A0A3Q0KEE2_SCHMA Loading...

Putative voltage-gated potassium channel

AlphaFold DB , UniProt , Accession A0A3Q0KEE2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 678 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.9	Very low	63.5	Low	242 Å²	242	118.1 Å²	118.1	100%	1.192	63%	0.633	S	S	*	*				0	111.7	0	-68.2	176.6	-173.4	0	0	106.9
2	I	46.3	Very low	64	Low	111 Å²	111	113.3 Å²	113.3	57%	0.569	62%	0.615	S	S	*	*			cis	-143.8	111	7.1	-60.6	167.2	0	0	0	106	S4	I2-S4 VanDerWaalsContact C-N 3.28Å; I2-S4 WeakPolarHBondContact CG2-OG 3.42Å; I2-S4 PolarHBondContact O-N 3.5Å
3	P	58.2	Low	64.2	Low	112 Å²	112	109.1 Å²	109.1	73%	0.727	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-77.1	-12.1	179	-3.3	18.4	0	0	0	113.5	W5	P3-W5 PolarHBondContact O-N 2.71Å
4	S	62.9	Low	64.4	Low	86 Å²	86	109.8 Å²	109.8	60%	0.601	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-77.2	-13.2	-170.4	53.5	0	0	0	0	115.4	I2	I2-S4 VanDerWaalsContact C-N 3.28Å; I2-S4 WeakPolarHBondContact CG2-OG 3.42Å; I2-S4 PolarHBondContact O-N 3.5Å
5	W	73.6	Confident	64.7	Low	162 Å²	162	106 Å²	106	61%	0.614	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-94.9	-7.9	179.1	-71.5	81.2	0	0	0	114.3	P3 P7 V8 V9	P3-W5 PolarHBondContact O-N 2.71Å; W5-P7 VanDerWaalsContact C-CD 3.46Å; W5-V8 HydrophobicContact CE3-CB 4.2Å; W5-V8 HydrophobicContact CE3-CG1 4.15Å; W5-V8 HydrophobicContact CZ3-CG1 4.31Å; W5-V8 PolarHBondContact O-N 3.14Å; W5-V8 VanDerWaalsContact O-N 3.12Å; W5-V9 WeakPolarHBondContact O-CG2 3.45Å; W5-V9 PolarHBondContact O-N 2.98Å
6	L	66.3	Low	64.7	Low	95 Å²	95	110.3 Å²	110.3	50%	0.497	61%	0.605	S	S	.	*	H	α-helix	trans	-55.4	-40.5	179.3	-106.6	107.9	0	0	0	114.2	R10	L6-R10 WeakPolarHBondContact O-CB 3.37Å; L6-R10 PolarHBondContact O-N 2.91Å
7	P	66.4	Low	64.5	Low	89 Å²	89	108.8 Å²	108.8	58%	0.578	60%	0.6	S	S	*	*	H	α-helix	trans	-65.5	-39.6	176.6	-20.9	32.8	0	0	0	112.4	W5 R10 A11	W5-P7 VanDerWaalsContact C-CD 3.46Å; P7-R10 PolarHBondContact O-N 2.83Å; P7-A11 WeakPolarHBondContact O-CB 3.38Å; P7-A11 PolarHBondContact O-N 3.24Å
8	V	72.4	Confident	64.3	Low	73 Å²	73	108.9 Å²	108.9	44%	0.442	61%	0.607	S	S	.	*	H	α-helix	trans	-69.7	-41.1	179.2	-179.8	0	0	0	0	110.8	W5 A11 S12	W5-V8 HydrophobicContact CE3-CB 4.2Å; W5-V8 HydrophobicContact CE3-CG1 4.15Å; W5-V8 HydrophobicContact CZ3-CG1 4.31Å; W5-V8 PolarHBondContact O-N 3.14Å; W5-V8 VanDerWaalsContact O-N 3.12Å; V8-A11 PolarHBondContact O-N 2.85Å; V8-S12 VanDerWaalsContact O-CB 3.28Å; V8-S12 WeakPolarHBondContact O-CB 3.39Å; V8-S12 PolarHBondContact O-N 3.33Å; V8-S12 PolarHBondContact O-OG 3.39Å
9	V	71.2	Confident	64.3	Low	93 Å²	93	110.4 Å²	110.4	56%	0.564	61%	0.613	S	S	*	*	H	α-helix	trans	-65.6	-40.2	175.2	174.7	0	0	0	0	111.1	W5 S12 A13	W5-V9 WeakPolarHBondContact O-CG2 3.45Å; W5-V9 PolarHBondContact O-N 2.98Å; V9-S12 PolarHBondContact O-N 3.28Å; V9-A13 VanDerWaalsContact O-CB 3.32Å; V9-A13 WeakPolarHBondContact O-CB 3.3Å; V9-A13 PolarHBondContact O-N 3.17Å
10	R	68.7	Low	63.8	Low	173 Å²	173	110.6 Å²	110.6	65%	0.653	61%	0.612	S	S	*	*	H	α-helix	trans	-66	-44.2	173.8	-83	-176.6	178.5	161.4	0.1	112.4	L6 P7 S12 A13 I14	L6-R10 WeakPolarHBondContact O-CB 3.37Å; L6-R10 PolarHBondContact O-N 2.91Å; P7-R10 PolarHBondContact O-N 2.83Å; R10-S12 VanDerWaalsContact C-N 3.32Å; R10-S12 PolarHBondContact O-N 3.4Å; R10-A13 PolarHBondContact O-N 3.46Å; R10-I14 WeakPolarHBondContact O-CD1 3.1Å; R10-I14 WeakPolarHBondContact O-CG1 3.23Å; R10-I14 PolarHBondContact O-N 2.94Å
11	A	71.2	Confident	63.7	Low	63 Å²	63	115.1 Å²	115.1	52%	0.521	63%	0.629	S	S	.	*	H	α-helix	trans	-63.9	-39.3	176.7	0	0	0	0	0	111.7	P7 V8 I14 G15	P7-A11 WeakPolarHBondContact O-CB 3.38Å; P7-A11 PolarHBondContact O-N 3.24Å; V8-A11 PolarHBondContact O-N 2.85Å; A11-I14 PolarHBondContact O-N 3.33Å; A11-G15 PolarHBondContact O-N 3.14Å; A11-G15 VanDerWaalsContact O-N 3.17Å
12	S	70.4	Confident	64.7	Low	61 Å²	61	107.6 Å²	107.6	43%	0.427	60%	0.6	S	S	.	*	H	α-helix	trans	-64.7	-47.3	174	-53.9	0	0	0	0	110.5	V8 V9 R10 I14 G15 W16	V8-S12 VanDerWaalsContact O-CB 3.28Å; V8-S12 WeakPolarHBondContact O-CB 3.39Å; V8-S12 PolarHBondContact O-N 3.33Å; V8-S12 PolarHBondContact O-OG 3.39Å; V9-S12 PolarHBondContact O-N 3.28Å; R10-S12 VanDerWaalsContact C-N 3.32Å; R10-S12 PolarHBondContact O-N 3.4Å; S12-I14 VanDerWaalsContact C-N 3.27Å; S12-I14 PolarHBondContact O-N 2.84Å; S12-G15 WeakPolarHBondContact O-CA 3.29Å; S12-G15 PolarHBondContact O-N 3.08Å; S12-W16 VanDerWaalsContact O-CD1 3.23Å; S12-W16 PolarHBondContact O-N 3.32Å
13	A	65.8	Low	65.2	Low	58 Å²	58	111.2 Å²	111.2	48%	0.479	61%	0.611	S	S	.	*	H	α-helix	trans	-58.6	-36.8	177.8	0	0	0	0	0	112.7	V9 R10 G15 W16 T17	V9-A13 VanDerWaalsContact O-CB 3.32Å; V9-A13 WeakPolarHBondContact O-CB 3.3Å; V9-A13 PolarHBondContact O-N 3.17Å; R10-A13 PolarHBondContact O-N 3.46Å; A13-G15 VanDerWaalsContact C-N 3.3Å; A13-G15 PolarHBondContact O-N 3.5Å; A13-W16 PolarHBondContact O-N 3.02Å; A13-T17 WeakPolarHBondContact O-CG2 3.05Å; A13-T17 PolarHBondContact O-N 3.4Å
14	I	67.2	Low	65	Low	119 Å²	119	113.2 Å²	113.2	61%	0.61	62%	0.615	S	S	*	*	H	α-helix	trans	-71	-22.4	175.2	-63	162.2	0	0	0	112.4	R10 A11 S12 T17	R10-I14 WeakPolarHBondContact O-CD1 3.1Å; R10-I14 WeakPolarHBondContact O-CG1 3.23Å; R10-I14 PolarHBondContact O-N 2.94Å; A11-I14 PolarHBondContact O-N 3.33Å; S12-I14 VanDerWaalsContact C-N 3.27Å; S12-I14 PolarHBondContact O-N 2.84Å; I14-T17 PolarHBondContact O-OG1 3.39Å
15	G	69	Low	64.7	Low	53 Å²	53	114.9 Å²	114.9	55%	0.546	62%	0.624	S	S	.	*	H	α-helix	trans	-76.5	-25.5	173.6	0	0	0	0	0	114	A11 S12 A13 P18	A11-G15 PolarHBondContact O-N 3.14Å; A11-G15 VanDerWaalsContact O-N 3.17Å; S12-G15 WeakPolarHBondContact O-CA 3.29Å; S12-G15 PolarHBondContact O-N 3.08Å; A13-G15 VanDerWaalsContact C-N 3.3Å; A13-G15 PolarHBondContact O-N 3.5Å; G15-P18 WeakPolarHBondContact O-CD 3.35Å
16	W	65.3	Low	64.1	Low	174 Å²	174	113.9 Å²	113.9	66%	0.659	63%	0.63	S	S	*	*	H	α-helix	trans	-100.1	-7.3	-179.4	-68.1	79.1	0	0	0	113.7	S12 A13 P18 L19	S12-W16 VanDerWaalsContact O-CD1 3.23Å; S12-W16 PolarHBondContact O-N 3.32Å; A13-W16 PolarHBondContact O-N 3.02Å; W16-P18 VanDerWaalsContact C-N 3.28Å; W16-L19 HydrophobicContact CE3-CD1 4.2Å; W16-L19 HydrophobicContact CZ3-CD1 4.46Å; W16-L19 PolarHBondContact O-N 2.84Å
17	T	61.3	Low	63.4	Low	86 Å²	86	117.8 Å²	117.8	53%	0.528	65%	0.646	S	S	.	*	G	3₁₀ helix	trans	-55.2	-29.1	175.8	41	0	0	0	0	115	A13 I14 L19	A13-T17 WeakPolarHBondContact O-CG2 3.05Å; A13-T17 PolarHBondContact O-N 3.4Å; I14-T17 PolarHBondContact O-OG1 3.39Å; T17-L19 VanDerWaalsContact C-N 3.25Å; T17-L19 PolarHBondContact O-N 2.77Å
18	P	61.2	Low	62.4	Low	111 Å²	111	118.8 Å²	118.8	72%	0.721	65%	0.653	S	S	*	*	G	3₁₀ helix	trans	-72.5	-13.3	176.1	-15.5	30.5	0	0	0	114.5	G15 W16	G15-P18 WeakPolarHBondContact O-CD 3.35Å; W16-P18 VanDerWaalsContact C-N 3.28Å
