 PolarHBondContact NH2-O 3.12Å; R290-L417 VanDerWaalsContact CZ-CD2 3.42Å
291	F	93.1	Very high	95.2	Very high	1 Å²	1	8.5 Å²	8.5	0%	0.004	5%	0.047	C	C	.	.	H	α-helix	trans	-63.7	-29.2	176.9	83.3	-88.1	0	0	0	112.1	N115 Y118 T119 N288 G289 I293 A294 A295 I349 M353	N115-F291 HydrophobicContact CB-CE1 4.47Å; N115-F291 HydrophobicContact CB-CE2 3.94Å; N115-F291 HydrophobicContact CB-CZ 3.79Å; N115-F291 WeakPolarHBondContact O-CE2 3.33Å; Y118-F291 HydrophobicContact CD1-CE1 4.48Å; Y118-F291 AromaticContact CD1-CE2 3.56Å; Y118-F291 HydrophobicContact CD1-CE2 3.56Å; Y118-F291 AromaticContact CD1-CZ 3.41Å; Y118-F291 HydrophobicContact CD1-CZ 3.41Å; Y118-F291 VanDerWaalsContact CD1-CZ 3.41Å; Y118-F291 HydrophobicContact CE1-CE2 4.21Å; Y118-F291 AromaticContact CE1-CZ 3.91Å; Y118-F291 HydrophobicContact CE1-CZ 3.91Å; Y118-F291 HydrophobicContact CG-CZ 4.32Å; T119-F291 VanDerWaalsContact OG1-CD2 3.3Å; T119-F291 WeakPolarHBondContact OG1-CD2 3.33Å; T119-F291 VanDerWaalsContact OG1-CE2 3.25Å; T119-F291 WeakPolarHBondContact OG1-CE2 3.43Å; N288-F291 WeakPolarHBondContact O-CD1 3.37Å; N288-F291 WeakPolarHBondContact O-CE1 3.02Å; G289-F291 VanDerWaalsContact C-N 3.26Å; G289-F291 PolarHBondContact O-N 2.88Å; F291-I293 VanDerWaalsContact C-N 3.29Å; F291-I293 PolarHBondContact O-N 3.43Å; F291-A294 PolarHBondContact O-N 2.84Å; F291-A295 PolarHBondContact O-N 3.28Å; F291-I349 HydrophobicContact CB-CB 4.29Å; F291-I349 HydrophobicContact CB-CG2 3.52Å; F291-I349 HydrophobicContact CG-CG2 4.46Å; F291-M353 HydrophobicContact CB-SD 4.22Å; F291-M353 HydrophobicContact CD1-CE 3.65Å; F291-M353 HydrophobicContact CD1-SD 3.49Å; F291-M353 WeakPolarHBondContact CD1-SD 3.45Å; F291-M353 HydrophobicContact CE1-CE 3.65Å; F291-M353 HydrophobicContact CE1-SD 4.01Å; F291-M353 HydrophobicContact CG-SD 3.88Å
292	G	95	Very high	95.4	Very high	6 Å²	6	12 Å²	12	6%	0.062	6%	0.062	C	C	.	.	H	α-helix	trans	-64.7	-32.1	174.7	0	0	0	0	0	112.7	V122 G289 R290 A295 A296	V122-G292 VanDerWaalsContact CG1-O 3.29Å; V122-G292 WeakPolarHBondContact CG1-O 3.43Å; G289-G292 PolarHBondContact O-N 3.14Å; R290-G292 PolarHBondContact O-N 3.11Å; G292-A295 WeakPolarHBondContact O-CB 3.32Å; G292-A295 PolarHBondContact O-N 3.34Å; G292-A296 PolarHBondContact O-N 3.01Å
293	I	97.6	Very high	95.8	Very high	9 Å²	9	15.3 Å²	15.3	5%	0.046	8%	0.076	C	C	.	.	H	α-helix	trans	-63.1	-46.4	175.8	-61.2	174.2	0	0	0	110	R290 F291 A295 A296 M297 K368 V407 Y410 E411	R290-I293 HydrophobicContact CG-CD1 4.41Å; R290-I293 WeakPolarHBondContact O-CB 3.23Å; R290-I293 PolarHBondContact O-N 3.36Å; R290-I293 VanDerWaalsContact O-N 3.11Å; F291-I293 VanDerWaalsContact C-N 3.29Å; F291-I293 PolarHBondContact O-N 3.43Å; I293-A295 PolarHBondContact O-N 3.34Å; I293-A296 PolarHBondContact O-N 2.93Å; I293-M297 HydrophobicContact CG2-CG 4.16Å; I293-M297 WeakPolarHBondContact O-CB 3.46Å; I293-M297 WeakPolarHBondContact O-CG 3.31Å; I293-M297 PolarHBondContact O-N 3.44Å; I293-K368 HydrophobicContact CB-CG 4.49Å; I293-K368 HydrophobicContact CD1-CG 3.86Å; I293-K368 HydrophobicContact CG2-CG 4.27Å; I293-V407 HydrophobicContact CG2-CG1 3.49Å; I293-V407 VanDerWaalsContact CG2-CG1 3.49Å; I293-Y410 HydrophobicContact CD1-CE2 4.08Å; I293-E411 HydrophobicContact CD1-CB 3.99Å; I293-E411 HydrophobicContact CD1-CG 4.43Å
294	A	98	Very high	96.1	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-60.1	-37.8	177.9	0	0	0	0	0	112.2	F291 S298 A346 S371	F291-A294 PolarHBondContact O-N 2.84Å; A294-S298 WeakPolarHBondContact O-CB 3.38Å; A294-S298 PolarHBondContact O-N 2.88Å; A294-A346 HydrophobicContact CB-CB 3.83Å; A294-S371 WeakPolarHBondContact CA-OG 3.42Å
295	A	96.9	Very high	96.4	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.008	6%	0.058	C	C	.	.	H	α-helix	trans	-63.7	-50.8	175.1	0	0	0	0	0	112.3	T119 V122 E123 F291 G292 I293 M297 S298 G299 A346	T119-A295 HydrophobicContact CG2-CB 3.76Å; V122-A295 HydrophobicContact CB-CB 4.08Å; V122-A295 HydrophobicContact CG1-CB 3.99Å; E123-A295 WeakPolarHBondContact CA-O 3.36Å; F291-A295 PolarHBondContact O-N 3.28Å; G292-A295 WeakPolarHBondContact O-CB 3.32Å; G292-A295 PolarHBondContact O-N 3.34Å; I293-A295 PolarHBondContact O-N 3.34Å; A295-M297 VanDerWaalsContact C-N 3.31Å; A295-M297 PolarHBondContact O-N 3.35Å; A295-S298 WeakPolarHBondContact O-CB 3.46Å; A295-S298 PolarHBondContact O-N 2.86Å; A295-S298 VanDerWaalsContact O-N 3.16Å; A295-G299 PolarHBondContact O-N 2.9Å; A295-G299 VanDerWaalsContact O-N 3.1Å; A295-A346 HydrophobicContact CB-CB 4.37Å
296	A	97.9	Very high	96.6	Very high	8 Å²	8	17.6 Å²	17.6	7%	0.066	8%	0.083	C	C	.	.	H	α-helix	trans	-59	-45.2	179.3	0	0	0	0	0	111	V122 G292 I293 S298 G299 T300	V122-A296 HydrophobicContact CG1-CB 3.77Å; G292-A296 PolarHBondContact O-N 3.01Å; I293-A296 PolarHBondContact O-N 2.93Å; A296-S298 VanDerWaalsContact C-N 3.35Å; A296-S298 PolarHBondContact O-N 3.21Å; A296-G299 PolarHBondContact O-N 3.39Å; A296-G299 VanDerWaalsContact O-N 3.16Å; A296-T300 PolarHBondContact O-N 3.36Å; A296-T300 PolarHBondContact O-OG1 3.36Å; A296-T300 VanDerWaalsContact O-OG1 3.05Å
297	M	98.7	Very high	96.8	Very high	1 Å²	1	20 Å²	20	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-62.4	-39.6	177.2	-68.8	-52.8	93.3	0	0	112.4	L130 I293 A295 G299 T300 M301 T342 A375 L404 V407	L130-M297 HydrophobicContact CD1-CE 4.41Å; L130-M297 HydrophobicContact CD2-CE 3.57Å; I293-M297 HydrophobicContact CG2-CG 4.16Å; I293-M297 WeakPolarHBondContact O-CB 3.46Å; I293-M297 WeakPolarHBondContact O-CG 3.31Å; I293-M297 PolarHBondContact O-N 3.44Å; A295-M297 VanDerWaalsContact C-N 3.31Å; A295-M297 PolarHBondContact O-N 3.35Å; M297-G299 VanDerWaalsContact C-N 3.31Å; M297-G299 PolarHBondContact O-N 3.2Å; M297-T300 PolarHBondContact O-N 3.09Å; M297-M301 WeakPolarHBondContact O-CB 3.45Å; M297-M301 WeakPolarHBondContact O-CG 3.48Å; M297-M301 PolarHBondContact O-N 2.98Å; M297-T342 HydrophobicContact CB-CG2 4.43Å; M297-A375 HydrophobicContact CB-CB 3.98Å; M297-A375 HydrophobicContact CG-CB 4.12Å; M297-A375 HydrophobicContact SD-CB 3.53Å; M297-A375 VanDerWaalsContact SD-CB 3.53Å; M297-L404 HydrophobicContact CE-CD2 3.83Å; M297-L404 HydrophobicContact SD-CD2 3.3Å; M297-L404 WeakPolarHBondContact SD-CD2 3.2Å; M297-V407 HydrophobicContact CE-CG1 4.22Å; M297-V407 HydrophobicContact CE-CG2 3.88Å; M297-V407 HydrophobicContact CG-CG1 4.25Å; M297-V407 HydrophobicContact SD-CB 4.27Å; M297-V407 HydrophobicContact SD-CG1 3.84Å; M297-V407 HydrophobicContact SD-CG2 4.04Å
298	S	98.4	Very high	97.1	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-58	-45.2	173.4	-170.9	0	0	0	0	111.5	A294 A295 A296 M301 K302 H339 E343	A294-S298 WeakPolarHBondContact O-CB 3.38Å; A294-S298 PolarHBondContact O-N 2.88Å; A295-S298 WeakPolarHBondContact O-CB 3.46Å; A295-S298 PolarHBondContact O-N 2.86Å; A295-S298 VanDerWaalsContact O-N 3.16Å; A296-S298 VanDerWaalsContact C-N 3.35Å; A296-S298 PolarHBondContact O-N 3.21Å; S298-M301 PolarHBondContact O-N 3.1Å; S298-K302 PolarHBondContact O-N 2.96Å; S298-H339 PolarHBondContact O-CD2 3.05Å; S298-E343 WeakPolarHBondContact OG-CA 3.4Å; S298-E343 WeakPolarHBondContact OG-CB 3.43Å; S298-E343 WeakPolarHBondContact OG-CG 3.46Å
299	G	97.7	Very high	97.4	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-58.7	-50.4	175	0	0	0	0	0	112.9	E123 A127 A295 A296 M297 M301 K302 F303	E123-G299 WeakPolarHBondContact O-CA 2.82Å; A127-G299 WeakPolarHBondContact CA-O 3.37Å; A127-G299 WeakPolarHBondContact CB-O 3.02Å; A295-G299 PolarHBondContact O-N 2.9Å; A295-G299 VanDerWaalsContact O-N 3.1Å; A296-G299 PolarHBondContact O-N 3.39Å; A296-G299 VanDerWaalsContact O-N 3.16Å; M297-G299 VanDerWaalsContact C-N 3.31Å; M297-G299 PolarHBondContact O-N 3.2Å; G299-M301 VanDerWaalsContact C-N 3.33Å; G299-M301 PolarHBondContact O-N 2.91Å; G299-K302 WeakPolarHBondContact O-CB 3.29Å; G299-K302 PolarHBondContact O-N 3.35Å; G299-F303 PolarHBondContact O-N 3.43Å; G299-F303 VanDerWaalsContact O-N 3.08Å
300	T	98.7	Very high	97.7	Very high	3 Å²	3	24.7 Å²	24.7	2%	0.018	12%	0.118	C	C	.	.	H	α-helix	trans	-59.6	-43.4	178.1	-51	0	0	0	0	111.9	G126 L130 A296 M297 K302 F303 C304 V400 L404	G126-T300 WeakPolarHBondContact O-CA 3.03Å; G126-T300 PolarHBondContact O-N 2.6Å; G126-T300 PolarHBondContact O-OG1 2.91Å; L130-T300 HydrophobicContact CD1-CG2 4.11Å; L130-T300 WeakPolarHBondContact CD2-OG1 3.43Å; A296-T300 PolarHBondContact O-N 3.36Å; A296-T300 PolarHBondContact O-OG1 3.36Å; A296-T300 VanDerWaalsContact O-OG1 3.05Å; M297-T300 PolarHBondContact O-N 3.09Å; T300-K302 VanDerWaalsContact C-N 3.32Å; T300-K302 PolarHBondContact O-N 3.07Å; T300-F303 WeakPolarHBondContact O-CB 3.05Å; T300-F303 PolarHBondContact O-N 3.01Å; T300-C304 PolarHBondContact O-N 3.33Å; T300-C304 PolarHBondContact O-SG 2.65Å; T300-V400 HydrophobicContact CG2-CG1 3.43Å; T300-V400 VanDerWaalsContact CG2-CG1 3.43Å; T300-L404 HydrophobicContact CG2-CD1 4.15Å; T300-L404 HydrophobicContact CG2-CD2 4.15Å; T300-L404 HydrophobicContact CG2-CG 4.33Å
301	M	98.9	Very high	97.8	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-61.6	-41.1	177	-71.2	168.7	83	0	0	111.7	M297 S298 G299 F303 C304 I305 R338 H339 T342 A375 V378	M297-M301 WeakPolarHBondContact O-CB 3.45Å; M297-M301 WeakPolarHBondContact O-CG 3.48Å; M297-M301 PolarHBondContact O-N 2.98Å; S298-M301 PolarHBondContact O-N 3.1Å; G299-M301 VanDerWaalsContact C-N 3.33Å; G299-M301 PolarHBondContact O-N 2.91Å; M301-F303 VanDerWaalsContact C-N 3.34Å; M301-F303 PolarHBondContact O-N 3.28Å; M301-C304 PolarHBondContact O-N 2.89Å; M301-I305 WeakPolarHBondContact O-CB 3.22Å; M301-I305 WeakPolarHBondContact O-CD1 3.42Å; M301-I305 VanDerWaalsContact O-CG1 3.23Å; M301-I305 WeakPolarHBondContact O-CG1 3.35Å; M301-I305 PolarHBondContact O-N 2.94Å; M301-R338 VanDerWaalsContact CE-C 3.47Å; M301-R338 HydrophobicContact CE-CB 3.75Å; M301-H339 HydrophobicContact CB-CB 4.19Å; M301-H339 HydrophobicContact CE-CB 3.88Å; M301-T342 HydrophobicContact SD-CG2 3.88Å; M301-A375 HydrophobicContact CG-CB 3.83Å; M301-A375 HydrophobicContact SD-CB 4.18Å; M301-V378 HydrophobicContact CB-CG1 4.09Å; M301-V378 HydrophobicContact CE-CB 4.28Å; M301-V378 HydrophobicContact CE-CG2 3.5Å; M301-V378 VanDerWaalsContact CE-CG2 3.5Å; M301-V378 HydrophobicContact CG-CB 4.09Å; M301-V378 HydrophobicContact CG-CG1 4.18Å; M301-V378 HydrophobicContact CG-CG2 4.29Å
302	K	98	Very high	98.1	Very high	79 Å²	79	25.2 Å²	25.2	34%	0.343	12%	0.12	S	C	.	.	H	α-helix	trans	-61.9	-41.4	177.1	-170.1	170.5	-72.3	167.3	0	111.8	E123 S298 G299 T300 K306 H339 E343	E123-K302 IonicContact OE1-NZ 3.94Å; E123-K302 PolarHBondContact OE1-NZ 2.93Å; S298-K302 PolarHBondContact O-N 2.96Å; G299-K302 WeakPolarHBondContact O-CB 3.29Å; G299-K302 PolarHBondContact O-N 3.35Å; T300-K302 VanDerWaalsContact C-N 3.32Å; T300-K302 PolarHBondContact O-N 3.07Å; K302-K306 WeakPolarHBondContact O-CB 3.11Å; K302-K306 PolarHBondContact O-N 3.03Å; K302-H339 VanDerWaalsContact CE-CE1 3.49Å; K302-H339 WeakPolarHBondContact CE-CE1 3.23Å; K302-H339 VanDerWaalsContact CE-NE2 3.32Å; K302-H339 WeakPolarHBondContact CE-NE2 3.41Å; K302-E343 IonicContact NZ-OE1 3.9Å; K302-E343 PolarHBondContact NZ-OE1 2.97Å
303	F	98.1	Very high	98.2	Very high	70 Å²	70	27.8 Å²	27.8	31%	0.307	13%	0.133	S	C	.	.	H	α-helix	trans	-60	-50.5	173.8	168.5	-98.2	0	0	0	112.1	G299 T300 M301 K306 K307 L397 V400	G299-F303 PolarHBondContact O-N 3.43Å; G299-F303 VanDerWaalsContact O-N 3.08Å; T300-F303 WeakPolarHBondContact O-CB 3.05Å; T300-F303 PolarHBondContact O-N 3.01Å; M301-F303 VanDerWaalsContact C-N 3.34Å; M301-F303 PolarHBondContact O-N 3.28Å; F303-K306 PolarHBondContact O-N 3.37Å; F303-K307 HydrophobicContact CE1-CD 3.92Å; F303-K307 HydrophobicContact CE2-CD 4.22Å; F303-K307 HydrophobicContact CZ-CD 3.75Å; F303-K307 PolarHBondContact O-N 3.31Å; F303-K307 VanDerWaalsContact O-N 3.11Å; F303-L397 HydrophobicContact CE1-CD2 4.08Å; F303-V400 HydrophobicContact CD1-CG2 4.44Å; F303-V400 HydrophobicContact CE1-CG2 3.93Å
304	C	98.8	Very high	98.2	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.007	16%	0.163	C	C	.	.	H	α-helix	trans	-62.5	-47.7	178.8	-68	0	0	0	0	112	T300 M301 K306 K307 A308 V378 C382	T300-C304 PolarHBondContact O-N 3.33Å; T300-C304 PolarHBondContact O-SG 2.65Å; M301-C304 PolarHBondContact O-N 2.89Å; C304-K306 VanDerWaalsContact C-N 3.28Å; C304-K306 PolarHBondContact O-N 3.02Å; C304-K307 PolarHBondContact O-N 2.94Å; C304-A308 PolarHBondContact O-N 3.24Å; C304-V378 HydrophobicContact CB-CG1 3.79Å; C304-C382 HydrophobicContact CB-CB 3.95Å; C304-C382 PolarHBondContact O-SG 3.22Å
305	I	98.8	Very high	98.2	Very high	15 Å²	15	38.3 Å²	38.3	8%	0.077	18%	0.184	C	C	.	.	H	α-helix	trans	-58.4	-42.8	178.4	-72.1	163.9	0	0	0	110.9	M301 A308 I309 M335 V336 H339 V378	M301-I305 WeakPolarHBondContact O-CB 3.22Å; M301-I305 WeakPolarHBondContact O-CD1 3.42Å; M301-I305 VanDerWaalsContact O-CG1 3.23Å; M301-I305 WeakPolarHBondContact O-CG1 3.35Å; M301-I305 PolarHBondContact O-N 2.94Å; I305-A308 PolarHBondContact O-N 3.42Å; I305-I309 HydrophobicContact CG2-CD1 3.56Å; I305-I309 HydrophobicContact CG2-CG1 4.27Å; I305-I309 WeakPolarHBondContact O-CB 3.43Å; I305-I309 VanDerWaalsContact O-CG1 3.31Å; I305-I309 WeakPolarHBondContact O-CG1 3.3Å; I305-I309 PolarHBondContact O-N 3.15Å; I305-M335 HydrophobicContact CD1-CB 4.22Å; I305-M335 HydrophobicContact CG1-CB 3.89Å; I305-M335 HydrophobicContact CG1-CE 3.93Å; I305-V336 HydrophobicContact CD1-CG2 4.48Å; I305-V336 HydrophobicContact CG2-CG2 4.02Å; I305-H339 HydrophobicContact CD1-CB 3.42Å; I305-H339 VanDerWaalsContact CD1-CB 3.42Å; I305-V378 HydrophobicContact CD1-CG1 4.25Å; I305-V378 HydrophobicContact CG1-CG1 3.83Å
306	K	98.3	Very high	98.3	Very high	122 Å²	122	41.8 Å²	41.8	53%	0.53	21%	0.205	S	C	.	.	H	α-helix	trans	-60.2	-49.8	177.1	176.4	164.8	172	43.9	0	111.5	K302 F303 C304 A308 I309 D310	K302-K306 WeakPolarHBondContact O-CB 3.11Å; K302-K306 PolarHBondContact O-N 3.03Å; F303-K306 PolarHBondContact O-N 3.37Å; C304-K306 VanDerWaalsContact C-N 3.28Å; C304-K306 PolarHBondContact O-N 3.02Å; K306-A308 VanDerWaalsContact C-N 3.32Å; K306-A308 PolarHBondContact O-N 3.41Å; K306-I309 PolarHBondContact O-N 3.49Å; K306-D310 WeakPolarHBondContact CE-OD2 3.15Å; K306-D310 WeakPolarHBondContact CG-OD2 3.49Å; K306-D310 VanDerWaalsContact NZ-CG 3.32Å; K306-D310 IonicContact NZ-OD1 2.76Å; K306-D310 PolarHBondContact NZ-OD1 3.33Å; K306-D310 VanDerWaalsContact NZ-OD1 3.14Å; K306-D310 IonicContact NZ-OD2 2.69Å; K306-D310 PolarHBondContact NZ-OD2 2.97Å; K306-D310 WeakPolarHBondContact O-CB 3.5Å; K306-D310 PolarHBondContact O-N 3.38Å
307	K	98.2	Very high	98.3	Very high	61 Å²	61	44.2 Å²	44.2	27%	0.265	22%	0.215	S	C	.	.	H	α-helix	trans	-56.9	-45	176.7	-83.8	-177.8	170.3	-98	0	112.2	F303 C304 H311 C395 L397	F303-K307 HydrophobicContact CE1-CD 3.92Å; F303-K307 HydrophobicContact CE2-CD 4.22Å; F303-K307 HydrophobicContact CZ-CD 3.75Å; F303-K307 PolarHBondContact O-N 3.31Å; F303-K307 VanDerWaalsContact O-N 3.11Å; C304-K307 PolarHBondContact O-N 2.94Å; K307-H311 WeakPolarHBondContact O-CB 3.19Å; K307-H311 PolarHBondContact O-N 3.46Å; K307-C395 PolarHBondContact NZ-O 3.4Å; K307-L397 HydrophobicContact CD-CD2 4Å; K307-L397 HydrophobicContact CD-CG 4.22Å
308	A	98.7	Very high	98.2	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-62.1	-46.5	178.5	0	0	0	0	0	112.4	C304 I305 K306 A312 M335 C382 I385 L386	C304-A308 PolarHBondContact O-N 3.24Å; I305-A308 PolarHBondContact O-N 3.42Å; K306-A308 VanDerWaalsContact C-N 3.32Å; K306-A308 PolarHBondContact O-N 3.41Å; A308-A312 VanDerWaalsContact O-CB 3.24Å; A308-A312 WeakPolarHBondContact O-CB 3.46Å; A308-A312 PolarHBondContact O-N 3.21Å; A308-M335 HydrophobicContact CB-CE 3.91Å; A308-C382 HydrophobicContact CB-CB 4.42Å; A308-I385 HydrophobicContact CB-CB 4.45Å; A308-I385 HydrophobicContact CB-CD1 4.03Å; A308-I385 HydrophobicContact CB-CG2 4.26Å; A308-L386 HydrophobicContact CB-CD1 4.37Å
309	I	98.5	Very high	98.1	Very high	55 Å²	55	57 Å²	57	28%	0.282	29%	0.294	S	S	.	.	H	α-helix	trans	-67.2	-44.8	179.6	-69.8	173.7	0	0	0	111.2	I305 K306 H311 A312 N313 I332	I305-I309 HydrophobicContact CG2-CD1 3.56Å; I305-I309 HydrophobicContact CG2-CG1 4.27Å; I305-I309 WeakPolarHBondContact O-CB 3.43Å; I305-I309 VanDerWaalsContact O-CG1 3.31Å; I305-I309 WeakPolarHBondContact O-CG1 3.3Å; I305-I309 PolarHBondContact O-N 3.15Å; K306-I309 PolarHBondContact O-N 3.49Å; I309-H311 VanDerWaalsContact C-N 3.33Å; I309-H311 PolarHBondContact O-N 3.23Å; I309-A312 PolarHBondContact O-N 2.84Å; I309-N313 VanDerWaalsContact CG2-ND2 3.3Å; I309-N313 WeakPolarHBondContact CG2-ND2 3.36Å; I309-N313 WeakPolarHBondContact O-CB 3.34Å; I309-N313 PolarHBondContact O-N 2.83Å; I309-N313 PolarHBondContact O-ND2 3.39Å; I309-I332 HydrophobicContact CD1-CG2 4.05Å; I309-I332 HydrophobicContact CG1-CD1 4.31Å; I309-I332 HydrophobicContact CG1-CG2 3.9Å
310	D	98.3	Very high	98.1	Very high	74 Å²	74	60.8 Å²	60.8	40%	0.396	31%	0.311	S	S	.	.	H	α-helix	trans	-59.2	-47.3	178.3	-69.1	-16	0	0	0	110	K306 N313 V314	K306-D310 WeakPolarHBondContact CE-OD2 3.15Å; K306-D310 WeakPolarHBondContact CG-OD2 3.49Å; K306-D310 VanDerWaalsContact NZ-CG 3.32Å; K306-D310 IonicContact NZ-OD1 2.76Å; K306-D310 PolarHBondContact NZ-OD1 3.33Å; K306-D310 VanDerWaalsContact NZ-OD1 3.14Å; K306-D310 IonicContact NZ-OD2 2.69Å; K306-D310 PolarHBondContact NZ-OD2 2.97Å; K306-D310 WeakPolarHBondContact O-CB 3.5Å; K306-D310 PolarHBondContact O-N 3.38Å; D310-N313 PolarHBondContact O-N 3.46Å; D310-V314 PolarHBondContact O-N 3.13Å
311	H	98.2	Very high	98.1	Very high	23 Å²	23	65.6 Å²	65.6	11%	0.106	33%	0.329	C	S	.	.	H	α-helix	trans	-61.8	-46.3	176.4	-178.9	65	0	0	0	112.4	K307 I309 N313 V314 R315 I385 L386 M389	K307-H311 WeakPolarHBondContact O-CB 3.19Å; K307-H311 PolarHBondContact O-N 3.46Å; I309-H311 VanDerWaalsContact C-N 3.33Å; I309-H311 PolarHBondContact O-N 3.23Å; H311-N313 PolarHBondContact O-N 2.97Å; H311-V314 WeakPolarHBondContact O-CG2 3.24Å; H311-V314 PolarHBondContact O-N 2.85Å; H311-R315 VanDerWaalsContact CE1-CB 3.43Å; H311-R315 WeakPolarHBondContact CE1-CB 3.04Å; H311-R315 VanDerWaalsContact O-CB 3.32Å; H311-R315 WeakPolarHBondContact O-CB 3.41Å; H311-R315 PolarHBondContact O-N 2.78Å; H311-I385 PolarHBondContact CD2-O 3.48Å; H311-L386 HydrophobicContact CB-CD1 4.04Å; H311-L386 HydrophobicContact CB-CG 3.99Å; H311-M389 WeakPolarHBondContact CE1-CE 3.27Å; H311-M389 WeakPolarHBondContact ND1-CE 3.41Å
312	A	98.2	Very high	98.1	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-64.8	-27.1	-177.4	0	0	0	0	0	113.3	A308 I309 L322 V323 I328 I332 I385	A308-A312 VanDerWaalsContact O-CB 3.24Å; A308-A312 WeakPolarHBondContact O-CB 3.46Å; A308-A312 PolarHBondContact O-N 3.21Å; I309-A312 PolarHBondContact O-N 2.84Å; A312-L322 HydrophobicContact CB-CB 4.21Å; A312-L322 PolarHBondContact O-N 2.92Å; A312-V323 HydrophobicContact CB-CB 4.25Å; A312-V323 WeakPolarHBondContact O-CB 3.39Å; A312-V323 PolarHBondContact O-N 3.36Å; A312-I328 HydrophobicContact CB-CG2 4.15Å; A312-I332 HydrophobicContact CB-CD1 4.13Å; A312-I385 HydrophobicContact CB-CG2 4.41Å
313	N	98.2	Very high	98	Very high	60 Å²	60	64.3 Å²	64.3	32%	0.321	33%	0.327	S	S	.	.	H	α-helix	trans	-80.5	-16.6	178.1	-81.6	-58.6	0	0	0	114.4	I309 D310 H311 R321	I309-N313 VanDerWaalsContact CG2-ND2 3.3Å; I309-N313 WeakPolarHBondContact CG2-ND2 3.36Å; I309-N313 WeakPolarHBondContact O-CB 3.34Å; I309-N313 PolarHBondContact O-N 2.83Å; I309-N313 PolarHBondContact O-ND2 3.39Å; D310-N313 PolarHBondContact O-N 3.46Å; H311-N313 PolarHBondContact O-N 2.97Å; N313-R321 VanDerWaalsContact O-CD 3.31Å; N313-R321 WeakPolarHBondContact O-CD 3.36Å
314	V	97.7	Very high	98	Very high	112 Å²	112	64 Å²	64	68%	0.679	33%	0.327	S	S	*	.	H	α-helix	trans	-112.7	-29	-177.6	-58.3	0	0	0	0	113.3	D310 H311	D310-V314 PolarHBondContact O-N 3.13Å; H311-V314 WeakPolarHBondContact O-CG2 3.24Å; H311-V314 PolarHBondContact O-N 2.85Å
315	R	98	Very high	98	Very high	118 Å²	118	66.5 Å²	66.5	45%	0.445	34%	0.338	S	S	.	.			trans	-82.7	128.5	-174.9	-176.6	63.3	-173.7	-165.7	6.8	110.8	H311 Q317 R321 L322	H311-R315 VanDerWaalsContact CE1-CB 3.43Å; H311-R315 WeakPolarHBondContact CE1-CB 3.04Å; H311-R315 VanDerWaalsContact O-CB 3.32Å; H311-R315 WeakPolarHBondContact O-CB 3.41Å; H311-R315 PolarHBondContact O-N 2.78Å; R315-Q317 VanDerWaalsContact CZ-OE1 3.29Å; R315-Q317 VanDerWaalsContact NE-OE1 3.07Å; R315-R321 CarbonylContact O-C 3.32Å; R315-R321 WeakPolarHBondContact O-CA 3.46Å; R315-L322 HydrophobicContact CB-CD1 3.94Å; R315-L322 HydrophobicContact CB-CG 4.1Å; R315-L322 HydrophobicContact CG-CD1 3.8Å; R315-L322 HydrophobicContact CG-CG 4.07Å; R315-L322 WeakPolarHBondContact O-CG 3.34Å; R315-L322 PolarHBondContact O-N 2.99Å
316	T	97.8	Very high	98	Very high	75 Å²	75	68.4 Å²	68.4	46%	0.46	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	126	-177.7	-63.3	0	0	0	0	111.4	Q320	T316-Q320 CarbonylContact C-O 3.53Å; T316-Q320 VanDerWaalsContact CA-O 3.29Å; T316-Q320 WeakPolarHBondContact CA-O 3.31Å; T316-Q320 WeakPolarHBondContact CG2-O 3.27Å
317	Q	97.4	Very high	97.9	Very high	59 Å²	59	65.7 Å²	65.7	28%	0.276	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	148.9	174.3	-99.5	57.5	-136.4	0	0	108.6	R315 G319 Q320 L322 F325	R315-Q317 VanDerWaalsContact CZ-OE1 3.29Å; R315-Q317 VanDerWaalsContact NE-OE1 3.07Å; Q317-G319 PolarHBondContact O-N 2.97Å; Q317-G319 VanDerWaalsContact O-N 3.16Å; Q317-Q320 PolarHBondContact N-O 3.35Å; Q317-Q320 PolarHBondContact O-N 3.04Å; Q317-Q320 VanDerWaalsContact O-N 3.16Å; Q317-L322 HydrophobicContact CB-CD2 4.18Å; Q317-F325 WeakPolarHBondContact O-CZ 3.26Å
318	F	97.3	Very high	97.9	Very high	188 Å²	188	64 Å²	64	83%	0.825	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	40.6	-178.1	-43.7	-77.8	0	0	0	112.8	Q320 F325	F318-Q320 VanDerWaalsContact C-N 3.32Å; F318-Q320 PolarHBondContact O-N 3.48Å; F318-F325 HydrophobicContact CB-CZ 4.08Å; F318-F325 HydrophobicContact CD2-CE1 4.27Å; F318-F325 AromaticContact CD2-CZ 3.94Å; F318-F325 HydrophobicContact CD2-CZ 3.94Å
319	G	97	Very high	97.9	Very high	80 Å²	80	70.2 Å²	70.2	83%	0.825	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.3	-0.6	176	0	0	0	0	0	116.7	Q317	Q317-G319 PolarHBondContact O-N 2.97Å; Q317-G319 VanDerWaalsContact O-N 3.16Å
320	Q	97.4	Very high	97.8	Very high	80 Å²	80	74.5 Å²	74.5	37%	0.374	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	161.4	179.2	67.6	-173.2	-5	0	0	113.1	T316 Q317 F318 E324 F325	T316-Q320 CarbonylContact C-O 3.53Å; T316-Q320 VanDerWaalsContact CA-O 3.29Å; T316-Q320 WeakPolarHBondContact CA-O 3.31Å; T316-Q320 WeakPolarHBondContact CG2-O 3.27Å; Q317-Q320 PolarHBondContact N-O 3.35Å; Q317-Q320 PolarHBondContact O-N 3.04Å; Q317-Q320 VanDerWaalsContact O-N 3.16Å; F318-Q320 VanDerWaalsContact C-N 3.32Å; F318-Q320 PolarHBondContact O-N 3.48Å; Q320-E324 HydrophobicContact CB-CB 4.36Å; Q320-E324 HydrophobicContact CB-CG 4.42Å; Q320-E324 HydrophobicContact CG-CB 4.19Å; Q320-F325 HydrophobicContact CG-CD2 4.09Å; Q320-F325 HydrophobicContact CG-CE1 4.16Å; Q320-F325 HydrophobicContact CG-CE2 3.35Å; Q320-F325 HydrophobicContact CG-CZ 3.38Å; Q320-F325 VanDerWaalsContact NE2-CD1 3.33Å
321	R	98.1	Very high	97.8	Very high	105 Å²	105	73.9 Å²	73.9	40%	0.396	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	148.1	177.6	-59.1	179.4	-61.8	163	1.7	110.3	N313 R315 V323 E324	N313-R321 VanDerWaalsContact O-CD 3.31Å; N313-R321 WeakPolarHBondContact O-CD 3.36Å; R315-R321 CarbonylContact O-C 3.32Å; R315-R321 WeakPolarHBondContact O-CA 3.46Å; R321-V323 HydrophobicContact CB-CG1 4.05Å; R321-V323 PolarHBondContact O-N 2.96Å; R321-E324 HydrophobicContact CB-CG 4.28Å; R321-E324 IonicContact CZ-OE1 3.22Å; R321-E324 IonicContact NE-OE1 3.41Å; R321-E324 IonicContact NH2-OE1 2.59Å; R321-E324 PolarHBondContact NH2-OE1 3.34Å; R321-E324 WeakPolarHBondContact O-CB 3.17Å; R321-E324 PolarHBondContact O-N 3.45Å
322	L	98.3	Very high	97.9	Very high	23 Å²	23	73.9 Å²	73.9	12%	0.12	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-56.7	-35.3	-179.8	-67.9	-172.6	0	0	0	112.4	A312 R315 Q317 E324 F325 I328	A312-L322 HydrophobicContact CB-CB 4.21Å; A312-L322 PolarHBondContact O-N 2.92Å; R315-L322 HydrophobicContact CB-CD1 3.94Å; R315-L322 HydrophobicContact CB-CG 4.1Å; R315-L322 HydrophobicContact CG-CD1 3.8Å; R315-L322 HydrophobicContact CG-CG 4.07Å; R315-L322 WeakPolarHBondContact O-CG 3.34Å; R315-L322 PolarHBondContact O-N 2.99Å; Q317-L322 HydrophobicContact CB-CD2 4.18Å; L322-E324 PolarHBondContact O-N 2.95Å; L322-E324 VanDerWaalsContact O-N 3.11Å; L322-F325 HydrophobicContact CD2-CE2 4.41Å; L322-F325 PolarHBondContact O-N 3.37Å; L322-F325 VanDerWaalsContact O-N 3.14Å; L322-I328 HydrophobicContact CB-CG1 4.44Å; L322-I328 VanDerWaalsContact O-CB 3.29Å; L322-I328 WeakPolarHBondContact O-CB 3.28Å; L322-I328 WeakPolarHBondContact O-CG1 3.23Å
323	V	97.6	Very high	97.8	Very high	29 Å²	29	75.8 Å²	75.8	18%	0.176	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-61.1	-17.3	177.2	71.8	0	0	0	0	113.9	A312 R321 R329	A312-V323 HydrophobicContact CB-CB 4.25Å; A312-V323 WeakPolarHBondContact O-CB 3.39Å; A312-V323 PolarHBondContact O-N 3.36Å; R321-V323 HydrophobicContact CB-CG1 4.05Å; R321-V323 PolarHBondContact O-N 2.96Å; V323-R329 VanDerWaalsContact O-CG 3.23Å; V323-R329 WeakPolarHBondContact O-CG 3.39Å; V323-R329 PolarHBondContact O-NE 3.28Å
324	E	98	Very high	97.8	Very high	65 Å²	65	73.7 Å²	73.7	30%	0.304	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-81.1	-20.3	178.2	-53.7	-55.3	161.4	0	0	113.3	Q320 R321 L322 R329	Q320-E324 HydrophobicContact CB-CB 4.36Å; Q320-E324 HydrophobicContact CB-CG 4.42Å; Q320-E324 HydrophobicContact CG-CB 4.19Å; R321-E324 HydrophobicContact CB-CG 4.28Å; R321-E324 IonicContact CZ-OE1 3.22Å; R321-E324 IonicContact NE-OE1 3.41Å; R321-E324 IonicContact NH2-OE1 2.59Å; R321-E324 PolarHBondContact NH2-OE1 3.34Å; R321-E324 WeakPolarHBondContact O-CB 3.17Å; R321-E324 PolarHBondContact O-N 3.45Å; L322-E324 PolarHBondContact O-N 2.95Å; L322-E324 VanDerWaalsContact O-N 3.11Å; E324-R329 IonicContact OE2-CZ 3.88Å; E324-R329 IonicContact OE2-NH2 2.7Å; E324-R329 PolarHBondContact OE2-NH2 2.88Å
325	F	98.2	Very high	97.9	Very high	53 Å²	53	68.4 Å²	68.4	23%	0.232	37%	0.366	C	S	.	.	S	Bend	trans	-78.5	131.7	-179.6	-64.4	-91.7	0	0	0	111.7	Q317 F318 Q320 L322 A327 I328 R329	Q317-F325 WeakPolarHBondContact O-CZ 3.26Å; F318-F325 HydrophobicContact CB-CZ 4.08Å; F318-F325 HydrophobicContact CD2-CE1 4.27Å; F318-F325 AromaticContact CD2-CZ 3.94Å; F318-F325 HydrophobicContact CD2-CZ 3.94Å; Q320-F325 HydrophobicContact CG-CD2 4.09Å; Q320-F325 HydrophobicContact CG-CE1 4.16Å; Q320-F325 HydrophobicContact CG-CE2 3.35Å; Q320-F325 HydrophobicContact CG-CZ 3.38Å; Q320-F325 VanDerWaalsContact NE2-CD1 3.33Å; L322-F325 HydrophobicContact CD2-CE2 4.41Å; L322-F325 PolarHBondContact O-N 3.37Å; L322-F325 VanDerWaalsContact O-N 3.14Å; F325-A327 VanDerWaalsContact C-N 3.31Å; F325-A327 PolarHBondContact O-N 3.02Å; F325-I328 HydrophobicContact CB-CB 4.49Å; F325-I328 HydrophobicContact CB-CG1 4.14Å; F325-I328 PolarHBondContact O-N 3Å; F325-I328 VanDerWaalsContact O-N 3.08Å; F325-R329 PolarHBondContact O-N 3.01Å
326	G	97.7	Very high	97.9	Very high	54 Å²	54	63.7 Å²	63.7	56%	0.557	35%	0.35	S	S	*	.	H	α-helix	trans	-54.9	-42.1	179.6	0	0	0	0	0	113.8	I328 R329 E330	G326-I328 VanDerWaalsContact C-N 3.31Å; G326-I328 PolarHBondContact O-N 3.3Å; G326-R329 PolarHBondContact O-N 3.46Å; G326-E330 PolarHBondContact O-N 3.42Å
327	A	97.6	Very high	97.9	Very high	65 Å²	65	60.5 Å²	60.5	54%	0.537	33%	0.33	S	S	.	.	H	α-helix	trans	-62.3	-35.6	178.5	0	0	0	0	0	113.1	F325 K331	F325-A327 VanDerWaalsContact C-N 3.31Å; F325-A327 PolarHBondContact O-N 3.02Å; A327-K331 WeakPolarHBondContact O-CG 3.31Å; A327-K331 PolarHBondContact O-N 3.41Å
328	I	98.4	Very high	98	Very high	27 Å²	27	60.8 Å²	60.8	14%	0.138	33%	0.329	C	S	.	.	H	α-helix	trans	-72.9	-42.7	176.1	-60.2	-60.8	0	0	0	110.3	A312 L322 F325 G326 E330 K331 I332 I385	A312-I328 HydrophobicContact CB-CG2 4.15Å; L322-I328 HydrophobicContact CB-CG1 4.44Å; L322-I328 VanDerWaalsContact O-CB 3.29Å; L322-I328 WeakPolarHBondContact O-CB 3.28Å; L322-I328 WeakPolarHBondContact O-CG1 3.23Å; F325-I328 HydrophobicContact CB-CB 4.49Å; F325-I328 HydrophobicContact CB-CG1 4.14Å; F325-I328 PolarHBondContact O-N 3Å; F325-I328 VanDerWaalsContact O-N 3.08Å; G326-I328 VanDerWaalsContact C-N 3.31Å; G326-I328 PolarHBondContact O-N 3.3Å; I328-E330 VanDerWaalsContact C-N 3.29Å; I328-E330 PolarHBondContact O-N 2.86Å; I328-K331 PolarHBondContact O-N 2.86Å; I328-I332 HydrophobicContact CG2-CD1 3.84Å; I328-I332 HydrophobicContact CG2-CG1 4.45Å; I328-I332 WeakPolarHBondContact O-CG1 3.25Å; I328-I332 PolarHBondContact O-N 3.34Å; I328-I385 HydrophobicContact CD1-CG1 4.44Å
329	R	97.7	Very high	98	Very high	130 Å²	130	52.9 Å²	52.9	49%	0.491	29%	0.294	S	S	.	.	H	α-helix	trans	-59.6	-39.6	175.3	-67.5	178.6	176.9	-177.6	-0	111.9	V323 E324 F325 G326 A333	V323-R329 VanDerWaalsContact O-CG 3.23Å; V323-R329 WeakPolarHBondContact O-CG 3.39Å; V323-R329 PolarHBondContact O-NE 3.28Å; E324-R329 IonicContact OE2-CZ 3.88Å; E324-R329 IonicContact OE2-NH2 2.7Å; E324-R329 PolarHBondContact OE2-NH2 2.88Å; F325-R329 PolarHBondContact O-N 3.01Å; G326-R329 PolarHBondContact O-N 3.46Å; R329-A333 VanDerWaalsContact O-CB 3.25Å; R329-A333 WeakPolarHBondContact O-CB 3.32Å; R329-A333 PolarHBondContact O-N 2.95Å
330	E	97.6	Very high	98.1	Very high	145 Å²	145	49.5 Å²	49.5	68%	0.678	26%	0.257	S	S	*	.	H	α-helix	trans	-62.4	-47.2	176.1	-177.4	175.5	-171	0	0	111.9	G326 I328 A333 A334	G326-E330 PolarHBondContact O-N 3.42Å; I328-E330 VanDerWaalsContact C-N 3.29Å; I328-E330 PolarHBondContact O-N 2.86Å; E330-A333 PolarHBondContact O-N 2.82Å; E330-A334 WeakPolarHBondContact O-CB 3.42Å; E330-A334 PolarHBondContact O-N 3.15Å
331	K	98.4	Very high	98.1	Very high	60 Å²	60	45.7 Å²	45.7	26%	0.261	24%	0.239	S	C	.	.	H	α-helix	trans	-59.2	-50.5	176.4	-70.7	174.9	173.4	-61.1	0	111.5	A327 I328 A333 A334 M335 E381 I385	A327-K331 WeakPolarHBondContact O-CG 3.31Å; A327-K331 PolarHBondContact O-N 3.41Å; I328-K331 PolarHBondContact O-N 2.86Å; K331-A333 VanDerWaalsContact C-N 3.34Å; K331-A333 PolarHBondContact O-N 2.85Å; K331-A334 PolarHBondContact O-N 3.22Å; K331-M335 VanDerWaalsContact O-CG 3.23Å; K331-M335 WeakPolarHBondContact O-CG 3.49Å; K331-M335 PolarHBondContact O-N 2.94Å; K331-E381 WeakPolarHBondContact CD-OE2 3.19Å; K331-E381 WeakPolarHBondContact CE-OE2 3.29Å; K331-E381 VanDerWaalsContact CG-OE2 3.31Å; K331-E381 WeakPolarHBondContact CG-OE2 3.31Å; K331-E381 VanDerWaalsContact NZ-CD 3.27Å; K331-E381 IonicContact NZ-OE1 3.22Å; K331-E381 PolarHBondContact NZ-OE1 2.91Å; K331-E381 VanDerWaalsContact NZ-OE1 3.08Å; K331-E381 IonicContact NZ-OE2 3.32Å; K331-E381 PolarHBondContact NZ-OE2 2.79Å; K331-I385 HydrophobicContact CB-CD1 3.94Å; K331-I385 HydrophobicContact CB-CG1 4.4Å; K331-I385 HydrophobicContact CD-CG1 4.2Å
332	I	98.4	Very high	98.2	Very high	24 Å²	24	40.8 Å²	40.8	12%	0.123	22%	0.22	C	C	.	.	H	α-helix	trans	-59.3	-45.1	177.8	-66.6	170.3	0	0	0	110.7	I309 A312 I328 A334 M335 V336 I385	I309-I332 HydrophobicContact CD1-CG2 4.05Å; I309-I332 HydrophobicContact CG1-CD1 4.31Å; I309-I332 HydrophobicContact CG1-CG2 3.9Å; A312-I332 HydrophobicContact CB-CD1 4.13Å; I328-I332 HydrophobicContact CG2-CD1 3.84Å; I328-I332 HydrophobicContact CG2-CG1 4.45Å; I328-I332 WeakPolarHBondContact O-CG1 3.25Å; I328-I332 PolarHBondContact O-N 3.34Å; I332-A334 PolarHBondContact O-N 2.93Å; I332-M335 PolarHBondContact O-N 2.86Å; I332-V336 HydrophobicContact CG2-CG2 4.27Å; I332-V336 WeakPolarHBondContact O-CB 3.37Å; I332-V336 VanDerWaalsContact O-CG2 3.28Å; I332-V336 WeakPolarHBondContact O-CG2 3.38Å; I332-V336 PolarHBondContact O-N 2.87Å; I332-I385 HydrophobicContact CG1-CD1 3.95Å
333	A	97.8	Very high	98.1	Very high	40 Å²	40	40.5 Å²	40.5	33%	0.331	22%	0.218	S	C	.	.	H	α-helix	trans	-61.4	-42.7	177.5	0	0	0	0	0	111.9	R329 E330 K331 V336 L337	R329-A333 VanDerWaalsContact O-CB 3.25Å; R329-A333 WeakPolarHBondContact O-CB 3.32Å; R329-A333 PolarHBondContact O-N 2.95Å; E330-A333 PolarHBondContact O-N 2.82Å; K331-A333 VanDerWaalsContact C-N 3.34Å; K331-A333 PolarHBondContact O-N 2.85Å; A333-V336 PolarHBondContact O-N 3.47Å; A333-L337 WeakPolarHBondContact O-CB 3.41Å; A333-L337 VanDerWaalsContact O-CG 3.23Å; A333-L337 WeakPolarHBondContact O-CG 3.24Å; A333-L337 PolarHBondContact O-N 3.31Å
334	A	98.1	Very high	98.2	Very high	15 Å²	15	39.1 Å²	39.1	12%	0.124	21%	0.21	C	C	.	.	H	α-helix	trans	-62.9	-41.9	176.6	0	0	0	0	0	112.1	E330 K331 I332 R338 F377	E330-A334 WeakPolarHBondContact O-CB 3.42Å; E330-A334 PolarHBondContact O-N 3.15Å; K331-A334 PolarHBondContact O-N 3.22Å; I332-A334 PolarHBondContact O-N 2.93Å; A334-R338 WeakPolarHBondContact O-CG 3.31Å; A334-R338 PolarHBondContact O-N 2.75Å; A334-F377 HydrophobicContact CB-CE1 4.11Å; A334-F377 HydrophobicContact CB-CZ 4.2Å
335	M	98.8	Very high	98.2	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-63.1	-47.3	176.1	-64.5	162.1	72.1	0	0	111.5	I305 A308 K331 I332 L337 R338 H339 F377 V378 E381 C382 I385	I305-M335 HydrophobicContact CD1-CB 4.22Å; I305-M335 HydrophobicContact CG1-CB 3.89Å; I305-M335 HydrophobicContact CG1-CE 3.93Å; A308-M335 HydrophobicContact CB-CE 3.91Å; K331-M335 VanDerWaalsContact O-CG 3.23Å; K331-M335 WeakPolarHBondContact O-CG 3.49Å; K331-M335 PolarHBondContact O-N 2.94Å; I332-M335 PolarHBondContact O-N 2.86Å; M335-L337 PolarHBondContact O-N 3.37Å; M335-R338 PolarHBondContact O-N 2.65Å; M335-H339 PolarHBondContact O-N 2.61Å; M335-F377 HydrophobicContact CG-CE1 4.4Å; M335-V378 HydrophobicContact CB-CG1 4.4Å; M335-V378 HydrophobicContact CB-CG2 3.85Å; M335-V378 HydrophobicContact CE-CG1 3.86Å; M335-V378 WeakPolarHBondContact CE-O 3.49Å; M335-V378 HydrophobicContact CG-CG1 4.49Å; M335-V378 HydrophobicContact CG-CG2 4.08Å; M335-E381 HydrophobicContact CG-CB 3.94Å; M335-E381 HydrophobicContact SD-CB 3.79Å; M335-C382 HydrophobicContact CE-CB 3.96Å; M335-I385 HydrophobicContact SD-CD1 3.78Å
336	V	98.5	Very high	98.1	Very high	19 Å²	19	33.6 Å²	33.6	12%	0.115	19%	0.185	C	C	.	.	H	α-helix	trans	-64	-41.5	-179.9	170.5	0	0	0	0	111.9	I305 I332 A333 H339 Y340 L530	I305-V336 HydrophobicContact CD1-CG2 4.48Å; I305-V336 HydrophobicContact CG2-CG2 4.02Å; I332-V336 HydrophobicContact CG2-CG2 4.27Å; I332-V336 WeakPolarHBondContact O-CB 3.37Å; I332-V336 VanDerWaalsContact O-CG2 3.28Å; I332-V336 WeakPolarHBondContact O-CG2 3.38Å; I332-V336 PolarHBondContact O-N 2.87Å; A333-V336 PolarHBondContact O-N 3.47Å; V336-H339 PolarHBondContact O-N 3.18Å; V336-Y340 WeakPolarHBondContact O-CB 3.3Å; V336-Y340 PolarHBondContact O-N 3.36Å; V336-L530 HydrophobicContact CG1-CD1 4.25Å; V336-L530 HydrophobicContact CG1-CD2 3.89Å
337	L	98.2	Very high	98.1	Very high	9 Å²	9	31.5 Å²	31.5	5%	0.047	16%	0.161	C	C	.	.	H	α-helix	trans	-60.4	-46.3	176.6	-76.3	169	0	0	0	111.9	A333 M335 Y340 A341 L530 L533 F534	A333-L337 WeakPolarHBondContact O-CB 3.41Å; A333-L337 VanDerWaalsContact O-CG 3.23Å; A333-L337 WeakPolarHBondContact O-CG 3.24Å; A333-L337 PolarHBondContact O-N 3.31Å; M335-L337 PolarHBondContact O-N 3.37Å; L337-Y340 PolarHBondContact O-N 3.36Å; L337-A341 PolarHBondContact O-N 3.05Å; L337-L530 HydrophobicContact CD2-CB 4.43Å; L337-L530 HydrophobicContact CD2-CD2 3.95Å; L337-L530 WeakPolarHBondContact CD2-O 3.41Å; L337-L530 HydrophobicContact CG-CD2 4.5Å; L337-L533 HydrophobicContact CD1-CD2 3.74Å; L337-L533 HydrophobicContact CD1-CG 3.8Å; L337-L533 HydrophobicContact CD2-CB 4.23Å; L337-L533 HydrophobicContact CD2-CD2 4.32Å; L337-L533 HydrophobicContact CD2-CG 4.26Å; L337-L533 HydrophobicContact CG-CD2 4.39Å; L337-F534 HydrophobicContact CB-CD2 4.34Å; L337-F534 HydrophobicContact CD2-CB 3.98Å; L337-F534 HydrophobicContact CD2-CD2 4.39Å
338	R	98.6	Very high	98	Very high	65 Å²	65	28.4 Å²	28.4	25%	0.245	14%	0.135	C	C	.	.	H	α-helix	trans	-62.8	-45.4	176.8	-74.2	-177.7	-178.7	-76.5	3.3	111.1	M301 A334 M335 Y340 A341 T342 F377 V378	M301-R338 VanDerWaalsContact CE-C 3.47Å; M301-R338 HydrophobicContact CE-CB 3.75Å; A334-R338 WeakPolarHBondContact O-CG 3.31Å; A334-R338 PolarHBondContact O-N 2.75Å; M335-R338 PolarHBondContact O-N 2.65Å; R338-Y340 PolarHBondContact O-N 2.77Å; R338-A341 PolarHBondContact O-N 2.7Å; R338-T342 WeakPolarHBondContact O-CB 3.35Å; R338-T342 PolarHBondContact O-N 2.78Å; R338-T342 PolarHBondContact O-OG1 3.14Å; R338-T342 VanDerWaalsContact O-OG1 3.07Å; R338-F377 VanDerWaalsContact NE-CD1 3.3Å; R338-V378 HydrophobicContact CB-CG2 4.48Å
339	H	98.7	Very high	97.9	Very high	22 Å²	22	27.1 Å²	27.1	10%	0.102	13%	0.129	C	C	.	.	H	α-helix	trans	-60.5	-45.3	176.9	166.5	-99.9	0	0	0	111.6	S298 M301 K302 I305 M335 V336 A341 T342 E343	S298-H339 PolarHBondContact O-CD2 3.05Å; M301-H339 HydrophobicContact CB-CB 4.19Å; M301-H339 HydrophobicContact CE-CB 3.88Å; K302-H339 VanDerWaalsContact CE-CE1 3.49Å; K302-H339 WeakPolarHBondContact CE-CE1 3.23Å; K302-H339 VanDerWaalsContact CE-NE2 3.32Å; K302-H339 WeakPolarHBondContact CE-NE2 3.41Å; I305-H339 HydrophobicContact CD1-CB 3.42Å; I305-H339 VanDerWaalsContact CD1-CB 3.42Å; M335-H339 PolarHBondContact O-N 2.61Å; V336-H339 PolarHBondContact O-N 3.18Å; H339-A341 VanDerWaalsContact C-N 3.31Å; H339-A341 PolarHBondContact O-N 3.13Å; H339-T342 PolarHBondContact O-N 2.88Å; H339-E343 IonicContact CE1-OE1 3.78Å; H339-E343 IonicContact CE1-OE2 2.74Å; H339-E343 IonicContact NE2-OE1 2.89Å; H339-E343 WeakPolarHBondContact O-CB 3.46Å; H339-E343 PolarHBondContact O-N 2.68Å
340	Y	98.3	Very high	97.8	Very high	9 Å²	9	21 Å²	21	4%	0.035	11%	0.105	C	C	.	.	H	α-helix	trans	-59.4	-42.8	178.7	-172.7	-100.8	0	0	0	111.5	V336 L337 R338 S344 V509 R512 E527 L530	V336-Y340 WeakPolarHBondContact O-CB 3.3Å; V336-Y340 PolarHBondContact O-N 3.36Å; L337-Y340 PolarHBondContact O-N 3.36Å; R338-Y340 PolarHBondContact O-N 2.77Å; Y340-S344 VanDerWaalsContact O-CB 3.31Å; Y340-S344 WeakPolarHBondContact O-CB 3.26Å; Y340-S344 PolarHBondContact O-N 2.73Å; Y340-S344 PolarHBondContact O-OG 2.98Å; Y340-V509 HydrophobicContact CD1-CG1 4.25Å; Y340-V509 HydrophobicContact CD1-CG2 4.14Å; Y340-V509 HydrophobicContact CE1-CG1 4.02Å; Y340-V509 HydrophobicContact CE1-CG2 4.39Å; Y340-R512 VanDerWaalsContact CE2-CZ 3.4Å; Y340-R512 VanDerWaalsContact CE2-NE 3.34Å; Y340-R512 WeakPolarHBondContact OH-CD 3.38Å; Y340-R512 WeakPolarHBondContact OH-CG 3.35Å; Y340-E527 HydrophobicContact CE2-CB 4.4Å; Y340-E527 HydrophobicContact CE2-CG 3.77Å; Y340-E527 WeakPolarHBondContact CE2-OE2 3.35Å; Y340-E527 PolarHBondContact OH-OE2 2.86Å; Y340-L530 HydrophobicContact CD2-CD1 3.91Å; Y340-L530 HydrophobicContact CE2-CD1 4.38Å; Y340-L530 HydrophobicContact CG-CD1 4.02Å
341	A	98.3	Very high	97.7	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-66.1	-48.8	174.9	0	0	0	0	0	112.4	L337 R338 H339 E343 S344 M345 Y370 V509 F534	L337-A341 PolarHBondContact O-N 3.05Å; R338-A341 PolarHBondContact O-N 2.7Å; H339-A341 VanDerWaalsContact C-N 3.31Å; H339-A341 PolarHBondContact O-N 3.13Å; A341-E343 PolarHBondContact O-N 3.14Å; A341-S344 PolarHBondContact O-N 3.35Å; A341-S344 VanDerWaalsContact O-N 3.14Å; A341-M345 VanDerWaalsContact O-CG 3.32Å; A341-M345 WeakPolarHBondContact O-CG 3.21Å; A341-M345 PolarHBondContact O-N 3.22Å; A341-Y370 HydrophobicContact CB-CE1 3.62Å; A341-Y370 WeakPolarHBondContact CB-OH 3.46Å; A341-V509 HydrophobicContact CB-CG2 3.83Å; A341-F534 HydrophobicContact CB-CD2 4.33Å; A341-F534 HydrophobicContact CB-CE1 4.45Å; A341-F534 HydrophobicContact CB-CE2 3.52Å; A341-F534 HydrophobicContact CB-CZ 3.6Å
342	T	98.7	Very high	97.5	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.006	6%	0.062	C	C	.	.	H	α-helix	trans	-56.4	-49.5	177.8	-64.4	0	0	0	0	112.1	M297 M301 R338 H339 S344 M345 A346	M297-T342 HydrophobicContact CB-CG2 4.43Å; M301-T342 HydrophobicContact SD-CG2 3.88Å; R338-T342 WeakPolarHBondContact O-CB 3.35Å; R338-T342 PolarHBondContact O-N 2.78Å; R338-T342 PolarHBondContact O-OG1 3.14Å; R338-T342 VanDerWaalsContact O-OG1 3.07Å; H339-T342 PolarHBondContact O-N 2.88Å; T342-S344 VanDerWaalsContact C-N 3.3Å; T342-S344 PolarHBondContact O-N 3.41Å; T342-M345 PolarHBondContact O-N 2.88Å; T342-A346 PolarHBondContact O-N 3.01Å
343	E	97.7	Very high	97.3	Very high	17 Å²	17	10.9 Å²	10.9	8%	0.079	6%	0.059	C	C	.	.	H	α-helix	trans	-59.4	-46.1	177.4	-167.9	179.9	-127.8	0	0	109.7	S298 K302 H339 A341 M345 A346 Y347 R512	S298-E343 WeakPolarHBondContact OG-CA 3.4Å; S298-E343 WeakPolarHBondContact OG-CB 3.43Å; S298-E343 WeakPolarHBondContact OG-CG 3.46Å; K302-E343 IonicContact NZ-OE1 3.9Å; K302-E343 PolarHBondContact NZ-OE1 2.97Å; H339-E343 IonicContact CE1-OE1 3.78Å; H339-E343 IonicContact CE1-OE2 2.74Å; H339-E343 IonicContact NE2-OE1 2.89Å; H339-E343 WeakPolarHBondContact O-CB 3.46Å; H339-E343 PolarHBondContact O-N 2.68Å; A341-E343 PolarHBondContact O-N 3.14Å; E343-M345 VanDerWaalsContact C-N 3.33Å; E343-M345 PolarHBondContact O-N 3.41Å; E343-A346 PolarHBondContact O-N 3.42Å; E343-Y347 HydrophobicContact CG-CD2 3.95Å; E343-Y347 HydrophobicContact CG-CE2 3.83Å; E343-Y347 VanDerWaalsContact O-CD2 3.25Å; E343-Y347 WeakPolarHBondContact O-CD2 3.43Å; E343-Y347 PolarHBondContact O-N 3.35Å; E343-Y347 VanDerWaalsContact O-N 3.11Å; E343-R512 IonicContact OE2-CZ 3.54Å; E343-R512 IonicContact OE2-NH1 3.58Å; E343-R512 PolarHBondContact OE2-NH1 3.07Å; E343-R512 IonicContact OE2-NH2 2.74Å; E343-R512 PolarHBondContact OE2-NH2 3.37Å
344	S	97.7	Very high	97.1	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-61.8	-40.3	179.8	-51.9	0	0	0	0	112.4	F57 Y340 A341 T342 M348 V508 R512	F57-S344 WeakPolarHBondContact CE2-O 3.27Å; Y340-S344 VanDerWaalsContact O-CB 3.31Å; Y340-S344 WeakPolarHBondContact O-CB 3.26Å; Y340-S344 PolarHBondContact O-N 2.73Å; Y340-S344 PolarHBondContact O-OG 2.98Å; A341-S344 PolarHBondContact O-N 3.35Å; A341-S344 VanDerWaalsContact O-N 3.14Å; T342-S344 VanDerWaalsContact C-N 3.3Å; T342-S344 PolarHBondContact O-N 3.41Å; S344-M348 VanDerWaalsContact O-CB 3.24Å; S344-M348 WeakPolarHBondContact O-CB 3.12Å; S344-M348 PolarHBondContact O-N 3.09Å; S344-V508 VanDerWaalsContact C-CG1 3.4Å; S344-V508 VanDerWaalsContact O-CG1 3.3Å; S344-V508 WeakPolarHBondContact O-CG1 3.16Å; S344-R512 WeakPolarHBondContact OG-CD 3.47Å; S344-R512 PolarHBondContact OG-NH1 3.04Å; S344-R512 VanDerWaalsContact OG-NH1 3.11Å
345	M	98.2	Very high	96.8	Very high	2 Å²	2	16.5 Å²	16.5	1%	0.01	8%	0.078	C	C	.	.	H	α-helix	trans	-66	-41.8	176.7	-69.6	173.2	92.5	0	0	112.3	A341 T342 E343 Y347 M348 I349 M366 S367 Y370 F504 A505 V508	A341-M345 VanDerWaalsContact O-CG 3.32Å; A341-M345 WeakPolarHBondContact O-CG 3.21Å; A341-M345 PolarHBondContact O-N 3.22Å; T342-M345 PolarHBondContact O-N 2.88Å; E343-M345 VanDerWaalsContact C-N 3.33Å; E343-M345 PolarHBondContact O-N 3.41Å; M345-Y347 PolarHBondContact O-N 3.36Å; M345-M348 PolarHBondContact O-N 3.33Å; M345-I349 PolarHBondContact O-N 3.18Å; M345-M366 HydrophobicContact CE-CB 4.37Å; M345-S367 WeakPolarHBondContact CE-OG 3.1Å; M345-Y370 HydrophobicContact CE-CG 4.25Å; M345-Y370 HydrophobicContact SD-CD1 3.62Å; M345-Y370 HydrophobicContact SD-CD2 4.34Å; M345-Y370 HydrophobicContact SD-CE1 4.3Å; M345-Y370 HydrophobicContact SD-CG 3.65Å; M345-F504 HydrophobicContact CE-CD1 3.5Å; M345-F504 VanDerWaalsContact CE-CD1 3.5Å; M345-F504 HydrophobicContact CE-CE1 3.82Å; M345-F504 HydrophobicContact CG-CE1 4.47Å; M345-A505 HydrophobicContact CE-CB 4.3Å; M345-A505 HydrophobicContact SD-CB 3.95Å; M345-V508 HydrophobicContact CG-CG1 4.37Å
346	A	97	Very high	96.5	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.008	11%	0.11	C	C	.	.	H	α-helix	trans	-60.3	-44.9	177.6	0	0	0	0	0	112.1	T119 A294 A295 T342 E343 S350	T119-A346 HydrophobicContact CG2-CB 4.17Å; A294-A346 HydrophobicContact CB-CB 3.83Å; A295-A346 HydrophobicContact CB-CB 4.37Å; T342-A346 PolarHBondContact O-N 3.01Å; E343-A346 PolarHBondContact O-N 3.42Å; A346-S350 PolarHBondContact O-N 2.61Å; A346-S350 PolarHBondContact O-OG 3.46Å
347	Y	96.5	Very high	96.2	Very high	9 Å²	9	19.6 Å²	19.6	4%	0.035	11%	0.111	C	C	.	.	H	α-helix	trans	-74.7	-32.4	176.6	-76.7	-80.2	0	0	0	112.7	P58 H60 T116 T119 R120 E123 E343 M345 S350 G351	P58-Y347 WeakPolarHBondContact CG-O 3.02Å; H60-Y347 HydrophobicContact CB-CD1 4.12Å; H60-Y347 HydrophobicContact CB-CE1 4.05Å; H60-Y347 AromaticContact ND1-CD1 3.97Å; T116-Y347 HydrophobicContact CG2-CD1 3.92Å; T116-Y347 HydrophobicContact CG2-CE1 4.3Å; T119-Y347 HydrophobicContact CG2-CD1 4.04Å; T119-Y347 HydrophobicContact CG2-CD2 4.32Å; T119-Y347 HydrophobicContact CG2-CE1 3.89Å; T119-Y347 HydrophobicContact CG2-CE2 4.16Å; T119-Y347 HydrophobicContact CG2-CG 4.24Å; R120-Y347 WeakPolarHBondContact CD-OH 3.2Å; E123-Y347 PolarHBondContact OE2-OH 2.62Å; E343-Y347 HydrophobicContact CG-CD2 3.95Å; E343-Y347 HydrophobicContact CG-CE2 3.83Å; E343-Y347 VanDerWaalsContact O-CD2 3.25Å; E343-Y347 WeakPolarHBondContact O-CD2 3.43Å; E343-Y347 PolarHBondContact O-N 3.35Å; E343-Y347 VanDerWaalsContact O-N 3.11Å; M345-Y347 PolarHBondContact O-N 3.36Å; Y347-S350 VanDerWaalsContact CA-OG 3.31Å; Y347-S350 WeakPolarHBondContact CA-OG 3.14Å; Y347-S350 PolarHBondContact O-OG 2.99Å; Y347-S350 VanDerWaalsContact O-OG 3.09Å; Y347-G351 PolarHBondContact O-N 3.09Å
348	M	96.9	Very high	95.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-61.4	-52.3	176.1	-177.9	60.9	74	0	0	111.2	I54 F57 P58 S344 M345 G351 I352 F504 V508	I54-M348 HydrophobicContact CB-CE 3.97Å; I54-M348 HydrophobicContact CB-SD 4.15Å; I54-M348 HydrophobicContact CG2-CE 4.25Å; I54-M348 HydrophobicContact CG2-CG 4.27Å; I54-M348 HydrophobicContact CG2-SD 3.98Å; I54-M348 VanDerWaalsContact O-CE 3.23Å; I54-M348 WeakPolarHBondContact O-CE 3.37Å; F57-M348 HydrophobicContact CD2-CE 3.44Å; F57-M348 VanDerWaalsContact CD2-CE 3.44Å; F57-M348 HydrophobicContact CE2-CB 4.32Å; F57-M348 HydrophobicContact CE2-CE 3.89Å; F57-M348 HydrophobicContact CG-CE 4.39Å; P58-M348 HydrophobicContact CG-SD 4.28Å; S344-M348 VanDerWaalsContact O-CB 3.24Å; S344-M348 WeakPolarHBondContact O-CB 3.12Å; S344-M348 PolarHBondContact O-N 3.09Å; M345-M348 PolarHBondContact O-N 3.33Å; M348-G351 PolarHBondContact O-N 2.89Å; M348-I352 HydrophobicContact CG-CD1 3.82Å; M348-I352 HydrophobicContact CG-CG1 4.39Å; M348-I352 WeakPolarHBondContact O-CG1 3.41Å; M348-I352 PolarHBondContact O-N 2.78Å; M348-I352 HydrophobicContact SD-CD1 4.2Å; M348-I352 HydrophobicContact SD-CG1 4.31Å; M348-F504 HydrophobicContact CG-CZ 4.34Å; M348-V508 HydrophobicContact CB-CG1 3.74Å; M348-V508 HydrophobicContact CB-CG2 4.04Å; M348-V508 HydrophobicContact CE-CB 4.37Å; M348-V508 HydrophobicContact CE-CG1 4.08Å; M348-V508 HydrophobicContact CE-CG2 4.05Å; M348-V508 HydrophobicContact CG-CG1 4.26Å; M348-V508 HydrophobicContact CG-CG2 3.72Å
349	I	96.2	Very high	95.3	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-67.7	-42.5	-175.3	-74.7	161.6	0	0	0	111.9	F291 M345 G351 I352 M353 E363 S367 F504	F291-I349 HydrophobicContact CB-CB 4.29Å; F291-I349 HydrophobicContact CB-CG2 3.52Å; F291-I349 HydrophobicContact CG-CG2 4.46Å; M345-I349 PolarHBondContact O-N 3.18Å; I349-G351 PolarHBondContact O-N 3.18Å; I349-I352 PolarHBondContact O-N 3.31Å; I349-M353 HydrophobicContact CG2-CG 4.34Å; I349-M353 HydrophobicContact CG2-SD 3.81Å; I349-M353 VanDerWaalsContact O-CG 3.23Å; I349-M353 WeakPolarHBondContact O-CG 3.24Å; I349-M353 PolarHBondContact O-N 3.26Å; I349-E363 HydrophobicContact CD1-CB 3.77Å; I349-E363 WeakPolarHBondContact CD1-O 3.49Å; I349-E363 HydrophobicContact CG1-CB 3.66Å; I349-S367 VanDerWaalsContact CD1-CB 3.47Å; I349-S367 WeakPolarHBondContact CD1-OG 3.5Å; I349-F504 HydrophobicContact CD1-CE1 4.25Å; I349-F504 HydrophobicContact CD1-CZ 4.47Å; I349-F504 HydrophobicContact CG1-CZ 4.31Å
350	S	95.5	Very high	95.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-60.8	-37	174.7	48.9	0	0	0	0	111.8	T119 A346 Y347 M353 D354	T119-S350 VanDerWaalsContact OG1-CB 3.3Å; T119-S350 WeakPolarHBondContact OG1-CB 3.3Å; T119-S350 PolarHBondContact OG1-OG 3.3Å; A346-S350 PolarHBondContact O-N 2.61Å; A346-S350 PolarHBondContact O-OG 3.46Å; Y347-S350 VanDerWaalsContact CA-OG 3.31Å; Y347-S350 WeakPolarHBondContact CA-OG 3.14Å; Y347-S350 PolarHBondContact O-OG 2.99Å; Y347-S350 VanDerWaalsContact O-OG 3.09Å; S350-M353 PolarHBondContact O-N 2.67Å; S350-D354 WeakPolarHBondContact O-CB 3.21Å; S350-D354 VanDerWaalsContact O-CG 3.23Å; S350-D354 PolarHBondContact O-N 3.29Å
351	G	95	Very high	94.9	Very high	3 Å²	3	24.3 Å²	24.3	3%	0.031	15%	0.146	C	C	.	.	H	α-helix	trans	-64.3	-44.5	171.4	0	0	0	0	0	113.9	Y347 M348 I349 M353 D354 Q355	Y347-G351 PolarHBondContact O-N 3.09Å; M348-G351 PolarHBondContact O-N 2.89Å; I349-G351 PolarHBondContact O-N 3.18Å; G351-M353 VanDerWaalsContact C-N 3.28Å; G351-M353 PolarHBondContact O-N 3.32Å; G351-D354 PolarHBondContact O-N 2.96Å; G351-Q355 VanDerWaalsContact O-CG 3.31Å; G351-Q355 WeakPolarHBondContact O-CG 3.44Å; G351-Q355 PolarHBondContact O-N 3.42Å
352	I	94.7	Very high	94.9	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-59.3	-41.3	175.1	-69.8	170.3	0	0	0	110.7	Q53 I54 M348 I349 Q355 S357 F360	Q53-I352 HydrophobicContact CB-CD1 4.22Å; Q53-I352 HydrophobicContact CB-CG1 4.09Å; Q53-I352 WeakPolarHBondContact O-CG1 3.17Å; I54-I352 HydrophobicContact CG2-CD1 4.34Å; M348-I352 HydrophobicContact CG-CD1 3.82Å; M348-I352 HydrophobicContact CG-CG1 4.39Å; M348-I352 WeakPolarHBondContact O-CG1 3.41Å; M348-I352 PolarHBondContact O-N 2.78Å; M348-I352 HydrophobicContact SD-CD1 4.2Å; M348-I352 HydrophobicContact SD-CG1 4.31Å; I349-I352 PolarHBondContact O-N 3.31Å; I352-Q355 PolarHBondContact O-N 3.45Å; I352-S357 VanDerWaalsContact O-CB 3.31Å; I352-S357 WeakPolarHBondContact O-CB 3.47Å; I352-S357 PolarHBondContact O-N 3.42Å; I352-F360 HydrophobicContact CG2-CB 4.29Å
353	M	94.5	Very high	94.8	Very high	14 Å²	14	24.3 Å²	24.3	7%	0.069	15%	0.146	C	C	.	.	H	α-helix	trans	-67.8	-41.5	176.4	-67.1	170.3	69.3	0	0	111.7	N115 N288 F291 I349 S350 G351 Q355 G356 F360	N115-M353 HydrophobicContact CB-CB 4.28Å; N288-M353 VanDerWaalsContact ND2-CE 3.34Å; N288-M353 WeakPolarHBondContact ND2-CE 3.38Å; F291-M353 HydrophobicContact CB-SD 4.22Å; F291-M353 HydrophobicContact CD1-CE 3.65Å; F291-M353 HydrophobicContact CD1-SD 3.49Å; F291-M353 WeakPolarHBondContact CD1-SD 3.45Å; F291-M353 HydrophobicContact CE1-CE 3.65Å; F291-M353 HydrophobicContact CE1-SD 4.01Å; F291-M353 HydrophobicContact CG-SD 3.88Å; I349-M353 HydrophobicContact CG2-CG 4.34Å; I349-M353 HydrophobicContact CG2-SD 3.81Å; I349-M353 VanDerWaalsContact O-CG 3.23Å; I349-M353 WeakPolarHBondContact O-CG 3.24Å; I349-M353 PolarHBondContact O-N 3.26Å; S350-M353 PolarHBondContact O-N 2.67Å; G351-M353 VanDerWaalsContact C-N 3.28Å; G351-M353 PolarHBondContact O-N 3.32Å; M353-Q355 PolarHBondContact O-N 3.16Å; M353-G356 PolarHBondContact O-N 3.48Å; M353-F360 HydrophobicContact CE-CE2 4.3Å; M353-F360 HydrophobicContact CE-CZ 4.31Å; M353-F360 HydrophobicContact CG-CB 4.47Å; M353-F360 HydrophobicContact CG-CD1 3.98Å; M353-F360 HydrophobicContact CG-CD2 4.22Å; M353-F360 HydrophobicContact CG-CE1 4.26Å; M353-F360 HydrophobicContact CG-CG 3.97Å; M353-F360 HydrophobicContact SD-CD2 4.33Å; M353-F360 HydrophobicContact SD-CE2 4.42Å