19	L	63	Low	61.4	Low	137 Å²	137	122.9 Å²	122.9	72%	0.717	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-103.9	-6.3	-177	-73.4	166.8	0	0	0	113.8	W16 T17 Q21	W16-L19 HydrophobicContact CE3-CD1 4.2Å; W16-L19 HydrophobicContact CZ3-CD1 4.46Å; W16-L19 PolarHBondContact O-N 2.84Å; T17-L19 VanDerWaalsContact C-N 3.25Å; T17-L19 PolarHBondContact O-N 2.77Å; L19-Q21 PolarHBondContact O-N 3.4Å
20	L	55.8	Low	60.3	Low	113 Å²	113	123.3 Å²	123.3	59%	0.592	67%	0.67	S	S	*	*			trans	-95.8	93.1	176.8	-80.5	148.9	0	0	0	109.7	S22	L20-S22 PolarHBondContact O-N 3.27Å
21	Q	60.9	Low	59.5	Low	207 Å²	207	121.5 Å²	121.5	97%	0.967	68%	0.678	S	S	*	*			trans	-68.4	8.8	170.7	-88.3	179.6	-19.9	0	0	114.1	L19	L19-Q21 PolarHBondContact O-N 3.4Å
22	S	61.4	Low	58.2	Low	83 Å²	83	123.2 Å²	123.2	58%	0.58	68%	0.678	S	S	*	*	S	Bend	trans	-83.2	116.9	173	56.6	0	0	0	0	110.3	L20 L24	L20-S22 PolarHBondContact O-N 3.27Å; S22-L24 PolarHBondContact O-N 2.99Å
23	K	58	Low	57	Low	188 Å²	188	129 Å²	129	82%	0.817	70%	0.696	S	S	*	*			trans	-41.7	130.5	166.6	-147	179.3	-175.3	-169.2	0	109.4
24	L	53.4	Low	56.2	Low	154 Å²	154	135.1 Å²	135.1	81%	0.806	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-50.6	135.9	172.4	-88.2	109.1	0	0	0	108.5	S22 D26	S22-L24 PolarHBondContact O-N 2.99Å; L24-D26 PolarHBondContact O-N 3.18Å
25	P	56.3	Low	55.4	Low	120 Å²	120	136.6 Å²	136.6	78%	0.779	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-55.9	133.6	173.1	22.8	-30.5	0	0	0	108.5	E27	P25-E27 PolarHBondContact O-N 3.1Å
26	D	60.4	Low	54.5	Low	141 Å²	141	140.2 Å²	140.2	75%	0.754	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-52.6	139.1	175.1	-68.1	-42.3	0	0	0	109	L24	L24-D26 PolarHBondContact O-N 3.18Å
27	E	51.6	Low	54.2	Low	177 Å²	177	140.4 Å²	140.4	83%	0.827	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-47.5	126.2	176.6	-160.2	169	-162.1	0	0	108.4	P25 L29	P25-E27 PolarHBondContact O-N 3.1Å; E27-L29 PolarHBondContact O-N 3.36Å
28	P	46.5	Very low	54.8	Low	111 Å²	111	137.9 Å²	137.9	72%	0.721	71%	0.705	S	S	*	*			trans	-57.2	113.1	-173.8	21.2	-31.3	0	0	0	108.1	I30	P28-I30 PolarHBondContact O-N 2.96Å
29	L	51.6	Low	55.8	Low	159 Å²	159	141.9 Å²	141.9	83%	0.832	71%	0.706	S	S	*	*			trans	-54.5	107.1	173.4	-76.4	169.6	0	0	0	106.6	E27 T31	E27-L29 PolarHBondContact O-N 3.36Å; L29-T31 PolarHBondContact O-N 3.44Å; L29-T31 PolarHBondContact O-OG1 3.31Å
30	I	46.9	Very low	57.1	Low	102 Å²	102	142.5 Å²	142.5	52%	0.523	70%	0.702	S	S	.	*			trans	-62.7	91.9	179	-57.8	172.2	0	0	0	106.5	P28 N32 Y35	P28-I30 PolarHBondContact O-N 2.96Å; I30-N32 HydrophobicContact CG2-CB 3.91Å; I30-N32 PolarHBondContact O-N 3.49Å; I30-N32 VanDerWaalsContact O-N 3.11Å; I30-Y35 HydrophobicContact CG2-CD2 3.83Å; I30-Y35 HydrophobicContact CG2-CG 3.84Å
31	T	51.9	Low	58.8	Low	135 Å²	135	137.9 Å²	137.9	83%	0.828	68%	0.678	S	S	*	*			trans	-72	4.7	177.7	25.8	0	0	0	0	112.3	L29 K33	L29-T31 PolarHBondContact O-N 3.44Å; L29-T31 PolarHBondContact O-OG1 3.31Å; T31-K33 PolarHBondContact O-N 3.46Å
32	N	43.9	Very low	60.4	Low	99 Å²	99	130.1 Å²	130.1	53%	0.529	65%	0.645	S	S	.	*			trans	-83.7	101.4	176.3	-148.9	-20.6	0	0	0	109.3	I30 K34 Y35	I30-N32 HydrophobicContact CG2-CB 3.91Å; I30-N32 PolarHBondContact O-N 3.49Å; I30-N32 VanDerWaalsContact O-N 3.11Å; N32-K34 PolarHBondContact O-N 3.17Å; N32-Y35 HydrophobicContact CB-CD2 4.24Å; N32-Y35 PolarHBondContact O-N 3.32Å
33	K	46.4	Very low	62.1	Low	183 Å²	183	126.2 Å²	126.2	80%	0.796	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48.6	-17.5	180	-81.1	-179.9	175.3	176.3	0	114.8	T31	T31-K33 PolarHBondContact O-N 3.46Å
34	K	49.3	Very low	63.9	Low	186 Å²	186	117.8 Å²	117.8	81%	0.809	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.7	-32.6	173.8	-122.3	178.9	179.4	-177	0	113.8	N32	N32-K34 PolarHBondContact O-N 3.17Å
35	Y	49.5	Very low	65.9	Low	149 Å²	149	110.5 Å²	110.5	58%	0.584	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-83.2	-17.4	-178.3	-82.7	-89.8	0	0	0	114	I30 N32 K37 D38	I30-Y35 HydrophobicContact CG2-CD2 3.83Å; I30-Y35 HydrophobicContact CG2-CG 3.84Å; N32-Y35 HydrophobicContact CB-CD2 4.24Å; N32-Y35 PolarHBondContact O-N 3.32Å; Y35-K37 PolarHBondContact O-N 2.94Å; Y35-K37 VanDerWaalsContact O-N 3.16Å; Y35-D38 PolarHBondContact O-N 3.18Å
36	I	51.1	Low	67.6	Low	129 Å²	129	107.3 Å²	107.3	66%	0.662	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-69.2	-12.6	-178.5	-59.5	177.3	0	0	0	112.2
37	K	58.3	Low	69.1	Low	178 Å²	178	103 Å²	103	77%	0.774	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-100.3	0.7	177.9	-78.5	-173.4	177	-178.1	0	115.1	Y35 R39	Y35-K37 PolarHBondContact O-N 2.94Å; Y35-K37 VanDerWaalsContact O-N 3.16Å; K37-R39 VanDerWaalsContact C-N 3.32Å; K37-R39 PolarHBondContact O-N 2.88Å
38	D	73.5	Confident	71.1	Confident	34 Å²	34	99.9 Å²	99.9	18%	0.182	49%	0.493	C	S	.	.			trans	-74.2	84.1	-179.4	-172.6	39.5	0	0	0	111.2	Y35 R53 K54 S55	Y35-D38 PolarHBondContact O-N 3.18Å; D38-R53 WeakPolarHBondContact OD2-CB 3.16Å; D38-R53 WeakPolarHBondContact OD2-CD 3.34Å; D38-R53 WeakPolarHBondContact OD2-CG 3.5Å; D38-R53 IonicContact OD2-CZ 3.32Å; D38-R53 IonicContact OD2-NE 3.95Å; D38-R53 IonicContact OD2-NH1 4Å; D38-R53 PolarHBondContact OD2-NH1 3.37Å; D38-K54 PolarHBondContact OD1-N 3.19Å; D38-S55 WeakPolarHBondContact OD1-CB 3.24Å; D38-S55 PolarHBondContact OD1-N 3.46Å; D38-S55 PolarHBondContact OD1-OG 3.49Å; D38-S55 PolarHBondContact OD2-OG 3.27Å
39	R	83	Confident	73.4	Confident	195 Å²	195	102.2 Å²	102.2	74%	0.736	49%	0.488	S	S	*	.			trans	-74	143.2	-179.5	-68.1	-178.2	177.9	177.9	-1	110.3	K37 K54	K37-R39 VanDerWaalsContact C-N 3.32Å; K37-R39 PolarHBondContact O-N 2.88Å; R39-K54 PolarHBondContact O-N 3.38Å
40	K	89.7	Confident	75.6	Confident	150 Å²	150	95.9 Å²	95.9	65%	0.652	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68	138.2	165.3	-70.4	-173.2	175.7	-170	0	109.5	T52	K40-T52 CarbonylContact C-O 3.56Å; K40-T52 WeakPolarHBondContact CA-O 3.44Å
41	I	91.9	Very high	77.8	Confident	16 Å²	16	96.1 Å²	96.1	8%	0.082	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	137.1	174.7	-67.1	-178.4	0	0	0	107.8	I43 E51 T52 K54 L57 Y81	I41-I43 HydrophobicContact CG2-CG1 4.15Å; I41-E51 WeakPolarHBondContact O-CA 3.41Å; I41-T52 PolarHBondContact N-O 3.04Å; I41-T52 PolarHBondContact O-N 2.85Å; I41-K54 HydrophobicContact CD1-CB 3.73Å; I41-K54 HydrophobicContact CD1-CD 4.42Å; I41-K54 HydrophobicContact CD1-CG 3.79Å; I41-K54 HydrophobicContact CG1-CB 4.24Å; I41-L57 HydrophobicContact CD1-CD1 4.24Å; I41-L57 HydrophobicContact CG2-CD1 4.44Å; I41-Y81 HydrophobicContact CG2-CD2 3.48Å; I41-Y81 VanDerWaalsContact CG2-CD2 3.48Å; I41-Y81 HydrophobicContact CG2-CE2 3.47Å; I41-Y81 VanDerWaalsContact CG2-CE2 3.47Å
42	V	94.5	Very high	79.8	Confident	43 Å²	43	90.3 Å²	90.3	26%	0.261	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	125.5	175.7	-174.4	0	0	0	0	108.4	R49 E51 E80 Y81	V42-R49 HydrophobicContact CG1-CB 4.24Å; V42-R49 HydrophobicContact CG1-CG 4.36Å; V42-E51 HydrophobicContact CG2-CG 4.32Å; V42-E80 HydrophobicContact CB-CB 4.06Å; V42-E80 HydrophobicContact CG1-CB 4.09Å; V42-Y81 PolarHBondContact O-N 3.01Å