354	D	94	Very high	94.8	Very high	62 Å²	62	23.5 Å²	23.5	33%	0.332	14%	0.142	S	C	.	.	H	α-helix	trans	-66.3	-25.1	177.1	-75	-12.6	0	0	0	112.6	S114 N115 T116 S350 G351 G356	S114-D354 WeakPolarHBondContact CB-OD2 3.4Å; S114-D354 PolarHBondContact OG-OD2 3.42Å; N115-D354 WeakPolarHBondContact CA-OD1 3.16Å; N115-D354 WeakPolarHBondContact CB-OD1 3.31Å; N115-D354 PolarHBondContact N-OD1 3.16Å; N115-D354 PolarHBondContact N-OD2 3.43Å; N115-D354 PolarHBondContact ND2-OD1 3.1Å; T116-D354 WeakPolarHBondContact CB-OD2 3.49Å; T116-D354 PolarHBondContact N-OD2 3.04Å; T116-D354 PolarHBondContact OG1-OD2 2.9Å; S350-D354 WeakPolarHBondContact O-CB 3.21Å; S350-D354 VanDerWaalsContact O-CG 3.23Å; S350-D354 PolarHBondContact O-N 3.29Å; G351-D354 PolarHBondContact O-N 2.96Å; D354-G356 PolarHBondContact O-N 3.26Å
355	Q	92	Very high	94.8	Very high	111 Å²	111	23.5 Å²	23.5	52%	0.519	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-3	170.5	-69.8	168.9	9.6	0	0	113.5	G351 I352 M353	G351-Q355 VanDerWaalsContact O-CG 3.31Å; G351-Q355 WeakPolarHBondContact O-CG 3.44Å; G351-Q355 PolarHBondContact O-N 3.42Å; I352-Q355 PolarHBondContact O-N 3.45Å; M353-Q355 PolarHBondContact O-N 3.16Å
356	G	91.2	Very high	94.8	Very high	65 Å²	65	23.4 Å²	23.4	67%	0.67	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.1	17.6	179.4	0	0	0	0	0	114.5	M353 D354 S358	M353-G356 PolarHBondContact O-N 3.48Å; D354-G356 PolarHBondContact O-N 3.26Å; G356-S358 PolarHBondContact O-N 3.08Å
357	S	91.7	Very high	94.9	Very high	21 Å²	21	23.4 Å²	23.4	15%	0.147	14%	0.142	C	C	.	.			trans	-63.2	134.1	173.5	-177.4	0	0	0	0	111	Q53 I352 E359 F360	Q53-S357 PolarHBondContact NE2-OG 2.97Å; I352-S357 VanDerWaalsContact O-CB 3.31Å; I352-S357 WeakPolarHBondContact O-CB 3.47Å; I352-S357 PolarHBondContact O-N 3.42Å; S357-E359 PolarHBondContact OG-N 3.18Å; S357-E359 VanDerWaalsContact OG-N 3.09Å; S357-E359 PolarHBondContact OG-O 3.34Å; S357-F360 VanDerWaalsContact O-CD1 3.24Å; S357-F360 WeakPolarHBondContact O-CD1 3.48Å; S357-F360 WeakPolarHBondContact O-CE1 3.24Å
358	S	88.3	Confident	95	Very high	93 Å²	93	23 Å²	23	65%	0.65	14%	0.14	S	C	*	.	S	Bend	trans	-91.3	-9.6	167.4	56.7	0	0	0	0	113.3	G356 Q361	G356-S358 PolarHBondContact O-N 3.08Å; S358-Q361 PolarHBondContact O-NE2 3.42Å
359	E	90.7	Very high	95	Very high	56 Å²	56	23 Å²	23	26%	0.262	14%	0.14	S	C	.	.			trans	-108.6	89.4	-177.6	-60.3	179.2	145.1	0	0	108.5	S37 R38 M42 S357	S37-E359 WeakPolarHBondContact CA-OE2 3.49Å; S37-E359 WeakPolarHBondContact CB-OE2 3.46Å; S37-E359 PolarHBondContact OG-OE1 2.88Å; S37-E359 PolarHBondContact OG-OE2 3.45Å; R38-E359 PolarHBondContact N-OE2 3.04Å; M42-E359 HydrophobicContact CE-CB 4.14Å; M42-E359 HydrophobicContact CE-CG 4.17Å; M42-E359 HydrophobicContact SD-CB 4.3Å; M42-E359 HydrophobicContact SD-CG 4.27Å; S357-E359 PolarHBondContact OG-N 3.18Å; S357-E359 VanDerWaalsContact OG-N 3.09Å; S357-E359 PolarHBondContact OG-O 3.34Å
360	F	94.3	Very high	95.2	Very high	24 Å²	24	23.7 Å²	23.7	11%	0.105	14%	0.143	C	C	.	.			trans	-143.5	4.2	178.7	58.7	-99.6	0	0	0	113	N287 N288 I352 M353 S357 L362 E363 A364	N287-F360 HydrophobicContact CB-CE2 4.36Å; N288-F360 HydrophobicContact CB-CZ 4.49Å; I352-F360 HydrophobicContact CG2-CB 4.29Å; M353-F360 HydrophobicContact CE-CE2 4.3Å; M353-F360 HydrophobicContact CE-CZ 4.31Å; M353-F360 HydrophobicContact CG-CB 4.47Å; M353-F360 HydrophobicContact CG-CD1 3.98Å; M353-F360 HydrophobicContact CG-CD2 4.22Å; M353-F360 HydrophobicContact CG-CE1 4.26Å; M353-F360 HydrophobicContact CG-CG 3.97Å; M353-F360 HydrophobicContact SD-CD2 4.33Å; M353-F360 HydrophobicContact SD-CE2 4.42Å; S357-F360 VanDerWaalsContact O-CD1 3.24Å; S357-F360 WeakPolarHBondContact O-CD1 3.48Å; S357-F360 WeakPolarHBondContact O-CE1 3.24Å; F360-L362 VanDerWaalsContact C-N 3.34Å; F360-L362 PolarHBondContact O-N 3.42Å; F360-E363 VanDerWaalsContact CA-OE2 3.31Å; F360-E363 WeakPolarHBondContact CA-OE2 3.49Å; F360-E363 PolarHBondContact O-N 2.97Å; F360-A364 HydrophobicContact CD2-CB 4.45Å; F360-A364 VanDerWaalsContact O-CB 3.26Å; F360-A364 WeakPolarHBondContact O-CB 3.16Å; F360-A364 PolarHBondContact O-N 3.43Å
361	Q	95	Very high	95.3	Very high	30 Å²	30	23.7 Å²	23.7	14%	0.14	14%	0.143	C	C	.	.	H	α-helix	trans	-64.6	-40	-171.7	-57.7	80.8	-7.4	0	0	111.2	N287 S358 A365 F420 F424	N287-Q361 HydrophobicContact CB-CB 4.45Å; N287-Q361 HydrophobicContact CB-CG 4.06Å; N287-Q361 VanDerWaalsContact ND2-CG 3.31Å; N287-Q361 WeakPolarHBondContact ND2-CG 3.46Å; S358-Q361 PolarHBondContact O-NE2 3.42Å; Q361-A365 WeakPolarHBondContact O-CB 3.41Å; Q361-A365 PolarHBondContact O-N 3.27Å; Q361-F420 HydrophobicContact CB-CE1 4.32Å; Q361-F420 HydrophobicContact CB-CZ 3.88Å; Q361-F424 HydrophobicContact CB-CE1 4.49Å
362	L	96.8	Very high	95.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-66	-49.5	176.7	-74.3	179.5	0	0	0	110.8	A41 M42 F45 F360 A364 A365 M366 F420 I421 F424	A41-L362 HydrophobicContact CB-CB 3.64Å; A41-L362 HydrophobicContact CB-CD1 4.04Å; M42-L362 HydrophobicContact CG-CD1 3.79Å; F45-L362 HydrophobicContact CE2-CD1 4.5Å; F360-L362 VanDerWaalsContact C-N 3.34Å; F360-L362 PolarHBondContact O-N 3.42Å; L362-A364 VanDerWaalsContact C-N 3.31Å; L362-A364 PolarHBondContact O-N 3.36Å; L362-A365 PolarHBondContact O-N 3.32Å; L362-M366 HydrophobicContact CB-CE 4.12Å; L362-M366 WeakPolarHBondContact O-CB 3.43Å; L362-M366 WeakPolarHBondContact O-CG 3.41Å; L362-M366 PolarHBondContact O-N 3.11Å; L362-F420 HydrophobicContact CD2-CE1 4.26Å; L362-I421 HydrophobicContact CD2-CB 4.41Å; L362-I421 HydrophobicContact CD2-CG1 4.4Å; L362-F424 HydrophobicContact CD1-CD1 4.21Å; L362-F424 HydrophobicContact CD2-CB 4.12Å; L362-F424 HydrophobicContact CD2-CD1 3.75Å; L362-F424 HydrophobicContact CD2-CG 4.43Å; L362-F424 HydrophobicContact CG-CD1 3.75Å; L362-F424 HydrophobicContact CG-CE1 4.33Å
363	E	97.2	Very high	95.7	Very high	1 Å²	1	26 Å²	26	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-59.2	-44.2	178.8	-65.2	82.5	172.6	0	0	110.6	S39 A41 I349 F360 M366 S367 F504	S39-E363 PolarHBondContact OG-OE1 3.4Å; A41-E363 VanDerWaalsContact CB-CD 3.41Å; A41-E363 HydrophobicContact CB-CG 3.93Å; A41-E363 WeakPolarHBondContact CB-OE1 3.38Å; A41-E363 PolarHBondContact N-OE1 3.5Å; I349-E363 HydrophobicContact CD1-CB 3.77Å; I349-E363 WeakPolarHBondContact CD1-O 3.49Å; I349-E363 HydrophobicContact CG1-CB 3.66Å; F360-E363 VanDerWaalsContact CA-OE2 3.31Å; F360-E363 WeakPolarHBondContact CA-OE2 3.49Å; F360-E363 PolarHBondContact O-N 2.97Å; E363-M366 PolarHBondContact O-N 2.98Å; E363-S367 WeakPolarHBondContact O-CB 3.38Å; E363-S367 PolarHBondContact O-N 2.87Å; E363-S367 PolarHBondContact O-OG 3.31Å; E363-F504 HydrophobicContact CB-CE1 3.93Å; E363-F504 HydrophobicContact CB-CE2 4.34Å; E363-F504 HydrophobicContact CB-CZ 3.68Å; E363-F504 HydrophobicContact CG-CD2 4.35Å; E363-F504 HydrophobicContact CG-CE1 4.11Å; E363-F504 HydrophobicContact CG-CE2 3.64Å; E363-F504 HydrophobicContact CG-CZ 3.51Å
364	A	97.3	Very high	95.9	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-59.7	-46.7	176	0	0	0	0	0	112.2	R290 F360 L362 S367 K368	R290-A364 HydrophobicContact CB-CB 4.15Å; F360-A364 HydrophobicContact CD2-CB 4.45Å; F360-A364 VanDerWaalsContact O-CB 3.26Å; F360-A364 WeakPolarHBondContact O-CB 3.16Å; F360-A364 PolarHBondContact O-N 3.43Å; L362-A364 VanDerWaalsContact C-N 3.31Å; L362-A364 PolarHBondContact O-N 3.36Å; A364-S367 PolarHBondContact O-N 2.94Å; A364-K368 WeakPolarHBondContact O-CB 3.22Å; A364-K368 PolarHBondContact O-N 3.16Å
365	A	98	Very high	96.1	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-64.1	-45.1	176	0	0	0	0	0	112.1	Q361 L362 S367 K368 I369 L417 F420 I421	Q361-A365 WeakPolarHBondContact O-CB 3.41Å; Q361-A365 PolarHBondContact O-N 3.27Å; L362-A365 PolarHBondContact O-N 3.32Å; A365-S367 VanDerWaalsContact C-N 3.29Å; A365-S367 PolarHBondContact O-N 3.25Å; A365-K368 PolarHBondContact O-N 3.02Å; A365-I369 WeakPolarHBondContact O-CG1 3.41Å; A365-I369 PolarHBondContact O-N 2.91Å; A365-I369 VanDerWaalsContact O-N 3.08Å; A365-L417 HydrophobicContact CB-CD2 4.24Å; A365-F420 HydrophobicContact CB-CD1 3.71Å; A365-F420 HydrophobicContact CB-CE1 3.85Å; A365-I421 HydrophobicContact CB-CD1 4.02Å; A365-I421 HydrophobicContact CB-CG1 3.8Å
366	M	98.5	Very high	96.4	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-59.5	-42.9	178.4	-71.3	172.5	-169.5	0	0	111.2	A41 M44 F45 M345 L362 E363 I369 Y370 I421 A500 I501 F504	A41-M366 HydrophobicContact CB-CE 3.89Å; A41-M366 HydrophobicContact CB-SD 4.22Å; M44-M366 HydrophobicContact CE-CE 3.61Å; M44-M366 HydrophobicContact CE-SD 4.48Å; F45-M366 HydrophobicContact CE2-CE 4.49Å; M345-M366 HydrophobicContact CE-CB 4.37Å; L362-M366 HydrophobicContact CB-CE 4.12Å; L362-M366 WeakPolarHBondContact O-CB 3.43Å; L362-M366 WeakPolarHBondContact O-CG 3.41Å; L362-M366 PolarHBondContact O-N 3.11Å; E363-M366 PolarHBondContact O-N 2.98Å; M366-I369 PolarHBondContact O-N 3.33Å; M366-Y370 VanDerWaalsContact O-CB 3.3Å; M366-Y370 WeakPolarHBondContact O-CB 3.32Å; M366-Y370 PolarHBondContact O-N 3.42Å; M366-I421 HydrophobicContact CB-CD1 4.32Å; M366-I421 HydrophobicContact CE-CG2 3.64Å; M366-I421 HydrophobicContact CG-CD1 3.63Å; M366-I421 HydrophobicContact CG-CG1 4.07Å; M366-I421 HydrophobicContact CG-CG2 4.41Å; M366-A500 HydrophobicContact CE-CB 4.04Å; M366-I501 HydrophobicContact CB-CG1 3.9Å; M366-I501 HydrophobicContact CG-CG1 3.72Å; M366-F504 HydrophobicContact CB-CD1 4.07Å; M366-F504 HydrophobicContact SD-CB 3.71Å; M366-F504 HydrophobicContact SD-CD1 3.94Å; M366-F504 HydrophobicContact SD-CG 3.95Å
367	S	98.3	Very high	96.8	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.007	10%	0.101	C	C	.	.	H	α-helix	trans	-71.1	-38.4	-178.7	-60.6	0	0	0	0	112.4	M345 I349 E363 A364 A365 Y370 S371	M345-S367 WeakPolarHBondContact CE-OG 3.1Å; I349-S367 VanDerWaalsContact CD1-CB 3.47Å; I349-S367 WeakPolarHBondContact CD1-OG 3.5Å; E363-S367 WeakPolarHBondContact O-CB 3.38Å; E363-S367 PolarHBondContact O-N 2.87Å; E363-S367 PolarHBondContact O-OG 3.31Å; A364-S367 PolarHBondContact O-N 2.94Å; A365-S367 VanDerWaalsContact C-N 3.29Å; A365-S367 PolarHBondContact O-N 3.25Å; S367-Y370 PolarHBondContact O-N 3.36Å; S367-S371 WeakPolarHBondContact O-CB 3.46Å; S367-S371 PolarHBondContact O-N 3.01Å; S367-S371 PolarHBondContact O-OG 3.15Å
368	K	98.2	Very high	97.2	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-58.8	-49.4	173.5	-171.3	-75.1	-168.8	171.8	0	111	R290 I293 A364 A365 S371 S372 V407 Y410 G412 N414 L417	R290-K368 HydrophobicContact CB-CB 4.47Å; R290-K368 HydrophobicContact CG-CB 4.41Å; R290-K368 HydrophobicContact CG-CG 4.31Å; I293-K368 HydrophobicContact CB-CG 4.49Å; I293-K368 HydrophobicContact CD1-CG 3.86Å; I293-K368 HydrophobicContact CG2-CG 4.27Å; A364-K368 WeakPolarHBondContact O-CB 3.22Å; A364-K368 PolarHBondContact O-N 3.16Å; A365-K368 PolarHBondContact O-N 3.02Å; K368-S371 PolarHBondContact O-OG 3.21Å; K368-S372 VanDerWaalsContact O-CB 3.24Å; K368-S372 WeakPolarHBondContact O-CB 3.45Å; K368-S372 PolarHBondContact O-N 3.33Å; K368-S372 PolarHBondContact O-OG 2.84Å; K368-V407 WeakPolarHBondContact CE-O 3.37Å; K368-V407 PolarHBondContact NZ-O 3.17Å; K368-Y410 VanDerWaalsContact CE-O 3.3Å; K368-Y410 WeakPolarHBondContact CE-O 3.44Å; K368-Y410 PolarHBondContact NZ-O 2.92Å; K368-G412 PolarHBondContact NZ-O 3.35Å; K368-N414 PolarHBondContact NZ-OD1 3.33Å; K368-L417 HydrophobicContact CB-CD1 4.38Å; K368-L417 HydrophobicContact CD-CD1 3.6Å; K368-L417 HydrophobicContact CG-CD1 4.14Å
369	I	98.7	Very high	97.7	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.005	6%	0.063	C	C	.	.	H	α-helix	trans	-61.9	-53.3	178.6	-65.5	162.1	0	0	0	109.9	A365 M366 S371 S372 E373 N414 L417 R418 I421 I501	A365-I369 WeakPolarHBondContact O-CG1 3.41Å; A365-I369 PolarHBondContact O-N 2.91Å; A365-I369 VanDerWaalsContact O-N 3.08Å; M366-I369 PolarHBondContact O-N 3.33Å; I369-S371 VanDerWaalsContact C-N 3.34Å; I369-S371 PolarHBondContact O-N 3.03Å; I369-S372 PolarHBondContact O-N 3.02Å; I369-S372 PolarHBondContact O-OG 3.08Å; I369-E373 PolarHBondContact O-N 2.82Å; I369-E373 VanDerWaalsContact O-N 3.13Å; I369-N414 HydrophobicContact CG1-CB 4.25Å; I369-N414 HydrophobicContact CG2-CB 4.48Å; I369-L417 HydrophobicContact CD1-CB 3.61Å; I369-L417 HydrophobicContact CG1-CB 3.9Å; I369-L417 HydrophobicContact CG1-CD1 4.34Å; I369-R418 HydrophobicContact CD1-CG 3.89Å; I369-I421 HydrophobicContact CD1-CD1 3.49Å; I369-I421 VanDerWaalsContact CD1-CD1 3.49Å; I369-I501 HydrophobicContact CB-CD1 3.98Å; I369-I501 HydrophobicContact CD1-CD1 3.77Å; I369-I501 HydrophobicContact CG2-CD1 3.75Å
370	Y	98.7	Very high	98	Very high	15 Å²	15	15 Å²	15	6%	0.059	7%	0.069	C	C	.	.	H	α-helix	trans	-58.8	-45.8	-176.5	-170	-85.3	0	0	0	112	A341 M345 M366 S367 S374 I501 A505 F534	A341-Y370 HydrophobicContact CB-CE1 3.62Å; A341-Y370 WeakPolarHBondContact CB-OH 3.46Å; M345-Y370 HydrophobicContact CE-CG 4.25Å; M345-Y370 HydrophobicContact SD-CD1 3.62Å; M345-Y370 HydrophobicContact SD-CD2 4.34Å; M345-Y370 HydrophobicContact SD-CE1 4.3Å; M345-Y370 HydrophobicContact SD-CG 3.65Å; M366-Y370 VanDerWaalsContact O-CB 3.3Å; M366-Y370 WeakPolarHBondContact O-CB 3.32Å; M366-Y370 PolarHBondContact O-N 3.42Å; S367-Y370 PolarHBondContact O-N 3.36Å; Y370-S374 WeakPolarHBondContact CE1-OG 3.48Å; Y370-S374 WeakPolarHBondContact O-CB 3.4Å; Y370-S374 PolarHBondContact O-N 3.44Å; Y370-S374 PolarHBondContact O-OG 3.23Å; Y370-I501 HydrophobicContact CD2-CG2 3.71Å; Y370-I501 HydrophobicContact CG-CG2 4.31Å; Y370-A505 HydrophobicContact CD2-CB 4.33Å; Y370-A505 HydrophobicContact CE2-CB 4.09Å; Y370-F534 VanDerWaalsContact OH-CE2 3.29Å; Y370-F534 WeakPolarHBondContact OH-CE2 3.41Å
371	S	98.8	Very high	98.3	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.007	7%	0.069	C	C	.	.	H	α-helix	trans	-70.2	-41.7	-176.6	72.5	0	0	0	0	112.2	A294 S367 K368 I369 S374 A375	A294-S371 WeakPolarHBondContact CA-OG 3.42Å; S367-S371 WeakPolarHBondContact O-CB 3.46Å; S367-S371 PolarHBondContact O-N 3.01Å; S367-S371 PolarHBondContact O-OG 3.15Å; K368-S371 PolarHBondContact O-OG 3.21Å; I369-S371 VanDerWaalsContact C-N 3.34Å; I369-S371 PolarHBondContact O-N 3.03Å; S371-S374 PolarHBondContact O-N 3.18Å; S371-A375 VanDerWaalsContact O-CB 3.24Å; S371-A375 WeakPolarHBondContact O-CB 3.43Å; S371-A375 PolarHBondContact O-N 3.44Å
372	S	98.7	Very high	98.4	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-65.5	-43.9	-179.2	61.4	0	0	0	0	112	K368 I369 W376 N414	K368-S372 VanDerWaalsContact O-CB 3.24Å; K368-S372 WeakPolarHBondContact O-CB 3.45Å; K368-S372 PolarHBondContact O-N 3.33Å; K368-S372 PolarHBondContact O-OG 2.84Å; I369-S372 PolarHBondContact O-N 3.02Å; I369-S372 PolarHBondContact O-OG 3.08Å; S372-W376 PolarHBondContact O-N 3.42Å; S372-W376 VanDerWaalsContact O-N 3.15Å; S372-N414 PolarHBondContact OG-ND2 3.06Å; S372-N414 PolarHBondContact OG-OD1 2.86Å
373	E	98.7	Very high	98.5	Very high	50 Å²	50	14.9 Å²	14.9	23%	0.234	7%	0.069	C	C	.	.	H	α-helix	trans	-72.4	-36.9	177.9	-68	176.1	-176.8	0	0	111.8	I369 F377 N414 R418	I369-E373 PolarHBondContact O-N 2.82Å; I369-E373 VanDerWaalsContact O-N 3.13Å; E373-F377 WeakPolarHBondContact O-CB 3.44Å; E373-F377 PolarHBondContact O-N 3.42Å; E373-N414 VanDerWaalsContact CG-ND2 3.34Å; E373-N414 WeakPolarHBondContact CG-ND2 3.39Å; E373-N414 PolarHBondContact OE1-ND2 2.92Å; E373-R418 VanDerWaalsContact CD-NH2 3.26Å; E373-R418 IonicContact OE1-CZ 3.16Å; E373-R418 VanDerWaalsContact OE1-CZ 3.29Å; E373-R418 IonicContact OE1-NH1 3.08Å; E373-R418 PolarHBondContact OE1-NH1 2.79Å; E373-R418 IonicContact OE1-NH2 3.38Å; E373-R418 PolarHBondContact OE1-NH2 3.1Å; E373-R418 IonicContact OE2-NH2 2.64Å; E373-R418 PolarHBondContact OE2-NH2 3.49Å
374	S	98.8	Very high	98.6	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.007	10%	0.096	C	C	.	.	H	α-helix	trans	-67.9	-40.2	176.4	-69.5	0	0	0	0	112.5	Y370 S371 F377 V378	Y370-S374 WeakPolarHBondContact CE1-OG 3.48Å; Y370-S374 WeakPolarHBondContact O-CB 3.4Å; Y370-S374 PolarHBondContact O-N 3.44Å; Y370-S374 PolarHBondContact O-OG 3.23Å; S371-S374 PolarHBondContact O-N 3.18Å; S374-F377 PolarHBondContact O-N 3.21Å; S374-V378 WeakPolarHBondContact O-CB 3.34Å; S374-V378 VanDerWaalsContact O-CG2 3.29Å; S374-V378 WeakPolarHBondContact O-CG2 3.25Å; S374-V378 PolarHBondContact O-N 3.18Å
375	A	98.9	Very high	98.6	Very high	2 Å²	2	21 Å²	21	2%	0.017	10%	0.098	C	C	.	.	H	α-helix	trans	-66.6	-40.9	176.9	0	0	0	0	0	112	M297 M301 S371 V378 C379 L404	M297-A375 HydrophobicContact CB-CB 3.98Å; M297-A375 HydrophobicContact CG-CB 4.12Å; M297-A375 HydrophobicContact SD-CB 3.53Å; M297-A375 VanDerWaalsContact SD-CB 3.53Å; M301-A375 HydrophobicContact CG-CB 3.83Å; M301-A375 HydrophobicContact SD-CB 4.18Å; S371-A375 VanDerWaalsContact O-CB 3.24Å; S371-A375 WeakPolarHBondContact O-CB 3.43Å; S371-A375 PolarHBondContact O-N 3.44Å; A375-V378 PolarHBondContact O-N 3.42Å; A375-C379 WeakPolarHBondContact O-CB 3.49Å; A375-C379 PolarHBondContact O-N 2.77Å; A375-L404 HydrophobicContact CB-CD1 4.39Å; A375-L404 HydrophobicContact CB-CD2 3.64Å; A375-L404 WeakPolarHBondContact O-CD1 3.31Å
376	W	98.7	Very high	98.7	Very high	69 Å²	69	21.8 Å²	21.8	26%	0.261	10%	0.102	S	C	.	.	H	α-helix	trans	-55.6	-54.3	171.6	-179.9	-90.9	0	0	0	111.5	S372 V378 C379 D380 M401 L404 R405	S372-W376 PolarHBondContact O-N 3.42Å; S372-W376 VanDerWaalsContact O-N 3.15Å; W376-V378 VanDerWaalsContact C-N 3.32Å; W376-V378 PolarHBondContact O-N 2.84Å; W376-C379 PolarHBondContact O-N 3.24Å; W376-D380 WeakPolarHBondContact O-CB 3.33Å; W376-D380 PolarHBondContact O-N 3.31Å; W376-M401 HydrophobicContact CH2-CE 4.4Å; W376-M401 HydrophobicContact CH2-CG 3.98Å; W376-M401 HydrophobicContact CZ2-CE 4.25Å; W376-M401 HydrophobicContact CZ3-CG 3.99Å; W376-M401 WeakPolarHBondContact CZ3-O 3.38Å; W376-L404 HydrophobicContact CE3-CB 4.21Å; W376-R405 HydrophobicContact CZ3-CB 3.83Å; W376-R405 HydrophobicContact CZ3-CG 4.46Å
377	F	98.8	Very high	98.6	Very high	50 Å²	50	23.3 Å²	23.3	22%	0.219	12%	0.118	C	C	.	.	H	α-helix	trans	-57.2	-43.6	178.3	174.3	-88.9	0	0	0	112.5	A334 M335 R338 E373 S374 D380 E381	A334-F377 HydrophobicContact CB-CE1 4.11Å; A334-F377 HydrophobicContact CB-CZ 4.2Å; M335-F377 HydrophobicContact CG-CE1 4.4Å; R338-F377 VanDerWaalsContact NE-CD1 3.3Å; E373-F377 WeakPolarHBondContact O-CB 3.44Å; E373-F377 PolarHBondContact O-N 3.42Å; S374-F377 PolarHBondContact O-N 3.21Å; F377-D380 PolarHBondContact O-N 3.24Å; F377-E381 HydrophobicContact CD1-CG 4.24Å; F377-E381 HydrophobicContact CD2-CG 4.35Å; F377-E381 HydrophobicContact CE1-CG 3.8Å; F377-E381 HydrophobicContact CE2-CG 3.9Å; F377-E381 HydrophobicContact CZ-CG 3.61Å; F377-E381 WeakPolarHBondContact O-CB 2.98Å; F377-E381 WeakPolarHBondContact O-CG 3.39Å; F377-E381 PolarHBondContact O-N 3.49Å
378	V	98.9	Very high	98.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-67.5	-38.6	-179.3	166.9	0	0	0	0	111.9	M301 C304 I305 M335 R338 S374 A375 W376 C382	M301-V378 HydrophobicContact CB-CG1 4.09Å; M301-V378 HydrophobicContact CE-CB 4.28Å; M301-V378 HydrophobicContact CE-CG2 3.5Å; M301-V378 VanDerWaalsContact CE-CG2 3.5Å; M301-V378 HydrophobicContact CG-CB 4.09Å; M301-V378 HydrophobicContact CG-CG1 4.18Å; M301-V378 HydrophobicContact CG-CG2 4.29Å; C304-V378 HydrophobicContact CB-CG1 3.79Å; I305-V378 HydrophobicContact CD1-CG1 4.25Å; I305-V378 HydrophobicContact CG1-CG1 3.83Å; M335-V378 HydrophobicContact CB-CG1 4.4Å; M335-V378 HydrophobicContact CB-CG2 3.85Å; M335-V378 HydrophobicContact CE-CG1 3.86Å; M335-V378 WeakPolarHBondContact CE-O 3.49Å; M335-V378 HydrophobicContact CG-CG1 4.49Å; M335-V378 HydrophobicContact CG-CG2 4.08Å; R338-V378 HydrophobicContact CB-CG2 4.48Å; S374-V378 WeakPolarHBondContact O-CB 3.34Å; S374-V378 VanDerWaalsContact O-CG2 3.29Å; S374-V378 WeakPolarHBondContact O-CG2 3.25Å; S374-V378 PolarHBondContact O-N 3.18Å; A375-V378 PolarHBondContact O-N 3.42Å; W376-V378 VanDerWaalsContact C-N 3.32Å; W376-V378 PolarHBondContact O-N 2.84Å; V378-C382 VanDerWaalsContact O-CB 3.22Å; V378-C382 WeakPolarHBondContact O-CB 3.37Å; V378-C382 PolarHBondContact O-N 2.79Å
379	C	98.8	Very high	98.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-66.8	-43.6	176.1	-170.1	0	0	0	0	111.6	A375 W376 C382 I383 L404	A375-C379 WeakPolarHBondContact O-CB 3.49Å; A375-C379 PolarHBondContact O-N 2.77Å; W376-C379 PolarHBondContact O-N 3.24Å; C379-C382 WeakPolarHBondContact O-CB 3.4Å; C379-C382 PolarHBondContact O-N 3.46Å; C379-I383 WeakPolarHBondContact O-CG1 3.07Å; C379-I383 PolarHBondContact O-N 3.28Å; C379-L404 HydrophobicContact CB-CD1 3.44Å; C379-L404 VanDerWaalsContact CB-CD1 3.44Å
380	D	98.7	Very high	98.4	Very high	70 Å²	70	30.7 Å²	30.7	37%	0.374	17%	0.169	S	C	.	.	H	α-helix	trans	-60	-51.1	177.5	-174.3	52.2	0	0	0	111.9	W376 F377 C382 I383 Q384 M401	W376-D380 WeakPolarHBondContact O-CB 3.33Å; W376-D380 PolarHBondContact O-N 3.31Å; F377-D380 PolarHBondContact O-N 3.24Å; D380-C382 VanDerWaalsContact C-N 3.27Å; D380-C382 PolarHBondContact O-N 2.82Å; D380-I383 PolarHBondContact O-N 3.23Å; D380-I383 VanDerWaalsContact O-N 3.15Å; D380-Q384 PolarHBondContact O-N 3.49Å; D380-M401 HydrophobicContact CB-CE 3.86Å; D380-M401 WeakPolarHBondContact OD1-CE 3.3Å
381	E	98.8	Very high	98.3	Very high	26 Å²	26	38.8 Å²	38.8	12%	0.121	20%	0.201	C	C	.	.	H	α-helix	trans	-64.4	-31.6	176.9	-73.6	-65.8	172.4	0	0	112.9	K331 M335 F377 Q384 I385	K331-E381 WeakPolarHBondContact CD-OE2 3.19Å; K331-E381 WeakPolarHBondContact CE-OE2 3.29Å; K331-E381 VanDerWaalsContact CG-OE2 3.31Å; K331-E381 WeakPolarHBondContact CG-OE2 3.31Å; K331-E381 VanDerWaalsContact NZ-CD 3.27Å; K331-E381 IonicContact NZ-OE1 3.22Å; K331-E381 PolarHBondContact NZ-OE1 2.91Å; K331-E381 VanDerWaalsContact NZ-OE1 3.08Å; K331-E381 IonicContact NZ-OE2 3.32Å; K331-E381 PolarHBondContact NZ-OE2 2.79Å; M335-E381 HydrophobicContact CG-CB 3.94Å; M335-E381 HydrophobicContact SD-CB 3.79Å; F377-E381 HydrophobicContact CD1-CG 4.24Å; F377-E381 HydrophobicContact CD2-CG 4.35Å; F377-E381 HydrophobicContact CE1-CG 3.8Å; F377-E381 HydrophobicContact CE2-CG 3.9Å; F377-E381 HydrophobicContact CZ-CG 3.61Å; F377-E381 WeakPolarHBondContact O-CB 2.98Å; F377-E381 WeakPolarHBondContact O-CG 3.39Å; F377-E381 PolarHBondContact O-N 3.49Å; E381-Q384 PolarHBondContact O-N 3.48Å; E381-I385 WeakPolarHBondContact O-CB 3.43Å; E381-I385 VanDerWaalsContact O-CG1 3.25Å; E381-I385 WeakPolarHBondContact O-CG1 3.45Å; E381-I385 PolarHBondContact O-N 3.31Å
382	C	98.8	Very high	98.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-62.3	-49.9	172.4	-176.3	0	0	0	0	111	C304 A308 M335 V378 C379 D380 Q384 I385 L386 L397	C304-C382 HydrophobicContact CB-CB 3.95Å; C304-C382 PolarHBondContact O-SG 3.22Å; A308-C382 HydrophobicContact CB-CB 4.42Å; M335-C382 HydrophobicContact CE-CB 3.96Å; V378-C382 VanDerWaalsContact O-CB 3.22Å; V378-C382 WeakPolarHBondContact O-CB 3.37Å; V378-C382 PolarHBondContact O-N 2.79Å; C379-C382 WeakPolarHBondContact O-CB 3.4Å; C379-C382 PolarHBondContact O-N 3.46Å; D380-C382 VanDerWaalsContact C-N 3.27Å; D380-C382 PolarHBondContact O-N 2.82Å; C382-Q384 VanDerWaalsContact C-N 3.27Å; C382-Q384 PolarHBondContact O-N 3.3Å; C382-I385 PolarHBondContact O-N 3.16Å; C382-L386 WeakPolarHBondContact O-CD1 3.36Å; C382-L386 PolarHBondContact O-N 2.88Å; C382-L397 HydrophobicContact CB-CD1 4.37Å; C382-L397 WeakPolarHBondContact SG-CD1 3.46Å
383	I	98.7	Very high	98.1	Very high	26 Å²	26	51.9 Å²	51.9	13%	0.133	26%	0.261	C	S	.	.	H	α-helix	trans	-57.8	-44.6	176.4	-68.2	169.3	0	0	0	110	C379 D380 I385 L386 G387 L397 M401	C379-I383 WeakPolarHBondContact O-CG1 3.07Å; C379-I383 PolarHBondContact O-N 3.28Å; D380-I383 PolarHBondContact O-N 3.23Å; D380-I383 VanDerWaalsContact O-N 3.15Å; I383-I385 PolarHBondContact O-N 3.4Å; I383-L386 PolarHBondContact O-N 3.12Å; I383-G387 PolarHBondContact O-N 3.09Å; I383-L397 HydrophobicContact CD1-CB 4.13Å; I383-L397 HydrophobicContact CG1-CB 3.71Å; I383-L397 HydrophobicContact CG1-CD1 3.92Å; I383-L397 HydrophobicContact CG1-CG 4.42Å; I383-M401 HydrophobicContact CD1-CB 4.19Å; I383-M401 HydrophobicContact CD1-CE 4.1Å; I383-M401 HydrophobicContact CD1-SD 3.71Å
384	Q	98.4	Very high	97.9	Very high	124 Å²	124	58.7 Å²	58.7	58%	0.579	29%	0.293	S	S	*	.	H	α-helix	trans	-61.5	-40.5	179.1	-173.3	59.3	76.3	0	0	113.2	D380 E381 C382 G387	D380-Q384 PolarHBondContact O-N 3.49Å; E381-Q384 PolarHBondContact O-N 3.48Å; C382-Q384 VanDerWaalsContact C-N 3.27Å; C382-Q384 PolarHBondContact O-N 3.3Å; Q384-G387 PolarHBondContact O-N 3.32Å
385	I	98.6	Very high	97.7	Very high	6 Å²	6	59.6 Å²	59.6	3%	0.031	30%	0.299	C	S	.	.	H	α-helix	trans	-67.5	-37.3	176.6	-71.1	165.6	0	0	0	111.2	A308 H311 A312 I328 K331 I332 M335 E381 C382 I383 G387	A308-I385 HydrophobicContact CB-CB 4.45Å; A308-I385 HydrophobicContact CB-CD1 4.03Å; A308-I385 HydrophobicContact CB-CG2 4.26Å; H311-I385 PolarHBondContact CD2-O 3.48Å; A312-I385 HydrophobicContact CB-CG2 4.41Å; I328-I385 HydrophobicContact CD1-CG1 4.44Å; K331-I385 HydrophobicContact CB-CD1 3.94Å; K331-I385 HydrophobicContact CB-CG1 4.4Å; K331-I385 HydrophobicContact CD-CG1 4.2Å; I332-I385 HydrophobicContact CG1-CD1 3.95Å; M335-I385 HydrophobicContact SD-CD1 3.78Å; E381-I385 WeakPolarHBondContact O-CB 3.43Å; E381-I385 VanDerWaalsContact O-CG1 3.25Å; E381-I385 WeakPolarHBondContact O-CG1 3.45Å; E381-I385 PolarHBondContact O-N 3.31Å; C382-I385 PolarHBondContact O-N 3.16Å; I383-I385 PolarHBondContact O-N 3.4Å; I385-G387 VanDerWaalsContact C-N 3.27Å; I385-G387 PolarHBondContact O-N 3.23Å