43	I	96.1	Very high	82.1	Confident	1 Å²	1	92 Å²	92	1%	0.005	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	115.7	176.3	-62	159	0	0	0	107.6	I41 V45 F50 T52 L57 L65 Y81 F83 F90 M94	I41-I43 HydrophobicContact CG2-CG1 4.15Å; I43-V45 HydrophobicContact CG2-CG2 3.97Å; I43-F50 PolarHBondContact N-O 3.32Å; I43-F50 PolarHBondContact O-N 2.68Å; I43-T52 HydrophobicContact CD1-CG2 4.34Å; I43-L57 HydrophobicContact CD1-CD1 4.09Å; I43-L65 HydrophobicContact CD1-CD1 4.27Å; I43-L65 HydrophobicContact CD1-CD2 4.28Å; I43-Y81 CarbonylContact C-O 3.43Å; I43-Y81 WeakPolarHBondContact CA-O 3.45Å; I43-Y81 HydrophobicContact CG1-CD2 4.48Å; I43-F83 HydrophobicContact CG2-CD2 3.68Å; I43-F83 HydrophobicContact CG2-CE2 3.75Å; I43-F90 HydrophobicContact CB-CZ 4.4Å; I43-F90 HydrophobicContact CD1-CZ 4.32Å; I43-F90 HydrophobicContact CG2-CE1 3.98Å; I43-F90 HydrophobicContact CG2-CE2 4.45Å; I43-F90 HydrophobicContact CG2-CZ 3.63Å; I43-M94 HydrophobicContact CD1-CE 3.59Å
44	N	95.8	Very high	84.2	Confident	12 Å²	12	87.1 Å²	87.1	6%	0.064	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	114.9	178.7	-177.8	-2.5	0	0	0	109.7	G47 R49 E80 Y81 F82 F83	N44-G47 WeakPolarHBondContact OD1-CA 3.44Å; N44-G47 PolarHBondContact OD1-N 2.92Å; N44-R49 HydrophobicContact CB-CG 4.36Å; N44-E80 HydrophobicContact CB-CG 3.89Å; N44-E80 PolarHBondContact ND2-OE1 3.31Å; N44-Y81 PolarHBondContact N-O 3.24Å; N44-F82 HydrophobicContact CB-CD2 4.22Å; N44-F82 CarbonylContact O-C 3.51Å; N44-F82 WeakPolarHBondContact O-CA 3.35Å; N44-F83 PolarHBondContact O-N 3.25Å
45	V	95.9	Very high	86.2	Confident	0 Å²	0	80.6 Å²	80.6	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	105.9	178.8	-174.2	0	0	0	0	109	I43 G47 R48 F50 F83 R85 P87 F90	I43-V45 HydrophobicContact CG2-CG2 3.97Å; V45-G47 PolarHBondContact O-N 3.25Å; V45-R48 PolarHBondContact N-O 3.48Å; V45-R48 PolarHBondContact O-N 3.42Å; V45-F50 HydrophobicContact CB-CD2 4.5Å; V45-F50 HydrophobicContact CB-CE2 4.29Å; V45-F50 HydrophobicContact CG2-CD2 4.16Å; V45-F50 HydrophobicContact CG2-CE2 4.33Å; V45-F83 CarbonylContact C-O 3.57Å; V45-F83 VanDerWaalsContact CA-O 3.3Å; V45-F83 WeakPolarHBondContact CA-O 3.41Å; V45-F83 HydrophobicContact CG2-CB 4.39Å; V45-R85 HydrophobicContact CG1-CB 4.25Å; V45-R85 VanDerWaalsContact CG1-O 3.25Å; V45-R85 WeakPolarHBondContact CG1-O 3.33Å; V45-P87 HydrophobicContact CB-CB 4.29Å; V45-P87 HydrophobicContact CG1-CB 4.13Å; V45-F90 HydrophobicContact CB-CD1 4.47Å; V45-F90 HydrophobicContact CB-CG 4.43Å; V45-F90 HydrophobicContact CG1-CB 4.18Å; V45-F90 HydrophobicContact CG1-CG 4.41Å; V45-F90 HydrophobicContact CG2-CB 4.25Å; V45-F90 HydrophobicContact CG2-CD1 3.55Å; V45-F90 HydrophobicContact CG2-CD2 3.94Å; V45-F90 HydrophobicContact CG2-CE1 3.76Å; V45-F90 HydrophobicContact CG2-CE2 4.14Å; V45-F90 HydrophobicContact CG2-CG 3.63Å; V45-F90 HydrophobicContact CG2-CZ 4.05Å
46	S	92.4	Very high	88.3	Confident	54 Å²	54	74.5 Å²	74.5	38%	0.378	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	42.3	39.9	-175.8	-60.2	0	0	0	0	114.1	F83 D84 R85	S46-F83 PolarHBondContact N-O 3.46Å; S46-D84 WeakPolarHBondContact OG-CA 3.49Å; S46-D84 PolarHBondContact OG-OD1 3.08Å; S46-R85 PolarHBondContact OG-N 3.36Å; S46-R85 PolarHBondContact OG-O 2.85Å
47	G	90.7	Very high	90.3	Very high	51 Å²	51	68.5 Å²	68.5	53%	0.526	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	101	-16.8	179	0	0	0	0	0	115.2	N44 V45	N44-G47 WeakPolarHBondContact OD1-CA 3.44Å; N44-G47 PolarHBondContact OD1-N 2.92Å; V45-G47 PolarHBondContact O-N 3.25Å
48	R	95.2	Very high	91.9	Very high	110 Å²	110	64.8 Å²	64.8	42%	0.415	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	116.6	175.2	-170.4	-179.9	-76.7	-178.9	-6.4	110	V45 F50 P87 E88	V45-R48 PolarHBondContact N-O 3.48Å; V45-R48 PolarHBondContact O-N 3.42Å; R48-F50 HydrophobicContact CB-CE2 4.05Å; R48-F50 HydrophobicContact CG-CD2 4.43Å; R48-F50 HydrophobicContact CG-CE2 3.72Å; R48-F50 HydrophobicContact CG-CZ 4.05Å; R48-F50 WeakPolarHBondContact O-CD2 3.47Å; R48-P87 HydrophobicContact CB-CB 3.71Å; R48-P87 HydrophobicContact CG-CB 4.44Å; R48-E88 IonicContact CZ-OE2 2.71Å; R48-E88 IonicContact NH1-OE2 3Å; R48-E88 PolarHBondContact NH1-OE2 3.34Å; R48-E88 IonicContact NH2-OE2 2.74Å; R48-E88 PolarHBondContact NH2-OE2 3.09Å
49	R	94.9	Very high	92.7	Very high	161 Å²	161	67.7 Å²	67.7	61%	0.608	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.8	127.3	179.4	-63.9	-173.8	178.1	101.1	4.4	111.8	V42 N44 E80	V42-R49 HydrophobicContact CG1-CB 4.24Å; V42-R49 HydrophobicContact CG1-CG 4.36Å; N44-R49 HydrophobicContact CB-CG 4.36Å; R49-E80 IonicContact CZ-OE2 3.08Å; R49-E80 IonicContact NE-OE2 2.63Å; R49-E80 PolarHBondContact NE-OE2 3.43Å; R49-E80 IonicContact NH2-OE2 2.67Å
50	F	95.9	Very high	93.3	Very high	25 Å²	25	60.5 Å²	60.5	11%	0.11	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	131.5	172.1	-67.4	-94.5	0	0	0	109.2	I43 V45 R48 P87 F90 R91 M94	I43-F50 PolarHBondContact N-O 3.32Å; I43-F50 PolarHBondContact O-N 2.68Å; V45-F50 HydrophobicContact CB-CD2 4.5Å; V45-F50 HydrophobicContact CB-CE2 4.29Å; V45-F50 HydrophobicContact CG2-CD2 4.16Å; V45-F50 HydrophobicContact CG2-CE2 4.33Å; R48-F50 HydrophobicContact CB-CE2 4.05Å; R48-F50 HydrophobicContact CG-CD2 4.43Å; R48-F50 HydrophobicContact CG-CE2 3.72Å; R48-F50 HydrophobicContact CG-CZ 4.05Å; R48-F50 WeakPolarHBondContact O-CD2 3.47Å; F50-P87 VanDerWaalsContact CZ-O 3.26Å; F50-P87 WeakPolarHBondContact CZ-O 3.32Å; F50-F90 HydrophobicContact CB-CE1 4.05Å; F50-F90 HydrophobicContact CD1-CD1 4.18Å; F50-F90 HydrophobicContact CD1-CE1 4.35Å; F50-F90 AromaticContact CD2-CD1 3.56Å; F50-F90 HydrophobicContact CD2-CD1 3.56Å; F50-F90 AromaticContact CD2-CE1 3.79Å; F50-F90 HydrophobicContact CD2-CE1 3.79Å; F50-F90 HydrophobicContact CE1-CD1 4.23Å; F50-F90 AromaticContact CE2-CD1 3.63Å; F50-F90 HydrophobicContact CE2-CD1 3.63Å; F50-F90 HydrophobicContact CE2-CE1 4.33Å; F50-F90 AromaticContact CG-CD1 3.85Å; F50-F90 HydrophobicContact CG-CD1 3.85Å; F50-F90 AromaticContact CG-CE1 3.8Å; F50-F90 HydrophobicContact CG-CE1 3.8Å; F50-F90 AromaticContact CZ-CD1 3.97Å; F50-F90 HydrophobicContact CZ-CD1 3.97Å; F50-R91 HydrophobicContact CE1-CB 4.39Å; F50-M94 HydrophobicContact CB-CE 4.27Å
51	E	94.4	Very high	93.4	Very high	107 Å²	107	56.8 Å²	56.8	50%	0.5	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	137.5	176.6	-62.2	-171.8	-173.7	0	0	110.8	I41 V42 R98	I41-E51 WeakPolarHBondContact O-CA 3.41Å; V42-E51 HydrophobicContact CG2-CG 4.32Å; E51-R98 PolarHBondContact O-NH2 2.92Å
52	T	93.5	Very high	93.4	Very high	13 Å²	13	63.5 Å²	63.5	8%	0.08	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	176.5	174.3	-164.5	0	0	0	0	111	K40 I41 I43 L57 M94	K40-T52 CarbonylContact C-O 3.56Å; K40-T52 WeakPolarHBondContact CA-O 3.44Å; I41-T52 PolarHBondContact N-O 3.04Å; I41-T52 PolarHBondContact O-N 2.85Å; I43-T52 HydrophobicContact CD1-CG2 4.34Å; T52-L57 HydrophobicContact CG2-CD1 3.91Å; T52-L57 HydrophobicContact CG2-CD2 3.97Å; T52-L57 HydrophobicContact CG2-CG 3.83Å; T52-M94 HydrophobicContact CG2-CE 4.39Å; T52-M94 HydrophobicContact CG2-SD 4.16Å
53	R	92	Very high	93.4	Very high	134 Å²	134	61.8 Å²	61.8	51%	0.506	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	145.3	175.8	-72.9	167.4	176.5	-84.9	2.1	109.9	D38 S55 T56	D38-R53 WeakPolarHBondContact OD2-CB 3.16Å; D38-R53 WeakPolarHBondContact OD2-CD 3.34Å; D38-R53 WeakPolarHBondContact OD2-CG 3.5Å; D38-R53 IonicContact OD2-CZ 3.32Å; D38-R53 IonicContact OD2-NE 3.95Å; D38-R53 IonicContact OD2-NH1 4Å; D38-R53 PolarHBondContact OD2-NH1 3.37Å; R53-S55 PolarHBondContact O-N 3.28Å; R53-T56 WeakPolarHBondContact O-CB 3.33Å; R53-T56 PolarHBondContact O-N 2.85Å
54	K	90.7	Very high	93.3	Very high	81 Å²	81	62.4 Å²	62.4	35%	0.352	31%	0.311	S	S	.	.	H	α-helix	trans	-54.9	-42.9	175.5	-171.5	173	-163.1	-105.6	0	111.7	D38 R39 I41 T56 L57 E58	D38-K54 PolarHBondContact OD1-N 3.19Å; R39-K54 PolarHBondContact O-N 3.38Å; I41-K54 HydrophobicContact CD1-CB 3.73Å; I41-K54 HydrophobicContact CD1-CD 4.42Å; I41-K54 HydrophobicContact CD1-CG 3.79Å; I41-K54 HydrophobicContact CG1-CB 4.24Å; K54-T56 PolarHBondContact O-N 3.24Å; K54-L57 PolarHBondContact O-N 3.1Å; K54-E58 VanDerWaalsContact CE-OE1 3.29Å; K54-E58 WeakPolarHBondContact CE-OE1 3.46Å; K54-E58 HydrophobicContact CG-CG 4.25Å; K54-E58 WeakPolarHBondContact CG-OE1 3.31Å; K54-E58 IonicContact NZ-OE1 3.04Å; K54-E58 PolarHBondContact NZ-OE1 3.14Å; K54-E58 WeakPolarHBondContact O-CG 3.5Å; K54-E58 PolarHBondContact O-N 3.38Å; K54-E58 VanDerWaalsContact O-N 3.07Å
55	S	91.2	Very high	93.3	Very high	49 Å²	49	61.9 Å²	61.9	34%	0.343	31%	0.308	S	S	.	.	H	α-helix	trans	-58.6	-26.4	175.5	55	0	0	0	0	114.8	D38 R53 K59	D38-S55 WeakPolarHBondContact OD1-CB 3.24Å; D38-S55 PolarHBondContact OD1-N 3.46Å; D38-S55 PolarHBondContact OD1-OG 3.49Å; D38-S55 PolarHBondContact OD2-OG 3.27Å; R53-S55 PolarHBondContact O-N 3.28Å; S55-K59 WeakPolarHBondContact O-CG 3.46Å
56	T	93.2	Very high	93.1	Very high	21 Å²	21	62.3 Å²	62.3	13%	0.129	31%	0.313	C	S	.	.	H	α-helix	trans	-74.7	-36.3	179.7	-55.7	0	0	0	0	111.4	R53 K54 Y97 R98	R53-T56 WeakPolarHBondContact O-CB 3.33Å; R53-T56 PolarHBondContact O-N 2.85Å; K54-T56 PolarHBondContact O-N 3.24Å; T56-Y97 VanDerWaalsContact CG2-O 3.3Å; T56-Y97 WeakPolarHBondContact CG2-O 3.31Å; T56-R98 HydrophobicContact CG2-CG 4.1Å
57	L	93.6	Very high	93.1	Very high	4 Å²	4	60.8 Å²	60.8	2%	0.021	30%	0.302	C	S	.	.	H	α-helix	trans	-77.7	-39.8	177.2	-59.3	-180	0	0	0	111.7	I41 I43 T52 K54 K59 F60 L65 G66 Y97	I41-L57 HydrophobicContact CD1-CD1 4.24Å; I41-L57 HydrophobicContact CG2-CD1 4.44Å; I43-L57 HydrophobicContact CD1-CD1 4.09Å; T52-L57 HydrophobicContact CG2-CD1 3.91Å; T52-L57 HydrophobicContact CG2-CD2 3.97Å; T52-L57 HydrophobicContact CG2-CG 3.83Å; K54-L57 PolarHBondContact O-N 3.1Å; L57-K59 PolarHBondContact O-N 3.17Å; L57-F60 PolarHBondContact O-N 2.7Å; L57-F60 VanDerWaalsContact O-N 3.15Å; L57-L65 WeakPolarHBondContact CB-O 3.24Å; L57-L65 HydrophobicContact CD1-CB 4.47Å; L57-L65 HydrophobicContact CD2-CB 4.13Å; L57-G66 VanDerWaalsContact O-CA 3.28Å; L57-G66 WeakPolarHBondContact O-CA 3.43Å; L57-Y97 HydrophobicContact CD2-CD1 3.81Å; L57-Y97 HydrophobicContact CD2-CD2 4.22Å; L57-Y97 HydrophobicContact CD2-CE1 4.18Å; L57-Y97 HydrophobicContact CD2-CG 3.85Å
58	E	91.2	Very high	93	Very high	100 Å²	100	64.9 Å²	64.9	47%	0.467	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-10.7	178.6	-72.5	176.6	168.5	0	0	113.8	K54 F60	K54-E58 VanDerWaalsContact CE-OE1 3.29Å; K54-E58 WeakPolarHBondContact CE-OE1 3.46Å; K54-E58 HydrophobicContact CG-CG 4.25Å; K54-E58 WeakPolarHBondContact CG-OE1 3.31Å; K54-E58 IonicContact NZ-OE1 3.04Å; K54-E58 PolarHBondContact NZ-OE1 3.14Å; K54-E58 WeakPolarHBondContact O-CG 3.5Å; K54-E58 PolarHBondContact O-N 3.38Å; K54-E58 VanDerWaalsContact O-N 3.07Å; E58-F60 PolarHBondContact O-N 3.19Å
59	K	91.8	Very high	92.8	Very high	94 Å²	94	65.8 Å²	65.8	41%	0.409	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-30.2	171.8	-68.4	-174.7	179.3	-173	0	113.1	S55 L57 P61 E100	S55-K59 WeakPolarHBondContact O-CG 3.46Å; L57-K59 PolarHBondContact O-N 3.17Å; K59-P61 WeakPolarHBondContact O-CD 3.46Å; K59-E100 HydrophobicContact CD-CG 4.44Å; K59-E100 IonicContact NZ-OE1 3.48Å; K59-E100 PolarHBondContact NZ-OE1 3.46Å
60	F	93.9	Very high	92.5	Very high	44 Å²	44	58.9 Å²	58.9	19%	0.193	30%	0.295	C	S	.	.			trans	-126.7	72	-173.9	-60.2	-74.4	0	0	0	110.4	L57 E58 D62 T63 G66 Y96 Y97 E100	L57-F60 PolarHBondContact O-N 2.7Å; L57-F60 VanDerWaalsContact O-N 3.15Å; E58-F60 PolarHBondContact O-N 3.19Å; F60-D62 PolarHBondContact O-N 3.1Å; F60-D62 VanDerWaalsContact O-N 3.13Å; F60-T63 HydrophobicContact CB-CG2 3.88Å; F60-T63 PolarHBondContact O-N 3.31Å; F60-T63 VanDerWaalsContact O-N 3.14Å; F60-T63 PolarHBondContact O-OG1 3.42Å; F60-G66 WeakPolarHBondContact O-CA 3.38Å; F60-Y96 HydrophobicContact CD1-CE1 4.28Å; F60-Y96 WeakPolarHBondContact CD1-OH 3.24Å; F60-Y96 HydrophobicContact CD2-CE1 4.03Å; F60-Y96 HydrophobicContact CE1-CE1 4.4Å; F60-Y96 HydrophobicContact CE1-CE2 4.48Å; F60-Y96 AromaticContact CE1-CZ 3.84Å; F60-Y96 VanDerWaalsContact CE1-OH 3.28Å; F60-Y96 WeakPolarHBondContact CE1-OH 3.37Å; F60-Y96 HydrophobicContact CE2-CE1 4.17Å; F60-Y96 HydrophobicContact CG-CE1 4.08Å; F60-Y96 HydrophobicContact CZ-CE1 4.34Å; F60-Y96 HydrophobicContact CZ-CE2 4.28Å; F60-Y96 AromaticContact CZ-CZ 3.92Å; F60-Y97 HydrophobicContact CB-CD1 4.41Å; F60-Y97 HydrophobicContact CB-CE1 4.04Å; F60-Y97 AromaticContact CD2-CD1 3.75Å; F60-Y97 HydrophobicContact CD2-CD1 3.75Å; F60-Y97 HydrophobicContact CD2-CE1 4.19Å; F60-Y97 HydrophobicContact CD2-CG 4.5Å; F60-E100 HydrophobicContact CE2-CG 4.23Å; F60-E100 HydrophobicContact CZ-CB 4.14Å; F60-E100 HydrophobicContact CZ-CG 3.93Å
61	P	92.7	Very high	92.2	Very high	73 Å²	73	61.4 Å²	61.4	47%	0.474	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-19	-172.5	27.4	-36.1	0	0	0	114.2	K59 T63 S67	K59-P61 WeakPolarHBondContact O-CD 3.46Å; P61-T63 VanDerWaalsContact C-N 3.26Å; P61-T63 PolarHBondContact O-N 3.35Å; P61-S67 WeakPolarHBondContact O-CA 3.46Å; P61-S67 WeakPolarHBondContact O-CB 3.32Å; P61-S67 PolarHBondContact O-N 3.36Å
62	D	92	Very high	92	Very high	156 Å²	156	65.7 Å²	65.7	83%	0.834	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-8.7	179.7	-55.9	-35.4	0	0	0	113.3	F60	F60-D62 PolarHBondContact O-N 3.1Å; F60-D62 VanDerWaalsContact O-N 3.13Å
63	T	94.6	Very high	92	Very high	8 Å²	8	67.5 Å²	67.5	5%	0.049	33%	0.33	C	S	.	.	S	Bend	trans	-94.6	157.7	179.7	66.2	0	0	0	0	111.2	F60 P61 L65 G66 S67 Y97 I122	F60-T63 HydrophobicContact CB-CG2 3.88Å; F60-T63 PolarHBondContact O-N 3.31Å; F60-T63 VanDerWaalsContact O-N 3.14Å; F60-T63 PolarHBondContact O-OG1 3.42Å; P61-T63 VanDerWaalsContact C-N 3.26Å; P61-T63 PolarHBondContact O-N 3.35Å; T63-L65 VanDerWaalsContact C-N 3.32Å; T63-L65 PolarHBondContact O-N 2.97Å; T63-G66 PolarHBondContact O-N 3.5Å; T63-G66 PolarHBondContact OG1-N 3.17Å; T63-S67 VanDerWaalsContact O-CB 3.32Å; T63-S67 WeakPolarHBondContact O-CB 3.23Å; T63-S67 PolarHBondContact O-N 3.42Å; T63-S67 PolarHBondContact O-OG 2.81Å; T63-Y97 WeakPolarHBondContact CB-OH 3.39Å; T63-Y97 VanDerWaalsContact OG1-CE1 3.32Å; T63-Y97 WeakPolarHBondContact OG1-CE1 3.39Å; T63-Y97 PolarHBondContact OG1-OH 2.91Å; T63-I122 HydrophobicContact CG2-CG1 3.9Å