386	L	98.4	Very high	97.6	Very high	15 Å²	15	60.7 Å²	60.7	8%	0.079	31%	0.311	C	S	.	.	H	α-helix	trans	-76.7	-13	177	-84.6	76.8	0	0	0	113.3	A308 H311 C382 I383 M389 C395 L397	A308-L386 HydrophobicContact CB-CD1 4.37Å; H311-L386 HydrophobicContact CB-CD1 4.04Å; H311-L386 HydrophobicContact CB-CG 3.99Å; C382-L386 WeakPolarHBondContact O-CD1 3.36Å; C382-L386 PolarHBondContact O-N 2.88Å; I383-L386 PolarHBondContact O-N 3.12Å; L386-M389 PolarHBondContact O-N 3.46Å; L386-C395 WeakPolarHBondContact CD2-SG 3.26Å; L386-L397 HydrophobicContact CD2-CD1 3.89Å
387	G	96.9	Very high	97.6	Very high	33 Å²	33	57.4 Å²	57.4	34%	0.34	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	-137.8	-179.1	0	0	0	0	0	112.1	I383 Q384 I385 M389 G390	I383-G387 PolarHBondContact O-N 3.09Å; Q384-G387 PolarHBondContact O-N 3.32Å; I385-G387 VanDerWaalsContact C-N 3.27Å; I385-G387 PolarHBondContact O-N 3.23Å; G387-M389 PolarHBondContact O-N 3.44Å; G387-M389 VanDerWaalsContact O-N 3.16Å; G387-G390 PolarHBondContact O-N 3.03Å
388	G	96.8	Very high	97.5	Very high	60 Å²	60	57.2 Å²	57.2	62%	0.619	30%	0.298	S	S	*	.	H	α-helix	trans	-54.8	-35	-179.3	0	0	0	0	0	113.7	G390 Y391 M392	G388-G390 VanDerWaalsContact C-N 3.32Å; G388-G390 PolarHBondContact O-N 3.44Å; G388-Y391 WeakPolarHBondContact O-CB 3.21Å; G388-Y391 PolarHBondContact O-N 2.9Å; G388-M392 WeakPolarHBondContact O-CG 3.32Å
389	M	96.6	Very high	97.5	Very high	96 Å²	96	57.8 Å²	57.8	47%	0.473	30%	0.3	S	S	.	.	H	α-helix	trans	-66.4	-33.9	176.7	-68.3	-169.2	-58.8	0	0	112.6	H311 L386 G387 Y391 M392 C395	H311-M389 WeakPolarHBondContact CE1-CE 3.27Å; H311-M389 WeakPolarHBondContact ND1-CE 3.41Å; L386-M389 PolarHBondContact O-N 3.46Å; G387-M389 PolarHBondContact O-N 3.44Å; G387-M389 VanDerWaalsContact O-N 3.16Å; M389-Y391 PolarHBondContact O-N 2.94Å; M389-M392 PolarHBondContact O-N 2.93Å; M389-C395 WeakPolarHBondContact O-CB 3.23Å
390	G	97.5	Very high	97.4	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-65	-25.1	177.3	0	0	0	0	0	112.9	G387 G388	G387-G390 PolarHBondContact O-N 3.03Å; G388-G390 VanDerWaalsContact C-N 3.32Å; G388-G390 PolarHBondContact O-N 3.44Å
391	Y	97.3	Very high	97.4	Very high	186 Å²	186	57.4 Å²	57.4	73%	0.729	30%	0.298	S	S	*	.	H	α-helix	trans	-82.1	-19.6	178.8	-167.8	-98.7	0	0	0	113.4	G388 M389	G388-Y391 WeakPolarHBondContact O-CB 3.21Å; G388-Y391 PolarHBondContact O-N 2.9Å; M389-Y391 PolarHBondContact O-N 2.94Å
392	M	97.5	Very high	97.4	Very high	113 Å²	113	58 Å²	58	56%	0.557	30%	0.299	S	S	*	.	S	Bend	trans	-78.6	142.3	-176.6	-56.8	-54.9	-77.8	0	0	111.7	G388 M389 E394 C395	G388-M392 WeakPolarHBondContact O-CG 3.32Å; M389-M392 PolarHBondContact O-N 2.93Å; M392-E394 PolarHBondContact O-N 3.25Å; M392-C395 WeakPolarHBondContact O-CB 3.35Å; M392-C395 PolarHBondContact O-N 3.05Å
393	K	95.9	Very high	97.4	Very high	162 Å²	162	58.1 Å²	58.1	70%	0.704	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-54.1	-38.3	175.5	-73.7	-173.4	174.6	-176.6	0	113.2	C395 G396 E398	K393-C395 PolarHBondContact O-N 3.39Å; K393-C395 VanDerWaalsContact O-N 3.1Å; K393-G396 WeakPolarHBondContact O-CA 3.46Å; K393-G396 PolarHBondContact O-N 3.16Å; K393-E398 HydrophobicContact CG-CG 4.09Å
394	E	94.5	Very high	97.4	Very high	193 Å²	193	56.9 Å²	56.9	90%	0.902	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-51.2	-34	175.8	-163.8	84.3	-162.1	0	0	112.6	M392 G396	M392-E394 PolarHBondContact O-N 3.25Å; E394-G396 VanDerWaalsContact C-N 3.31Å; E394-G396 PolarHBondContact O-N 2.96Å
395	C	94.8	Very high	97.3	Very high	20 Å²	20	55.4 Å²	55.4	14%	0.135	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-74.1	-23.2	179.2	-169.2	0	0	0	0	112.9	K307 L386 M389 M392 K393 L397	K307-C395 PolarHBondContact NZ-O 3.4Å; L386-C395 WeakPolarHBondContact CD2-SG 3.26Å; M389-C395 WeakPolarHBondContact O-CB 3.23Å; M392-C395 WeakPolarHBondContact O-CB 3.35Å; M392-C395 PolarHBondContact O-N 3.05Å; K393-C395 PolarHBondContact O-N 3.39Å; K393-C395 VanDerWaalsContact O-N 3.1Å; C395-L397 PolarHBondContact O-N 2.75Å
396	G	96.2	Very high	97.3	Very high	26 Å²	26	57.8 Å²	57.8	27%	0.268	30%	0.295	S	S	.	.	S	Bend	trans	74.5	-5.7	180	0	0	0	0	0	115.5	K393 E394 E398 K399 V400	K393-G396 WeakPolarHBondContact O-CA 3.46Å; K393-G396 PolarHBondContact O-N 3.16Å; E394-G396 VanDerWaalsContact C-N 3.31Å; E394-G396 PolarHBondContact O-N 2.96Å; G396-E398 VanDerWaalsContact C-N 3.32Å; G396-E398 PolarHBondContact O-N 2.85Å; G396-K399 PolarHBondContact O-N 2.95Å; G396-V400 PolarHBondContact O-N 3.26Å
397	L	98.1	Very high	97.2	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-68.9	-29.6	179.8	-71.3	174	0	0	0	112.7	F303 K307 C382 I383 L386 C395 K399 V400 M401	F303-L397 HydrophobicContact CE1-CD2 4.08Å; K307-L397 HydrophobicContact CD-CD2 4Å; K307-L397 HydrophobicContact CD-CG 4.22Å; C382-L397 HydrophobicContact CB-CD1 4.37Å; C382-L397 WeakPolarHBondContact SG-CD1 3.46Å; I383-L397 HydrophobicContact CD1-CB 4.13Å; I383-L397 HydrophobicContact CG1-CB 3.71Å; I383-L397 HydrophobicContact CG1-CD1 3.92Å; I383-L397 HydrophobicContact CG1-CG 4.42Å; L386-L397 HydrophobicContact CD2-CD1 3.89Å; C395-L397 PolarHBondContact O-N 2.75Å; L397-K399 VanDerWaalsContact C-N 3.32Å; L397-K399 PolarHBondContact O-N 2.75Å; L397-V400 PolarHBondContact O-N 3.25Å; L397-M401 WeakPolarHBondContact O-CB 3.49Å; L397-M401 PolarHBondContact O-N 3.36Å
398	E	97.5	Very high	97.3	Very high	46 Å²	46	59 Å²	59	22%	0.215	29%	0.288	C	S	.	.	H	α-helix	trans	-62	-40	176.3	68	78.8	-136	0	0	111.7	K393 G396 M401 R402	K393-E398 HydrophobicContact CG-CG 4.09Å; G396-E398 VanDerWaalsContact C-N 3.32Å; G396-E398 PolarHBondContact O-N 2.85Å; E398-M401 PolarHBondContact O-N 2.94Å; E398-R402 WeakPolarHBondContact O-CG 3.34Å; E398-R402 PolarHBondContact O-N 3.45Å; E398-R402 IonicContact OE1-CZ 2.93Å; E398-R402 IonicContact OE1-NE 2.67Å; E398-R402 IonicContact OE1-NH2 2.88Å; E398-R402 PolarHBondContact OE1-NH2 3.37Å; E398-R402 IonicContact OE2-CZ 2.86Å; E398-R402 IonicContact OE2-NE 3.14Å; E398-R402 PolarHBondContact OE2-NE 3.11Å; E398-R402 IonicContact OE2-NH2 3.66Å; E398-R402 PolarHBondContact OE2-NH2 2.86Å
399	K	97.8	Very high	97.3	Very high	11 Å²	11	59.6 Å²	59.6	5%	0.048	28%	0.277	C	S	.	.	H	α-helix	trans	-61.1	-49.5	172	178.8	-171.4	176.2	-68.8	0	111	P77 D81 D129 G396 L397 M401 R402 D403	P77-K399 HydrophobicContact CB-CD 4.22Å; P77-K399 WeakPolarHBondContact O-CD 3.35Å; P77-K399 WeakPolarHBondContact O-CE 3.3Å; D81-K399 HydrophobicContact CB-CD 3.77Å; D81-K399 HydrophobicContact CB-CG 4.23Å; D129-K399 IonicContact OD1-NZ 3.81Å; D129-K399 PolarHBondContact OD1-NZ 3.08Å; G396-K399 PolarHBondContact O-N 2.95Å; L397-K399 VanDerWaalsContact C-N 3.32Å; L397-K399 PolarHBondContact O-N 2.75Å; K399-M401 VanDerWaalsContact C-N 3.26Å; K399-M401 PolarHBondContact O-N 3.3Å; K399-R402 PolarHBondContact O-N 3.07Å; K399-R402 VanDerWaalsContact O-N 3.12Å; K399-D403 IonicContact NZ-OD2 3.92Å; K399-D403 PolarHBondContact NZ-OD2 3.48Å; K399-D403 WeakPolarHBondContact O-CB 3.31Å; K399-D403 PolarHBondContact O-N 3Å
400	V	98.5	Very high	97.1	Very high	18 Å²	18	58 Å²	58	11%	0.109	27%	0.266	C	S	.	.	H	α-helix	trans	-58.3	-41.9	179.3	177.4	0	0	0	0	110.8	T300 F303 G396 L397 D403 L404	T300-V400 HydrophobicContact CG2-CG1 3.43Å; T300-V400 VanDerWaalsContact CG2-CG1 3.43Å; F303-V400 HydrophobicContact CD1-CG2 4.44Å; F303-V400 HydrophobicContact CE1-CG2 3.93Å; G396-V400 PolarHBondContact O-N 3.26Å; L397-V400 PolarHBondContact O-N 3.25Å; V400-D403 PolarHBondContact O-N 3.1Å; V400-L404 HydrophobicContact CG1-CD1 3.87Å; V400-L404 HydrophobicContact CG1-CG 4.26Å; V400-L404 WeakPolarHBondContact O-CB 2.96Å; V400-L404 WeakPolarHBondContact O-CG 3.38Å; V400-L404 PolarHBondContact O-N 2.86Å
401	M	98.3	Very high	96.8	Very high	44 Å²	44	59.2 Å²	59.2	22%	0.217	27%	0.272	C	S	.	.	H	α-helix	trans	-63.4	-44.7	176	-172.2	175.1	-123.9	0	0	111.8	W376 D380 I383 L397 E398 K399 D403 L404 R405	W376-M401 HydrophobicContact CH2-CE 4.4Å; W376-M401 HydrophobicContact CH2-CG 3.98Å; W376-M401 HydrophobicContact CZ2-CE 4.25Å; W376-M401 HydrophobicContact CZ3-CG 3.99Å; W376-M401 WeakPolarHBondContact CZ3-O 3.38Å; D380-M401 HydrophobicContact CB-CE 3.86Å; D380-M401 WeakPolarHBondContact OD1-CE 3.3Å; I383-M401 HydrophobicContact CD1-CB 4.19Å; I383-M401 HydrophobicContact CD1-CE 4.1Å; I383-M401 HydrophobicContact CD1-SD 3.71Å; L397-M401 WeakPolarHBondContact O-CB 3.49Å; L397-M401 PolarHBondContact O-N 3.36Å; E398-M401 PolarHBondContact O-N 2.94Å; K399-M401 VanDerWaalsContact C-N 3.26Å; K399-M401 PolarHBondContact O-N 3.3Å; M401-D403 VanDerWaalsContact C-N 3.34Å; M401-D403 PolarHBondContact O-N 3.23Å; M401-L404 PolarHBondContact O-N 3.5Å; M401-R405 PolarHBondContact O-N 2.96Å
402	R	98.3	Very high	96.5	Very high	40 Å²	40	51.4 Å²	51.4	15%	0.151	25%	0.248	C	C	.	.	H	α-helix	trans	-60.2	-43.7	176	-72.9	-178.3	-63.5	101.4	-8.3	111.8	D81 M249 E398 K399 R405	D81-R402 VanDerWaalsContact CG-NH2 3.29Å; D81-R402 IonicContact OD1-CZ 3.94Å; D81-R402 IonicContact OD1-NH1 2.86Å; D81-R402 PolarHBondContact OD1-NH1 3Å; D81-R402 IonicContact OD1-NH2 2.68Å; D81-R402 PolarHBondContact OD1-NH2 3.4Å; D81-R402 IonicContact OD2-CZ 3.29Å; D81-R402 IonicContact OD2-NH1 3.95Å; D81-R402 PolarHBondContact OD2-NH1 2.94Å; D81-R402 IonicContact OD2-NH2 3.14Å; D81-R402 PolarHBondContact OD2-NH2 3.46Å; M249-R402 HydrophobicContact CE-CB 4.23Å; M249-R402 HydrophobicContact CE-CG 4.22Å; M249-R402 WeakPolarHBondContact O-CB 3.12Å; M249-R402 VanDerWaalsContact O-CD 3.25Å; M249-R402 WeakPolarHBondContact O-CD 3.06Å; M249-R402 PolarHBondContact O-NH1 3.22Å; E398-R402 WeakPolarHBondContact O-CG 3.34Å; E398-R402 PolarHBondContact O-N 3.45Å; E398-R402 IonicContact OE1-CZ 2.93Å; E398-R402 IonicContact OE1-NE 2.67Å; E398-R402 IonicContact OE1-NH2 2.88Å; E398-R402 PolarHBondContact OE1-NH2 3.37Å; E398-R402 IonicContact OE2-CZ 2.86Å; E398-R402 IonicContact OE2-NE 3.14Å; E398-R402 PolarHBondContact OE2-NE 3.11Å; E398-R402 IonicContact OE2-NH2 3.66Å; E398-R402 PolarHBondContact OE2-NH2 2.86Å; K399-R402 PolarHBondContact O-N 3.07Å; K399-R402 VanDerWaalsContact O-N 3.12Å; R402-R405 PolarHBondContact O-N 2.96Å
403	D	98.3	Very high	96.5	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-66	-42.8	178.7	-64.6	-3.7	0	0	0	111.7	L130 G250 I251 K399 V400 M401 R405 I406	L130-D403 HydrophobicContact CB-CB 3.75Å; L130-D403 HydrophobicContact CD1-CB 3.63Å; L130-D403 HydrophobicContact CG-CB 4.34Å; G250-D403 WeakPolarHBondContact CA-OD1 3.32Å; I251-D403 HydrophobicContact CG2-CB 3.88Å; I251-D403 PolarHBondContact N-OD1 2.81Å; K399-D403 IonicContact NZ-OD2 3.92Å; K399-D403 PolarHBondContact NZ-OD2 3.48Å; K399-D403 WeakPolarHBondContact O-CB 3.31Å; K399-D403 PolarHBondContact O-N 3Å; V400-D403 PolarHBondContact O-N 3.1Å; M401-D403 VanDerWaalsContact C-N 3.34Å; M401-D403 PolarHBondContact O-N 3.23Å; D403-R405 PolarHBondContact O-N 3.08Å; D403-I406 VanDerWaalsContact O-CG2 3.26Å; D403-I406 WeakPolarHBondContact O-CG2 3.23Å
404	L	98.4	Very high	96.6	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-63.4	-27	-179.3	-79.1	172.9	0	0	0	113.4	L130 M297 T300 A375 W376 C379 V400 M401 I406 V407	L130-L404 HydrophobicContact CD1-CD2 3.91Å; L130-L404 HydrophobicContact CD1-CG 3.94Å; M297-L404 HydrophobicContact CE-CD2 3.83Å; M297-L404 HydrophobicContact SD-CD2 3.3Å; M297-L404 WeakPolarHBondContact SD-CD2 3.2Å; T300-L404 HydrophobicContact CG2-CD1 4.15Å; T300-L404 HydrophobicContact CG2-CD2 4.15Å; T300-L404 HydrophobicContact CG2-CG 4.33Å; A375-L404 HydrophobicContact CB-CD1 4.39Å; A375-L404 HydrophobicContact CB-CD2 3.64Å; A375-L404 WeakPolarHBondContact O-CD1 3.31Å; W376-L404 HydrophobicContact CE3-CB 4.21Å; C379-L404 HydrophobicContact CB-CD1 3.44Å; C379-L404 VanDerWaalsContact CB-CD1 3.44Å; V400-L404 HydrophobicContact CG1-CD1 3.87Å; V400-L404 HydrophobicContact CG1-CG 4.26Å; V400-L404 WeakPolarHBondContact O-CB 2.96Å; V400-L404 WeakPolarHBondContact O-CG 3.38Å; V400-L404 PolarHBondContact O-N 2.86Å; M401-L404 PolarHBondContact O-N 3.5Å; L404-I406 PolarHBondContact O-N 3.39Å; L404-V407 HydrophobicContact CD2-CG2 4.49Å; L404-V407 PolarHBondContact O-N 3.48Å; L404-V407 VanDerWaalsContact O-N 3.17Å
405	R	97.9	Very high	96.7	Very high	92 Å²	92	35.2 Å²	35.2	35%	0.347	18%	0.175	S	C	.	.	H	α-helix	trans	-57.7	-38.8	-176.2	-179	58.7	-167.9	92.4	-3.6	112.4	M249 W376 M401 R402 D403 V407	M249-R405 HydrophobicContact CE-CB 3.52Å; M249-R405 HydrophobicContact CE-CG 3.75Å; M249-R405 HydrophobicContact SD-CB 3.94Å; M249-R405 HydrophobicContact SD-CG 3.76Å; W376-R405 HydrophobicContact CZ3-CB 3.83Å; W376-R405 HydrophobicContact CZ3-CG 4.46Å; M401-R405 PolarHBondContact O-N 2.96Å; R402-R405 PolarHBondContact O-N 2.96Å; D403-R405 PolarHBondContact O-N 3.08Å; R405-V407 VanDerWaalsContact C-N 3.32Å; R405-V407 PolarHBondContact O-N 3.23Å
406	I	96.8	Very high	96.8	Very high	56 Å²	56	37.5 Å²	37.5	29%	0.287	19%	0.185	S	C	.	.	H	α-helix	trans	-73.7	-25.1	-175	-158	55.1	0	0	0	111.7	I251 D403 L404 R408 I409 Y410	I251-I406 HydrophobicContact CD1-CG1 4.45Å; I251-I406 HydrophobicContact CD1-CG2 3.79Å; I251-I406 HydrophobicContact CG1-CG2 4.22Å; I251-I406 HydrophobicContact CG2-CG2 4.32Å; D403-I406 VanDerWaalsContact O-CG2 3.26Å; D403-I406 WeakPolarHBondContact O-CG2 3.23Å; L404-I406 PolarHBondContact O-N 3.39Å; I406-R408 PolarHBondContact O-N 2.9Å; I406-R408 VanDerWaalsContact O-N 3.1Å; I406-I409 HydrophobicContact CD1-CB 4.14Å; I406-I409 HydrophobicContact CD1-CD1 3.92Å; I406-I409 HydrophobicContact CD1-CG2 4.4Å; I406-I409 WeakPolarHBondContact O-CA 3.46Å; I406-I409 VanDerWaalsContact O-CB 3.31Å; I406-I409 WeakPolarHBondContact O-CB 3.46Å; I406-I409 PolarHBondContact O-N 2.86Å; I406-Y410 VanDerWaalsContact C-CD1 3.44Å; I406-Y410 HydrophobicContact CB-CD1 4.19Å; I406-Y410 HydrophobicContact CB-CE1 4.46Å; I406-Y410 HydrophobicContact CG1-CD1 3.92Å; I406-Y410 HydrophobicContact CG2-CD1 3.81Å; I406-Y410 HydrophobicContact CG2-CE1 3.65Å; I406-Y410 WeakPolarHBondContact O-CD1 3.49Å; I406-Y410 PolarHBondContact O-N 3.38Å
407	V	97.7	Very high	96.8	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.012	17%	0.173	C	C	.	.	H	α-helix	trans	-62	-25	-176.7	-167	0	0	0	0	113	I293 M297 K368 L404 R405 I409 Y410	I293-V407 HydrophobicContact CG2-CG1 3.49Å; I293-V407 VanDerWaalsContact CG2-CG1 3.49Å; M297-V407 HydrophobicContact CE-CG1 4.22Å; M297-V407 HydrophobicContact CE-CG2 3.88Å; M297-V407 HydrophobicContact CG-CG1 4.25Å; M297-V407 HydrophobicContact SD-CB 4.27Å; M297-V407 HydrophobicContact SD-CG1 3.84Å; M297-V407 HydrophobicContact SD-CG2 4.04Å; K368-V407 WeakPolarHBondContact CE-O 3.37Å; K368-V407 PolarHBondContact NZ-O 3.17Å; L404-V407 HydrophobicContact CD2-CG2 4.49Å; L404-V407 PolarHBondContact O-N 3.48Å; L404-V407 VanDerWaalsContact O-N 3.17Å; R405-V407 VanDerWaalsContact C-N 3.32Å; R405-V407 PolarHBondContact O-N 3.23Å; V407-I409 PolarHBondContact O-N 3.37Å; V407-Y410 HydrophobicContact CB-CE1 4.03Å; V407-Y410 HydrophobicContact CG1-CE1 4.34Å; V407-Y410 HydrophobicContact CG2-CE1 3.88Å
408	R	98.2	Very high	96.8	Very high	71 Å²	71	37.2 Å²	37.2	27%	0.268	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-7.7	173.5	-64.1	179.8	60.1	-169.4	-4.1	113.7	I406 T413 N414	I406-R408 PolarHBondContact O-N 2.9Å; I406-R408 VanDerWaalsContact O-N 3.1Å; R408-T413 WeakPolarHBondContact O-CA 3.24Å; R408-N414 PolarHBondContact O-N 3.25Å; R408-N414 PolarHBondContact O-OD1 3.21Å
409	I	96.1	Very high	96.8	Very high	73 Å²	73	36.3 Å²	36.3	37%	0.374	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.3	-56.4	-172.1	-55.8	173.8	0	0	0	111	I406 V407 G412 T413	I406-I409 HydrophobicContact CD1-CB 4.14Å; I406-I409 HydrophobicContact CD1-CD1 3.92Å; I406-I409 HydrophobicContact CD1-CG2 4.4Å; I406-I409 WeakPolarHBondContact O-CA 3.46Å; I406-I409 VanDerWaalsContact O-CB 3.31Å; I406-I409 WeakPolarHBondContact O-CB 3.46Å; I406-I409 PolarHBondContact O-N 2.86Å; V407-I409 PolarHBondContact O-N 3.37Å; I409-G412 CarbonylContact O-C 3.55Å; I409-G412 VanDerWaalsContact O-C 3.3Å; I409-T413 HydrophobicContact CG2-CG2 4.44Å; I409-T413 WeakPolarHBondContact O-CA 3.49Å; I409-T413 PolarHBondContact O-N 3.47Å
410	Y	93.1	Very high	96.7	Very high	63 Å²	63	38.4 Å²	38.4	25%	0.247	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	161.2	-174.3	74.5	-92	0	0	0	112.6	I293 K368 I406 V407 G412	I293-Y410 HydrophobicContact CD1-CE2 4.08Å; K368-Y410 VanDerWaalsContact CE-O 3.3Å; K368-Y410 WeakPolarHBondContact CE-O 3.44Å; K368-Y410 PolarHBondContact NZ-O 2.92Å; I406-Y410 VanDerWaalsContact C-CD1 3.44Å; I406-Y410 HydrophobicContact CB-CD1 4.19Å; I406-Y410 HydrophobicContact CB-CE1 4.46Å; I406-Y410 HydrophobicContact CG1-CD1 3.92Å; I406-Y410 HydrophobicContact CG2-CD1 3.81Å; I406-Y410 HydrophobicContact CG2-CE1 3.65Å; I406-Y410 WeakPolarHBondContact O-CD1 3.49Å; I406-Y410 PolarHBondContact O-N 3.38Å; V407-Y410 HydrophobicContact CB-CE1 4.03Å; V407-Y410 HydrophobicContact CG1-CE1 4.34Å; V407-Y410 HydrophobicContact CG2-CE1 3.88Å; Y410-G412 PolarHBondContact O-N 3.29Å
411	E	91.2	Very high	96.6	Very high	26 Å²	26	37.5 Å²	37.5	12%	0.121	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	33.8	-173.2	-74.9	-170.4	-124.1	0	0	113.9	L286 R290 I293	L286-E411 HydrophobicContact CD2-CB 4.21Å; L286-E411 HydrophobicContact CD2-CG 3.7Å; R290-E411 PolarHBondContact NE-O 3.27Å; R290-E411 PolarHBondContact NH2-O 3.12Å; I293-E411 HydrophobicContact CD1-CB 3.99Å; I293-E411 HydrophobicContact CD1-CG 4.43Å
412	G	92.2	Very high	96.5	Very high	22 Å²	22	35.4 Å²	35.4	23%	0.227	17%	0.166	C	C	.	.	S	Bend	trans	98	122.2	-175.6	0	0	0	0	0	110.6	K368 I409 Y410 L417	K368-G412 PolarHBondContact NZ-O 3.35Å; I409-G412 CarbonylContact O-C 3.55Å; I409-G412 VanDerWaalsContact O-C 3.3Å; Y410-G412 PolarHBondContact O-N 3.29Å; G412-L417 WeakPolarHBondContact O-CD1 3.2Å
413	T	96.6	Very high	96.3	Very high	28 Å²	28	36.2 Å²	36.2	17%	0.172	17%	0.173	C	C	.	.			trans	-59.7	150.5	175.2	66.6	0	0	0	0	109.5	R408 I409 E415 I416 L417	R408-T413 WeakPolarHBondContact O-CA 3.24Å; I409-T413 HydrophobicContact CG2-CG2 4.44Å; I409-T413 WeakPolarHBondContact O-CA 3.49Å; I409-T413 PolarHBondContact O-N 3.47Å; T413-E415 PolarHBondContact O-N 2.85Å; T413-I416 PolarHBondContact O-N 3.44Å; T413-I416 WeakPolarHBondContact OG1-CB 3.08Å; T413-I416 WeakPolarHBondContact OG1-CG1 3.34Å; T413-I416 PolarHBondContact OG1-N 3.3Å; T413-L417 WeakPolarHBondContact O-CG 2.87Å; T413-L417 PolarHBondContact O-N 2.86Å
414	N	98.3	Very high	96.1	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-59	-32.4	-179.8	-74.2	8.3	0	0	0	111.6	K368 I369 S372 E373 R408 L417 R418	K368-N414 PolarHBondContact NZ-OD1 3.33Å; I369-N414 HydrophobicContact CG1-CB 4.25Å; I369-N414 HydrophobicContact CG2-CB 4.48Å; S372-N414 PolarHBondContact OG-ND2 3.06Å; S372-N414 PolarHBondContact OG-OD1 2.86Å; E373-N414 VanDerWaalsContact CG-ND2 3.34Å; E373-N414 WeakPolarHBondContact CG-ND2 3.39Å; E373-N414 PolarHBondContact OE1-ND2 2.92Å; R408-N414 PolarHBondContact O-N 3.25Å; R408-N414 PolarHBondContact O-OD1 3.21Å; N414-L417 PolarHBondContact O-N 2.76Å; N414-R418 VanDerWaalsContact O-CG 3.31Å; N414-R418 WeakPolarHBondContact O-CG 3.25Å; N414-R418 PolarHBondContact O-N 3.2Å
415	E	97	Very high	95.8	Very high	99 Å²	99	39 Å²	39	46%	0.463	19%	0.185	S	C	.	.	H	α-helix	trans	-65.6	-47.8	177.4	-65.8	63.6	-132.5	0	0	111.3	T413 L417 R418 L419	T413-E415 PolarHBondContact O-N 2.85Å; E415-L417 VanDerWaalsContact C-N 3.3Å; E415-L417 PolarHBondContact O-N 3.32Å; E415-R418 WeakPolarHBondContact O-CB 3.32Å; E415-R418 PolarHBondContact O-N 2.86Å; E415-R418 IonicContact OE1-NH1 3.34Å; E415-L419 PolarHBondContact O-N 3.47Å; E415-L419 VanDerWaalsContact O-N 3.15Å
416	I	96	Very high	95.5	Very high	69 Å²	69	35 Å²	35	35%	0.354	17%	0.171	S	C	.	.	H	α-helix	trans	-66.1	-36.4	177.4	-66.2	-72.2	0	0	0	110.9	T413 R418 L419 F420	T413-I416 PolarHBondContact O-N 3.44Å; T413-I416 WeakPolarHBondContact OG1-CB 3.08Å; T413-I416 WeakPolarHBondContact OG1-CG1 3.34Å; T413-I416 PolarHBondContact OG1-N 3.3Å; I416-R418 VanDerWaalsContact C-N 3.35Å; I416-L419 PolarHBondContact O-N 3.32Å; I416-F420 WeakPolarHBondContact O-CB 3.14Å; I416-F420 PolarHBondContact O-N 3.49Å
417	L	97.5	Very high	94.9	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.016	18%	0.181	C	C	.	.	H	α-helix	trans	-69.7	-30.7	176.1	-68.7	177.7	0	0	0	113.2	R290 A365 K368 I369 G412 T413 N414 E415 F420 I421	R290-L417 VanDerWaalsContact CZ-CD2 3.42Å; A365-L417 HydrophobicContact CB-CD2 4.24Å; K368-L417 HydrophobicContact CB-CD1 4.38Å; K368-L417 HydrophobicContact CD-CD1 3.6Å; K368-L417 HydrophobicContact CG-CD1 4.14Å; I369-L417 HydrophobicContact CD1-CB 3.61Å; I369-L417 HydrophobicContact CG1-CB 3.9Å; I369-L417 HydrophobicContact CG1-CD1 4.34Å; G412-L417 WeakPolarHBondContact O-CD1 3.2Å; T413-L417 WeakPolarHBondContact O-CG 2.87Å; T413-L417 PolarHBondContact O-N 2.86Å; N414-L417 PolarHBondContact O-N 2.76Å; E415-L417 VanDerWaalsContact C-N 3.3Å; E415-L417 PolarHBondContact O-N 3.32Å; L417-F420 PolarHBondContact O-N 3.06Å; L417-I421 WeakPolarHBondContact O-CD1 3.46Å; L417-I421 VanDerWaalsContact O-CG1 3.27Å; L417-I421 WeakPolarHBondContact O-CG1 3.38Å; L417-I421 PolarHBondContact O-N 2.96Å
418	R	97.8	Very high	94	Very high	17 Å²	17	38 Å²	38	6%	0.064	19%	0.186	C	C	.	.	H	α-helix	trans	-64	-45.8	170.6	-77	177.3	173.1	92.4	7.5	110.9	I369 E373 N414 E415 I416 F420 I421 A422 A497 D498	I369-R418 HydrophobicContact CD1-CG 3.89Å; E373-R418 VanDerWaalsContact CD-NH2 3.26Å; E373-R418 IonicContact OE1-CZ 3.16Å; E373-R418 VanDerWaalsContact OE1-CZ 3.29Å; E373-R418 IonicContact OE1-NH1 3.08Å; E373-R418 PolarHBondContact OE1-NH1 2.79Å; E373-R418 IonicContact OE1-NH2 3.38Å; E373-R418 PolarHBondContact OE1-NH2 3.1Å; E373-R418 IonicContact OE2-NH2 2.64Å; E373-R418 PolarHBondContact OE2-NH2 3.49Å; N414-R418 VanDerWaalsContact O-CG 3.31Å; N414-R418 WeakPolarHBondContact O-CG 3.25Å; N414-R418 PolarHBondContact O-N 3.2Å; E415-R418 WeakPolarHBondContact O-CB 3.32Å; E415-R418 PolarHBondContact O-N 2.86Å; E415-R418 IonicContact OE1-NH1 3.34Å; I416-R418 VanDerWaalsContact C-N 3.35Å; R418-F420 VanDerWaalsContact C-N 3.33Å; R418-F420 PolarHBondContact O-N 3.44Å; R418-I421 PolarHBondContact O-N 3.08Å; R418-A422 PolarHBondContact O-N 2.87Å; R418-A497 HydrophobicContact CB-CB 3.75Å; R418-A497 HydrophobicContact CG-CB 4Å; R418-A497 WeakPolarHBondContact O-CB 3.19Å; R418-D498 IonicContact CZ-OD1 2.8Å; R418-D498 IonicContact NE-OD1 3.35Å; R418-D498 PolarHBondContact NE-OD1 2.9Å; R418-D498 IonicContact NE-OD2 3Å; R418-D498 IonicContact NH2-OD1 2.81Å; R418-D498 PolarHBondContact NH2-OD1 3.24Å
419	L	96.4	Very high	92.9	Very high	27 Å²	27	35.8 Å²	35.8	14%	0.141	18%	0.179	C	C	.	.	H	α-helix	trans	-60.5	-44.5	174.3	-61.3	-178.6	0	0	0	111.2	E415 I416 I421 A422 L423 Q490 L493	E415-L419 PolarHBondContact O-N 3.47Å; E415-L419 VanDerWaalsContact O-N 3.15Å; I416-L419 PolarHBondContact O-N 3.32Å; L419-I421 PolarHBondContact O-N 3.29Å; L419-A422 PolarHBondContact O-N 3.31Å; L419-L423 VanDerWaalsContact O-CB 3.27Å; L419-L423 WeakPolarHBondContact O-CB 3.29Å; L419-L423 VanDerWaalsContact O-CG 3.24Å; L419-L423 WeakPolarHBondContact O-CG 3.37Å; L419-L423 PolarHBondContact O-N 3.32Å; L419-Q490 HydrophobicContact CD1-CG 4.38Å; L419-Q490 HydrophobicContact CD2-CB 4.24Å; L419-Q490 HydrophobicContact CD2-CG 3.99Å; L419-L493 HydrophobicContact CD2-CB 3.96Å; L419-L493 HydrophobicContact CD2-CD1 4.01Å
420	F	95.5	Very high	91.4	Very high	54 Å²	54	39.2 Å²	39.2	24%	0.237	19%	0.191	C	C	.	.	H	α-helix	trans	-56	-50.1	174.3	170.5	-100.8	0	0	0	111.9	Q361 L362 A365 I416 L417 R418 A422 F424	Q361-F420 HydrophobicContact CB-CE1 4.32Å; Q361-F420 HydrophobicContact CB-CZ 3.88Å; L362-F420 HydrophobicContact CD2-CE1 4.26Å; A365-F420 HydrophobicContact CB-CD1 3.71Å; A365-F420 HydrophobicContact CB-CE1 3.85Å; I416-F420 WeakPolarHBondContact O-CB 3.14Å; I416-F420 PolarHBondContact O-N 3.49Å; L417-F420 PolarHBondContact O-N 3.06Å; R418-F420 VanDerWaalsContact C-N 3.33Å; R418-F420 PolarHBondContact O-N 3.44Å; F420-A422 PolarHBondContact O-N 2.95Å; F420-F424 HydrophobicContact CD2-CB 4.2Å; F420-F424 HydrophobicContact CE2-CB 3.93Å; F420-F424 HydrophobicContact CE2-CD1 4.41Å; F420-F424 HydrophobicContact CE2-CD2 4.1Å; F420-F424 AromaticContact CE2-CG 3.9Å; F420-F424 HydrophobicContact CE2-CG 3.9Å; F420-F424 HydrophobicContact CZ-CB 4.21Å; F420-F424 HydrophobicContact CZ-CD1 4.07Å; F420-F424 HydrophobicContact CZ-CG 4.02Å; F420-F424 WeakPolarHBondContact O-CB 3.07Å; F420-F424 PolarHBondContact O-N 3.04Å
421	I	97.3	Very high	89.1	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-58	-48.9	179.5	-73.4	160.8	0	0	0	111.1	F45 L362 A365 M366 I369 L417 R418 L419 G425 A497 A500 I501	F45-I421 HydrophobicContact CZ-CG2 4.16Å; F45-I421 VanDerWaalsContact CZ-O 3.26Å; F45-I421 WeakPolarHBondContact CZ-O 3.38Å; L362-I421 HydrophobicContact CD2-CB 4.41Å; L362-I421 HydrophobicContact CD2-CG1 4.4Å; A365-I421 HydrophobicContact CB-CD1 4.02Å; A365-I421 HydrophobicContact CB-CG1 3.8Å; M366-I421 HydrophobicContact CB-CD1 4.32Å; M366-I421 HydrophobicContact CE-CG2 3.64Å; M366-I421 HydrophobicContact CG-CD1 3.63Å; M366-I421 HydrophobicContact CG-CG1 4.07Å; M366-I421 HydrophobicContact CG-CG2 4.41Å; I369-I421 HydrophobicContact CD1-CD1 3.49Å; I369-I421 VanDerWaalsContact CD1-CD1 3.49Å; L417-I421 WeakPolarHBondContact O-CD1 3.46Å; L417-I421 VanDerWaalsContact O-CG1 3.27Å; L417-I421 WeakPolarHBondContact O-CG1 3.38Å; L417-I421 PolarHBondContact O-N 2.96Å; R418-I421 PolarHBondContact O-N 3.08Å; L419-I421 PolarHBondContact O-N 3.29Å; I421-G425 PolarHBondContact O-N 2.75Å; I421-A497 HydrophobicContact CB-CB 4.11Å; I421-A497 HydrophobicContact CG2-CB 4.02Å; I421-A500 HydrophobicContact CG2-CB 4.03Å; I421-I501 HydrophobicContact CD1-CD1 4.04Å; I421-I501 HydrophobicContact CD1-CG1 4.04Å