64	L	94.6	Very high	92	Very high	13 Å²	13	65 Å²	65	7%	0.068	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-43.9	-177.8	-175.9	154.7	0	0	0	112.7	S67 K70 F73 F83 Y119 F120	L64-S67 PolarHBondContact O-OG 3.11Å; L64-K70 PolarHBondContact O-N 3.26Å; L64-F73 HydrophobicContact CD1-CE2 4.13Å; L64-F73 HydrophobicContact CD2-CD2 4.36Å; L64-F73 HydrophobicContact CD2-CE2 4.24Å; L64-F83 HydrophobicContact CD2-CE1 3.66Å; L64-F83 HydrophobicContact CD2-CZ 3.72Å; L64-Y119 HydrophobicContact CD1-CE1 4.2Å; L64-Y119 WeakPolarHBondContact CD1-O 3.45Å; L64-F120 HydrophobicContact CD2-CD1 4.41Å; L64-F120 PolarHBondContact N-O 2.94Å
65	L	94.8	Very high	92	Very high	1 Å²	1	63.8 Å²	63.8	1%	0.005	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-18	-179.1	-61.7	175.3	0	0	0	113.6	I43 L57 T63 K70 F83 F90 Y97 F120	I43-L65 HydrophobicContact CD1-CD1 4.27Å; I43-L65 HydrophobicContact CD1-CD2 4.28Å; L57-L65 WeakPolarHBondContact CB-O 3.24Å; L57-L65 HydrophobicContact CD1-CB 4.47Å; L57-L65 HydrophobicContact CD2-CB 4.13Å; T63-L65 VanDerWaalsContact C-N 3.32Å; T63-L65 PolarHBondContact O-N 2.97Å; L65-K70 WeakPolarHBondContact O-CD 3.41Å; L65-F83 HydrophobicContact CD2-CE2 3.7Å; L65-F83 HydrophobicContact CD2-CZ 3.56Å; L65-F90 HydrophobicContact CD1-CE2 3.86Å; L65-F90 HydrophobicContact CD1-CZ 3.84Å; L65-Y97 HydrophobicContact CB-CE1 4.38Å; L65-Y97 HydrophobicContact CB-CE2 4.35Å; L65-Y97 HydrophobicContact CD1-CE2 3.91Å; L65-F120 HydrophobicContact CD1-CD1 4.19Å; L65-F120 HydrophobicContact CD1-CE1 4.45Å; L65-F120 HydrophobicContact CG-CD1 4.06Å; L65-F120 HydrophobicContact CG-CE1 4.46Å
66	G	92.2	Very high	91.8	Very high	10 Å²	10	66.9 Å²	66.9	10%	0.103	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-22.1	176.7	0	0	0	0	0	113.4	L57 F60 T63	L57-G66 VanDerWaalsContact O-CA 3.28Å; L57-G66 WeakPolarHBondContact O-CA 3.43Å; F60-G66 WeakPolarHBondContact O-CA 3.38Å; T63-G66 PolarHBondContact O-N 3.5Å; T63-G66 PolarHBondContact OG1-N 3.17Å
67	S	92.3	Very high	91.6	Very high	22 Å²	22	72 Å²	72	15%	0.154	37%	0.371	C	S	.	.	S	Bend	trans	-87	177.7	178.5	77.9	0	0	0	0	112.3	P61 T63 L64 E69 K70	P61-S67 WeakPolarHBondContact O-CA 3.46Å; P61-S67 WeakPolarHBondContact O-CB 3.32Å; P61-S67 PolarHBondContact O-N 3.36Å; T63-S67 VanDerWaalsContact O-CB 3.32Å; T63-S67 WeakPolarHBondContact O-CB 3.23Å; T63-S67 PolarHBondContact O-N 3.42Å; T63-S67 PolarHBondContact O-OG 2.81Å; L64-S67 PolarHBondContact O-OG 3.11Å; S67-E69 PolarHBondContact O-N 2.98Å; S67-E69 VanDerWaalsContact OG-CB 3.29Å; S67-E69 WeakPolarHBondContact OG-CB 3.19Å; S67-E69 WeakPolarHBondContact OG-CG 3.46Å; S67-E69 PolarHBondContact OG-N 3.07Å; S67-E69 VanDerWaalsContact OG-N 3.12Å; S67-K70 WeakPolarHBondContact O-CD 3.48Å; S67-K70 WeakPolarHBondContact O-CE 3.49Å; S67-K70 WeakPolarHBondContact O-CG 3.4Å
68	D	89.4	Confident	91.3	Very high	137 Å²	137	74.5 Å²	74.5	73%	0.733	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-72.5	-10	172.7	-62.5	-33.1	0	0	0	112.3	K70 D71	D68-K70 VanDerWaalsContact C-N 3.26Å; D68-K70 PolarHBondContact O-N 3.34Å; D68-D71 WeakPolarHBondContact O-CB 3.5Å; D68-D71 PolarHBondContact O-N 3.03Å; D68-D71 VanDerWaalsContact O-N 3.12Å
69	E	89.1	Confident	91.1	Very high	129 Å²	129	77.3 Å²	77.3	60%	0.603	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-63.8	-30.2	-178.9	-63.8	-177.5	168.7	0	0	112.8	S67 D71 Y72	S67-E69 PolarHBondContact O-N 2.98Å; S67-E69 VanDerWaalsContact OG-CB 3.29Å; S67-E69 WeakPolarHBondContact OG-CB 3.19Å; S67-E69 WeakPolarHBondContact OG-CG 3.46Å; S67-E69 PolarHBondContact OG-N 3.07Å; S67-E69 VanDerWaalsContact OG-N 3.12Å; E69-D71 PolarHBondContact O-N 3Å; E69-D71 VanDerWaalsContact O-N 3.13Å; E69-Y72 WeakPolarHBondContact O-CB 3.33Å; E69-Y72 PolarHBondContact O-N 3.28Å
70	K	90.3	Very high	91.2	Very high	16 Å²	16	74 Å²	74	7%	0.07	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-55.4	-29.7	174.4	71.7	-167.8	170.6	51.6	0	113	L64 L65 S67 D68 Y72 F73 Y81	L64-K70 PolarHBondContact O-N 3.26Å; L65-K70 WeakPolarHBondContact O-CD 3.41Å; S67-K70 WeakPolarHBondContact O-CD 3.48Å; S67-K70 WeakPolarHBondContact O-CE 3.49Å; S67-K70 WeakPolarHBondContact O-CG 3.4Å; D68-K70 VanDerWaalsContact C-N 3.26Å; D68-K70 PolarHBondContact O-N 3.34Å; K70-Y72 PolarHBondContact O-N 3.34Å; K70-F73 PolarHBondContact O-N 3.38Å; K70-Y81 HydrophobicContact CB-CD1 4.25Å; K70-Y81 HydrophobicContact CB-CE1 4.07Å; K70-Y81 HydrophobicContact CD-CE1 4.43Å; K70-Y81 HydrophobicContact CG-CD1 4.44Å; K70-Y81 HydrophobicContact CG-CE1 3.79Å; K70-Y81 PolarHBondContact NZ-OH 2.98Å; K70-Y81 WeakPolarHBondContact O-CD1 3.5Å; K70-Y81 WeakPolarHBondContact O-CE1 3.41Å
71	D	89.1	Confident	91.3	Very high	78 Å²	78	72.7 Å²	72.7	42%	0.417	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-66	-19.5	-176	-67.1	-14.9	0	0	0	112.4	D68 E69 F73 Q74 Y81	D68-D71 WeakPolarHBondContact O-CB 3.5Å; D68-D71 PolarHBondContact O-N 3.03Å; D68-D71 VanDerWaalsContact O-N 3.12Å; E69-D71 PolarHBondContact O-N 3Å; E69-D71 VanDerWaalsContact O-N 3.13Å; D71-F73 VanDerWaalsContact C-N 3.26Å; D71-F73 PolarHBondContact O-N 3.07Å; D71-Q74 PolarHBondContact O-N 2.8Å; D71-Y81 PolarHBondContact OD1-OH 3.49Å
72	Y	90.7	Very high	91.3	Very high	196 Å²	196	73.5 Å²	73.5	77%	0.769	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-63.7	-29.9	168.7	-177.2	-100.6	0	0	0	113.3	E69 K70	E69-Y72 WeakPolarHBondContact O-CB 3.33Å; E69-Y72 PolarHBondContact O-N 3.28Å; K70-Y72 PolarHBondContact O-N 3.34Å
73	F	92.1	Very high	91.5	Very high	52 Å²	52	66.1 Å²	66.1	23%	0.228	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-95.6	6.4	-175.4	-60.3	-85.2	0	0	0	113.3	L64 K70 D71 D75 Y81 F82 F83 Y119	L64-F73 HydrophobicContact CD1-CE2 4.13Å; L64-F73 HydrophobicContact CD2-CD2 4.36Å; L64-F73 HydrophobicContact CD2-CE2 4.24Å; K70-F73 PolarHBondContact O-N 3.38Å; D71-F73 VanDerWaalsContact C-N 3.26Å; D71-F73 PolarHBondContact O-N 3.07Å; F73-D75 PolarHBondContact O-N 3.1Å; F73-Y81 CarbonylContact O-C 3.58Å; F73-Y81 WeakPolarHBondContact O-CA 3.2Å; F73-F82 PolarHBondContact O-N 2.86Å; F73-F83 HydrophobicContact CB-CE1 4.02Å; F73-F83 HydrophobicContact CB-CE2 4.5Å; F73-F83 HydrophobicContact CB-CZ 3.94Å; F73-F83 HydrophobicContact CD1-CD1 4.08Å; F73-F83 AromaticContact CD1-CE1 3.86Å; F73-F83 HydrophobicContact CD1-CE1 3.86Å; F73-F83 AromaticContact CD2-CE1 3.73Å; F73-F83 HydrophobicContact CD2-CE1 3.73Å; F73-F83 HydrophobicContact CD2-CZ 4.09Å; F73-F83 HydrophobicContact CE1-CD1 4.41Å; F73-F83 HydrophobicContact CE1-CE1 4.24Å; F73-F83 HydrophobicContact CE2-CE1 4.12Å; F73-F83 HydrophobicContact CG-CD1 4.23Å; F73-F83 AromaticContact CG-CE1 3.58Å; F73-F83 HydrophobicContact CG-CE1 3.58Å; F73-F83 AromaticContact CG-CZ 3.97Å; F73-F83 HydrophobicContact CG-CZ 3.97Å; F73-F83 HydrophobicContact CZ-CE1 4.36Å; F73-Y119 WeakPolarHBondContact CE1-OH 3.35Å
74	Q	92.8	Very high	91.4	Very high	80 Å²	80	72 Å²	72	37%	0.374	37%	0.367	S	S	.	.	B	Isolated β-bridge	trans	-78.3	122.8	179.5	-170.1	168.8	40.4	0	0	111	D71 P76 K79 Y81	D71-Q74 PolarHBondContact O-N 2.8Å; Q74-P76 WeakPolarHBondContact O-CD 3.5Å; Q74-K79 PolarHBondContact NE2-O 3.05Å; Q74-Y81 HydrophobicContact CB-CD1 3.87Å; Q74-Y81 HydrophobicContact CB-CE1 3.75Å; Q74-Y81 HydrophobicContact CG-CD1 4.47Å; Q74-Y81 HydrophobicContact CG-CE1 4.27Å
75	D	90.1	Very high	91.4	Very high	56 Å²	56	74.4 Å²	74.4	30%	0.299	38%	0.375	S	S	.	.			trans	-70.9	121.4	169.6	169.5	19.7	0	0	0	109.5	F73 V77 S78 K79 E80	F73-D75 PolarHBondContact O-N 3.1Å; D75-V77 PolarHBondContact O-N 3.37Å; D75-V77 PolarHBondContact OD1-N 3.42Å; D75-S78 WeakPolarHBondContact CB-OG 3.39Å; D75-S78 VanDerWaalsContact CG-OG 3.29Å; D75-S78 VanDerWaalsContact OD2-CB 3.29Å; D75-S78 WeakPolarHBondContact OD2-CB 3.5Å; D75-S78 PolarHBondContact OD2-N 3.25Å; D75-S78 PolarHBondContact OD2-OG 2.96Å; D75-K79 WeakPolarHBondContact O-CA 3.48Å; D75-K79 PolarHBondContact O-N 3.26Å; D75-E80 PolarHBondContact N-O 2.9Å
76	P	87.2	Confident	91.3	Very high	115 Å²	115	77.3 Å²	77.3	75%	0.747	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-25.6	-178.9	24.2	-35	0	0	0	113.8	Q74	Q74-P76 WeakPolarHBondContact O-CD 3.5Å
77	V	88.3	Confident	91.4	Very high	129 Å²	129	78.5 Å²	78.5	78%	0.782	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-59	-176.7	-177.7	0	0	0	0	111	D75 K79	D75-V77 PolarHBondContact O-N 3.37Å; D75-V77 PolarHBondContact OD1-N 3.42Å; V77-K79 VanDerWaalsContact C-N 3.33Å
78	S	87.4	Confident	91.4	Very high	55 Å²	55	79.9 Å²	79.9	39%	0.385	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-17.3	-177.6	62.5	0	0	0	0	113.6	D75 E80	D75-S78 WeakPolarHBondContact CB-OG 3.39Å; D75-S78 VanDerWaalsContact CG-OG 3.29Å; D75-S78 VanDerWaalsContact OD2-CB 3.29Å; D75-S78 WeakPolarHBondContact OD2-CB 3.5Å; D75-S78 PolarHBondContact OD2-N 3.25Å; D75-S78 PolarHBondContact OD2-OG 2.96Å; S78-E80 PolarHBondContact O-N 3.15Å; S78-E80 VanDerWaalsContact OG-CG 3.3Å; S78-E80 WeakPolarHBondContact OG-CG 3.44Å; S78-E80 PolarHBondContact OG-N 3.4Å
79	K	88.4	Confident	91.7	Very high	159 Å²	159	73.5 Å²	73.5	69%	0.691	37%	0.367	S	S	*	.			trans	60.2	12.6	-170.7	-55.7	-176.6	179.5	179	0	114.1	Q74 D75 V77	Q74-K79 PolarHBondContact NE2-O 3.05Å; D75-K79 WeakPolarHBondContact O-CA 3.48Å; D75-K79 PolarHBondContact O-N 3.26Å; V77-K79 VanDerWaalsContact C-N 3.33Å
80	E	93.4	Very high	92	Very high	25 Å²	25	67.3 Å²	67.3	12%	0.117	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-89.9	154.3	174.7	86.3	-165	172.9	0	0	110.7	V42 N44 R49 D75 S78	V42-E80 HydrophobicContact CB-CB 4.06Å; V42-E80 HydrophobicContact CG1-CB 4.09Å; N44-E80 HydrophobicContact CB-CG 3.89Å; N44-E80 PolarHBondContact ND2-OE1 3.31Å; R49-E80 IonicContact CZ-OE2 3.08Å; R49-E80 IonicContact NE-OE2 2.63Å; R49-E80 PolarHBondContact NE-OE2 3.43Å; R49-E80 IonicContact NH2-OE2 2.67Å; D75-E80 PolarHBondContact N-O 2.9Å; S78-E80 PolarHBondContact O-N 3.15Å; S78-E80 VanDerWaalsContact OG-CG 3.3Å; S78-E80 WeakPolarHBondContact OG-CG 3.44Å; S78-E80 PolarHBondContact OG-N 3.4Å
81	Y	94.9	Very high	92.2	Very high	17 Å²	17	71.2 Å²	71.2	7%	0.067	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	118.6	176.3	-65.7	-83.6	0	0	0	109.6	I41 V42 I43 N44 K70 D71 F73 Q74	I41-Y81 HydrophobicContact CG2-CD2 3.48Å; I41-Y81 VanDerWaalsContact CG2-CD2 3.48Å; I41-Y81 HydrophobicContact CG2-CE2 3.47Å; I41-Y81 VanDerWaalsContact CG2-CE2 3.47Å; V42-Y81 PolarHBondContact O-N 3.01Å; I43-Y81 CarbonylContact C-O 3.43Å; I43-Y81 WeakPolarHBondContact CA-O 3.45Å; I43-Y81 HydrophobicContact CG1-CD2 4.48Å; N44-Y81 PolarHBondContact N-O 3.24Å; K70-Y81 HydrophobicContact CB-CD1 4.25Å; K70-Y81 HydrophobicContact CB-CE1 4.07Å; K70-Y81 HydrophobicContact CD-CE1 4.43Å; K70-Y81 HydrophobicContact CG-CD1 4.44Å; K70-Y81 HydrophobicContact CG-CE1 3.79Å; K70-Y81 PolarHBondContact NZ-OH 2.98Å; K70-Y81 WeakPolarHBondContact O-CD1 3.5Å; K70-Y81 WeakPolarHBondContact O-CE1 3.41Å; D71-Y81 PolarHBondContact OD1-OH 3.49Å; F73-Y81 CarbonylContact O-C 3.58Å; F73-Y81 WeakPolarHBondContact O-CA 3.2Å; Q74-Y81 HydrophobicContact CB-CD1 3.87Å; Q74-Y81 HydrophobicContact CB-CE1 3.75Å; Q74-Y81 HydrophobicContact CG-CD1 4.47Å; Q74-Y81 HydrophobicContact CG-CE1 4.27Å
82	F	94.6	Very high	92.4	Very high	90 Å²	90	69.2 Å²	69.2	40%	0.395	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	128.4	-175.6	-179.7	-100.2	0	0	0	112.6	N44 F73 D84	N44-F82 HydrophobicContact CB-CD2 4.22Å; N44-F82 CarbonylContact O-C 3.51Å; N44-F82 WeakPolarHBondContact O-CA 3.35Å; F73-F82 PolarHBondContact O-N 2.86Å; F82-D84 HydrophobicContact CE1-CB 4.06Å; F82-D84 HydrophobicContact CZ-CB 4.29Å
83	F	95	Very high	92.7	Very high	1 Å²	1	59.9 Å²	59.9	0%	0.004	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	125.9	174.4	-62.5	-85.8	0	0	0	110.1	I43 N44 V45 S46 L64 L65 F73 R85 Y119 F120	I43-F83 HydrophobicContact CG2-CD2 3.68Å; I43-F83 HydrophobicContact CG2-CE2 3.75Å; N44-F83 PolarHBondContact O-N 3.25Å; V45-F83 CarbonylContact C-O 3.57Å; V45-F83 VanDerWaalsContact CA-O 3.3Å; V45-F83 WeakPolarHBondContact CA-O 3.41Å; V45-F83 HydrophobicContact CG2-CB 4.39Å; S46-F83 PolarHBondContact N-O 3.46Å; L64-F83 HydrophobicContact CD2-CE1 3.66Å; L64-F83 HydrophobicContact CD2-CZ 3.72Å; L65-F83 HydrophobicContact CD2-CE2 3.7Å; L65-F83 HydrophobicContact CD2-CZ 3.56Å; F73-F83 HydrophobicContact CB-CE1 4.02Å; F73-F83 HydrophobicContact CB-CE2 4.5Å; F73-F83 HydrophobicContact CB-CZ 3.94Å; F73-F83 HydrophobicContact CD1-CD1 4.08Å; F73-F83 AromaticContact CD1-CE1 3.86Å; F73-F83 HydrophobicContact CD1-CE1 3.86Å; F73-F83 AromaticContact CD2-CE1 3.73Å; F73-F83 HydrophobicContact CD2-CE1 3.73Å; F73-F83 HydrophobicContact CD2-CZ 4.09Å; F73-F83 HydrophobicContact CE1-CD1 4.41Å; F73-F83 HydrophobicContact CE1-CE1 4.24Å; F73-F83 HydrophobicContact CE2-CE1 4.12Å; F73-F83 HydrophobicContact CG-CD1 4.23Å; F73-F83 AromaticContact CG-CE1 3.58Å; F73-F83 HydrophobicContact CG-CE1 3.58Å; F73-F83 AromaticContact CG-CZ 3.97Å; F73-F83 HydrophobicContact CG-CZ 3.97Å; F73-F83 HydrophobicContact CZ-CE1 4.36Å; F83-R85 PolarHBondContact O-N 3.08Å; F83-Y119 AromaticContact CD1-CE1 3.95Å; F83-Y119 HydrophobicContact CD1-CE1 3.95Å; F83-Y119 HydrophobicContact CE1-CE1 4.28Å; F83-F120 HydrophobicContact CD1-CE1 4.11Å; F83-F120 HydrophobicContact CE1-CE1 4.15Å; F83-F120 HydrophobicContact CG-CE1 4.39Å; F83-F120 HydrophobicContact CZ-CE1 4.47Å
84	D	93.8	Very high	92.8	Very high	132 Å²	132	57.5 Å²	57.5	71%	0.706	29%	0.292	S	S	*	.			trans	-89.2	75.3	173.9	-165.8	24	0	0	0	110.4	S46 F82	S46-D84 WeakPolarHBondContact OG-CA 3.49Å; S46-D84 PolarHBondContact OG-OD1 3.08Å; F82-D84 HydrophobicContact CE1-CB 4.06Å; F82-D84 HydrophobicContact CZ-CB 4.29Å