422	A	95.9	Very high	86.5	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-66.4	-50.2	-177.3	0	0	0	0	0	111.5	R418 L419 F420 I426 L493 L496 A497	R418-A422 PolarHBondContact O-N 2.87Å; L419-A422 PolarHBondContact O-N 3.31Å; F420-A422 PolarHBondContact O-N 2.95Å; A422-I426 WeakPolarHBondContact O-CB 3.48Å; A422-I426 WeakPolarHBondContact O-CD1 3.48Å; A422-I426 WeakPolarHBondContact O-CG1 3.22Å; A422-I426 PolarHBondContact O-N 2.75Å; A422-L493 HydrophobicContact CB-CB 3.95Å; A422-L493 HydrophobicContact CB-CD2 3.72Å; A422-L493 HydrophobicContact CB-CG 4.41Å; A422-L496 HydrophobicContact CB-CD2 4.33Å; A422-A497 HydrophobicContact CB-CB 4.36Å
423	L	94.5	Very high	83.9	Confident	56 Å²	56	46.5 Å²	46.5	29%	0.293	24%	0.236	S	C	.	.	H	α-helix	trans	-69.6	-45.1	-175.8	-66.4	176.8	0	0	0	112.4	L419 I426 E427 I487 L493	L419-L423 VanDerWaalsContact O-CB 3.27Å; L419-L423 WeakPolarHBondContact O-CB 3.29Å; L419-L423 VanDerWaalsContact O-CG 3.24Å; L419-L423 WeakPolarHBondContact O-CG 3.37Å; L419-L423 PolarHBondContact O-N 3.32Å; L423-I426 PolarHBondContact O-N 2.81Å; L423-E427 WeakPolarHBondContact O-CB 3.49Å; L423-E427 PolarHBondContact O-N 2.93Å; L423-I487 HydrophobicContact CD2-CB 4.3Å; L423-I487 HydrophobicContact CD2-CG2 3.95Å; L423-L493 HydrophobicContact CD2-CD1 3.82Å; L423-L493 HydrophobicContact CD2-CD2 4.11Å; L423-L493 HydrophobicContact CG-CD1 4.22Å
424	F	92.9	Very high	81.2	Confident	61 Å²	61	48 Å²	48	27%	0.268	25%	0.251	S	S	.	.	H	α-helix	trans	-69.8	-36.5	179.2	-167.8	-103	0	0	0	111.4	M42 Q361 L362 F420 E427 A428	M42-F424 HydrophobicContact CE-CE1 3.58Å; M42-F424 HydrophobicContact CE-CZ 4.12Å; Q361-F424 HydrophobicContact CB-CE1 4.49Å; L362-F424 HydrophobicContact CD1-CD1 4.21Å; L362-F424 HydrophobicContact CD2-CB 4.12Å; L362-F424 HydrophobicContact CD2-CD1 3.75Å; L362-F424 HydrophobicContact CD2-CG 4.43Å; L362-F424 HydrophobicContact CG-CD1 3.75Å; L362-F424 HydrophobicContact CG-CE1 4.33Å; F420-F424 HydrophobicContact CD2-CB 4.2Å; F420-F424 HydrophobicContact CE2-CB 3.93Å; F420-F424 HydrophobicContact CE2-CD1 4.41Å; F420-F424 HydrophobicContact CE2-CD2 4.1Å; F420-F424 AromaticContact CE2-CG 3.9Å; F420-F424 HydrophobicContact CE2-CG 3.9Å; F420-F424 HydrophobicContact CZ-CB 4.21Å; F420-F424 HydrophobicContact CZ-CD1 4.07Å; F420-F424 HydrophobicContact CZ-CG 4.02Å; F420-F424 WeakPolarHBondContact O-CB 3.07Å; F420-F424 PolarHBondContact O-N 3.04Å; F424-E427 PolarHBondContact O-N 3.39Å; F424-A428 PolarHBondContact O-N 2.85Å
425	G	93.2	Very high	78.5	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-64.2	-39.8	172.1	0	0	0	0	0	113.1	F45 I421 A428	F45-G425 WeakPolarHBondContact CB-O 3.42Å; F45-G425 VanDerWaalsContact CD1-C 3.42Å; F45-G425 WeakPolarHBondContact CG-O 3.12Å; I421-G425 PolarHBondContact O-N 2.75Å; G425-A428 WeakPolarHBondContact O-CB 3.36Å; G425-A428 PolarHBondContact O-N 3.31Å
426	I	91.2	Very high	75.8	Confident	8 Å²	8	52 Å²	52	4%	0.041	27%	0.267	C	S	.	.	H	α-helix	trans	-65.7	-41.6	172	-75.4	163.2	0	0	0	111.1	F45 A422 L423 A428 L429 V475 L479 I486 L493 L496	F45-I426 HydrophobicContact CD1-CG1 4.37Å; F45-I426 HydrophobicContact CE1-CG1 4.49Å; A422-I426 WeakPolarHBondContact O-CB 3.48Å; A422-I426 WeakPolarHBondContact O-CD1 3.48Å; A422-I426 WeakPolarHBondContact O-CG1 3.22Å; A422-I426 PolarHBondContact O-N 2.75Å; L423-I426 PolarHBondContact O-N 2.81Å; I426-A428 VanDerWaalsContact C-N 3.26Å; I426-A428 PolarHBondContact O-N 3.13Å; I426-L429 WeakPolarHBondContact O-CB 3.49Å; I426-L429 WeakPolarHBondContact O-CG 3.4Å; I426-L429 PolarHBondContact O-N 3.41Å; I426-V475 HydrophobicContact CG1-CG1 4Å; I426-L479 HydrophobicContact CG2-CD1 4.25Å; I426-L479 HydrophobicContact CG2-CD2 3.7Å; I426-L479 HydrophobicContact CG2-CG 4.36Å; I426-I486 HydrophobicContact CD1-CD1 3.86Å; I426-L493 HydrophobicContact CD1-CD2 3.97Å; I426-L496 HydrophobicContact CD1-CD2 4.15Å
427	E	85.5	Confident	73	Confident	108 Å²	108	50.6 Å²	50.6	51%	0.505	27%	0.269	S	S	.	.	H	α-helix	trans	-62.6	-34.5	179.1	-174.3	172.2	-164.3	0	0	112	L423 F424 L429 K430	L423-E427 WeakPolarHBondContact O-CB 3.49Å; L423-E427 PolarHBondContact O-N 2.93Å; F424-E427 PolarHBondContact O-N 3.39Å; E427-L429 PolarHBondContact O-N 2.87Å; E427-K430 WeakPolarHBondContact O-CB 3.41Å; E427-K430 PolarHBondContact O-N 3.31Å
428	A	77.3	Confident	70.3	Confident	14 Å²	14	56 Å²	56	12%	0.116	30%	0.297	C	S	.	.	H	α-helix	trans	-59.4	-13.1	172.6	0	0	0	0	0	113.6	M42 R46 F424 G425 I426	M42-A428 HydrophobicContact CB-CB 4.22Å; M42-A428 HydrophobicContact CG-CB 4.24Å; R46-A428 PolarHBondContact NE-O 3.29Å; R46-A428 PolarHBondContact NH2-O 3.48Å; F424-A428 PolarHBondContact O-N 2.85Å; G425-A428 WeakPolarHBondContact O-CB 3.36Å; G425-A428 PolarHBondContact O-N 3.31Å; I426-A428 VanDerWaalsContact C-N 3.26Å; I426-A428 PolarHBondContact O-N 3.13Å
429	L	75.8	Confident	67.7	Low	23 Å²	23	57.7 Å²	57.7	12%	0.12	31%	0.307	C	S	.	.	H	α-helix	trans	-81	-29.7	170.7	-54.7	178.9	0	0	0	113.3	F45 R46 I426 E427 S431 P432 V475 L479	F45-L429 HydrophobicContact CB-CD2 4.3Å; R46-L429 HydrophobicContact CB-CD2 4.07Å; R46-L429 HydrophobicContact CG-CD2 3.2Å; I426-L429 WeakPolarHBondContact O-CB 3.49Å; I426-L429 WeakPolarHBondContact O-CG 3.4Å; I426-L429 PolarHBondContact O-N 3.41Å; E427-L429 PolarHBondContact O-N 2.87Å; L429-S431 PolarHBondContact O-N 3.27Å; L429-P432 WeakPolarHBondContact O-CD 3.39Å; L429-V475 HydrophobicContact CD1-CG1 3.48Å; L429-V475 VanDerWaalsContact CD1-CG1 3.48Å; L429-L479 HydrophobicContact CD1-CD1 3.52Å
430	K	64.9	Low	64.9	Low	146 Å²	146	64.9 Å²	64.9	64%	0.635	33%	0.332	S	S	*	.	H	α-helix	trans	-68.7	-19.5	-174.4	-68.5	-178.7	-179.3	168.6	0	113.2	E427	E427-K430 WeakPolarHBondContact O-CB 3.41Å; E427-K430 PolarHBondContact O-N 3.31Å
431	S	45.2	Very low	62.5	Low	70 Å²	70	67.4 Å²	67.4	49%	0.49	35%	0.348	S	S	.	.	S	Bend	trans	-72.1	11.4	-179.8	-57	0	0	0	0	115.2	I34 L429	I34-S431 WeakPolarHBondContact CD1-O 3.46Å; L429-S431 PolarHBondContact O-N 3.27Å
432	P	36.6	Very low	60	Low	31 Å²	31	71.4 Å²	71.4	20%	0.201	37%	0.367	C	S	.	.			trans	-147.9	127	135	16.2	7.4	0	0	0	113.2	I34 L429 A434 S435	I34-P432 HydrophobicContact CD1-CB 4.4Å; L429-P432 WeakPolarHBondContact O-CD 3.39Å; P432-A434 HydrophobicContact CB-CB 3.8Å; P432-A434 PolarHBondContact O-N 2.83Å; P432-A434 VanDerWaalsContact O-N 3.1Å; P432-S435 WeakPolarHBondContact O-CA 3.25Å; P432-S435 VanDerWaalsContact O-CB 3.23Å; P432-S435 WeakPolarHBondContact O-CB 3.49Å; P432-S435 PolarHBondContact O-N 3.5Å; P432-S435 PolarHBondContact O-OG 2.97Å
433	L	36.5	Very low	57.3	Low	162 Å²	162	74 Å²	74	85%	0.848	38%	0.383	S	S	*	.	H	α-helix	trans	-56.6	-14.7	151.4	-90.1	129.9	0	0	0	112.5	S435 Y436	L433-S435 VanDerWaalsContact C-N 3.27Å; L433-Y436 PolarHBondContact O-N 2.68Å
434	A	41.1	Very low	54.8	Low	59 Å²	59	75 Å²	75	49%	0.488	39%	0.387	S	S	.	.	H	α-helix	trans	-69.2	-21.4	166.1	0	0	0	0	0	113.6	P432 Y436 G437 L438	P432-A434 HydrophobicContact CB-CB 3.8Å; P432-A434 PolarHBondContact O-N 2.83Å; P432-A434 VanDerWaalsContact O-N 3.1Å; A434-Y436 VanDerWaalsContact C-N 3.33Å; A434-G437 PolarHBondContact O-N 2.94Å; A434-L438 WeakPolarHBondContact O-CG 3.38Å; A434-L438 PolarHBondContact O-N 2.71Å
435	S	39.9	Very low	52.7	Low	22 Å²	22	80 Å²	80	15%	0.154	41%	0.405	C	S	.	.	H	α-helix	trans	-69.1	-30.5	173.7	69.7	0	0	0	0	111.6	P432 L433 G437 L438 I439	P432-S435 WeakPolarHBondContact O-CA 3.25Å; P432-S435 VanDerWaalsContact O-CB 3.23Å; P432-S435 WeakPolarHBondContact O-CB 3.49Å; P432-S435 PolarHBondContact O-N 3.5Å; P432-S435 PolarHBondContact O-OG 2.97Å; L433-S435 VanDerWaalsContact C-N 3.27Å; S435-G437 PolarHBondContact O-N 3.44Å; S435-L438 PolarHBondContact O-N 2.84Å; S435-I439 WeakPolarHBondContact O-CA 3.21Å; S435-I439 WeakPolarHBondContact O-CB 3.33Å; S435-I439 WeakPolarHBondContact O-CD1 3.49Å; S435-I439 WeakPolarHBondContact O-CG1 3.17Å; S435-I439 PolarHBondContact O-N 2.78Å
436	Y	40	Very low	50.1	Low	163 Å²	163	84.4 Å²	84.4	64%	0.639	42%	0.421	S	S	*	.	H	α-helix	trans	-59.3	-37.6	172.3	-112.4	-90.2	0	0	0	111.8	L433 A434 R440	L433-Y436 PolarHBondContact O-N 2.68Å; A434-Y436 VanDerWaalsContact C-N 3.33Å; Y436-R440 WeakPolarHBondContact O-CB 3.25Å; Y436-R440 PolarHBondContact O-N 3.49Å; Y436-R440 VanDerWaalsContact O-N 3.07Å
437	G	37.8	Very low	47.7	Very low	38 Å²	38	87.7 Å²	87.7	39%	0.392	45%	0.449	S	S	.	.	H	α-helix	trans	-72	-51.9	174.2	0	0	0	0	0	112.9	A434 S435 I439 R440 D441	A434-G437 PolarHBondContact O-N 2.94Å; S435-G437 PolarHBondContact O-N 3.44Å; G437-I439 PolarHBondContact O-N 2.79Å; G437-R440 PolarHBondContact O-N 3.29Å; G437-D441 PolarHBondContact O-N 3.26Å
438	L	40.5	Very low	45.8	Very low	116 Å²	116	90.9 Å²	90.9	61%	0.607	46%	0.461	S	S	*	.	H	α-helix	trans	-65.9	-38	-178.9	-70.9	166.7	0	0	0	112.8	A434 S435 D441 E442	A434-L438 WeakPolarHBondContact O-CG 3.38Å; A434-L438 PolarHBondContact O-N 2.71Å; S435-L438 PolarHBondContact O-N 2.84Å; L438-D441 PolarHBondContact O-N 2.93Å; L438-E442 VanDerWaalsContact O-CB 3.3Å; L438-E442 WeakPolarHBondContact O-CB 3.33Å; L438-E442 PolarHBondContact O-N 3.44Å
439	I	44.3	Very low	43.7	Very low	54 Å²	54	99 Å²	99	28%	0.277	49%	0.489	S	S	.	.	H	α-helix	trans	-70.8	-42.7	175.5	-62.4	166.6	0	0	0	109.4	S435 G437 D441 E442 V443 E476	S435-I439 WeakPolarHBondContact O-CA 3.21Å; S435-I439 WeakPolarHBondContact O-CB 3.33Å; S435-I439 WeakPolarHBondContact O-CD1 3.49Å; S435-I439 WeakPolarHBondContact O-CG1 3.17Å; S435-I439 PolarHBondContact O-N 2.78Å; G437-I439 PolarHBondContact O-N 2.79Å; I439-D441 VanDerWaalsContact C-N 3.29Å; I439-D441 PolarHBondContact O-N 3.48Å; I439-E442 CarbonylContact O-C 3.47Å; I439-E442 PolarHBondContact O-N 2.92Å; I439-E442 VanDerWaalsContact O-N 3.14Å; I439-V443 HydrophobicContact CG2-CG2 3.96Å; I439-V443 VanDerWaalsContact O-CB 3.3Å; I439-V443 WeakPolarHBondContact O-CB 3.34Å; I439-V443 WeakPolarHBondContact O-CG2 3.05Å; I439-V443 PolarHBondContact O-N 2.97Å; I439-E476 WeakPolarHBondContact CG2-OE1 3.2Å
440	R	37.3	Very low	41.6	Very low	178 Å²	178	103 Å²	103	67%	0.672	52%	0.519	S	S	*	.	H	α-helix	trans	-60	-41.8	174.1	-171.3	-177.5	-175.8	-164.4	1.7	111.3	Y436 G437 V443 I444	Y436-R440 WeakPolarHBondContact O-CB 3.25Å; Y436-R440 PolarHBondContact O-N 3.49Å; Y436-R440 VanDerWaalsContact O-N 3.07Å; G437-R440 PolarHBondContact O-N 3.29Å; R440-V443 PolarHBondContact O-N 3.28Å; R440-I444 HydrophobicContact CG-CD1 4.02Å; R440-I444 WeakPolarHBondContact O-CB 3.14Å; R440-I444 WeakPolarHBondContact O-CG1 3.5Å; R440-I444 PolarHBondContact O-N 2.83Å
441	D	44.3	Very low	40.5	Very low	106 Å²	106	101.4 Å²	101.4	57%	0.567	52%	0.524	S	S	*	.	H	α-helix	trans	-65	-39.3	175.1	-73.4	-20.9	0	0	0	111.8	G437 L438 I439 I444 R445	G437-D441 PolarHBondContact O-N 3.26Å; L438-D441 PolarHBondContact O-N 2.93Å; I439-D441 VanDerWaalsContact C-N 3.29Å; I439-D441 PolarHBondContact O-N 3.48Å; D441-I444 PolarHBondContact O-N 2.82Å; D441-R445 WeakPolarHBondContact O-CB 3.21Å; D441-R445 PolarHBondContact O-N 3.32Å
442	E	45.5	Very low	39.8	Very low	85 Å²	85	106.4 Å²	106.4	40%	0.397	55%	0.545	S	S	.	.	H	α-helix	trans	-72.6	-33.3	177.6	-162.5	153.1	-160.7	0	0	112.6	L438 I439 R445 R446	L438-E442 VanDerWaalsContact O-CB 3.3Å; L438-E442 WeakPolarHBondContact O-CB 3.33Å; L438-E442 PolarHBondContact O-N 3.44Å; I439-E442 CarbonylContact O-C 3.47Å; I439-E442 PolarHBondContact O-N 2.92Å; I439-E442 VanDerWaalsContact O-N 3.14Å; E442-R445 CarbonylContact O-C 3.5Å; E442-R445 PolarHBondContact O-N 3.22Å; E442-R446 VanDerWaalsContact O-CB 3.27Å; E442-R446 WeakPolarHBondContact O-CB 3.41Å; E442-R446 VanDerWaalsContact O-CG 3.25Å; E442-R446 WeakPolarHBondContact O-CG 3.38Å; E442-R446 PolarHBondContact O-N 2.81Å
443	V	40	Very low	39.6	Very low	55 Å²	55	110 Å²	110	33%	0.333	57%	0.571	S	S	.	*	H	α-helix	trans	-69.3	-43.1	171.8	169.2	0	0	0	0	110.7	I439 R440 R445 R446 A447	I439-V443 HydrophobicContact CG2-CG2 3.96Å; I439-V443 VanDerWaalsContact O-CB 3.3Å; I439-V443 WeakPolarHBondContact O-CB 3.34Å; I439-V443 WeakPolarHBondContact O-CG2 3.05Å; I439-V443 PolarHBondContact O-N 2.97Å; R440-V443 PolarHBondContact O-N 3.28Å; V443-R445 VanDerWaalsContact C-N 3.26Å; V443-R445 PolarHBondContact O-N 2.8Å; V443-R446 PolarHBondContact O-N 3.35Å; V443-A447 VanDerWaalsContact O-CB 3.28Å; V443-A447 WeakPolarHBondContact O-CB 3.18Å; V443-A447 PolarHBondContact O-N 2.69Å
444	I	42	Very low	39.2	Very low	75 Å²	75	108.8 Å²	108.8	39%	0.385	57%	0.565	S	S	.	*	H	α-helix	trans	-62.2	-39.3	172	-70.3	166.2	0	0	0	109.9	R440 D441 K448	R440-I444 HydrophobicContact CG-CD1 4.02Å; R440-I444 WeakPolarHBondContact O-CB 3.14Å; R440-I444 WeakPolarHBondContact O-CG1 3.5Å; R440-I444 PolarHBondContact O-N 2.83Å; D441-I444 PolarHBondContact O-N 2.82Å; I444-K448 HydrophobicContact CG2-CD 4.47Å; I444-K448 WeakPolarHBondContact O-CB 3.4Å; I444-K448 WeakPolarHBondContact O-CG 3.49Å; I444-K448 PolarHBondContact O-N 2.74Å; I444-K448 VanDerWaalsContact O-N 3.13Å
445	R	47.4	Very low	38.6	Very low	168 Å²	168	118 Å²	118	63%	0.634	59%	0.587	S	S	*	*	H	α-helix	trans	-69.6	-32.8	176.2	-160.3	177.3	-177.4	-179.5	2.1	112.5	D441 E442 V443	D441-R445 WeakPolarHBondContact O-CB 3.21Å; D441-R445 PolarHBondContact O-N 3.32Å; E442-R445 CarbonylContact O-C 3.5Å; E442-R445 PolarHBondContact O-N 3.22Å; V443-R445 VanDerWaalsContact C-N 3.26Å; V443-R445 PolarHBondContact O-N 2.8Å
446	R	40.1	Very low	38.1	Very low	92 Å²	92	123.2 Å²	123.2	35%	0.347	61%	0.609	S	S	.	*	H	α-helix	trans	-76	-43.1	175.6	-81.3	174.8	174.4	178.1	-0.7	112.2	E442 V443 K448 R449	E442-R446 VanDerWaalsContact O-CB 3.27Å; E442-R446 WeakPolarHBondContact O-CB 3.41Å; E442-R446 VanDerWaalsContact O-CG 3.25Å; E442-R446 WeakPolarHBondContact O-CG 3.38Å; E442-R446 PolarHBondContact O-N 2.81Å; V443-R446 PolarHBondContact O-N 3.35Å; R446-K448 VanDerWaalsContact C-N 3.3Å; R446-K448 PolarHBondContact O-N 3.44Å; R446-R449 CarbonylContact O-C 3.51Å; R446-R449 WeakPolarHBondContact O-CA 3.46Å; R446-R449 PolarHBondContact O-N 2.88Å
447	A	40.3	Very low	37.6	Very low	76 Å²	76	125.8 Å²	125.8	63%	0.628	62%	0.624	S	S	*	*	H	α-helix	trans	-64.4	-33.8	176.6	0	0	0	0	0	112.2	V443 R449	V443-A447 VanDerWaalsContact O-CB 3.28Å; V443-A447 WeakPolarHBondContact O-CB 3.18Å; V443-A447 PolarHBondContact O-N 2.69Å; A447-R449 PolarHBondContact O-N 3.31Å
448	K	44.6	Very low	37.5	Very low	175 Å²	175	130.5 Å²	130.5	76%	0.761	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	-11.8	171.4	-75.5	-178.8	179.3	-177.1	0	113.8	I444 R446	I444-K448 HydrophobicContact CG2-CD 4.47Å; I444-K448 WeakPolarHBondContact O-CB 3.4Å; I444-K448 WeakPolarHBondContact O-CG 3.49Å; I444-K448 PolarHBondContact O-N 2.74Å; I444-K448 VanDerWaalsContact O-N 3.13Å; R446-K448 VanDerWaalsContact C-N 3.3Å; R446-K448 PolarHBondContact O-N 3.44Å
449	R	32.8	Very low	37.6	Very low	186 Å²	186	126.9 Å²	126.9	70%	0.702	62%	0.619	S	S	*	*			trans	-104.2	63.1	175.2	-70.1	-179.2	173.5	179.1	-1.9	110.4	R446 A447	R446-R449 CarbonylContact O-C 3.51Å; R446-R449 WeakPolarHBondContact O-CA 3.46Å; R446-R449 PolarHBondContact O-N 2.88Å; A447-R449 PolarHBondContact O-N 3.31Å
450	S	32.2	Very low	38	Very low	105 Å²	105	128.7 Å²	128.7	73%	0.734	62%	0.622	S	S	*	*			trans	-78.6	147	164.7	-161.3	0	0	0	0	110.1
451	P	41.5	Very low	38.9	Very low	114 Å²	114	120.7 Å²	120.7	74%	0.74	59%	0.594	S	S	*	*			trans	-101.9	110	-136.3	35.6	-31.6	0	0	0	114.1
452	N	31.3	Very low	40	Very low	175 Å²	175	118.7 Å²	118.7	94%	0.936	59%	0.586	S	S	*	*			trans	-117.3	89.4	158.8	-99.8	-11.5	0	0	0	108.8
453	S	31.6	Very low	41.7	Very low	107 Å²	107	116.9 Å²	116.9	75%	0.748	58%	0.577	S	S	*	*			trans	-162.4	92.7	168.7	164.3	0	0	0	0	109.7
454	N	28.3	Very low	44	Very low	136 Å²	136	114.5 Å²	114.5	73%	0.727	56%	0.562	S	S	*	*			trans	17.4	120.6	150.1	-75.4	-25.2	0	0	0	116.9	Q456	N454-Q456 HydrophobicContact CB-CG 4.49Å; N454-Q456 PolarHBondContact O-N 2.86Å
455	R	28.1	Very low	46.3	Very low	251 Å²	251	111.7 Å²	111.7	95%	0.947	55%	0.549	S	S	*	.			trans	-57.8	64	166.2	-66.4	177.7	178.8	178	-0.5	111.5	K457	R455-K457 PolarHBondContact O-N 2.96Å
456	Q	29.9	Very low	48.3	Very low	132 Å²	132	108.1 Å²	108.1	62%	0.617	54%	0.536	S	S	*	.			trans	-72.4	126.5	171.9	-83.8	-179.8	-12.1	0	0	107.7	N454 H458	N454-Q456 HydrophobicContact CB-CG 4.49Å; N454-Q456 PolarHBondContact O-N 2.86Å; Q456-H458 WeakPolarHBondContact O-CA 3.48Å; Q456-H458 PolarHBondContact O-N 3.25Å
457	K	29.6	Very low	50.7	Low	217 Å²	217	103.8 Å²	103.8	94%	0.943	52%	0.52	S	S	*	.			trans	-35	96.9	172.7	-74.1	175.1	176	174.1	0	110.4	R455 C459	R455-K457 PolarHBondContact O-N 2.96Å; K457-C459 PolarHBondContact O-N 3.09Å
458	H	35.1	Very low	53.2	Low	138 Å²	138	100.2 Å²	100.2	64%	0.639	49%	0.49	S	S	*	.			trans	-62.4	120.9	-167.2	-75.6	-76.2	0	0	0	109.9	Q456 R460	Q456-H458 WeakPolarHBondContact O-CA 3.48Å; Q456-H458 PolarHBondContact O-N 3.25Å; H458-R460 PolarHBondContact O-N 3.46Å
459	C	44	Very low	55.5	Low	39 Å²	39	95.4 Å²	95.4	26%	0.264	47%	0.47	S	S	.	.			trans	-60.8	130.5	166.3	175.3	0	0	0	0	107.7	M1 K457 A461 T462	M1-C459 PolarHBondContact N-SG 3.46Å; M1-C459 VanDerWaalsContact N-SG 3.42Å; K457-C459 PolarHBondContact O-N 3.09Å; C459-A461 PolarHBondContact O-N 3.13Å; C459-A461 VanDerWaalsContact O-N 3.09Å; C459-T462 WeakPolarHBondContact O-CA 3.38Å; C459-T462 WeakPolarHBondContact O-CB 3.3Å; C459-T462 PolarHBondContact O-N 2.87Å; C459-T462 PolarHBondContact O-OG1 2.97Å
460	R	51.5	Low	58.3	Low	92 Å²	92	89.5 Å²	89.5	35%	0.347	45%	0.451	S	S	.	.	H	α-helix	trans	-59.6	-26.4	-170.5	-63.5	178.2	180	111.2	-11.9	114.9	H458 T462 F463 L464	H458-R460 PolarHBondContact O-N 3.46Å; R460-T462 PolarHBondContact O-N 3.36Å; R460-F463 WeakPolarHBondContact O-CA 3.43Å; R460-F463 WeakPolarHBondContact O-CB 3.2Å; R460-F463 PolarHBondContact O-N 3.46Å; R460-L464 PolarHBondContact O-N 3.08Å
461	A	57	Low	61.2	Low	10 Å²	10	84.5 Å²	84.5	8%	0.083	42%	0.417	C	S	.	.	H	α-helix	trans	-63.7	-31.9	171.4	0	0	0	0	0	112.4	F4 C459 F463 L464 T465	F4-A461 HydrophobicContact CB-CB 3.78Å; F4-A461 HydrophobicContact CD1-CB 4.21Å; F4-A461 HydrophobicContact CD2-CB 3.52Å; F4-A461 HydrophobicContact CE2-CB 4.06Å; F4-A461 HydrophobicContact CG-CB 3.59Å; C459-A461 PolarHBondContact O-N 3.13Å; C459-A461 VanDerWaalsContact O-N 3.09Å; A461-F463 PolarHBondContact O-N 2.56Å; A461-L464 PolarHBondContact O-N 3.41Å; A461-T465 PolarHBondContact O-N 2.63Å; A461-T465 PolarHBondContact O-OG1 3.1Å
462	T	66.9	Low	63.7	Low	65 Å²	65	79.4 Å²	79.4	40%	0.399	38%	0.384	S	S	.	.	H	α-helix	trans	-63.8	-27.4	171	-39.2	0	0	0	0	111.5	C459 R460 Y466	C459-T462 WeakPolarHBondContact O-CA 3.38Å; C459-T462 WeakPolarHBondContact O-CB 3.3Å; C459-T462 PolarHBondContact O-N 2.87Å; C459-T462 PolarHBondContact O-OG1 2.97Å; R460-T462 PolarHBondContact O-N 3.36Å; T462-Y466 PolarHBondContact O-N 3.24Å; T462-Y466 VanDerWaalsContact O-N 3.13Å
463	F	81.9	Confident	66.5	Low	46 Å²	46	73.1 Å²	73.1	20%	0.202	36%	0.357	C	S	.	.	H	α-helix	trans	-74.7	-41.7	178.8	-162.4	-92.1	0	0	0	112.4	R460 A461 T465 Y466 L467 M506 S539 Y543	R460-F463 WeakPolarHBondContact O-CA 3.43Å; R460-F463 WeakPolarHBondContact O-CB 3.2Å; R460-F463 PolarHBondContact O-N 3.46Å; A461-F463 PolarHBondContact O-N 2.56Å; F463-T465 VanDerWaalsContact C-N 3.3Å; F463-T465 PolarHBondContact O-N 3.24Å; F463-Y466 WeakPolarHBondContact O-CB 3.45Å; F463-Y466 PolarHBondContact O-N 3.01Å; F463-L467 HydrophobicContact CD1-CD1 4.01Å; F463-L467 HydrophobicContact CD1-CD2 4.31Å; F463-L467 HydrophobicContact CD1-CG 3.86Å; F463-L467 HydrophobicContact CE1-CD1 3.7Å; F463-L467 HydrophobicContact CE1-CD2 3.52Å; F463-L467 HydrophobicContact CE1-CG 3.53Å; F463-L467 HydrophobicContact CZ-CD2 3.89Å; F463-L467 HydrophobicContact CZ-CG 4.33Å; F463-L467 WeakPolarHBondContact O-CG 3.44Å; F463-L467 PolarHBondContact O-N 3.44Å; F463-M506 HydrophobicContact CD1-CE 4.36Å; F463-S539 WeakPolarHBondContact CD1-OG 3.48Å; F463-S539 WeakPolarHBondContact CE1-OG 3.43Å; F463-S539 VanDerWaalsContact CZ-CB 3.49Å; F463-S539 WeakPolarHBondContact CZ-OG 3.47Å; F463-Y543 HydrophobicContact CE2-CE2 4.2Å; F463-Y543 WeakPolarHBondContact CE2-OH 3.18Å; F463-Y543 AromaticContact CZ-CE2 3.63Å; F463-Y543 HydrophobicContact CZ-CE2 3.63Å; F463-Y543 AromaticContact CZ-CZ 3.91Å
464	L	88.5	Confident	69.4	Low	5 Å²	5	68.2 Å²	68.2	3%	0.026	32%	0.322	C	S	.	.	H	α-helix	trans	-58.4	-44.5	173.5	177.8	64.4	0	0	0	111.1	R460 A461 Y466 L467 V468 I503 M506 A507 I510	R460-L464 PolarHBondContact O-N 3.08Å; A461-L464 PolarHBondContact O-N 3.41Å; L464-Y466 VanDerWaalsContact C-N 3.33Å; L464-Y466 PolarHBondContact O-N 3.49Å; L464-L467 PolarHBondContact O-N 3.25Å; L464-V468 HydrophobicContact CD1-CG2 4.38Å; L464-V468 WeakPolarHBondContact O-CG2 3.26Å; L464-V468 PolarHBondContact O-N 3.38Å; L464-I503 HydrophobicContact CD1-CG2 4.12Å; L464-M506 HydrophobicContact CB-SD 4.26Å; L464-M506 HydrophobicContact CD1-CB 4.44Å; L464-M506 HydrophobicContact CD1-CG 4.33Å; L464-M506 HydrophobicContact CD1-SD 4.01Å; L464-A507 HydrophobicContact CD1-CB 4.15Å; L464-A507 HydrophobicContact CD2-CB 3.75Å; L464-I510 HydrophobicContact CB-CD1 4.23Å; L464-I510 HydrophobicContact CD2-CD1 4.19Å
465	T	89.1	Confident	72.4	Confident	16 Å²	16	61.8 Å²	61.8	10%	0.098	29%	0.288	C	S	.	.	H	α-helix	trans	-57.6	-46.9	175.4	-50.9	0	0	0	0	111.5	M49 A461 F463 L467 V468 E469	M49-T465 HydrophobicContact CE-CG2 4.02Å; M49-T465 WeakPolarHBondContact CE-OG1 3.1Å; M49-T465 HydrophobicContact SD-CG2 4.5Å; M49-T465 PolarHBondContact SD-OG1 3.4Å; A461-T465 PolarHBondContact O-N 2.63Å; A461-T465 PolarHBondContact O-OG1 3.1Å; F463-T465 VanDerWaalsContact C-N 3.3Å; F463-T465 PolarHBondContact O-N 3.24Å; T465-L467 VanDerWaalsContact C-N 3.35Å; T465-L467 PolarHBondContact O-N 3.22Å; T465-V468 PolarHBondContact O-N 2.96Å; T465-E469 HydrophobicContact CG2-CG 4.45Å; T465-E469 WeakPolarHBondContact O-CG 3.32Å; T465-E469 PolarHBondContact O-N 3.18Å
466	Y	89.3	Confident	75.4	Confident	94 Å²	94	52.6 Å²	52.6	37%	0.369	26%	0.256	S	S	.	.	H	α-helix	trans	-59.2	-43.5	176.7	176.6	-92.4	0	0	0	112.4	T462 F463 L464 E469 M470 Y543	T462-Y466 PolarHBondContact O-N 3.24Å; T462-Y466 VanDerWaalsContact O-N 3.13Å; F463-Y466 WeakPolarHBondContact O-CB 3.45Å; F463-Y466 PolarHBondContact O-N 3.01Å; L464-Y466 VanDerWaalsContact C-N 3.33Å; L464-Y466 PolarHBondContact O-N 3.49Å; Y466-E469 PolarHBondContact O-N 3.24Å; Y466-M470 HydrophobicContact CD1-CG 4.06Å; Y466-M470 HydrophobicContact CD2-CG 4.36Å; Y466-M470 HydrophobicContact CE1-CG 3.55Å; Y466-M470 HydrophobicContact CE2-CG 3.94Å; Y466-M470 HydrophobicContact CE2-SD 4.22Å; Y466-M470 HydrophobicContact CG-CG 4.43Å; Y466-M470 WeakPolarHBondContact O-CB 3.19Å; Y466-M470 VanDerWaalsContact O-CG 3.27Å; Y466-M470 WeakPolarHBondContact O-CG 3.44Å; Y466-M470 PolarHBondContact O-N 3.14Å; Y466-Y543 AromaticContact CE1-CE1 3.94Å; Y466-Y543 HydrophobicContact CE1-CE1 3.94Å; Y466-Y543 AromaticContact CE1-CZ 3.93Å; Y466-Y543 WeakPolarHBondContact CE1-OH 3.34Å
467	L	91.8	Very high	78.2	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62.2	-44.1	177.1	-68.2	-169.8	0	0	0	112.3	F463 L464 T465 M470 F471 I503 M506 F542	F463-L467 HydrophobicContact CD1-CD1 4.01Å; F463-L467 HydrophobicContact CD1-CD2 4.31Å; F463-L467 HydrophobicContact CD1-CG 3.86Å; F463-L467 HydrophobicContact CE1-CD1 3.7Å; F463-L467 HydrophobicContact CE1-CD2 3.52Å; F463-L467 HydrophobicContact CE1-CG 3.53Å; F463-L467 HydrophobicContact CZ-CD2 3.89Å; F463-L467 HydrophobicContact CZ-CG 4.33Å; F463-L467 WeakPolarHBondContact O-CG 3.44Å; F463-L467 PolarHBondContact O-N 3.44Å; L464-L467 PolarHBondContact O-N 3.25Å; T465-L467 VanDerWaalsContact C-N 3.35Å; T465-L467 PolarHBondContact O-N 3.22Å; L467-M470 PolarHBondContact O-N 3.48Å; L467-F471 VanDerWaalsContact O-CB 3.22Å; L467-F471 WeakPolarHBondContact O-CB 3.34Å; L467-F471 PolarHBondContact O-N 3.11Å; L467-I503 HydrophobicContact CB-CD1 4.33Å; L467-I503 HydrophobicContact CB-CG1 4.19Å; L467-M506 HydrophobicContact CD1-CE 3.52Å; L467-M506 HydrophobicContact CD1-SD 3.89Å; L467-F542 HydrophobicContact CD2-CB 4.39Å; L467-F542 HydrophobicContact CD2-CD1 3.36Å; L467-F542 HydrophobicContact CD2-CE1 3.57Å; L467-F542 HydrophobicContact CD2-CG 3.85Å; L467-F542 HydrophobicContact CD2-CZ 4.26Å
468	V	93.1	Very high	81.1	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.006	21%	0.206	C	C	.	.	H	α-helix	trans	-62.5	-45.5	177.2	170.3	0	0	0	0	110.6	F40 M44 G47 M49 L464 T465 F471 G472 I503	F40-V468 HydrophobicContact CZ-CG2 4.23Å; M44-V468 HydrophobicContact CB-CG1 4.12Å; M44-V468 HydrophobicContact CB-CG2 4.42Å; G47-V468 WeakPolarHBondContact CA-O 3.47Å; M49-V468 HydrophobicContact CB-CG1 4.46Å; L464-V468 HydrophobicContact CD1-CG2 4.38Å; L464-V468 WeakPolarHBondContact O-CG2 3.26Å; L464-V468 PolarHBondContact O-N 3.38Å; T465-V468 PolarHBondContact O-N 2.96Å; V468-F471 PolarHBondContact O-N 2.92Å; V468-G472 PolarHBondContact O-N 3.42Å; V468-I503 HydrophobicContact CG2-CG2 3.71Å
469	E	91.8	Very high	83.7	Confident	74 Å²	74	36.6 Å²	36.6	35%	0.346	19%	0.186	S	C	.	.	H	α-helix	trans	-62.1	-45.9	178	-72.5	174.3	174.3	0	0	112	T465 Y466 F471 G472 A473	T465-E469 HydrophobicContact CG2-CG 4.45Å; T465-E469 WeakPolarHBondContact O-CG 3.32Å; T465-E469 PolarHBondContact O-N 3.18Å; Y466-E469 PolarHBondContact O-N 3.24Å; E469-F471 VanDerWaalsContact C-N 3.33Å; E469-F471 PolarHBondContact O-N 2.98Å; E469-G472 PolarHBondContact O-N 3.32Å; E469-A473 WeakPolarHBondContact O-CB 3.31Å; E469-A473 PolarHBondContact O-N 2.8Å