85	R	92.8	Very high	92.8	Very high	62 Å²	62	57.5 Å²	57.5	23%	0.234	29%	0.292	C	S	.	.	S	Bend	trans	-145.1	175.7	-171.9	-70.1	-162.4	138.4	-111	-12.1	111.8	V45 S46 F83 P87 E116 Y119	V45-R85 HydrophobicContact CG1-CB 4.25Å; V45-R85 VanDerWaalsContact CG1-O 3.25Å; V45-R85 WeakPolarHBondContact CG1-O 3.33Å; S46-R85 PolarHBondContact OG-N 3.36Å; S46-R85 PolarHBondContact OG-O 2.85Å; F83-R85 PolarHBondContact O-N 3.08Å; R85-P87 WeakPolarHBondContact O-CD 3.39Å; R85-E116 IonicContact CZ-OE1 2.91Å; R85-E116 IonicContact CZ-OE2 3.78Å; R85-E116 IonicContact NH1-OE1 3.85Å; R85-E116 PolarHBondContact NH1-OE1 3.27Å; R85-E116 IonicContact NH1-OE2 2.86Å; R85-E116 PolarHBondContact NH1-OE2 3.02Å; R85-Y119 VanDerWaalsContact CZ-CB 3.43Å; R85-Y119 VanDerWaalsContact NE-CD1 3.3Å; R85-Y119 VanDerWaalsContact NH1-CB 3.35Å
86	D	92.6	Very high	93	Very high	62 Å²	62	55.1 Å²	55.1	33%	0.332	28%	0.279	S	S	.	.			trans	-67.5	112.3	-177.5	-170.9	-47.2	0	0	0	111.7	E88 L89 F90	D86-E88 PolarHBondContact O-N 2.87Å; D86-E88 WeakPolarHBondContact OD1-CA 3.5Å; D86-E88 VanDerWaalsContact OD1-CB 3.27Å; D86-E88 WeakPolarHBondContact OD1-CB 3.49Å; D86-E88 PolarHBondContact OD1-N 3.33Å; D86-L89 HydrophobicContact CB-CB 4.2Å; D86-L89 HydrophobicContact CB-CD1 4.21Å; D86-L89 HydrophobicContact CB-CG 4.32Å; D86-L89 PolarHBondContact OD1-N 2.63Å; D86-F90 WeakPolarHBondContact O-CB 3.33Å; D86-F90 PolarHBondContact O-N 3.03Å; D86-F90 VanDerWaalsContact O-N 3.1Å
87	P	94.5	Very high	93.4	Very high	35 Å²	35	49.7 Å²	49.7	23%	0.227	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-15	-177.8	29.5	-34.9	0	0	0	113.8	V45 R48 F50 R85	V45-P87 HydrophobicContact CB-CB 4.29Å; V45-P87 HydrophobicContact CG1-CB 4.13Å; R48-P87 HydrophobicContact CB-CB 3.71Å; R48-P87 HydrophobicContact CG-CB 4.44Å; F50-P87 VanDerWaalsContact CZ-O 3.26Å; F50-P87 WeakPolarHBondContact CZ-O 3.32Å; R85-P87 WeakPolarHBondContact O-CD 3.39Å
88	E	93.7	Very high	93.7	Very high	51 Å²	51	49.1 Å²	49.1	24%	0.238	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-41.7	-178.3	-163.4	55.7	-130.3	0	0	111.1	R48 D86 F90 R91 Y108	R48-E88 IonicContact CZ-OE2 2.71Å; R48-E88 IonicContact NH1-OE2 3Å; R48-E88 PolarHBondContact NH1-OE2 3.34Å; R48-E88 IonicContact NH2-OE2 2.74Å; R48-E88 PolarHBondContact NH2-OE2 3.09Å; D86-E88 PolarHBondContact O-N 2.87Å; D86-E88 WeakPolarHBondContact OD1-CA 3.5Å; D86-E88 VanDerWaalsContact OD1-CB 3.27Å; D86-E88 WeakPolarHBondContact OD1-CB 3.49Å; D86-E88 PolarHBondContact OD1-N 3.33Å; E88-F90 VanDerWaalsContact C-N 3.33Å; E88-R91 VanDerWaalsContact O-CB 3.26Å; E88-R91 WeakPolarHBondContact O-CB 3.35Å; E88-R91 PolarHBondContact O-N 2.89Å; E88-R91 IonicContact OE1-NE 3.47Å; E88-Y108 HydrophobicContact CB-CE1 4.22Å; E88-Y108 HydrophobicContact CG-CE1 3.83Å; E88-Y108 HydrophobicContact CG-CE2 4.31Å; E88-Y108 VanDerWaalsContact CG-CZ 3.42Å; E88-Y108 WeakPolarHBondContact CG-OH 3.46Å
89	L	94.1	Very high	93.9	Very high	3 Å²	3	48.5 Å²	48.5	2%	0.016	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-37.3	169.3	-69	177.9	0	0	0	111.8	D86 R91 Y92 I93 P105 Y108 A112 Y113 E116	D86-L89 HydrophobicContact CB-CB 4.2Å; D86-L89 HydrophobicContact CB-CD1 4.21Å; D86-L89 HydrophobicContact CB-CG 4.32Å; D86-L89 PolarHBondContact OD1-N 2.63Å; L89-R91 PolarHBondContact O-N 3.48Å; L89-R91 VanDerWaalsContact O-N 3.09Å; L89-Y92 WeakPolarHBondContact O-CB 3.3Å; L89-Y92 PolarHBondContact O-N 3.22Å; L89-I93 PolarHBondContact O-N 3.33Å; L89-P105 HydrophobicContact CD2-CG 4.41Å; L89-Y108 HydrophobicContact CD2-CD1 3.72Å; L89-Y108 HydrophobicContact CD2-CD2 4.35Å; L89-Y108 HydrophobicContact CD2-CG 3.63Å; L89-Y108 HydrophobicContact CG-CD1 4.18Å; L89-A112 HydrophobicContact CD1-CB 4.11Å; L89-Y113 HydrophobicContact CD2-CD2 4.09Å; L89-E116 HydrophobicContact CB-CG 3.83Å; L89-E116 HydrophobicContact CD1-CG 3.55Å; L89-E116 HydrophobicContact CG-CG 4.34Å
90	F	95.7	Very high	94	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-57.4	-27.2	176.8	-172.5	-101.4	0	0	0	113.4	I43 V45 F50 L65 D86 E88 Y92 I93 M94 F120	I43-F90 HydrophobicContact CB-CZ 4.4Å; I43-F90 HydrophobicContact CD1-CZ 4.32Å; I43-F90 HydrophobicContact CG2-CE1 3.98Å; I43-F90 HydrophobicContact CG2-CE2 4.45Å; I43-F90 HydrophobicContact CG2-CZ 3.63Å; V45-F90 HydrophobicContact CB-CD1 4.47Å; V45-F90 HydrophobicContact CB-CG 4.43Å; V45-F90 HydrophobicContact CG1-CB 4.18Å; V45-F90 HydrophobicContact CG1-CG 4.41Å; V45-F90 HydrophobicContact CG2-CB 4.25Å; V45-F90 HydrophobicContact CG2-CD1 3.55Å; V45-F90 HydrophobicContact CG2-CD2 3.94Å; V45-F90 HydrophobicContact CG2-CE1 3.76Å; V45-F90 HydrophobicContact CG2-CE2 4.14Å; V45-F90 HydrophobicContact CG2-CG 3.63Å; V45-F90 HydrophobicContact CG2-CZ 4.05Å; F50-F90 HydrophobicContact CB-CE1 4.05Å; F50-F90 HydrophobicContact CD1-CD1 4.18Å; F50-F90 HydrophobicContact CD1-CE1 4.35Å; F50-F90 AromaticContact CD2-CD1 3.56Å; F50-F90 HydrophobicContact CD2-CD1 3.56Å; F50-F90 AromaticContact CD2-CE1 3.79Å; F50-F90 HydrophobicContact CD2-CE1 3.79Å; F50-F90 HydrophobicContact CE1-CD1 4.23Å; F50-F90 AromaticContact CE2-CD1 3.63Å; F50-F90 HydrophobicContact CE2-CD1 3.63Å; F50-F90 HydrophobicContact CE2-CE1 4.33Å; F50-F90 AromaticContact CG-CD1 3.85Å; F50-F90 HydrophobicContact CG-CD1 3.85Å; F50-F90 AromaticContact CG-CE1 3.8Å; F50-F90 HydrophobicContact CG-CE1 3.8Å; F50-F90 AromaticContact CZ-CD1 3.97Å; F50-F90 HydrophobicContact CZ-CD1 3.97Å; L65-F90 HydrophobicContact CD1-CE2 3.86Å; L65-F90 HydrophobicContact CD1-CZ 3.84Å; D86-F90 WeakPolarHBondContact O-CB 3.33Å; D86-F90 PolarHBondContact O-N 3.03Å; D86-F90 VanDerWaalsContact O-N 3.1Å; E88-F90 VanDerWaalsContact C-N 3.33Å; F90-Y92 PolarHBondContact O-N 2.95Å; F90-I93 HydrophobicContact CD2-CB 4.22Å; F90-I93 HydrophobicContact CD2-CG2 4.37Å; F90-I93 HydrophobicContact CE2-CG2 4.27Å; F90-I93 WeakPolarHBondContact O-CB 3.43Å; F90-I93 PolarHBondContact O-N 3.33Å; F90-M94 HydrophobicContact CE1-CB 4.29Å; F90-M94 HydrophobicContact CE1-CE 3.49Å; F90-M94 VanDerWaalsContact CE1-CE 3.49Å; F90-M94 HydrophobicContact CZ-CE 3.63Å; F90-M94 WeakPolarHBondContact O-CB 3.35Å; F90-M94 PolarHBondContact O-N 3.11Å; F90-F120 HydrophobicContact CD2-CE1 4.06Å; F90-F120 AromaticContact CD2-CE2 3.7Å; F90-F120 HydrophobicContact CD2-CE2 3.7Å; F90-F120 AromaticContact CD2-CZ 3.43Å; F90-F120 HydrophobicContact CD2-CZ 3.43Å; F90-F120 VanDerWaalsContact CD2-CZ 3.43Å; F90-F120 HydrophobicContact CE2-CD1 4.34Å; F90-F120 AromaticContact CE2-CE1 3.65Å; F90-F120 HydrophobicContact CE2-CE1 3.65Å; F90-F120 HydrophobicContact CE2-CE2 4.12Å; F90-F120 AromaticContact CE2-CZ 3.53Å; F90-F120 HydrophobicContact CE2-CZ 3.53Å