470	M	91.5	Very high	85.9	Confident	63 Å²	63	40.2 Å²	40.2	31%	0.31	20%	0.202	S	C	.	.	H	α-helix	trans	-63.8	-37.9	176.2	-74.3	-61.5	-58.2	0	0	112.5	Y466 L467 T474 F542	Y466-M470 HydrophobicContact CD1-CG 4.06Å; Y466-M470 HydrophobicContact CD2-CG 4.36Å; Y466-M470 HydrophobicContact CE1-CG 3.55Å; Y466-M470 HydrophobicContact CE2-CG 3.94Å; Y466-M470 HydrophobicContact CE2-SD 4.22Å; Y466-M470 HydrophobicContact CG-CG 4.43Å; Y466-M470 WeakPolarHBondContact O-CB 3.19Å; Y466-M470 VanDerWaalsContact O-CG 3.27Å; Y466-M470 WeakPolarHBondContact O-CG 3.44Å; Y466-M470 PolarHBondContact O-N 3.14Å; L467-M470 PolarHBondContact O-N 3.48Å; M470-T474 WeakPolarHBondContact O-CB 3.24Å; M470-T474 PolarHBondContact O-N 2.92Å; M470-T474 PolarHBondContact O-OG1 3Å; M470-F542 HydrophobicContact CB-CE1 4.32Å; M470-F542 HydrophobicContact CB-CZ 4.43Å
471	F	93.9	Very high	87.7	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-65.7	-47.5	175.9	-179.6	-100	0	0	0	111.1	M44 F45 L467 V468 E469 A473 T474 V475 L496 A499 A500 I503 F542	M44-F471 HydrophobicContact CE-CE1 4.11Å; M44-F471 HydrophobicContact CE-CZ 4.39Å; M44-F471 HydrophobicContact CG-CD1 4.24Å; M44-F471 HydrophobicContact CG-CE1 4.12Å; M44-F471 WeakPolarHBondContact O-CD1 3.03Å; F45-F471 HydrophobicContact CB-CE1 4.43Å; F45-F471 AromaticContact CD1-CE1 3.88Å; F45-F471 HydrophobicContact CD1-CE1 3.88Å; F45-F471 HydrophobicContact CD1-CZ 4.05Å; F45-F471 AromaticContact CD2-CE1 3.99Å; F45-F471 HydrophobicContact CD2-CE1 3.99Å; F45-F471 HydrophobicContact CD2-CZ 4.5Å; F45-F471 HydrophobicContact CE1-CE1 4.08Å; F45-F471 AromaticContact CE1-CZ 3.8Å; F45-F471 HydrophobicContact CE1-CZ 3.8Å; F45-F471 HydrophobicContact CE2-CE1 4.18Å; F45-F471 HydrophobicContact CE2-CZ 4.28Å; F45-F471 AromaticContact CG-CE1 3.83Å; F45-F471 HydrophobicContact CG-CE1 3.83Å; F45-F471 HydrophobicContact CG-CZ 4.4Å; F45-F471 HydrophobicContact CZ-CE1 4.22Å; F45-F471 AromaticContact CZ-CZ 3.92Å; F45-F471 HydrophobicContact CZ-CZ 3.92Å; L467-F471 VanDerWaalsContact O-CB 3.22Å; L467-F471 WeakPolarHBondContact O-CB 3.34Å; L467-F471 PolarHBondContact O-N 3.11Å; V468-F471 PolarHBondContact O-N 2.92Å; E469-F471 VanDerWaalsContact C-N 3.33Å; E469-F471 PolarHBondContact O-N 2.98Å; F471-A473 PolarHBondContact O-N 3.42Å; F471-T474 VanDerWaalsContact O-CB 3.27Å; F471-T474 WeakPolarHBondContact O-CB 3.17Å; F471-T474 PolarHBondContact O-N 3.48Å; F471-T474 VanDerWaalsContact O-N 3.15Å; F471-V475 HydrophobicContact CD1-CG2 4.29Å; F471-V475 HydrophobicContact CE1-CG2 3.92Å; F471-V475 HydrophobicContact CZ-CG2 4.03Å; F471-V475 WeakPolarHBondContact O-CG2 3.39Å; F471-V475 PolarHBondContact O-N 3.34Å; F471-L496 HydrophobicContact CD2-CD1 4.14Å; F471-L496 HydrophobicContact CE2-CD1 3.41Å; F471-L496 VanDerWaalsContact CE2-CD1 3.41Å; F471-L496 HydrophobicContact CE2-CG 3.96Å; F471-L496 WeakPolarHBondContact CE2-O 3.36Å; F471-L496 HydrophobicContact CZ-CD1 3.89Å; F471-L496 HydrophobicContact CZ-CG 4.13Å; F471-A499 HydrophobicContact CD2-CB 4.1Å; F471-A499 HydrophobicContact CE2-CB 4.08Å; F471-A500 HydrophobicContact CE2-CB 4.09Å; F471-A500 HydrophobicContact CZ-CB 3.76Å; F471-I503 HydrophobicContact CB-CD1 3.54Å; F471-I503 HydrophobicContact CD1-CD1 4.38Å; F471-I503 HydrophobicContact CD2-CD1 4.08Å; F471-I503 HydrophobicContact CG-CD1 3.75Å; F471-F542 HydrophobicContact CB-CE2 4.29Å; F471-F542 HydrophobicContact CB-CZ 4.14Å; F471-F542 HydrophobicContact CD2-CE2 4.34Å
472	G	92.8	Very high	89.3	Confident	6 Å²	6	42.2 Å²	42.2	6%	0.062	21%	0.21	C	C	.	.	H	α-helix	trans	-59.6	-46	175.8	0	0	0	0	0	113.1	V468 E469 T474 V475 E476	V468-G472 PolarHBondContact O-N 3.42Å; E469-G472 PolarHBondContact O-N 3.32Å; G472-T474 PolarHBondContact O-N 3.48Å; G472-V475 PolarHBondContact O-N 3.03Å; G472-V475 VanDerWaalsContact O-N 3.13Å; G472-E476 PolarHBondContact O-N 3.09Å
473	A	91.6	Very high	90.3	Very high	44 Å²	44	40.8 Å²	40.8	36%	0.364	21%	0.209	S	C	.	.	H	α-helix	trans	-60.7	-35.3	176	0	0	0	0	0	112.3	E469 F471 E477	E469-A473 WeakPolarHBondContact O-CB 3.31Å; E469-A473 PolarHBondContact O-N 2.8Å; F471-A473 PolarHBondContact O-N 3.42Å; A473-E477 WeakPolarHBondContact O-CB 3.36Å; A473-E477 PolarHBondContact O-N 3.36Å
474	T	91.4	Very high	90.6	Very high	3 Å²	3	47.5 Å²	47.5	2%	0.018	24%	0.238	C	C	.	.	H	α-helix	trans	-65	-46.7	173.5	-62.9	0	0	0	0	111.6	M470 F471 G472 E476 E477 L478 L496 I546 R549	M470-T474 WeakPolarHBondContact O-CB 3.24Å; M470-T474 PolarHBondContact O-N 2.92Å; M470-T474 PolarHBondContact O-OG1 3Å; F471-T474 VanDerWaalsContact O-CB 3.27Å; F471-T474 WeakPolarHBondContact O-CB 3.17Å; F471-T474 PolarHBondContact O-N 3.48Å; F471-T474 VanDerWaalsContact O-N 3.15Å; G472-T474 PolarHBondContact O-N 3.48Å; T474-E476 VanDerWaalsContact C-N 3.25Å; T474-E476 PolarHBondContact O-N 3.23Å; T474-E477 PolarHBondContact O-N 3.4Å; T474-L478 HydrophobicContact CG2-CD1 4.01Å; T474-L478 HydrophobicContact CG2-CG 4.35Å; T474-L478 VanDerWaalsContact O-CG 3.27Å; T474-L478 WeakPolarHBondContact O-CG 3.18Å; T474-L478 PolarHBondContact O-N 3.08Å; T474-L496 HydrophobicContact CG2-CD1 4.2Å; T474-I546 HydrophobicContact CG2-CD1 4.23Å; T474-R549 PolarHBondContact OG1-NH1 3.12Å; T474-R549 PolarHBondContact OG1-NH2 3.22Å
475	V	92.3	Very high	90.7	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.006	25%	0.254	C	S	.	.	H	α-helix	trans	-60.1	-41.8	179.3	176.4	0	0	0	0	110.2	F45 I426 L429 F471 G472 L478 L479 L496	F45-V475 HydrophobicContact CD1-CG1 4.33Å; F45-V475 HydrophobicContact CD1-CG2 3.89Å; I426-V475 HydrophobicContact CG1-CG1 4Å; L429-V475 HydrophobicContact CD1-CG1 3.48Å; L429-V475 VanDerWaalsContact CD1-CG1 3.48Å; F471-V475 HydrophobicContact CD1-CG2 4.29Å; F471-V475 HydrophobicContact CE1-CG2 3.92Å; F471-V475 HydrophobicContact CZ-CG2 4.03Å; F471-V475 WeakPolarHBondContact O-CG2 3.39Å; F471-V475 PolarHBondContact O-N 3.34Å; G472-V475 PolarHBondContact O-N 3.03Å; G472-V475 VanDerWaalsContact O-N 3.13Å; V475-L478 PolarHBondContact O-N 3.36Å; V475-L479 HydrophobicContact CG1-CD1 4.22Å; V475-L479 WeakPolarHBondContact O-CB 3.27Å; V475-L479 WeakPolarHBondContact O-CG 3.23Å; V475-L479 PolarHBondContact O-N 3.19Å; V475-L496 HydrophobicContact CG2-CD1 3.94Å; V475-L496 HydrophobicContact CG2-CD2 4.32Å
476	E	89.5	Confident	90.8	Very high	59 Å²	59	49.2 Å²	49.2	28%	0.276	25%	0.251	S	S	.	.	H	α-helix	trans	-60.9	-49.1	175.3	-173.6	178.6	-179.4	0	0	112.1	I439 G472 T474 L478 L479 I480	I439-E476 WeakPolarHBondContact CG2-OE1 3.2Å; G472-E476 PolarHBondContact O-N 3.09Å; T474-E476 VanDerWaalsContact C-N 3.25Å; T474-E476 PolarHBondContact O-N 3.23Å; E476-L478 VanDerWaalsContact C-N 3.3Å; E476-L478 PolarHBondContact O-N 2.77Å; E476-L479 PolarHBondContact O-N 3.34Å; E476-I480 HydrophobicContact CG-CD1 3.96Å; E476-I480 WeakPolarHBondContact O-CG1 3.09Å; E476-I480 PolarHBondContact O-N 3.11Å
477	E	90.3	Very high	90.8	Very high	98 Å²	98	49.3 Å²	49.3	46%	0.458	26%	0.257	S	S	.	.	H	α-helix	trans	-54.9	-45.8	175.8	-176.1	-172	-176.8	0	0	111.6	A473 T474 I480 K481 R549	A473-E477 WeakPolarHBondContact O-CB 3.36Å; A473-E477 PolarHBondContact O-N 3.36Å; T474-E477 PolarHBondContact O-N 3.4Å; E477-I480 PolarHBondContact O-N 2.99Å; E477-K481 WeakPolarHBondContact O-CB 3.37Å; E477-K481 PolarHBondContact O-N 3.37Å; E477-R549 IonicContact OE2-NH2 3.06Å; E477-R549 PolarHBondContact OE2-NH2 3.19Å
478	L	90	Very high	90.6	Very high	10 Å²	10	54.8 Å²	54.8	5%	0.052	29%	0.286	C	S	.	.	H	α-helix	trans	-65.9	-39.7	179.4	-67.5	176.4	0	0	0	112.2	T474 V475 E476 K481 Y482 I486 I492 L496	T474-L478 HydrophobicContact CG2-CD1 4.01Å; T474-L478 HydrophobicContact CG2-CG 4.35Å; T474-L478 VanDerWaalsContact O-CG 3.27Å; T474-L478 WeakPolarHBondContact O-CG 3.18Å; T474-L478 PolarHBondContact O-N 3.08Å; V475-L478 PolarHBondContact O-N 3.36Å; E476-L478 VanDerWaalsContact C-N 3.3Å; E476-L478 PolarHBondContact O-N 2.77Å; L478-K481 PolarHBondContact O-N 2.91Å; L478-Y482 HydrophobicContact CD2-CD2 4.39Å; L478-Y482 HydrophobicContact CD2-CE2 3.93Å; L478-Y482 WeakPolarHBondContact O-CD2 3.35Å; L478-Y482 PolarHBondContact O-N 3.43Å; L478-I486 HydrophobicContact CB-CD1 3.8Å; L478-I492 HydrophobicContact CD1-CG2 3.68Å; L478-I492 HydrophobicContact CD2-CG2 3.65Å; L478-I492 HydrophobicContact CG-CG2 4.29Å; L478-L496 HydrophobicContact CD1-CD1 4.21Å; L478-L496 HydrophobicContact CD1-CD2 4.24Å
479	L	90.2	Very high	90.5	Very high	43 Å²	43	58.2 Å²	58.2	23%	0.225	30%	0.301	C	S	.	.	H	α-helix	trans	-67.7	-38.3	176.6	-80.4	177.8	0	0	0	112.7	I426 L429 V475 E476 K481 G483 I486	I426-L479 HydrophobicContact CG2-CD1 4.25Å; I426-L479 HydrophobicContact CG2-CD2 3.7Å; I426-L479 HydrophobicContact CG2-CG 4.36Å; L429-L479 HydrophobicContact CD1-CD1 3.52Å; V475-L479 HydrophobicContact CG1-CD1 4.22Å; V475-L479 WeakPolarHBondContact O-CB 3.27Å; V475-L479 WeakPolarHBondContact O-CG 3.23Å; V475-L479 PolarHBondContact O-N 3.19Å; E476-L479 PolarHBondContact O-N 3.34Å; L479-K481 VanDerWaalsContact C-N 3.35Å; L479-G483 VanDerWaalsContact O-CA 3.23Å; L479-G483 WeakPolarHBondContact O-CA 3.39Å; L479-G483 PolarHBondContact O-N 2.78Å; L479-I486 HydrophobicContact CD2-CD1 4.31Å; L479-I486 HydrophobicContact CD2-CG2 4.43Å
480	I	90	Very high	90.4	Very high	115 Å²	115	60.1 Å²	60.1	59%	0.59	31%	0.309	S	S	*	.	H	α-helix	trans	-64	-43.5	173.6	-68.8	167.3	0	0	0	110	E476 E477	E476-I480 HydrophobicContact CG-CD1 3.96Å; E476-I480 WeakPolarHBondContact O-CG1 3.09Å; E476-I480 PolarHBondContact O-N 3.11Å; E477-I480 PolarHBondContact O-N 2.99Å
481	K	89.6	Confident	90.3	Very high	117 Å²	117	61.3 Å²	61.3	51%	0.509	31%	0.313	S	S	.	.	H	α-helix	trans	-69.9	-45.1	-176.8	-173.6	175.7	175.9	-167.8	0	113.2	E477 L478 L479 E553	E477-K481 WeakPolarHBondContact O-CB 3.37Å; E477-K481 PolarHBondContact O-N 3.37Å; L478-K481 PolarHBondContact O-N 2.91Å; L479-K481 VanDerWaalsContact C-N 3.35Å; K481-E553 IonicContact NZ-OE1 2.68Å; K481-E553 PolarHBondContact NZ-OE1 3.3Å; K481-E553 IonicContact NZ-OE2 3.56Å; K481-E553 PolarHBondContact NZ-OE2 2.9Å
482	Y	89.4	Confident	90	Very high	26 Å²	26	62 Å²	62	10%	0.102	32%	0.316	C	S	.	.	H	α-helix	trans	-109.8	-18.6	-171	-59.2	-71.6	0	0	0	114.6	L478 K484 S485 K489 I492 E553	L478-Y482 HydrophobicContact CD2-CD2 4.39Å; L478-Y482 HydrophobicContact CD2-CE2 3.93Å; L478-Y482 WeakPolarHBondContact O-CD2 3.35Å; L478-Y482 PolarHBondContact O-N 3.43Å; Y482-K484 PolarHBondContact O-N 3.14Å; Y482-S485 WeakPolarHBondContact O-CB 3.42Å; Y482-S485 PolarHBondContact O-N 2.94Å; Y482-S485 PolarHBondContact O-OG 3.06Å; Y482-K489 HydrophobicContact CD1-CD 4.34Å; Y482-K489 HydrophobicContact CD1-CG 4.07Å; Y482-K489 HydrophobicContact CE1-CD 4.28Å; Y482-K489 HydrophobicContact CE1-CG 4.29Å; Y482-K489 HydrophobicContact CG-CG 4.23Å; Y482-I492 HydrophobicContact CD2-CD1 4.47Å; Y482-I492 HydrophobicContact CE1-CD1 4.44Å; Y482-I492 HydrophobicContact CE2-CD1 3.49Å; Y482-I492 VanDerWaalsContact CE2-CD1 3.49Å; Y482-I492 VanDerWaalsContact CZ-CD1 3.47Å; Y482-I492 WeakPolarHBondContact OH-CD1 3.42Å; Y482-E553 PolarHBondContact OH-OE1 2.75Å; Y482-E553 PolarHBondContact OH-OE2 3.39Å
483	G	89.3	Confident	90	Very high	36 Å²	36	61.7 Å²	61.7	37%	0.371	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	51.3	-125.7	-174.6	0	0	0	0	0	112.2	L479 S485 I486	L479-G483 VanDerWaalsContact O-CA 3.23Å; L479-G483 WeakPolarHBondContact O-CA 3.39Å; L479-G483 PolarHBondContact O-N 2.78Å; G483-S485 VanDerWaalsContact C-N 3.34Å; G483-S485 PolarHBondContact O-N 3.4Å; G483-I486 VanDerWaalsContact O-CG2 3.26Å; G483-I486 WeakPolarHBondContact O-CG2 3.45Å
484	K	87.2	Confident	90.1	Very high	186 Å²	186	61.8 Å²	61.8	81%	0.809	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-69.6	-27.4	179.1	-65.7	-175.9	-178.9	178.8	0	113.6	Y482 I486 I487	Y482-K484 PolarHBondContact O-N 3.14Å; K484-I486 PolarHBondContact O-N 3.43Å; K484-I486 VanDerWaalsContact O-N 3.14Å; K484-I487 WeakPolarHBondContact O-CG1 3.29Å
485	S	90.7	Very high	90.1	Very high	52 Å²	52	62.8 Å²	62.8	36%	0.364	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-70	-6	-179.5	73.8	0	0	0	0	113.7	Y482 G483 I487 D488	Y482-S485 WeakPolarHBondContact O-CB 3.42Å; Y482-S485 PolarHBondContact O-N 2.94Å; Y482-S485 PolarHBondContact O-OG 3.06Å; G483-S485 VanDerWaalsContact C-N 3.34Å; G483-S485 PolarHBondContact O-N 3.4Å; S485-I487 PolarHBondContact O-N 3.17Å; S485-I487 VanDerWaalsContact O-N 3.12Å; S485-D488 PolarHBondContact O-N 3.5Å; S485-D488 VanDerWaalsContact O-N 3.13Å
486	I	90.4	Very high	90.1	Very high	5 Å²	5	63 Å²	63	3%	0.026	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-58.3	-26	176.9	-161.7	166.5	0	0	0	112.3	I426 L478 L479 G483 K484 D488 K489 L493	I426-I486 HydrophobicContact CD1-CD1 3.86Å; L478-I486 HydrophobicContact CB-CD1 3.8Å; L479-I486 HydrophobicContact CD2-CD1 4.31Å; L479-I486 HydrophobicContact CD2-CG2 4.43Å; G483-I486 VanDerWaalsContact O-CG2 3.26Å; G483-I486 WeakPolarHBondContact O-CG2 3.45Å; K484-I486 PolarHBondContact O-N 3.43Å; K484-I486 VanDerWaalsContact O-N 3.14Å; I486-D488 PolarHBondContact O-N 3.01Å; I486-K489 WeakPolarHBondContact O-CB 3.27Å; I486-K489 PolarHBondContact O-N 3.46Å; I486-L493 HydrophobicContact CG1-CD2 4.17Å; I486-L493 WeakPolarHBondContact O-CD1 3.32Å
487	I	89.9	Confident	90.4	Very high	97 Å²	97	60.2 Å²	60.2	50%	0.497	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-59	-29.7	178.9	67.7	-179.4	0	0	0	112.8	L423 K484 S485	L423-I487 HydrophobicContact CD2-CB 4.3Å; L423-I487 HydrophobicContact CD2-CG2 3.95Å; K484-I487 WeakPolarHBondContact O-CG1 3.29Å; S485-I487 PolarHBondContact O-N 3.17Å; S485-I487 VanDerWaalsContact O-N 3.12Å
488	D	88.6	Confident	90.7	Very high	115 Å²	115	57.2 Å²	57.2	62%	0.615	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-90.1	-5	-178.1	-54.7	-50.3	0	0	0	112.2	S485 I486 Q490	S485-D488 PolarHBondContact O-N 3.5Å; S485-D488 VanDerWaalsContact O-N 3.13Å; I486-D488 PolarHBondContact O-N 3.01Å; D488-Q490 VanDerWaalsContact C-N 3.34Å; D488-Q490 PolarHBondContact O-N 2.91Å; D488-Q490 VanDerWaalsContact O-N 3.13Å
489	K	90.1	Very high	90.9	Very high	73 Å²	73	56.8 Å²	56.8	32%	0.317	29%	0.289	S	S	.	.			trans	-91.7	59.5	-173.4	-56.3	-56.9	-178.7	179.8	0	112.2	Y482 I486 F491 I492 L493	Y482-K489 HydrophobicContact CD1-CD 4.34Å; Y482-K489 HydrophobicContact CD1-CG 4.07Å; Y482-K489 HydrophobicContact CE1-CD 4.28Å; Y482-K489 HydrophobicContact CE1-CG 4.29Å; Y482-K489 HydrophobicContact CG-CG 4.23Å; I486-K489 WeakPolarHBondContact O-CB 3.27Å; I486-K489 PolarHBondContact O-N 3.46Å; K489-F491 VanDerWaalsContact C-N 3.29Å; K489-F491 PolarHBondContact O-N 2.8Å; K489-I492 HydrophobicContact CB-CB 4.16Å; K489-I492 HydrophobicContact CB-CD1 4.07Å; K489-I492 HydrophobicContact CB-CG1 4.28Å; K489-I492 HydrophobicContact CG-CD1 4.47Å; K489-I492 WeakPolarHBondContact O-CA 3.49Å; K489-I492 WeakPolarHBondContact O-CB 3.33Å; K489-I492 PolarHBondContact O-N 2.77Å; K489-L493 WeakPolarHBondContact O-CG 3Å; K489-L493 PolarHBondContact O-N 3.29Å
490	Q	90.1	Very high	91.2	Very high	113 Å²	113	54.7 Å²	54.7	53%	0.528	28%	0.278	S	S	.	.	H	α-helix	trans	-57.8	-35.9	-175.1	-60.9	-173.1	19.3	0	0	114	L419 D488 I492 L493 T494	L419-Q490 HydrophobicContact CD1-CG 4.38Å; L419-Q490 HydrophobicContact CD2-CB 4.24Å; L419-Q490 HydrophobicContact CD2-CG 3.99Å; D488-Q490 VanDerWaalsContact C-N 3.34Å; D488-Q490 PolarHBondContact O-N 2.91Å; D488-Q490 VanDerWaalsContact O-N 3.13Å; Q490-I492 PolarHBondContact O-N 3.36Å; Q490-L493 PolarHBondContact O-N 3.1Å; Q490-T494 VanDerWaalsContact O-CB 3.3Å; Q490-T494 WeakPolarHBondContact O-CB 3.1Å; Q490-T494 PolarHBondContact O-N 3.31Å; Q490-T494 PolarHBondContact O-OG1 2.94Å
491	F	88.4	Confident	91.5	Very high	88 Å²	88	49.5 Å²	49.5	39%	0.386	25%	0.252	S	S	.	.	H	α-helix	trans	-65.2	-16.9	175.3	-65.3	-75.8	0	0	0	113.8	K489 P495 I559 V560	K489-F491 VanDerWaalsContact C-N 3.29Å; K489-F491 PolarHBondContact O-N 2.8Å; F491-P495 WeakPolarHBondContact O-CD 3.22Å; F491-P495 VanDerWaalsContact O-CG 3.3Å; F491-P495 WeakPolarHBondContact O-CG 3.43Å; F491-I559 HydrophobicContact CE1-CB 4.4Å; F491-I559 HydrophobicContact CE1-CD1 4.02Å; F491-I559 HydrophobicContact CE1-CG2 4.19Å; F491-I559 HydrophobicContact CZ-CB 4.24Å; F491-I559 HydrophobicContact CZ-CG2 3.92Å; F491-V560 HydrophobicContact CE2-CG2 3.93Å; F491-V560 HydrophobicContact CZ-CG2 4.4Å
492	I	89.4	Confident	91.8	Very high	14 Å²	14	45 Å²	45	7%	0.072	23%	0.233	C	C	.	.	H	α-helix	trans	-99.7	-44	175.7	-58.9	-179.3	0	0	0	110.3	L478 Y482 K489 Q490 T494 P495 L496	L478-I492 HydrophobicContact CD1-CG2 3.68Å; L478-I492 HydrophobicContact CD2-CG2 3.65Å; L478-I492 HydrophobicContact CG-CG2 4.29Å; Y482-I492 HydrophobicContact CD2-CD1 4.47Å; Y482-I492 HydrophobicContact CE1-CD1 4.44Å; Y482-I492 HydrophobicContact CE2-CD1 3.49Å; Y482-I492 VanDerWaalsContact CE2-CD1 3.49Å; Y482-I492 VanDerWaalsContact CZ-CD1 3.47Å; Y482-I492 WeakPolarHBondContact OH-CD1 3.42Å; K489-I492 HydrophobicContact CB-CB 4.16Å; K489-I492 HydrophobicContact CB-CD1 4.07Å; K489-I492 HydrophobicContact CB-CG1 4.28Å; K489-I492 HydrophobicContact CG-CD1 4.47Å; K489-I492 WeakPolarHBondContact O-CA 3.49Å; K489-I492 WeakPolarHBondContact O-CB 3.33Å; K489-I492 PolarHBondContact O-N 2.77Å; Q490-I492 PolarHBondContact O-N 3.36Å; I492-T494 VanDerWaalsContact C-N 3.32Å; I492-T494 PolarHBondContact O-N 2.89Å; I492-P495 WeakPolarHBondContact O-CD 3.43Å; I492-L496 WeakPolarHBondContact O-CB 3.35Å; I492-L496 PolarHBondContact O-N 3.35Å; I492-L496 VanDerWaalsContact O-N 3.15Å
493	L	92	Very high	92.1	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-62.4	-37.4	-180	-67.4	173.6	0	0	0	112.3	L419 A422 L423 I426 I486 K489 Q490 L496 A497	L419-L493 HydrophobicContact CD2-CB 3.96Å; L419-L493 HydrophobicContact CD2-CD1 4.01Å; A422-L493 HydrophobicContact CB-CB 3.95Å; A422-L493 HydrophobicContact CB-CD2 3.72Å; A422-L493 HydrophobicContact CB-CG 4.41Å; L423-L493 HydrophobicContact CD2-CD1 3.82Å; L423-L493 HydrophobicContact CD2-CD2 4.11Å; L423-L493 HydrophobicContact CG-CD1 4.22Å; I426-L493 HydrophobicContact CD1-CD2 3.97Å; I486-L493 HydrophobicContact CG1-CD2 4.17Å; I486-L493 WeakPolarHBondContact O-CD1 3.32Å; K489-L493 WeakPolarHBondContact O-CG 3Å; K489-L493 PolarHBondContact O-N 3.29Å; Q490-L493 PolarHBondContact O-N 3.1Å; L493-L496 WeakPolarHBondContact O-CB 3.3Å; L493-L496 PolarHBondContact O-N 2.72Å; L493-A497 WeakPolarHBondContact O-CB 3.42Å; L493-A497 PolarHBondContact O-N 3.09Å
494	T	93.2	Very high	92.5	Very high	46 Å²	46	42.1 Å²	42.1	28%	0.282	21%	0.21	S	C	.	.	H	α-helix	trans	-65.5	-54	-178.2	-59	0	0	0	0	111.7	Q490 I492 L496 A497 D498	Q490-T494 VanDerWaalsContact O-CB 3.3Å; Q490-T494 WeakPolarHBondContact O-CB 3.1Å; Q490-T494 PolarHBondContact O-N 3.31Å; Q490-T494 PolarHBondContact O-OG1 2.94Å; I492-T494 VanDerWaalsContact C-N 3.32Å; I492-T494 PolarHBondContact O-N 2.89Å; T494-L496 VanDerWaalsContact C-N 3.26Å; T494-L496 PolarHBondContact O-N 3.3Å; T494-A497 PolarHBondContact O-N 3.32Å; T494-D498 PolarHBondContact O-N 3.41Å
495	P	91.3	Very high	92.9	Very high	24 Å²	24	33.2 Å²	33.2	16%	0.156	17%	0.172	C	C	.	.	H	α-helix	trans	-59.2	-33.2	171.6	-25.9	34.2	0	0	0	114.2	F491 I492 D498 A499	F491-P495 WeakPolarHBondContact O-CD 3.22Å; F491-P495 VanDerWaalsContact O-CG 3.3Å; F491-P495 WeakPolarHBondContact O-CG 3.43Å; I492-P495 WeakPolarHBondContact O-CD 3.43Å; P495-D498 PolarHBondContact O-N 3.39Å; P495-A499 WeakPolarHBondContact O-CB 3.32Å; P495-A499 PolarHBondContact O-N 2.99Å
496	L	93.1	Very high	93.2	Very high	6 Å²	6	30.8 Å²	30.8	3%	0.031	16%	0.155	C	C	.	.	H	α-helix	trans	-64.3	-46.1	176.5	-173.5	71.6	0	0	0	111.1	F45 A422 I426 F471 T474 V475 L478 I492 L493 T494 D498 A499 A500	F45-L496 HydrophobicContact CE1-CD2 4.43Å; A422-L496 HydrophobicContact CB-CD2 4.33Å; I426-L496 HydrophobicContact CD1-CD2 4.15Å; F471-L496 HydrophobicContact CD2-CD1 4.14Å; F471-L496 HydrophobicContact CE2-CD1 3.41Å; F471-L496 VanDerWaalsContact CE2-CD1 3.41Å; F471-L496 HydrophobicContact CE2-CG 3.96Å; F471-L496 WeakPolarHBondContact CE2-O 3.36Å; F471-L496 HydrophobicContact CZ-CD1 3.89Å; F471-L496 HydrophobicContact CZ-CG 4.13Å; T474-L496 HydrophobicContact CG2-CD1 4.2Å; V475-L496 HydrophobicContact CG2-CD1 3.94Å; V475-L496 HydrophobicContact CG2-CD2 4.32Å; L478-L496 HydrophobicContact CD1-CD1 4.21Å; L478-L496 HydrophobicContact CD1-CD2 4.24Å; I492-L496 WeakPolarHBondContact O-CB 3.35Å; I492-L496 PolarHBondContact O-N 3.35Å; I492-L496 VanDerWaalsContact O-N 3.15Å; L493-L496 WeakPolarHBondContact O-CB 3.3Å; L493-L496 PolarHBondContact O-N 2.72Å; T494-L496 VanDerWaalsContact C-N 3.26Å; T494-L496 PolarHBondContact O-N 3.3Å; L496-D498 VanDerWaalsContact C-N 3.33Å; L496-D498 PolarHBondContact O-N 3.16Å; L496-A499 PolarHBondContact O-N 3.22Å; L496-A500 WeakPolarHBondContact O-CB 3.08Å; L496-A500 PolarHBondContact O-N 2.86Å
497	A	95.9	Very high	93.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-62.2	-40.5	174.1	0	0	0	0	0	112	R418 I421 A422 L493 T494 A499 A500 I501	R418-A497 HydrophobicContact CB-CB 3.75Å; R418-A497 HydrophobicContact CG-CB 4Å; R418-A497 WeakPolarHBondContact O-CB 3.19Å; I421-A497 HydrophobicContact CB-CB 4.11Å; I421-A497 HydrophobicContact CG2-CB 4.02Å; A422-A497 HydrophobicContact CB-CB 4.36Å; L493-A497 WeakPolarHBondContact O-CB 3.42Å; L493-A497 PolarHBondContact O-N 3.09Å; T494-A497 PolarHBondContact O-N 3.32Å; A497-A499 VanDerWaalsContact C-N 3.32Å; A497-A499 PolarHBondContact O-N 3.39Å; A497-A500 WeakPolarHBondContact O-CB 3.49Å; A497-A500 PolarHBondContact O-N 2.68Å; A497-I501 WeakPolarHBondContact O-CD1 3.13Å; A497-I501 VanDerWaalsContact O-CG1 3.24Å; A497-I501 WeakPolarHBondContact O-CG1 3.33Å; A497-I501 PolarHBondContact O-N 2.95Å
498	D	95.5	Very high	93.8	Very high	35 Å²	35	26 Å²	26	19%	0.187	13%	0.13	C	C	.	.	H	α-helix	trans	-64.6	-34.5	175.5	-80.2	-23.9	0	0	0	112.8	R418 T494 P495 L496 E502 K545	R418-D498 IonicContact CZ-OD1 2.8Å; R418-D498 IonicContact NE-OD1 3.35Å; R418-D498 PolarHBondContact NE-OD1 2.9Å; R418-D498 IonicContact NE-OD2 3Å; R418-D498 IonicContact NH2-OD1 2.81Å; R418-D498 PolarHBondContact NH2-OD1 3.24Å; T494-D498 PolarHBondContact O-N 3.41Å; P495-D498 PolarHBondContact O-N 3.39Å; L496-D498 VanDerWaalsContact C-N 3.33Å; L496-D498 PolarHBondContact O-N 3.16Å; D498-E502 WeakPolarHBondContact O-CG 3.2Å; D498-E502 PolarHBondContact O-N 3.33Å; D498-K545 HydrophobicContact CB-CD 3.89Å; D498-K545 PolarHBondContact O-NZ 3.32Å
499	A	94.8	Very high	94.2	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-69.2	-41	173.5	0	0	0	0	0	111.4	F471 P495 L496 A497 E502 I503 F542 I546	F471-A499 HydrophobicContact CD2-CB 4.1Å; F471-A499 HydrophobicContact CE2-CB 4.08Å; P495-A499 WeakPolarHBondContact O-CB 3.32Å; P495-A499 PolarHBondContact O-N 2.99Å; L496-A499 PolarHBondContact O-N 3.22Å; A497-A499 VanDerWaalsContact C-N 3.32Å; A497-A499 PolarHBondContact O-N 3.39Å; A499-E502 PolarHBondContact O-N 3.49Å; A499-I503 WeakPolarHBondContact O-CG1 3.38Å; A499-I503 PolarHBondContact O-N 2.83Å; A499-F542 HydrophobicContact CB-CD2 3.95Å; A499-F542 HydrophobicContact CB-CE2 3.89Å; A499-I546 HydrophobicContact CB-CD1 4.23Å
500	A	96.2	Very high	94.5	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-58.6	-48.5	175.1	0	0	0	0	0	112.5	M44 F45 M366 I421 F471 L496 A497 E502 I503 F504	M44-A500 HydrophobicContact CE-CB 3.18Å; F45-A500 HydrophobicContact CE2-CB 4.36Å; F45-A500 HydrophobicContact CZ-CB 4.2Å; M366-A500 HydrophobicContact CE-CB 4.04Å; I421-A500 HydrophobicContact CG2-CB 4.03Å; F471-A500 HydrophobicContact CE2-CB 4.09Å; F471-A500 HydrophobicContact CZ-CB 3.76Å; L496-A500 WeakPolarHBondContact O-CB 3.08Å; L496-A500 PolarHBondContact O-N 2.86Å; A497-A500 WeakPolarHBondContact O-CB 3.49Å; A497-A500 PolarHBondContact O-N 2.68Å; A500-E502 VanDerWaalsContact C-N 3.3Å; A500-E502 PolarHBondContact O-N 2.83Å; A500-I503 PolarHBondContact O-N 2.99Å; A500-F504 PolarHBondContact O-N 3.1Å
501	I	97.4	Very high	94.7	Very high	6 Å²	6	12.3 Å²	12.3	3%	0.031	6%	0.064	C	C	.	.	H	α-helix	trans	-56.8	-44.5	177.2	-70.2	163.2	0	0	0	111.2	M366 I369 Y370 I421 A497 F504 A505	M366-I501 HydrophobicContact CB-CG1 3.9Å; M366-I501 HydrophobicContact CG-CG1 3.72Å; I369-I501 HydrophobicContact CB-CD1 3.98Å; I369-I501 HydrophobicContact CD1-CD1 3.77Å; I369-I501 HydrophobicContact CG2-CD1 3.75Å; Y370-I501 HydrophobicContact CD2-CG2 3.71Å; Y370-I501 HydrophobicContact CG-CG2 4.31Å; I421-I501 HydrophobicContact CD1-CD1 4.04Å; I421-I501 HydrophobicContact CD1-CG1 4.04Å; A497-I501 WeakPolarHBondContact O-CD1 3.13Å; A497-I501 VanDerWaalsContact O-CG1 3.24Å; A497-I501 WeakPolarHBondContact O-CG1 3.33Å; A497-I501 PolarHBondContact O-N 2.95Å; I501-F504 PolarHBondContact O-N 3.45Å; I501-A505 WeakPolarHBondContact O-CB 2.79Å; I501-A505 PolarHBondContact O-N 3.17Å
502	E	95.5	Very high	95.1	Very high	23 Å²	23	9.7 Å²	9.7	11%	0.107	5%	0.051	C	C	.	.	H	α-helix	trans	-69.4	-39.1	-177.4	-65.4	-79	-167.5	0	0	112.6	D498 A499 A500 A505 M506 V538 K545	D498-E502 WeakPolarHBondContact O-CG 3.2Å; D498-E502 PolarHBondContact O-N 3.33Å; A499-E502 PolarHBondContact O-N 3.49Å; A500-E502 VanDerWaalsContact C-N 3.3Å; A500-E502 PolarHBondContact O-N 2.83Å; E502-A505 PolarHBondContact O-N 3.19Å; E502-M506 WeakPolarHBondContact O-CB 3.3Å; E502-M506 PolarHBondContact O-N 2.91Å; E502-V538 HydrophobicContact CB-CG1 3.77Å; E502-V538 WeakPolarHBondContact OE2-CG2 3.16Å; E502-K545 VanDerWaalsContact CG-NZ 3.33Å; E502-K545 IonicContact OE1-NZ 3.71Å; E502-K545 PolarHBondContact OE1-NZ 2.75Å; E502-K545 VanDerWaalsContact OE1-NZ 3.16Å
503	I	95.5	Very high	95.4	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-60.5	-48.1	173.3	-72.9	172.1	0	0	0	110	F40 M44 L464 L467 V468 F471 A499 A500 M506 A507 F542	F40-I503 HydrophobicContact CE1-CG2 4.07Å; F40-I503 HydrophobicContact CZ-CG2 3.91Å; M44-I503 HydrophobicContact SD-CB 4.18Å; M44-I503 HydrophobicContact SD-CG2 3.77Å; L464-I503 HydrophobicContact CD1-CG2 4.12Å; L467-I503 HydrophobicContact CB-CD1 4.33Å; L467-I503 HydrophobicContact CB-CG1 4.19Å; V468-I503 HydrophobicContact CG2-CG2 3.71Å; F471-I503 HydrophobicContact CB-CD1 3.54Å; F471-I503 HydrophobicContact CD1-CD1 4.38Å; F471-I503 HydrophobicContact CD2-CD1 4.08Å; F471-I503 HydrophobicContact CG-CD1 3.75Å; A499-I503 WeakPolarHBondContact O-CG1 3.38Å; A499-I503 PolarHBondContact O-N 2.83Å; A500-I503 PolarHBondContact O-N 2.99Å; I503-M506 PolarHBondContact O-N 3.11Å; I503-A507 WeakPolarHBondContact O-CB 3.3Å; I503-A507 PolarHBondContact O-N 3.42Å; I503-F542 HydrophobicContact CD1-CD2 4.22Å; I503-F542 HydrophobicContact CD1-CE2 3.53Å; I503-F542 HydrophobicContact CD1-CZ 4.22Å; I503-F542 HydrophobicContact CG1-CD2 4.2Å; I503-F542 HydrophobicContact CG1-CE2 4.01Å
504	F	97	Very high	95.4	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-62.3	-47.7	178.9	179.5	-121.7	0	0	0	111.4	F40 I54 M345 M348 I349 E363 M366 A500 I501 M506 A507 V508	F40-F504 AromaticContact CD1-CD2 3.77Å; F40-F504 HydrophobicContact CD1-CD2 3.77Å; F40-F504 HydrophobicContact CD1-CE2 4.48Å; F40-F504 HydrophobicContact CE1-CB 4.45Å; F40-F504 HydrophobicContact CE1-CD2 4.14Å; I54-F504 HydrophobicContact CG2-CE2 4.24Å; M345-F504 HydrophobicContact CE-CD1 3.5Å; M345-F504 VanDerWaalsContact CE-CD1 3.5Å; M345-F504 HydrophobicContact CE-CE1 3.82Å; M345-F504 HydrophobicContact CG-CE1 4.47Å; M348-F504 HydrophobicContact CG-CZ 4.34Å; I349-F504 HydrophobicContact CD1-CE1 4.25Å; I349-F504 HydrophobicContact CD1-CZ 4.47Å; I349-F504 HydrophobicContact CG1-CZ 4.31Å; E363-F504 HydrophobicContact CB-CE1 3.93Å; E363-F504 HydrophobicContact CB-CE2 4.34Å; E363-F504 HydrophobicContact CB-CZ 3.68Å; E363-F504 HydrophobicContact CG-CD2 4.35Å; E363-F504 HydrophobicContact CG-CE1 4.11Å; E363-F504 HydrophobicContact CG-CE2 3.64Å; E363-F504 HydrophobicContact CG-CZ 3.51Å; M366-F504 HydrophobicContact CB-CD1 4.07Å; M366-F504 HydrophobicContact SD-CB 3.71Å; M366-F504 HydrophobicContact SD-CD1 3.94Å; M366-F504 HydrophobicContact SD-CG 3.95Å; A500-F504 PolarHBondContact O-N 3.1Å; I501-F504 PolarHBondContact O-N 3.45Å; F504-M506 VanDerWaalsContact C-N 3.3Å; F504-M506 PolarHBondContact O-N 3.41Å; F504-A507 PolarHBondContact O-N 3.01Å; F504-V508 HydrophobicContact CD2-CG2 3.94Å; F504-V508 HydrophobicContact CE1-CG2 4.27Å; F504-V508 HydrophobicContact CE2-CG2 3.54Å; F504-V508 HydrophobicContact CG-CG2 4.48Å; F504-V508 HydrophobicContact CZ-CG2 3.71Å; F504-V508 VanDerWaalsContact O-CG2 3.32Å; F504-V508 WeakPolarHBondContact O-CG2 3.19Å; F504-V508 PolarHBondContact O-N 3.31Å
505	A	97.2	Very high	95.5	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-57.2	-42.4	175.7	0	0	0	0	0	112	M345 Y370 I501 E502 V509 F534	M345-A505 HydrophobicContact CE-CB 4.3Å; M345-A505 HydrophobicContact SD-CB 3.95Å; Y370-A505 HydrophobicContact CD2-CB 4.33Å; Y370-A505 HydrophobicContact CE2-CB 4.09Å; I501-A505 WeakPolarHBondContact O-CB 2.79Å; I501-A505 PolarHBondContact O-N 3.17Å; E502-A505 PolarHBondContact O-N 3.19Å; A505-V509 WeakPolarHBondContact O-CB 3.47Å; A505-V509 VanDerWaalsContact O-CG2 3.3Å; A505-V509 WeakPolarHBondContact O-CG2 3.32Å; A505-V509 PolarHBondContact O-N 2.9Å; A505-F534 HydrophobicContact CB-CE1 4.2Å; A505-F534 HydrophobicContact CB-CZ 4Å
506	M	96	Very high	95.6	Very high	1 Å²	1	7.3 Å²	7.3	1%	0.005	4%	0.035	C	C	.	.	H	α-helix	trans	-61.7	-47.9	175.7	-177.2	-171.7	-69.7	0	0	111.7	F463 L464 L467 E502 I503 F504 V508 V509 I510 F534 C535 V538	F463-M506 HydrophobicContact CD1-CE 4.36Å; L464-M506 HydrophobicContact CB-SD 4.26Å; L464-M506 HydrophobicContact CD1-CB 4.44Å; L464-M506 HydrophobicContact CD1-CG 4.33Å; L464-M506 HydrophobicContact CD1-SD 4.01Å; L467-M506 HydrophobicContact CD1-CE 3.52Å; L467-M506 HydrophobicContact CD1-SD 3.89Å; E502-M506 WeakPolarHBondContact O-CB 3.3Å; E502-M506 PolarHBondContact O-N 2.91Å; I503-M506 PolarHBondContact O-N 3.11Å; F504-M506 VanDerWaalsContact C-N 3.3Å; F504-M506 PolarHBondContact O-N 3.41Å; M506-V508 VanDerWaalsContact C-N 3.31Å; M506-V508 PolarHBondContact O-N 2.95Å; M506-V509 PolarHBondContact O-N 3.39Å; M506-I510 HydrophobicContact CG-CD1 3.8Å; M506-I510 HydrophobicContact CG-CG1 4.43Å; M506-I510 VanDerWaalsContact O-CG1 3.28Å; M506-I510 WeakPolarHBondContact O-CG1 3.39Å; M506-I510 PolarHBondContact O-N 3.39Å; M506-I510 HydrophobicContact SD-CD1 4.31Å; M506-F534 HydrophobicContact CB-CE1 4.48Å; M506-C535 HydrophobicContact CE-CB 4.3Å; M506-C535 WeakPolarHBondContact CE-O 3.23Å; M506-V538 HydrophobicContact CB-CG1 4.36Å; M506-V538 HydrophobicContact CE-CB 3.56Å; M506-V538 HydrophobicContact CE-CG1 3.45Å; M506-V538 VanDerWaalsContact CE-CG1 3.45Å
507	A	96	Very high	95.7	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-59.3	-44.4	-179	0	0	0	0	0	111.7	F40 I54 L464 I503 F504 I510 S511	F40-A507 HydrophobicContact CE1-CB 3.9Å; F40-A507 HydrophobicContact CE2-CB 4.12Å; F40-A507 HydrophobicContact CZ-CB 3.6Å; I54-A507 HydrophobicContact CD1-CB 3.77Å; L464-A507 HydrophobicContact CD1-CB 4.15Å; L464-A507 HydrophobicContact CD2-CB 3.75Å; I503-A507 WeakPolarHBondContact O-CB 3.3Å; I503-A507 PolarHBondContact O-N 3.42Å; F504-A507 PolarHBondContact O-N 3.01Å; A507-I510 PolarHBondContact O-N 3.47Å; A507-S511 PolarHBondContact O-N 3.46Å
508	V	96.9	Very high	95.6	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-66.7	-43.2	178.8	172.6	0	0	0	0	112.3	F57 S344 M345 M348 F504 M506 I510 S511 R512	F57-V508 HydrophobicContact CE2-CG1 3.97Å; S344-V508 VanDerWaalsContact C-CG1 3.4Å; S344-V508 VanDerWaalsContact O-CG1 3.3Å; S344-V508 WeakPolarHBondContact O-CG1 3.16Å; M345-V508 HydrophobicContact CG-CG1 4.37Å; M348-V508 HydrophobicContact CB-CG1 3.74Å; M348-V508 HydrophobicContact CB-CG2 4.04Å; M348-V508 HydrophobicContact CE-CB 4.37Å; M348-V508 HydrophobicContact CE-CG1 4.08Å; M348-V508 HydrophobicContact CE-CG2 4.05Å; M348-V508 HydrophobicContact CG-CG1 4.26Å; M348-V508 HydrophobicContact CG-CG2 3.72Å; F504-V508 HydrophobicContact CD2-CG2 3.94Å; F504-V508 HydrophobicContact CE1-CG2 4.27Å; F504-V508 HydrophobicContact CE2-CG2 3.54Å; F504-V508 HydrophobicContact CG-CG2 4.48Å; F504-V508 HydrophobicContact CZ-CG2 3.71Å; F504-V508 VanDerWaalsContact O-CG2 3.32Å; F504-V508 WeakPolarHBondContact O-CG2 3.19Å; F504-V508 PolarHBondContact O-N 3.31Å; M506-V508 VanDerWaalsContact C-N 3.31Å; M506-V508 PolarHBondContact O-N 2.95Å; V508-I510 VanDerWaalsContact C-N 3.34Å; V508-I510 PolarHBondContact O-N 3.16Å; V508-S511 WeakPolarHBondContact O-CB 3.45Å; V508-S511 PolarHBondContact O-N 3.04Å; V508-R512 PolarHBondContact O-N 3.42Å
509	V	96.6	Very high	95.4	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-61.8	-40.8	175.2	160.3	0	0	0	0	111.7	Y340 A341 A505 M506 A513 C531 F534	Y340-V509 HydrophobicContact CD1-CG1 4.25Å; Y340-V509 HydrophobicContact CD1-CG2 4.14Å; Y340-V509 HydrophobicContact CE1-CG1 4.02Å; Y340-V509 HydrophobicContact CE1-CG2 4.39Å; A341-V509 HydrophobicContact CB-CG2 3.83Å; A505-V509 WeakPolarHBondContact O-CB 3.47Å; A505-V509 VanDerWaalsContact O-CG2 3.3Å; A505-V509 WeakPolarHBondContact O-CG2 3.32Å; A505-V509 PolarHBondContact O-N 2.9Å; M506-V509 PolarHBondContact O-N 3.39Å; V509-A513 WeakPolarHBondContact O-CB 3.4Å; V509-A513 PolarHBondContact O-N 3.4Å; V509-A513 VanDerWaalsContact O-N 3.08Å; V509-C531 HydrophobicContact CG1-CB 3.94Å; V509-F534 HydrophobicContact CB-CD1 4.01Å; V509-F534 HydrophobicContact CB-CE1 4.31Å; V509-F534 HydrophobicContact CG1-CB 4.15Å; V509-F534 HydrophobicContact CG1-CD1 3.86Å; V509-F534 HydrophobicContact CG1-CG 4.14Å; V509-F534 HydrophobicContact CG2-CD1 3.95Å; V509-F534 HydrophobicContact CG2-CE1 3.96Å; V509-F534 HydrophobicContact CG2-CG 4.36Å; V509-F534 HydrophobicContact CG2-CZ 4.38Å
510	I	95.8	Very high	95.3	Very high	14 Å²	14	23 Å²	23	7%	0.072	11%	0.114	C	C	.	.	H	α-helix	trans	-62.9	-44.9	174.7	-69.2	166.6	0	0	0	110.3	F55 L464 M506 A507 V508 A513 K514	F55-I510 HydrophobicContact CE1-CG2 4.28Å; F55-I510 HydrophobicContact CZ-CB 4.46Å; F55-I510 HydrophobicContact CZ-CG2 3.94Å; L464-I510 HydrophobicContact CB-CD1 4.23Å; L464-I510 HydrophobicContact CD2-CD1 4.19Å; M506-I510 HydrophobicContact CG-CD1 3.8Å; M506-I510 HydrophobicContact CG-CG1 4.43Å; M506-I510 VanDerWaalsContact O-CG1 3.28Å; M506-I510 WeakPolarHBondContact O-CG1 3.39Å; M506-I510 PolarHBondContact O-N 3.39Å; M506-I510 HydrophobicContact SD-CD1 4.31Å; A507-I510 PolarHBondContact O-N 3.47Å; V508-I510 VanDerWaalsContact C-N 3.34Å; V508-I510 PolarHBondContact O-N 3.16Å; I510-A513 PolarHBondContact O-N 3Å; I510-K514 WeakPolarHBondContact O-CB 3.36Å; I510-K514 PolarHBondContact O-N 3.46Å
511	S	95.7	Very high	95.1	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.007	13%	0.125	C	C	.	.	H	α-helix	trans	-59.9	-48.3	179.5	-173.4	0	0	0	0	112.5	I54 F57 A507 V508 A513 K514 L515	I54-S511 WeakPolarHBondContact O-CB 3.03Å; I54-S511 PolarHBondContact O-OG 3.16Å; F57-S511 WeakPolarHBondContact CA-OG 3.19Å; F57-S511 WeakPolarHBondContact CB-OG 3.49Å; F57-S511 PolarHBondContact N-OG 2.89Å; A507-S511 PolarHBondContact O-N 3.46Å; V508-S511 WeakPolarHBondContact O-CB 3.45Å; V508-S511 PolarHBondContact O-N 3.04Å; S511-A513 PolarHBondContact O-N 3.4Å; S511-K514 PolarHBondContact O-N 2.86Å; S511-L515 PolarHBondContact O-N 2.91Å
512	R	95.5	Very high	94.8	Very high	33 Å²	33	32.4 Å²	32.4	13%	0.125	17%	0.168	C	C	.	.	H	α-helix	trans	-61.2	-47.4	177.4	-174.7	-178.1	169	168.9	4.1	112.5	F57 Y340 E343 S344 V508 K514 L515 S516 E527	F57-R512 HydrophobicContact CD1-CB 4.26Å; F57-R512 HydrophobicContact CD1-CG 4.21Å; F57-R512 HydrophobicContact CD2-CB 3.64Å; F57-R512 HydrophobicContact CD2-CG 4.4Å; F57-R512 HydrophobicContact CE1-CB 4.35Å; F57-R512 HydrophobicContact CE1-CG 4.09Å; F57-R512 HydrophobicContact CE2-CB 3.76Å; F57-R512 HydrophobicContact CE2-CG 4.31Å; F57-R512 HydrophobicContact CG-CB 3.92Å; F57-R512 HydrophobicContact CG-CG 4.37Å; F57-R512 HydrophobicContact CZ-CB 4.11Å; F57-R512 HydrophobicContact CZ-CG 4.15Å; Y340-R512 VanDerWaalsContact CE2-CZ 3.4Å; Y340-R512 VanDerWaalsContact CE2-NE 3.34Å; Y340-R512 WeakPolarHBondContact OH-CD 3.38Å; Y340-R512 WeakPolarHBondContact OH-CG 3.35Å; E343-R512 IonicContact OE2-CZ 3.54Å; E343-R512 IonicContact OE2-NH1 3.58Å; E343-R512 PolarHBondContact OE2-NH1 3.07Å; E343-R512 IonicContact OE2-NH2 2.74Å; E343-R512 PolarHBondContact OE2-NH2 3.37Å; S344-R512 WeakPolarHBondContact OG-CD 3.47Å; S344-R512 PolarHBondContact OG-NH1 3.04Å; S344-R512 VanDerWaalsContact OG-NH1 3.11Å; V508-R512 PolarHBondContact O-N 3.42Å; R512-K514 VanDerWaalsContact C-N 3.3Å; R512-K514 PolarHBondContact O-N 3.48Å; R512-L515 PolarHBondContact O-N 2.81Å; R512-S516 PolarHBondContact O-N 3Å; R512-E527 IonicContact NE-OE2 2.83Å; R512-E527 PolarHBondContact NE-OE2 2.92Å
513	A	95.5	Very high	94.7	Very high	2 Å²	2	33.6 Å²	33.6	2%	0.017	18%	0.179	C	C	.	.	H	α-helix	trans	-64.6	-36.2	-179	0	0	0	0	0	112	V509 I510 S511 S516 L517 C531	V509-A513 WeakPolarHBondContact O-CB 3.4Å; V509-A513 PolarHBondContact O-N 3.4Å; V509-A513 VanDerWaalsContact O-N 3.08Å; I510-A513 PolarHBondContact O-N 3Å; S511-A513 PolarHBondContact O-N 3.4Å; A513-S516 PolarHBondContact O-N 2.96Å; A513-L517 WeakPolarHBondContact O-CG 3.41Å; A513-L517 PolarHBondContact O-N 3.35Å; A513-L517 VanDerWaalsContact O-N 3.1Å; A513-C531 HydrophobicContact CB-CB 3.57Å
514	K	93.8	Very high	94.6	Very high	26 Å²	26	34 Å²	34	11%	0.113	18%	0.183	C	C	.	.	H	α-helix	trans	-61.8	-51	172.9	174.6	-179.5	163.1	70.6	0	111.2	M1 F5 F55 I510 S511 R512 S516 L517 E518	M1-K514 HydrophobicContact SD-CB 4.35Å; F5-K514 VanDerWaalsContact CD2-NZ 3.32Å; F5-K514 HydrophobicContact CE1-CD 4.42Å; F5-K514 HydrophobicContact CE2-CD 3.59Å; F5-K514 VanDerWaalsContact CE2-CE 3.43Å; F5-K514 HydrophobicContact CZ-CD 3.47Å; F5-K514 VanDerWaalsContact CZ-CD 3.47Å; F55-K514 HydrophobicContact CD1-CD 3.98Å; F55-K514 HydrophobicContact CE1-CD 3.93Å; I510-K514 WeakPolarHBondContact O-CB 3.36Å; I510-K514 PolarHBondContact O-N 3.46Å; S511-K514 PolarHBondContact O-N 2.86Å; R512-K514 VanDerWaalsContact C-N 3.3Å; R512-K514 PolarHBondContact O-N 3.48Å; K514-S516 VanDerWaalsContact C-N 3.25Å; K514-S516 PolarHBondContact O-N 3.23Å; K514-L517 WeakPolarHBondContact O-CB 3.38Å; K514-L517 PolarHBondContact O-N 3.28Å; K514-L517 VanDerWaalsContact O-N 3.12Å; K514-E518 WeakPolarHBondContact CE-OE1 3.23Å; K514-E518 HydrophobicContact CG-CG 4.38Å; K514-E518 IonicContact NZ-OE1 3.48Å; K514-E518 PolarHBondContact NZ-OE1 3.06Å; K514-E518 WeakPolarHBondContact O-CG 3.33Å; K514-E518 PolarHBondContact O-N 3.39Å
515	L	94	Very high	94.5	Very high	6 Å²	6	39.5 Å²	39.5	3%	0.031	21%	0.212	C	C	.	.	H	α-helix	trans	-57.5	-41.3	177.3	178.5	71.6	0	0	0	111.4	F57 Q59 S511 R512 L517 E518 L519	F57-L515 HydrophobicContact CB-CB 4Å; F57-L515 HydrophobicContact CB-CD2 3.91Å; F57-L515 HydrophobicContact CD1-CD2 4.01Å; F57-L515 HydrophobicContact CG-CD2 4.45Å; Q59-L515 HydrophobicContact CG-CD1 4.28Å; Q59-L515 HydrophobicContact CG-CD2 3.95Å; S511-L515 PolarHBondContact O-N 2.91Å; R512-L515 PolarHBondContact O-N 2.81Å; L515-L517 VanDerWaalsContact C-N 3.32Å; L515-L517 PolarHBondContact O-N 3.1Å; L515-E518 PolarHBondContact O-N 2.76Å; L515-L519 HydrophobicContact CD1-CD1 3.79Å; L515-L519 HydrophobicContact CD1-CG 4.04Å; L515-L519 HydrophobicContact CD2-CD1 4.42Å; L515-L519 HydrophobicContact CG-CD1 3.88Å; L515-L519 HydrophobicContact CG-CG 4.38Å; L515-L519 WeakPolarHBondContact O-CB 3.34Å; L515-L519 WeakPolarHBondContact O-CG 3.02Å; L515-L519 PolarHBondContact O-N 2.91Å
516	S	93.7	Very high	94.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-61.5	-39.8	178.4	-167.3	0	0	0	0	112.4	R512 A513 K514 N520 R521 A524 E527	R512-S516 PolarHBondContact O-N 3Å; A513-S516 PolarHBondContact O-N 2.96Å; K514-S516 VanDerWaalsContact C-N 3.25Å; K514-S516 PolarHBondContact O-N 3.23Å; S516-N520 PolarHBondContact O-N 3.36Å; S516-R521 PolarHBondContact O-N 3.38Å; S516-A524 WeakPolarHBondContact O-CB 3.38Å; S516-A524 WeakPolarHBondContact OG-CA 3.24Å; S516-E527 WeakPolarHBondContact CB-OE1 3.48Å; S516-E527 VanDerWaalsContact OG-CD 3.28Å; S516-E527 PolarHBondContact OG-OE1 3.19Å
517	L	94.4	Very high	94.3	Very high	47 Å²	47	46.2 Å²	46.2	25%	0.246	24%	0.239	C	C	.	.	H	α-helix	trans	-68	-44.4	174.2	-72.4	163.8	0	0	0	112.5	M1 A513 K514 L515 L519 N520 A524 K528	M1-L517 HydrophobicContact CE-CD1 3.68Å; A513-L517 WeakPolarHBondContact O-CG 3.41Å; A513-L517 PolarHBondContact O-N 3.35Å; A513-L517 VanDerWaalsContact O-N 3.1Å; K514-L517 WeakPolarHBondContact O-CB 3.38Å; K514-L517 PolarHBondContact O-N 3.28Å; K514-L517 VanDerWaalsContact O-N 3.12Å; L515-L517 VanDerWaalsContact C-N 3.32Å; L515-L517 PolarHBondContact O-N 3.1Å; L517-L519 VanDerWaalsContact C-N 3.3Å; L517-L519 PolarHBondContact O-N 3.03Å; L517-N520 PolarHBondContact O-N 3.29Å; L517-N520 VanDerWaalsContact O-N 3.1Å; L517-N520 PolarHBondContact O-OD1 3.11Å; L517-A524 HydrophobicContact CD2-CB 4.04Å; L517-A524 HydrophobicContact CG-CB 4.44Å; L517-K528 HydrophobicContact CD1-CB 4.31Å; L517-K528 HydrophobicContact CD1-CD 4.35Å; L517-K528 HydrophobicContact CD1-CG 4.4Å; L517-K528 HydrophobicContact CD2-CB 4.37Å; L517-K528 HydrophobicContact CD2-CD 4.2Å
518	E	94.2	Very high	94.2	Very high	102 Å²	102	50 Å²	50	48%	0.477	26%	0.255	S	S	.	.	H	α-helix	trans	-63.5	-36.6	179.7	-73.3	173	167.3	0	0	112.3	K514 L515 N520	K514-E518 WeakPolarHBondContact CE-OE1 3.23Å; K514-E518 HydrophobicContact CG-CG 4.38Å; K514-E518 IonicContact NZ-OE1 3.48Å; K514-E518 PolarHBondContact NZ-OE1 3.06Å; K514-E518 WeakPolarHBondContact O-CG 3.33Å; K514-E518 PolarHBondContact O-N 3.39Å; L515-E518 PolarHBondContact O-N 2.76Å; E518-N520 VanDerWaalsContact C-N 3.28Å; E518-N520 PolarHBondContact O-N 2.93Å
519	L	92.3	Very high	94.2	Very high	79 Å²	79	54.6 Å²	54.6	41%	0.414	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	4.9	176.6	-64.1	179.4	0	0	0	113.6	L515 L517 R521	L515-L519 HydrophobicContact CD1-CD1 3.79Å; L515-L519 HydrophobicContact CD1-CG 4.04Å; L515-L519 HydrophobicContact CD2-CD1 4.42Å; L515-L519 HydrophobicContact CG-CD1 3.88Å; L515-L519 HydrophobicContact CG-CG 4.38Å; L515-L519 WeakPolarHBondContact O-CB 3.34Å; L515-L519 WeakPolarHBondContact O-CG 3.02Å; L515-L519 PolarHBondContact O-N 2.91Å; L517-L519 VanDerWaalsContact C-N 3.3Å; L517-L519 PolarHBondContact O-N 3.03Å; L519-R521 HydrophobicContact CB-CG 4.04Å; L519-R521 PolarHBondContact O-N 3.46Å; L519-R521 VanDerWaalsContact O-N 3.13Å
520	N	93.3	Very high	94.1	Very high	142 Å²	142	55.2 Å²	55.2	76%	0.759	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.8	42.2	-177.4	-65.9	-56.9	0	0	0	113.4	S516 L517 E518	S516-N520 PolarHBondContact O-N 3.36Å; L517-N520 PolarHBondContact O-N 3.29Å; L517-N520 VanDerWaalsContact O-N 3.1Å; L517-N520 PolarHBondContact O-OD1 3.11Å; E518-N520 VanDerWaalsContact C-N 3.28Å; E518-N520 PolarHBondContact O-N 2.93Å
521	R	90.9	Very high	94.1	Very high	61 Å²	61	55 Å²	55	23%	0.23	28%	0.283	C	S	.	.			trans	-63.9	149.1	-178.7	-65	-176.5	178.5	163.1	-2	110.2	S516 L519 S523 A524	S516-R521 PolarHBondContact O-N 3.38Å; L519-R521 HydrophobicContact CB-CG 4.04Å; L519-R521 PolarHBondContact O-N 3.46Å; L519-R521 VanDerWaalsContact O-N 3.13Å; R521-S523 PolarHBondContact O-N 2.97Å; R521-A524 WeakPolarHBondContact O-CB 3.49Å; R521-A524 PolarHBondContact O-N 3.3Å
522	P	92.1	Very high	94	Very high	143 Å²	143	57 Å²	57	93%	0.929	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-30.8	175.4	-26.7	34.8	0	0	0	113.4	A524	P522-A524 VanDerWaalsContact C-N 3.35Å
523	S	91.6	Very high	94	Very high	48 Å²	48	59.3 Å²	59.3	34%	0.336	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-3.7	176.9	54.3	0	0	0	0	114.5	R521 N525 Y526 E527	R521-S523 PolarHBondContact O-N 2.97Å; S523-N525 PolarHBondContact O-N 3.44Å; S523-Y526 WeakPolarHBondContact O-CA 3.43Å; S523-Y526 WeakPolarHBondContact O-CB 3.43Å; S523-Y526 PolarHBondContact O-N 2.91Å; S523-E527 WeakPolarHBondContact CB-OE1 3.27Å; S523-E527 WeakPolarHBondContact O-CG 3.26Å; S523-E527 PolarHBondContact O-N 2.82Å; S523-E527 PolarHBondContact OG-OE1 3.44Å
524	A	93.6	Very high	94	Very high	9 Å²	9	59.5 Å²	59.5	7%	0.074	31%	0.307	C	S	.	.	H	α-helix	trans	-59.4	-41.4	-167	0	0	0	0	0	113.7	S516 L517 R521 P522 K528	S516-A524 WeakPolarHBondContact O-CB 3.38Å; S516-A524 WeakPolarHBondContact OG-CA 3.24Å; L517-A524 HydrophobicContact CD2-CB 4.04Å; L517-A524 HydrophobicContact CG-CB 4.44Å; R521-A524 WeakPolarHBondContact O-CB 3.49Å; R521-A524 PolarHBondContact O-N 3.3Å; P522-A524 VanDerWaalsContact C-N 3.35Å; A524-K528 VanDerWaalsContact O-CB 3.24Å; A524-K528 WeakPolarHBondContact O-CB 3.08Å; A524-K528 PolarHBondContact O-N 2.86Å
525	N	94.7	Very high	94	Very high	115 Å²	115	58.6 Å²	58.6	62%	0.615	30%	0.304	S	S	*	.	H	α-helix	trans	-67	-37.9	176.6	-78.6	-35.9	0	0	0	112.3	S523 N529	S523-N525 PolarHBondContact O-N 3.44Å; N525-N529 PolarHBondContact O-N 2.81Å; N525-N529 VanDerWaalsContact O-N 3.07Å; N525-N529 PolarHBondContact O-ND2 2.81Å
526	Y	94	Very high	93.8	Very high	134 Å²	134	66.2 Å²	66.2	53%	0.525	33%	0.332	S	S	.	.	H	α-helix	trans	-68	-46.5	176.4	179.3	-108.2	0	0	0	111.5	S523 K528 N529 L530	S523-Y526 WeakPolarHBondContact O-CA 3.43Å; S523-Y526 WeakPolarHBondContact O-CB 3.43Å; S523-Y526 PolarHBondContact O-N 2.91Å; Y526-K528 VanDerWaalsContact C-N 3.32Å; Y526-K528 PolarHBondContact O-N 3.22Å; Y526-N529 WeakPolarHBondContact O-CB 3.4Å; Y526-N529 PolarHBondContact O-N 2.77Å; Y526-L530 HydrophobicContact CD1-CD1 3.9Å; Y526-L530 HydrophobicContact CD1-CG 4.35Å; Y526-L530 HydrophobicContact CE1-CD1 3.41Å; Y526-L530 VanDerWaalsContact CE1-CD1 3.41Å; Y526-L530 HydrophobicContact CE1-CD2 4.49Å; Y526-L530 HydrophobicContact CE1-CG 3.98Å; Y526-L530 HydrophobicContact CE2-CG 4.49Å; Y526-L530 PolarHBondContact O-N 3.1Å
527	E	95.4	Very high	93.7	Very high	9 Å²	9	70 Å²	70	4%	0.042	35%	0.348	C	S	.	.	H	α-helix	trans	-62.4	-38.5	176.1	-72	-172.9	-106.3	0	0	112.1	Y340 R512 S516 S523 N529 L530 C531	Y340-E527 HydrophobicContact CE2-CB 4.4Å; Y340-E527 HydrophobicContact CE2-CG 3.77Å; Y340-E527 WeakPolarHBondContact CE2-OE2 3.35Å; Y340-E527 PolarHBondContact OH-OE2 2.86Å; R512-E527 IonicContact NE-OE2 2.83Å; R512-E527 PolarHBondContact NE-OE2 2.92Å; S516-E527 WeakPolarHBondContact CB-OE1 3.48Å; S516-E527 VanDerWaalsContact OG-CD 3.28Å; S516-E527 PolarHBondContact OG-OE1 3.19Å; S523-E527 WeakPolarHBondContact CB-OE1 3.27Å; S523-E527 WeakPolarHBondContact O-CG 3.26Å; S523-E527 PolarHBondContact O-N 2.82Å; S523-E527 PolarHBondContact OG-OE1 3.44Å; E527-N529 PolarHBondContact O-N 2.74Å; E527-L530 PolarHBondContact O-N 3.11Å; E527-C531 VanDerWaalsContact O-CB 3.29Å; E527-C531 WeakPolarHBondContact O-CB 3.27Å; E527-C531 PolarHBondContact O-N 3.21Å
528	K	95.1	Very high	93.5	Very high	79 Å²	79	67.9 Å²	67.9	34%	0.343	34%	0.337	S	S	.	.	H	α-helix	trans	-56.7	-49.8	169.9	177.1	-177.6	175.7	-175.8	0	110.3	L517 A524 Y526 C531 Q532	L517-K528 HydrophobicContact CD1-CB 4.31Å; L517-K528 HydrophobicContact CD1-CD 4.35Å; L517-K528 HydrophobicContact CD1-CG 4.4Å; L517-K528 HydrophobicContact CD2-CB 4.37Å; L517-K528 HydrophobicContact CD2-CD 4.2Å; A524-K528 VanDerWaalsContact O-CB 3.24Å; A524-K528 WeakPolarHBondContact O-CB 3.08Å; A524-K528 PolarHBondContact O-N 2.86Å; Y526-K528 VanDerWaalsContact C-N 3.32Å; Y526-K528 PolarHBondContact O-N 3.22Å; K528-C531 WeakPolarHBondContact O-CB 3.46Å; K528-C531 PolarHBondContact O-N 2.04Å; K528-Q532 WeakPolarHBondContact O-CG 3.35Å; K528-Q532 PolarHBondContact O-N 2.71Å
529	N	95.3	Very high	93.1	Very high	96 Å²	96	63.8 Å²	63.8	51%	0.513	32%	0.32	S	S	.	.	H	α-helix	trans	-63.7	-41.7	179.8	-69.8	-18.8	0	0	0	112.6	N525 Y526 E527 Q532 L533	N525-N529 PolarHBondContact O-N 2.81Å; N525-N529 VanDerWaalsContact O-N 3.07Å; N525-N529 PolarHBondContact O-ND2 2.81Å; Y526-N529 WeakPolarHBondContact O-CB 3.4Å; Y526-N529 PolarHBondContact O-N 2.77Å; E527-N529 PolarHBondContact O-N 2.74Å; N529-Q532 PolarHBondContact O-N 3.09Å; N529-L533 PolarHBondContact O-N 2.81Å
530	L	95	Very high	92.8	Very high	14 Å²	14	68 Å²	68	7%	0.073	34%	0.335	C	S	.	.	H	α-helix	trans	-58	-49.7	173.1	-73.4	178.9	0	0	0	111.5	V336 L337 Y340 Y526 E527 Q532 L533 F534	V336-L530 HydrophobicContact CG1-CD1 4.25Å; V336-L530 HydrophobicContact CG1-CD2 3.89Å; L337-L530 HydrophobicContact CD2-CB 4.43Å; L337-L530 HydrophobicContact CD2-CD2 3.95Å; L337-L530 WeakPolarHBondContact CD2-O 3.41Å; L337-L530 HydrophobicContact CG-CD2 4.5Å; Y340-L530 HydrophobicContact CD2-CD1 3.91Å; Y340-L530 HydrophobicContact CE2-CD1 4.38Å; Y340-L530 HydrophobicContact CG-CD1 4.02Å; Y526-L530 HydrophobicContact CD1-CD1 3.9Å; Y526-L530 HydrophobicContact CD1-CG 4.35Å; Y526-L530 HydrophobicContact CE1-CD1 3.41Å; Y526-L530 VanDerWaalsContact CE1-CD1 3.41Å; Y526-L530 HydrophobicContact CE1-CD2 4.49Å; Y526-L530 HydrophobicContact CE1-CG 3.98Å; Y526-L530 HydrophobicContact CE2-CG 4.49Å; Y526-L530 PolarHBondContact O-N 3.1Å; E527-L530 PolarHBondContact O-N 3.11Å; L530-Q532 VanDerWaalsContact C-N 3.29Å; L530-Q532 PolarHBondContact O-N 3.39Å; L530-L533 PolarHBondContact O-N 2.69Å; L530-F534 VanDerWaalsContact O-CB 3.26Å; L530-F534 WeakPolarHBondContact O-CB 3.45Å; L530-F534 PolarHBondContact O-N 2.92Å
531	C	95.6	Very high	92.4	Very high	10 Å²	10	64.1 Å²	64.1	7%	0.068	31%	0.314	C	S	.	.	H	α-helix	trans	-57	-43.2	177.2	173.8	0	0	0	0	111.6	V509 A513 E527 K528 F534 C535	V509-C531 HydrophobicContact CG1-CB 3.94Å; A513-C531 HydrophobicContact CB-CB 3.57Å; E527-C531 VanDerWaalsContact O-CB 3.29Å; E527-C531 WeakPolarHBondContact O-CB 3.27Å; E527-C531 PolarHBondContact O-N 3.21Å; K528-C531 WeakPolarHBondContact O-CB 3.46Å; K528-C531 PolarHBondContact O-N 2.04Å; C531-F534 PolarHBondContact O-N 2.88Å; C531-C535 WeakPolarHBondContact O-CB 3.21Å; C531-C535 PolarHBondContact O-N 2.89Å; C531-C535 PolarHBondContact O-SG 3.39Å
532	Q	94.3	Very high	92.1	Very high	41 Å²	41	61.3 Å²	61.3	19%	0.192	30%	0.304	C	S	.	.	H	α-helix	trans	-63.9	-43.7	179.3	-68.3	-176.9	18.7	0	0	112.9	K528 N529 L530 R536	K528-Q532 WeakPolarHBondContact O-CG 3.35Å; K528-Q532 PolarHBondContact O-N 2.71Å; N529-Q532 PolarHBondContact O-N 3.09Å; L530-Q532 VanDerWaalsContact C-N 3.29Å; L530-Q532 PolarHBondContact O-N 3.39Å; Q532-R536 WeakPolarHBondContact O-CG 3.43Å; Q532-R536 PolarHBondContact O-N 2.93Å
533	L	94.7	Very high	91.6	Very high	83 Å²	83	58.2 Å²	58.2	44%	0.435	27%	0.274	S	S	.	.	H	α-helix	trans	-69	-43	178	-179.1	57.7	0	0	0	111	L337 N529 L530 C535 R536 K537	L337-L533 HydrophobicContact CD1-CD2 3.74Å; L337-L533 HydrophobicContact CD1-CG 3.8Å; L337-L533 HydrophobicContact CD2-CB 4.23Å; L337-L533 HydrophobicContact CD2-CD2 4.32Å; L337-L533 HydrophobicContact CD2-CG 4.26Å; L337-L533 HydrophobicContact CG-CD2 4.39Å; N529-L533 PolarHBondContact O-N 2.81Å; L530-L533 PolarHBondContact O-N 2.69Å; L533-C535 PolarHBondContact O-N 2.96Å; L533-R536 PolarHBondContact O-N 2.8Å; L533-K537 PolarHBondContact O-N 2.88Å
534	F	95.3	Very high	91	Very high	6 Å²	6	58 Å²	58	3%	0.026	28%	0.279	C	S	.	.	H	α-helix	trans	-56.8	-50.2	175.1	-169.4	-96.6	0	0	0	111.3	L337 A341 Y370 A505 M506 V509 L530 C531 R536 K537 V538	L337-F534 HydrophobicContact CB-CD2 4.34Å; L337-F534 HydrophobicContact CD2-CB 3.98Å; L337-F534 HydrophobicContact CD2-CD2 4.39Å; A341-F534 HydrophobicContact CB-CD2 4.33Å; A341-F534 HydrophobicContact CB-CE1 4.45Å; A341-F534 HydrophobicContact CB-CE2 3.52Å; A341-F534 HydrophobicContact CB-CZ 3.6Å; Y370-F534 VanDerWaalsContact OH-CE2 3.29Å; Y370-F534 WeakPolarHBondContact OH-CE2 3.41Å; A505-F534 HydrophobicContact CB-CE1 4.2Å; A505-F534 HydrophobicContact CB-CZ 4Å; M506-F534 HydrophobicContact CB-CE1 4.48Å; V509-F534 HydrophobicContact CB-CD1 4.01Å; V509-F534 HydrophobicContact CB-CE1 4.31Å; V509-F534 HydrophobicContact CG1-CB 4.15Å; V509-F534 HydrophobicContact CG1-CD1 3.86Å; V509-F534 HydrophobicContact CG1-CG 4.14Å; V509-F534 HydrophobicContact CG2-CD1 3.95Å; V509-F534 HydrophobicContact CG2-CE1 3.96Å; V509-F534 HydrophobicContact CG2-CG 4.36Å; V509-F534 HydrophobicContact CG2-CZ 4.38Å; L530-F534 VanDerWaalsContact O-CB 3.26Å; L530-F534 WeakPolarHBondContact O-CB 3.45Å; L530-F534 PolarHBondContact O-N 2.92Å; C531-F534 PolarHBondContact O-N 2.88Å; F534-R536 VanDerWaalsContact C-N 3.3Å; F534-R536 PolarHBondContact O-N 3.3Å; F534-K537 PolarHBondContact O-N 3.46Å; F534-K537 VanDerWaalsContact O-N 3.13Å; F534-V538 HydrophobicContact CD1-CG2 3.84Å; F534-V538 HydrophobicContact CE1-CG2 3.41Å; F534-V538 VanDerWaalsContact CE1-CG2 3.41Å; F534-V538 HydrophobicContact CE2-CG2 4.38Å; F534-V538 HydrophobicContact CG-CG2 4.48Å; F534-V538 HydrophobicContact CZ-CG2 3.72Å; F534-V538 WeakPolarHBondContact O-CG2 3.48Å; F534-V538 PolarHBondContact O-N 2.67Å
535	C	93.9	Very high	90.4	Very high	7 Å²	7	59.5 Å²	59.5	5%	0.047	28%	0.284	C	S	.	.	H	α-helix	trans	-58.4	-43.5	-179.9	-69.2	0	0	0	0	111.4	M506 C531 L533 V538 S539	M506-C535 HydrophobicContact CE-CB 4.3Å; M506-C535 WeakPolarHBondContact CE-O 3.23Å; C531-C535 WeakPolarHBondContact O-CB 3.21Å; C531-C535 PolarHBondContact O-N 2.89Å; C531-C535 PolarHBondContact O-SG 3.39Å; L533-C535 PolarHBondContact O-N 2.96Å; C535-V538 PolarHBondContact O-N 2.82Å; C535-S539 WeakPolarHBondContact O-CB 3.33Å; C535-S539 PolarHBondContact O-N 3.04Å; C535-S539 PolarHBondContact O-OG 3.45Å
536	R	91.3	Very high	89.6	Confident	166 Å²	166	54.5 Å²	54.5	63%	0.626	26%	0.257	S	S	*	.	H	α-helix	trans	-61	-44.8	177	-75.3	176.3	174.4	172.9	-0.8	112	Q532 L533 F534 S539 F540	Q532-R536 WeakPolarHBondContact O-CG 3.43Å; Q532-R536 PolarHBondContact O-N 2.93Å; L533-R536 PolarHBondContact O-N 2.8Å; F534-R536 VanDerWaalsContact C-N 3.3Å; F534-R536 PolarHBondContact O-N 3.3Å; R536-S539 WeakPolarHBondContact O-CB 3.4Å; R536-S539 PolarHBondContact O-N 2.77Å; R536-F540 PolarHBondContact O-N 3.12Å; R536-F540 VanDerWaalsContact O-N 3.16Å
537	K	90.4	Very high	88.8	Confident	79 Å²	79	53.9 Å²	53.9	34%	0.343	26%	0.263	S	S	.	.	H	α-helix	trans	-63.3	-47.5	179.1	-174.6	170.8	-178	170	0	111.7	L533 F534 S539 F540 L541	L533-K537 PolarHBondContact O-N 2.88Å; F534-K537 PolarHBondContact O-N 3.46Å; F534-K537 VanDerWaalsContact O-N 3.13Å; K537-S539 VanDerWaalsContact C-N 3.32Å; K537-S539 PolarHBondContact O-N 3.38Å; K537-F540 PolarHBondContact O-N 3.35Å; K537-L541 HydrophobicContact CG-CD1 4.18Å; K537-L541 WeakPolarHBondContact O-CG 3.29Å; K537-L541 PolarHBondContact O-N 3.27Å
538	V	89.6	Confident	87.8	Confident	2 Å²	2	55 Å²	55	1%	0.012	27%	0.272	C	S	.	.	H	α-helix	trans	-61.5	-42.4	177.3	172.1	0	0	0	0	111.3	E502 M506 F534 C535 F540 L541 F542	E502-V538 HydrophobicContact CB-CG1 3.77Å; E502-V538 WeakPolarHBondContact OE2-CG2 3.16Å; M506-V538 HydrophobicContact CB-CG1 4.36Å; M506-V538 HydrophobicContact CE-CB 3.56Å; M506-V538 HydrophobicContact CE-CG1 3.45Å; M506-V538 VanDerWaalsContact CE-CG1 3.45Å; F534-V538 HydrophobicContact CD1-CG2 3.84Å; F534-V538 HydrophobicContact CE1-CG2 3.41Å; F534-V538 VanDerWaalsContact CE1-CG2 3.41Å; F534-V538 HydrophobicContact CE2-CG2 4.38Å; F534-V538 HydrophobicContact CG-CG2 4.48Å; F534-V538 HydrophobicContact CZ-CG2 3.72Å; F534-V538 WeakPolarHBondContact O-CG2 3.48Å; F534-V538 PolarHBondContact O-N 2.67Å; C535-V538 PolarHBondContact O-N 2.82Å; V538-F540 VanDerWaalsContact C-N 3.29Å; V538-F540 PolarHBondContact O-N 3.3Å; V538-L541 PolarHBondContact O-N 2.93Å; V538-F542 VanDerWaalsContact O-CB 3.3Å; V538-F542 WeakPolarHBondContact O-CB 3.27Å; V538-F542 PolarHBondContact O-N 2.92Å
539	S	87.1	Confident	86.6	Confident	17 Å²	17	53.7 Å²	53.7	12%	0.119	27%	0.265	C	S	.	.	H	α-helix	trans	-54.1	-48.9	177.3	-53.7	0	0	0	0	111.2	F463 C535 R536 K537 F542 Y543	F463-S539 WeakPolarHBondContact CD1-OG 3.48Å; F463-S539 WeakPolarHBondContact CE1-OG 3.43Å; F463-S539 VanDerWaalsContact CZ-CB 3.49Å; F463-S539 WeakPolarHBondContact CZ-OG 3.47Å; C535-S539 WeakPolarHBondContact O-CB 3.33Å; C535-S539 PolarHBondContact O-N 3.04Å; C535-S539 PolarHBondContact O-OG 3.45Å; R536-S539 WeakPolarHBondContact O-CB 3.4Å; R536-S539 PolarHBondContact O-N 2.77Å; K537-S539 VanDerWaalsContact C-N 3.32Å; K537-S539 PolarHBondContact O-N 3.38Å; S539-F542 PolarHBondContact O-N 3.17Å; S539-Y543 WeakPolarHBondContact O-CD2 3.4Å; S539-Y543 PolarHBondContact O-N 3.18Å; S539-Y543 VanDerWaalsContact O-N 3.13Å
540	F	85.1	Confident	85.4	Confident	166 Å²	166	56.6 Å²	56.6	73%	0.728	27%	0.273	S	S	*	.	H	α-helix	trans	-62	-47.3	178.9	-178.7	-97.3	0	0	0	112.1	R536 K537 V538 F542 G544	R536-F540 PolarHBondContact O-N 3.12Å; R536-F540 VanDerWaalsContact O-N 3.16Å; K537-F540 PolarHBondContact O-N 3.35Å; V538-F540 VanDerWaalsContact C-N 3.29Å; V538-F540 PolarHBondContact O-N 3.3Å; F540-F542 PolarHBondContact O-N 3Å; F540-G544 PolarHBondContact O-N 3.38Å
541	L	85.3	Confident	84.4	Confident	62 Å²	62	58.1 Å²	58.1	33%	0.325	29%	0.285	S	S	.	.	H	α-helix	trans	-63.8	-41.1	178.6	-68.3	172.9	0	0	0	112.4	K537 V538 G544 K545	K537-L541 HydrophobicContact CG-CD1 4.18Å; K537-L541 WeakPolarHBondContact O-CG 3.29Å; K537-L541 PolarHBondContact O-N 3.27Å; V538-L541 PolarHBondContact O-N 2.93Å; L541-G544 PolarHBondContact O-N 2.96Å; L541-K545 WeakPolarHBondContact O-CG 3.34Å; L541-K545 PolarHBondContact O-N 3.5Å
542	F	85.3	Confident	83.4	Confident	1 Å²	1	59.5 Å²	59.5	0%	0.004	29%	0.292	C	S	.	.	H	α-helix	trans	-62.4	-48.3	179.3	178.7	-88.4	0	0	0	111.6	L467 M470 F471 A499 I503 V538 S539 F540 G544 K545 I546	L467-F542 HydrophobicContact CD2-CB 4.39Å; L467-F542 HydrophobicContact CD2-CD1 3.36Å; L467-F542 HydrophobicContact CD2-CE1 3.57Å; L467-F542 HydrophobicContact CD2-CG 3.85Å; L467-F542 HydrophobicContact CD2-CZ 4.26Å; M470-F542 HydrophobicContact CB-CE1 4.32Å; M470-F542 HydrophobicContact CB-CZ 4.43Å; F471-F542 HydrophobicContact CB-CE2 4.29Å; F471-F542 HydrophobicContact CB-CZ 4.14Å; F471-F542 HydrophobicContact CD2-CE2 4.34Å; A499-F542 HydrophobicContact CB-CD2 3.95Å; A499-F542 HydrophobicContact CB-CE2 3.89Å; I503-F542 HydrophobicContact CD1-CD2 4.22Å; I503-F542 HydrophobicContact CD1-CE2 3.53Å; I503-F542 HydrophobicContact CD1-CZ 4.22Å; I503-F542 HydrophobicContact CG1-CD2 4.2Å; I503-F542 HydrophobicContact CG1-CE2 4.01Å; V538-F542 VanDerWaalsContact O-CB 3.3Å; V538-F542 WeakPolarHBondContact O-CB 3.27Å; V538-F542 PolarHBondContact O-N 2.92Å; S539-F542 PolarHBondContact O-N 3.17Å; F540-F542 PolarHBondContact O-N 3Å; F542-G544 VanDerWaalsContact C-N 3.25Å; F542-G544 PolarHBondContact O-N 3.03Å; F542-K545 PolarHBondContact O-N 2.75Å; F542-I546 HydrophobicContact CD1-CG1 3.91Å; F542-I546 HydrophobicContact CD2-CG1 4.19Å; F542-I546 HydrophobicContact CE1-CB 4.33Å; F542-I546 HydrophobicContact CE1-CD1 4.49Å; F542-I546 HydrophobicContact CE1-CG1 3.55Å; F542-I546 HydrophobicContact CE2-CD1 4.14Å; F542-I546 HydrophobicContact CE2-CG1 3.81Å; F542-I546 HydrophobicContact CG-CG1 4.26Å; F542-I546 HydrophobicContact CZ-CD1 3.99Å; F542-I546 HydrophobicContact CZ-CG1 3.51Å; F542-I546 WeakPolarHBondContact O-CB 3.36Å; F542-I546 WeakPolarHBondContact O-CG1 3.39Å; F542-I546 PolarHBondContact O-N 2.86Å
543	Y	81.4	Confident	82.4	Confident	79 Å²	79	59.6 Å²	59.6	31%	0.31	29%	0.292	S	S	.	.	H	α-helix	trans	-59.6	-39.3	176.3	-74.6	-61.2	0	0	0	111.8	F463 Y466 S539 N547	F463-Y543 HydrophobicContact CE2-CE2 4.2Å; F463-Y543 WeakPolarHBondContact CE2-OH 3.18Å; F463-Y543 AromaticContact CZ-CE2 3.63Å; F463-Y543 HydrophobicContact CZ-CE2 3.63Å; F463-Y543 AromaticContact CZ-CZ 3.91Å; Y466-Y543 AromaticContact CE1-CE1 3.94Å; Y466-Y543 HydrophobicContact CE1-CE1 3.94Å; Y466-Y543 AromaticContact CE1-CZ 3.93Å; Y466-Y543 WeakPolarHBondContact CE1-OH 3.34Å; S539-Y543 WeakPolarHBondContact O-CD2 3.4Å; S539-Y543 PolarHBondContact O-N 3.18Å; S539-Y543 VanDerWaalsContact O-N 3.13Å; Y543-N547 WeakPolarHBondContact O-CB 3.04Å; Y543-N547 VanDerWaalsContact O-CG 3.26Å; Y543-N547 PolarHBondContact O-N 3.25Å; Y543-N547 PolarHBondContact O-ND2 3.4Å
544	G	79.4	Confident	81.6	Confident	42 Å²	42	61.4 Å²	61.4	43%	0.433	30%	0.298	S	S	.	.	H	α-helix	trans	-56.7	-51.2	173.4	0	0	0	0	0	112.3	F540 L541 F542 S548	F540-G544 PolarHBondContact O-N 3.38Å; L541-G544 PolarHBondContact O-N 2.96Å; F542-G544 VanDerWaalsContact C-N 3.25Å; F542-G544 PolarHBondContact O-N 3.03Å; G544-S548 WeakPolarHBondContact O-CB 3.46Å; G544-S548 PolarHBondContact O-N 3.04Å; G544-S548 PolarHBondContact O-OG 3.27Å
545	K	80.9	Confident	80.8	Confident	42 Å²	42	65.2 Å²	65.2	18%	0.183	32%	0.318	C	S	.	.	H	α-helix	trans	-66.5	-39.5	-178.2	-66.8	174.5	-170.2	176	0	113.3	D498 E502 L541 F542 S548	D498-K545 HydrophobicContact CB-CD 3.89Å; D498-K545 PolarHBondContact O-NZ 3.32Å; E502-K545 VanDerWaalsContact CG-NZ 3.33Å; E502-K545 IonicContact OE1-NZ 3.71Å; E502-K545 PolarHBondContact OE1-NZ 2.75Å; E502-K545 VanDerWaalsContact OE1-NZ 3.16Å; L541-K545 WeakPolarHBondContact O-CG 3.34Å; L541-K545 PolarHBondContact O-N 3.5Å; F542-K545 PolarHBondContact O-N 2.75Å; K545-S548 PolarHBondContact O-OG 2.93Å
546	I	77.4	Confident	80	Confident	9 Å²	9	65 Å²	65	5%	0.046	32%	0.317	C	S	.	.	H	α-helix	trans	-75.9	-39.8	-178.1	-70.1	-62	0	0	0	111.3	T474 A499 F542 R549	T474-I546 HydrophobicContact CG2-CD1 4.23Å; A499-I546 HydrophobicContact CB-CD1 4.23Å; F542-I546 HydrophobicContact CD1-CG1 3.91Å; F542-I546 HydrophobicContact CD2-CG1 4.19Å; F542-I546 HydrophobicContact CE1-CB 4.33Å; F542-I546 HydrophobicContact CE1-CD1 4.49Å; F542-I546 HydrophobicContact CE1-CG1 3.55Å; F542-I546 HydrophobicContact CE2-CD1 4.14Å; F542-I546 HydrophobicContact CE2-CG1 3.81Å; F542-I546 HydrophobicContact CG-CG1 4.26Å; F542-I546 HydrophobicContact CZ-CD1 3.99Å; F542-I546 HydrophobicContact CZ-CG1 3.51Å; F542-I546 WeakPolarHBondContact O-CB 3.36Å; F542-I546 WeakPolarHBondContact O-CG1 3.39Å; F542-I546 PolarHBondContact O-N 2.86Å; I546-R549 VanDerWaalsContact CD1-NH1 3.34Å; I546-R549 VanDerWaalsContact O-CG 3.23Å; I546-R549 WeakPolarHBondContact O-CG 3.4Å; I546-R549 VanDerWaalsContact O-CZ 3.31Å; I546-R549 PolarHBondContact O-NE 3.16Å; I546-R549 PolarHBondContact O-NH1 3.19Å
547	N	76.4	Confident	79.4	Confident	121 Å²	121	63 Å²	63	65%	0.647	32%	0.315	S	S	*	.	H	α-helix	trans	-78.4	-27.3	-179.9	-66.7	-21.3	0	0	0	112.4	Y543 R549	Y543-N547 WeakPolarHBondContact O-CB 3.04Å; Y543-N547 VanDerWaalsContact O-CG 3.26Å; Y543-N547 PolarHBondContact O-N 3.25Å; Y543-N547 PolarHBondContact O-ND2 3.4Å; N547-R549 PolarHBondContact O-N 3.5Å
548	S	74.8	Confident	78.8	Confident	34 Å²	34	65.4 Å²	65.4	24%	0.238	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	4.1	177.5	69.2	0	0	0	0	114.4	G544 K545 K550 S551 N552	G544-S548 WeakPolarHBondContact O-CB 3.46Å; G544-S548 PolarHBondContact O-N 3.04Å; G544-S548 PolarHBondContact O-OG 3.27Å; K545-S548 PolarHBondContact O-OG 2.93Å; S548-K550 PolarHBondContact O-N 3.16Å; S548-S551 VanDerWaalsContact C-OG 3.31Å; S548-S551 WeakPolarHBondContact CA-OG 3.45Å; S548-S551 CarbonylContact O-C 3.56Å; S548-S551 PolarHBondContact O-N 2.71Å; S548-S551 PolarHBondContact O-OG 2.8Å; S548-N552 WeakPolarHBondContact O-CB 3.26Å; S548-N552 PolarHBondContact O-N 3.38Å; S548-N552 PolarHBondContact O-ND2 3.45Å; S548-N552 PolarHBondContact O-OD1 3.42Å; S548-N552 PolarHBondContact OG-ND2 3.3Å; S548-N552 VanDerWaalsContact OG-ND2 3.15Å
549	R	71	Confident	78.3	Confident	50 Å²	50	68.4 Å²	68.4	19%	0.189	34%	0.34	C	S	.	.	H	α-helix	trans	-56.9	-48.4	-177.3	-72	-175.4	-53.8	-123.2	19.3	113.8	T474 E477 I546 N547 S551 N552 E553	T474-R549 PolarHBondContact OG1-NH1 3.12Å; T474-R549 PolarHBondContact OG1-NH2 3.22Å; E477-R549 IonicContact OE2-NH2 3.06Å; E477-R549 PolarHBondContact OE2-NH2 3.19Å; I546-R549 VanDerWaalsContact CD1-NH1 3.34Å; I546-R549 VanDerWaalsContact O-CG 3.23Å; I546-R549 WeakPolarHBondContact O-CG 3.4Å; I546-R549 VanDerWaalsContact O-CZ 3.31Å; I546-R549 PolarHBondContact O-NE 3.16Å; I546-R549 PolarHBondContact O-NH1 3.19Å; N547-R549 PolarHBondContact O-N 3.5Å; R549-S551 VanDerWaalsContact C-N 3.34Å; R549-S551 PolarHBondContact O-N 3.45Å; R549-N552 PolarHBondContact O-N 3Å; R549-N552 VanDerWaalsContact O-N 3.17Å; R549-E553 PolarHBondContact O-N 3.48Å
550	K	69.8	Low	77.7	Confident	157 Å²	157	71.8 Å²	71.8	68%	0.683	36%	0.36	S	S	*	.	H	α-helix	trans	-62.1	-44.5	179.4	-69.9	-173.3	178.2	-176.6	0	110.9	S548 N552 E553 E554	S548-K550 PolarHBondContact O-N 3.16Å; K550-N552 VanDerWaalsContact C-N 3.33Å; K550-N552 PolarHBondContact O-N 2.76Å; K550-E553 PolarHBondContact O-N 2.99Å; K550-E554 PolarHBondContact O-N 2.8Å
551	S	74.3	Confident	77.2	Confident	47 Å²	47	70.9 Å²	70.9	33%	0.329	36%	0.358	S	S	.	.	H	α-helix	trans	-64.7	-35.7	174.5	51.6	0	0	0	0	112.5	S548 R549 E553 E554 I555	S548-S551 VanDerWaalsContact C-OG 3.31Å; S548-S551 WeakPolarHBondContact CA-OG 3.45Å; S548-S551 CarbonylContact O-C 3.56Å; S548-S551 PolarHBondContact O-N 2.71Å; S548-S551 PolarHBondContact O-OG 2.8Å; R549-S551 VanDerWaalsContact C-N 3.34Å; R549-S551 PolarHBondContact O-N 3.45Å; S551-E553 VanDerWaalsContact C-N 3.29Å; S551-E553 PolarHBondContact O-N 2.93Å; S551-E554 PolarHBondContact O-N 2.91Å; S551-I555 WeakPolarHBondContact O-CB 3.48Å; S551-I555 WeakPolarHBondContact O-CD1 3.41Å; S551-I555 WeakPolarHBondContact O-CG1 3.03Å; S551-I555 PolarHBondContact O-N 2.79Å
552	N	74.3	Confident	76.5	Confident	39 Å²	39	73.9 Å²	73.9	21%	0.209	37%	0.374	C	S	.	.	H	α-helix	trans	-68.2	-29.9	178.7	-66.4	-20.8	0	0	0	112.1	S548 R549 K550 G556	S548-N552 WeakPolarHBondContact O-CB 3.26Å; S548-N552 PolarHBondContact O-N 3.38Å; S548-N552 PolarHBondContact O-ND2 3.45Å; S548-N552 PolarHBondContact O-OD1 3.42Å; S548-N552 PolarHBondContact OG-ND2 3.3Å; S548-N552 VanDerWaalsContact OG-ND2 3.15Å; R549-N552 PolarHBondContact O-N 3Å; R549-N552 VanDerWaalsContact O-N 3.17Å; K550-N552 VanDerWaalsContact C-N 3.33Å; K550-N552 PolarHBondContact O-N 2.76Å; N552-G556 WeakPolarHBondContact O-CA 3.16Å; N552-G556 PolarHBondContact O-N 2.87Å
553	E	73.2	Confident	75.5	Confident	43 Å²	43	76.1 Å²	76.1	20%	0.201	39%	0.388	C	S	.	.	H	α-helix	trans	-66.8	-53.5	172.6	-174.5	174.3	-158.8	0	0	110.6	K481 Y482 R549 K550 S551 I555 G556 E557	K481-E553 IonicContact NZ-OE1 2.68Å; K481-E553 PolarHBondContact NZ-OE1 3.3Å; K481-E553 IonicContact NZ-OE2 3.56Å; K481-E553 PolarHBondContact NZ-OE2 2.9Å; Y482-E553 PolarHBondContact OH-OE1 2.75Å; Y482-E553 PolarHBondContact OH-OE2 3.39Å; R549-E553 PolarHBondContact O-N 3.48Å; K550-E553 PolarHBondContact O-N 2.99Å; S551-E553 VanDerWaalsContact C-N 3.29Å; S551-E553 PolarHBondContact O-N 2.93Å; E553-I555 VanDerWaalsContact C-N 3.33Å; E553-I555 PolarHBondContact O-N 3.07Å; E553-G556 PolarHBondContact O-N 2.86Å; E553-G556 VanDerWaalsContact O-N 3.09Å; E553-E557 PolarHBondContact O-N 2.84Å
554	E	78.6	Confident	74.5	Confident	121 Å²	121	78.3 Å²	78.3	57%	0.565	40%	0.404	S	S	*	.	H	α-helix	trans	-60.5	-41.2	177.4	-66.8	173.5	-172.1	0	0	112.4	K550 S551 K558	K550-E554 PolarHBondContact O-N 2.8Å; S551-E554 PolarHBondContact O-N 2.91Å; E554-K558 WeakPolarHBondContact O-CG 3.47Å; E554-K558 PolarHBondContact O-N 3.36Å; E554-K558 VanDerWaalsContact O-N 3.09Å
555	I	77.2	Confident	73.4	Confident	85 Å²	85	81.9 Å²	81.9	44%	0.436	41%	0.413	S	S	.	.	H	α-helix	trans	-65.9	-41.3	175.3	-70.4	165.1	0	0	0	109.9	S551 E553 E557 K558 I559	S551-I555 WeakPolarHBondContact O-CB 3.48Å; S551-I555 WeakPolarHBondContact O-CD1 3.41Å; S551-I555 WeakPolarHBondContact O-CG1 3.03Å; S551-I555 PolarHBondContact O-N 2.79Å; E553-I555 VanDerWaalsContact C-N 3.33Å; E553-I555 PolarHBondContact O-N 3.07Å; I555-E557 PolarHBondContact O-N 3Å; I555-K558 PolarHBondContact O-N 2.53Å; I555-I559 HydrophobicContact CG2-CD1 3.6Å; I555-I559 HydrophobicContact CG2-CG1 4.07Å; I555-I559 WeakPolarHBondContact O-CB 3.5Å; I555-I559 WeakPolarHBondContact O-CG1 3.43Å; I555-I559 PolarHBondContact O-N 2.65Å
556	G	78.4	Confident	72.2	Confident	3 Å²	3	87 Å²	87	3%	0.031	44%	0.441	C	S	.	.	H	α-helix	trans	-59.7	-44.9	177.3	0	0	0	0	0	112.2	N552 E553 I559 V560	N552-G556 WeakPolarHBondContact O-CA 3.16Å; N552-G556 PolarHBondContact O-N 2.87Å; E553-G556 PolarHBondContact O-N 2.86Å; E553-G556 VanDerWaalsContact O-N 3.09Å; G556-I559 PolarHBondContact O-N 3.22Å; G556-V560 WeakPolarHBondContact O-CG2 3.01Å; G556-V560 PolarHBondContact O-N 3.12Å
557	E	77.4	Confident	71	Confident	124 Å²	124	88.6 Å²	88.6	58%	0.579	45%	0.452	S	S	*	.	H	α-helix	trans	-61.7	-46.4	175.6	-70.2	178.2	174.3	0	0	111.8	E553 I555 I559 V560 E561	E553-E557 PolarHBondContact O-N 2.84Å; I555-E557 PolarHBondContact O-N 3Å; E557-I559 VanDerWaalsContact C-N 3.34Å; E557-I559 PolarHBondContact O-N 2.86Å; E557-V560 PolarHBondContact O-N 3.13Å; E557-E561 PolarHBondContact O-N 3.4Å
558	K	78.8	Confident	70	Confident	130 Å²	130	86 Å²	86	57%	0.565	44%	0.437	S	S	*	.	H	α-helix	trans	-64.3	-37	175	-72.8	-179.1	179	-178.9	0	112.9	E554 I555 V560 E561 L562	E554-K558 WeakPolarHBondContact O-CG 3.47Å; E554-K558 PolarHBondContact O-N 3.36Å; E554-K558 VanDerWaalsContact O-N 3.09Å; I555-K558 PolarHBondContact O-N 2.53Å; K558-V560 VanDerWaalsContact C-N 3.34Å; K558-E561 PolarHBondContact O-N 3.37Å; K558-L562 WeakPolarHBondContact O-CB 3.5Å; K558-L562 VanDerWaalsContact O-CG 3.25Å; K558-L562 WeakPolarHBondContact O-CG 3.46Å; K558-L562 PolarHBondContact O-N 3.11Å
559	I	77.5	Confident	69.3	Low	64 Å²	64	89.7 Å²	89.7	33%	0.328	46%	0.458	S	S	.	.	H	α-helix	trans	-61	-49.1	174	-75	169.8	0	0	0	108.2	F491 I555 G556 E557 E561 L562 T563	F491-I559 HydrophobicContact CE1-CB 4.4Å; F491-I559 HydrophobicContact CE1-CD1 4.02Å; F491-I559 HydrophobicContact CE1-CG2 4.19Å; F491-I559 HydrophobicContact CZ-CB 4.24Å; F491-I559 HydrophobicContact CZ-CG2 3.92Å; I555-I559 HydrophobicContact CG2-CD1 3.6Å; I555-I559 HydrophobicContact CG2-CG1 4.07Å; I555-I559 WeakPolarHBondContact O-CB 3.5Å; I555-I559 WeakPolarHBondContact O-CG1 3.43Å; I555-I559 PolarHBondContact O-N 2.65Å; G556-I559 PolarHBondContact O-N 3.22Å; E557-I559 VanDerWaalsContact C-N 3.34Å; E557-I559 PolarHBondContact O-N 2.86Å; I559-E561 VanDerWaalsContact C-N 3.27Å; I559-E561 PolarHBondContact O-N 3.25Å; I559-L562 PolarHBondContact O-N 2.63Å; I559-L562 VanDerWaalsContact O-N 3.15Å; I559-T563 VanDerWaalsContact C-OG1 3.3Å; I559-T563 HydrophobicContact CG2-CG2 3.82Å; I559-T563 WeakPolarHBondContact O-CA 3.43Å; I559-T563 WeakPolarHBondContact O-CB 3.28Å; I559-T563 WeakPolarHBondContact O-CG2 3.22Å; I559-T563 PolarHBondContact O-N 2.94Å; I559-T563 PolarHBondContact O-OG1 3.4Å
560	V	76.2	Confident	68.7	Low	89 Å²	89	94.7 Å²	94.7	54%	0.539	48%	0.483	S	S	.	.	H	α-helix	trans	-57.4	-41.9	178.3	172.2	0	0	0	0	111.4	F491 G556 E557 K558	F491-V560 HydrophobicContact CE2-CG2 3.93Å; F491-V560 HydrophobicContact CZ-CG2 4.4Å; G556-V560 WeakPolarHBondContact O-CG2 3.01Å; G556-V560 PolarHBondContact O-N 3.12Å; E557-V560 PolarHBondContact O-N 3.13Å; K558-V560 VanDerWaalsContact C-N 3.34Å
561	E	73.4	Confident	68.1	Low	147 Å²	147	94.9 Å²	94.9	69%	0.687	48%	0.484	S	S	*	.	H	α-helix	trans	-61.5	-45.9	175.6	-172.2	-177.5	-179.2	0	0	112.4	E557 K558 I559	E557-E561 PolarHBondContact O-N 3.4Å; K558-E561 PolarHBondContact O-N 3.37Å; I559-E561 VanDerWaalsContact C-N 3.27Å; I559-E561 PolarHBondContact O-N 3.25Å
562	L	70.2	Confident	67.3	Low	125 Å²	125	96.1 Å²	96.1	65%	0.654	49%	0.49	S	S	*	.	H	α-helix	trans	-74.6	-33.5	-179.9	-68.4	172.5	0	0	0	112.9	K558 I559 L564 I568	K558-L562 WeakPolarHBondContact O-CB 3.5Å; K558-L562 VanDerWaalsContact O-CG 3.25Å; K558-L562 WeakPolarHBondContact O-CG 3.46Å; K558-L562 PolarHBondContact O-N 3.11Å; I559-L562 PolarHBondContact O-N 2.63Å; I559-L562 VanDerWaalsContact O-N 3.15Å; L562-L564 PolarHBondContact O-N 2.98Å; L562-I568 VanDerWaalsContact O-CD1 3.23Å; L562-I568 WeakPolarHBondContact O-CD1 3.41Å; L562-I568 WeakPolarHBondContact O-CG1 3.48Å
563	T	64.4	Low	66.5	Low	47 Å²	47	99.2 Å²	99.2	29%	0.288	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	34	-173.2	64.2	0	0	0	0	113	I559 L565 I568	I559-T563 VanDerWaalsContact C-OG1 3.3Å; I559-T563 HydrophobicContact CG2-CG2 3.82Å; I559-T563 WeakPolarHBondContact O-CA 3.43Å; I559-T563 WeakPolarHBondContact O-CB 3.28Å; I559-T563 WeakPolarHBondContact O-CG2 3.22Å; I559-T563 PolarHBondContact O-N 2.94Å; I559-T563 PolarHBondContact O-OG1 3.4Å; T563-L565 HydrophobicContact CG2-CD2 4.28Å; T563-L565 HydrophobicContact CG2-CG 4.32Å; T563-L565 VanDerWaalsContact O-CG 3.28Å; T563-L565 WeakPolarHBondContact O-CG 3.47Å; T563-L565 PolarHBondContact O-N 2.75Å; T563-I568 HydrophobicContact CG2-CD1 4.02Å
564	L	61.7	Low	65.9	Low	125 Å²	125	102.3 Å²	102.3	65%	0.654	53%	0.53	S	S	*	.			trans	-58.4	76.2	141.7	-79.6	159.6	0	0	0	107.2	L562 L566 T567	L562-L564 PolarHBondContact O-N 2.98Å; L564-L566 VanDerWaalsContact C-N 3.28Å; L564-L566 PolarHBondContact O-N 2.89Å; L564-T567 PolarHBondContact O-N 2.91Å; L564-T567 PolarHBondContact O-OG1 3.18Å
565	L	56	Low	65	Low	118 Å²	118	104.5 Å²	104.5	62%	0.618	55%	0.545	S	S	*	.	H	α-helix	trans	-66.1	-27.3	-155	-87.9	149.3	0	0	0	113.4	T563 T567 I568	T563-L565 HydrophobicContact CG2-CD2 4.28Å; T563-L565 HydrophobicContact CG2-CG 4.32Å; T563-L565 VanDerWaalsContact O-CG 3.28Å; T563-L565 WeakPolarHBondContact O-CG 3.47Å; T563-L565 PolarHBondContact O-N 2.75Å; L565-T567 PolarHBondContact O-N 3.39Å; L565-I568 HydrophobicContact CD2-CD1 4.23Å; L565-I568 PolarHBondContact O-N 3.25Å
566	L	54.8	Low	63.7	Low	149 Å²	149	110.4 Å²	110.4	78%	0.78	58%	0.575	S	S	*	*	H	α-helix	trans	-61.6	-26.9	173.2	-72.2	169.8	0	0	0	111.6	L564 Q570	L564-L566 VanDerWaalsContact C-N 3.28Å; L564-L566 PolarHBondContact O-N 2.89Å; L566-Q570 WeakPolarHBondContact O-CG 3.46Å; L566-Q570 PolarHBondContact O-OE1 3.12Å
567	T	53.7	Low	63	Low	43 Å²	43	115.8 Å²	115.8	26%	0.264	60%	0.602	S	S	.	*	H	α-helix	trans	-88.6	-20.9	179.8	27.1	0	0	0	0	115.4	L564 L565 Q570 K571	L564-T567 PolarHBondContact O-N 2.91Å; L564-T567 PolarHBondContact O-OG1 3.18Å; L565-T567 PolarHBondContact O-N 3.39Å; T567-Q570 PolarHBondContact O-N 2.87Å; T567-K571 HydrophobicContact CG2-CD 3.84Å; T567-K571 VanDerWaalsContact CG2-CE 3.43Å; T567-K571 HydrophobicContact CG2-CG 4.12Å; T567-K571 WeakPolarHBondContact O-CB 3.42Å; T567-K571 WeakPolarHBondContact O-CG 3.36Å; T567-K571 PolarHBondContact O-N 2.99Å
568	I	53.6	Low	62.2	Low	66 Å²	66	115.3 Å²	115.3	34%	0.338	60%	0.604	S	S	.	*	H	α-helix	trans	-65.7	-50	-176.6	-63.2	-179.4	0	0	0	111.2	L562 T563 L565 Q570 T572	L562-I568 VanDerWaalsContact O-CD1 3.23Å; L562-I568 WeakPolarHBondContact O-CD1 3.41Å; L562-I568 WeakPolarHBondContact O-CG1 3.48Å; T563-I568 HydrophobicContact CG2-CD1 4.02Å; L565-I568 HydrophobicContact CD2-CD1 4.23Å; L565-I568 PolarHBondContact O-N 3.25Å; I568-Q570 PolarHBondContact O-N 3.21Å; I568-T572 WeakPolarHBondContact O-CB 3.49Å; I568-T572 PolarHBondContact O-N 3.17Å; I568-T572 PolarHBondContact O-OG1 3.3Å
569	V	61.8	Low	61.3	Low	112 Å²	112	114.5 Å²	114.5	68%	0.679	61%	0.606	S	S	*	*	H	α-helix	trans	-67.3	-28.7	-179.2	-176.5	0	0	0	0	111.1
570	Q	58.4	Low	60.3	Low	155 Å²	155	117.5 Å²	117.5	72%	0.724	62%	0.622	S	S	*	*	H	α-helix	trans	-85.3	-35.2	-179.5	-68.6	-177.7	-15.4	0	0	114	L566 T567 I568	L566-Q570 WeakPolarHBondContact O-CG 3.46Å; L566-Q570 PolarHBondContact O-OE1 3.12Å; T567-Q570 PolarHBondContact O-N 2.87Å; I568-Q570 PolarHBondContact O-N 3.21Å
571	K	57.2	Low	59.4	Low	161 Å²	161	119.3 Å²	119.3	70%	0.7	63%	0.627	S	S	*	*	H	α-helix	trans	-98	-21	-173	-68.4	-172.2	174.3	173.3	0	114	T567 P573	T567-K571 HydrophobicContact CG2-CD 3.84Å; T567-K571 VanDerWaalsContact CG2-CE 3.43Å; T567-K571 HydrophobicContact CG2-CG 4.12Å; T567-K571 WeakPolarHBondContact O-CB 3.42Å; T567-K571 WeakPolarHBondContact O-CG 3.36Å; T567-K571 PolarHBondContact O-N 2.99Å; K571-P573 VanDerWaalsContact O-CD 3.26Å; K571-P573 WeakPolarHBondContact O-CD 3.34Å
572	T	56.9	Low	58.4	Low	72 Å²	72	117.4 Å²	117.4	44%	0.442	62%	0.623	S	S	.	*	S	Bend	trans	-88	113.7	171.7	-33.6	0	0	0	0	106.2	I568 L574	I568-T572 WeakPolarHBondContact O-CB 3.49Å; I568-T572 PolarHBondContact O-N 3.17Å; I568-T572 PolarHBondContact O-OG1 3.3Å; T572-L574 PolarHBondContact O-N 3.22Å
573	P	57.9	Low	57.6	Low	105 Å²	105	116.9 Å²	116.9	68%	0.682	62%	0.621	S	S	*	*			trans	-61.1	93.6	158.7	26.6	-29.7	0	0	0	105.4	K571 N575	K571-P573 VanDerWaalsContact O-CD 3.26Å; K571-P573 WeakPolarHBondContact O-CD 3.34Å; P573-N575 VanDerWaalsContact C-N 3.3Å; P573-N575 PolarHBondContact O-N 3.1Å
574	L	60	Low	57.1	Low	108 Å²	108	122.2 Å²	122.2	57%	0.565	65%	0.647	S	S	*	*			trans	-57.1	112.8	150	-68.4	168	0	0	0	102.3	T572 I576	T572-L574 PolarHBondContact O-N 3.22Å; L574-I576 HydrophobicContact CB-CD1 3.92Å; L574-I576 HydrophobicContact CB-CG1 3.51Å; L574-I576 HydrophobicContact CD1-CD1 4.1Å; L574-I576 PolarHBondContact O-N 3.28Å
575	N	58.8	Low	56.7	Low	166 Å²	166	122 Å²	122	89%	0.888	65%	0.646	S	S	*	*			trans	-64.7	72.1	164.1	-75.7	-21.8	0	0	0	106.4	P573	P573-N575 VanDerWaalsContact C-N 3.3Å; P573-N575 PolarHBondContact O-N 3.1Å
576	I	51.1	Low	56.7	Low	209 Å²	209	122.4 Å²	122.4	100%	1.072	65%	0.649	S	S	*	*			trans	-83.7	0	161.4	-46.5	178.5	0	0	0	105	L574	L574-I576 HydrophobicContact CB-CD1 3.92Å; L574-I576 HydrophobicContact CB-CG1 3.51Å; L574-I576 HydrophobicContact CD1-CD1 4.1Å; L574-I576 PolarHBondContact O-N 3.28Å

Retrieved 576 of 576 residues in 293.8 ms (Link to these results)

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