91	R	94.7	Very high	94	Very high	97 Å²	97	53.3 Å²	53.3	37%	0.366	24%	0.24	S	C	.	.	H	α-helix	trans	-56.5	-38.6	175	-170.1	-175.7	62.6	72.6	-6	111.9	F50 E88 L89 E95	F50-R91 HydrophobicContact CE1-CB 4.39Å; E88-R91 VanDerWaalsContact O-CB 3.26Å; E88-R91 WeakPolarHBondContact O-CB 3.35Å; E88-R91 PolarHBondContact O-N 2.89Å; E88-R91 IonicContact OE1-NE 3.47Å; L89-R91 PolarHBondContact O-N 3.48Å; L89-R91 VanDerWaalsContact O-N 3.09Å; R91-E95 WeakPolarHBondContact O-CB 3.47Å; R91-E95 PolarHBondContact O-N 2.64Å
92	Y	94.2	Very high	93.9	Very high	37 Å²	37	52.5 Å²	52.5	15%	0.145	24%	0.237	C	C	.	.	H	α-helix	trans	-74.6	-37.2	178.6	-64.8	-89.9	0	0	0	112	L89 F90 M94 E95 Y96 P105 Y108	L89-Y92 WeakPolarHBondContact O-CB 3.3Å; L89-Y92 PolarHBondContact O-N 3.22Å; F90-Y92 PolarHBondContact O-N 2.95Å; Y92-M94 VanDerWaalsContact C-N 3.33Å; Y92-M94 PolarHBondContact O-N 2.95Å; Y92-E95 PolarHBondContact O-N 3.06Å; Y92-Y96 PolarHBondContact O-N 3.45Å; Y92-Y96 VanDerWaalsContact O-N 3.08Å; Y92-P105 HydrophobicContact CD1-CB 4.44Å; Y92-P105 HydrophobicContact CD1-CG 3.82Å; Y92-P105 HydrophobicContact CD2-CB 4.16Å; Y92-P105 HydrophobicContact CD2-CG 3.61Å; Y92-P105 HydrophobicContact CE1-CB 3.94Å; Y92-P105 HydrophobicContact CE1-CG 3.83Å; Y92-P105 HydrophobicContact CE2-CB 3.62Å; Y92-P105 HydrophobicContact CE2-CG 3.61Å; Y92-P105 HydrophobicContact CG-CG 3.69Å; Y92-P105 VanDerWaalsContact CZ-CB 3.46Å; Y92-Y108 HydrophobicContact CE2-CD2 4.43Å; Y92-Y108 HydrophobicContact CE2-CE2 4.42Å
93	I	95.5	Very high	93.8	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-58.3	-47.8	171.4	-55.7	-60.7	0	0	0	110	L89 F90 E95 Y96 Y97 Y113 L117 F120 I122	L89-I93 PolarHBondContact O-N 3.33Å; F90-I93 HydrophobicContact CD2-CB 4.22Å; F90-I93 HydrophobicContact CD2-CG2 4.37Å; F90-I93 HydrophobicContact CE2-CG2 4.27Å; F90-I93 WeakPolarHBondContact O-CB 3.43Å; F90-I93 PolarHBondContact O-N 3.33Å; I93-E95 VanDerWaalsContact C-N 3.35Å; I93-E95 PolarHBondContact O-N 2.94Å; I93-Y96 WeakPolarHBondContact O-CB 3.24Å; I93-Y96 PolarHBondContact O-N 2.96Å; I93-Y97 HydrophobicContact CG2-CE2 4.04Å; I93-Y97 WeakPolarHBondContact O-CD2 3.35Å; I93-Y113 HydrophobicContact CD1-CE2 4.33Å; I93-L117 HydrophobicContact CD1-CD2 3.53Å; I93-L117 HydrophobicContact CD1-CG 4.29Å; I93-F120 HydrophobicContact CB-CD2 4.42Å; I93-F120 HydrophobicContact CD1-CD2 4.23Å; I93-F120 HydrophobicContact CG1-CD2 3.88Å; I93-F120 HydrophobicContact CG1-CE2 4.31Å; I93-F120 HydrophobicContact CG2-CB 4.05Å; I93-F120 HydrophobicContact CG2-CD2 3.88Å; I93-F120 HydrophobicContact CG2-CG 3.88Å; I93-I122 HydrophobicContact CD1-CD1 4.18Å; I93-I122 HydrophobicContact CG2-CD1 3.83Å
94	M	94.9	Very high	93.8	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-64.1	-37.9	177.7	-174.3	56.3	59.2	0	0	112.6	I43 F50 T52 F90 Y92 Y96 Y97 R98	I43-M94 HydrophobicContact CD1-CE 3.59Å; F50-M94 HydrophobicContact CB-CE 4.27Å; T52-M94 HydrophobicContact CG2-CE 4.39Å; T52-M94 HydrophobicContact CG2-SD 4.16Å; F90-M94 HydrophobicContact CE1-CB 4.29Å; F90-M94 HydrophobicContact CE1-CE 3.49Å; F90-M94 VanDerWaalsContact CE1-CE 3.49Å; F90-M94 HydrophobicContact CZ-CE 3.63Å; F90-M94 WeakPolarHBondContact O-CB 3.35Å; F90-M94 PolarHBondContact O-N 3.11Å; Y92-M94 VanDerWaalsContact C-N 3.33Å; Y92-M94 PolarHBondContact O-N 2.95Å; M94-Y96 VanDerWaalsContact C-N 3.29Å; M94-Y96 PolarHBondContact O-N 3.49Å; M94-Y97 PolarHBondContact O-N 3.23Å; M94-R98 WeakPolarHBondContact O-CG 3.36Å; M94-R98 PolarHBondContact O-N 2.96Å
95	E	93.4	Very high	93.7	Very high	80 Å²	80	46 Å²	46	37%	0.374	20%	0.204	S	C	.	.	H	α-helix	trans	-64.8	-33.2	177.2	-167.7	58.4	-147.1	0	0	112.1	R91 Y92 I93 R98 S99	R91-E95 WeakPolarHBondContact O-CB 3.47Å; R91-E95 PolarHBondContact O-N 2.64Å; Y92-E95 PolarHBondContact O-N 3.06Å; I93-E95 VanDerWaalsContact C-N 3.35Å; I93-E95 PolarHBondContact O-N 2.94Å; E95-R98 PolarHBondContact O-N 3.24Å; E95-S99 WeakPolarHBondContact O-CB 3.49Å; E95-S99 PolarHBondContact O-N 3Å; E95-S99 PolarHBondContact O-OG 3.19Å
96	Y	94.8	Very high	93.5	Very high	7 Å²	7	50.7 Å²	50.7	3%	0.027	23%	0.226	C	C	.	.	H	α-helix	trans	-59.7	-45.8	173.9	168.2	-107.9	0	0	0	112.2	F60 Y92 I93 M94 R98 E100 L102 I122 I126	F60-Y96 HydrophobicContact CD1-CE1 4.28Å; F60-Y96 WeakPolarHBondContact CD1-OH 3.24Å; F60-Y96 HydrophobicContact CD2-CE1 4.03Å; F60-Y96 HydrophobicContact CE1-CE1 4.4Å; F60-Y96 HydrophobicContact CE1-CE2 4.48Å; F60-Y96 AromaticContact CE1-CZ 3.84Å; F60-Y96 VanDerWaalsContact CE1-OH 3.28Å; F60-Y96 WeakPolarHBondContact CE1-OH 3.37Å; F60-Y96 HydrophobicContact CE2-CE1 4.17Å; F60-Y96 HydrophobicContact CG-CE1 4.08Å; F60-Y96 HydrophobicContact CZ-CE1 4.34Å; F60-Y96 HydrophobicContact CZ-CE2 4.28Å; F60-Y96 AromaticContact CZ-CZ 3.92Å; Y92-Y96 PolarHBondContact O-N 3.45Å; Y92-Y96 VanDerWaalsContact O-N 3.08Å; I93-Y96 WeakPolarHBondContact O-CB 3.24Å; I93-Y96 PolarHBondContact O-N 2.96Å; M94-Y96 VanDerWaalsContact C-N 3.29Å; M94-Y96 PolarHBondContact O-N 3.49Å; Y96-R98 VanDerWaalsContact C-N 3.26Å; Y96-R98 PolarHBondContact O-N 3.14Å; Y96-E100 WeakPolarHBondContact O-CA 3.41Å; Y96-E100 PolarHBondContact O-N 2.88Å; Y96-L102 HydrophobicContact CD2-CB 3.82Å; Y96-L102 HydrophobicContact CD2-CD1 4.3Å; Y96-L102 HydrophobicContact CE2-CB 4.4Å; Y96-L102 HydrophobicContact CG-CD1 4.19Å; Y96-I122 HydrophobicContact CD1-CD1 3.58Å; Y96-I122 HydrophobicContact CD1-CG1 4.17Å; Y96-I122 HydrophobicContact CD1-CG2 4.36Å; Y96-I122 HydrophobicContact CE1-CD1 4.02Å; Y96-I122 HydrophobicContact CE1-CG1 4.1Å; Y96-I122 HydrophobicContact CE1-CG2 4.15Å; Y96-I122 HydrophobicContact CG-CD1 4.4Å; Y96-I126 HydrophobicContact CE2-CG2 3.7Å
97	Y	94.8	Very high	93.4	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-63.9	-31.7	176.3	-69.1	-88.1	0	0	0	113	T56 L57 F60 T63 L65 I93 M94 I122	T56-Y97 VanDerWaalsContact CG2-O 3.3Å; T56-Y97 WeakPolarHBondContact CG2-O 3.31Å; L57-Y97 HydrophobicContact CD2-CD1 3.81Å; L57-Y97 HydrophobicContact CD2-CD2 4.22Å; L57-Y97 HydrophobicContact CD2-CE1 4.18Å; L57-Y97 HydrophobicContact CD2-CG 3.85Å; F60-Y97 HydrophobicContact CB-CD1 4.41Å; F60-Y97 HydrophobicContact CB-CE1 4.04Å; F60-Y97 AromaticContact CD2-CD1 3.75Å; F60-Y97 HydrophobicContact CD2-CD1 3.75Å; F60-Y97 HydrophobicContact CD2-CE1 4.19Å; F60-Y97 HydrophobicContact CD2-CG 4.5Å; T63-Y97 WeakPolarHBondContact CB-OH 3.39Å; T63-Y97 VanDerWaalsContact OG1-CE1 3.32Å; T63-Y97 WeakPolarHBondContact OG1-CE1 3.39Å; T63-Y97 PolarHBondContact OG1-OH 2.91Å; L65-Y97 HydrophobicContact CB-CE1 4.38Å; L65-Y97 HydrophobicContact CB-CE2 4.35Å; L65-Y97 HydrophobicContact CD1-CE2 3.91Å; I93-Y97 HydrophobicContact CG2-CE2 4.04Å; I93-Y97 WeakPolarHBondContact O-CD2 3.35Å; M94-Y97 PolarHBondContact O-N 3.23Å; Y97-I122 HydrophobicContact CE2-CD1 4.2Å
98	R	93.5	Very high	93.1	Very high	117 Å²	117	56.4 Å²	56.4	44%	0.442	25%	0.25	S	C	.	.	H	α-helix	trans	-80.7	-47.6	-177.7	-70.2	174.5	175.8	175.4	-1.7	112.7	E51 T56 M94 E95 Y96	E51-R98 PolarHBondContact O-NH2 2.92Å; T56-R98 HydrophobicContact CG2-CG 4.1Å; M94-R98 WeakPolarHBondContact O-CG 3.36Å; M94-R98 PolarHBondContact O-N 2.96Å; E95-R98 PolarHBondContact O-N 3.24Å; Y96-R98 VanDerWaalsContact C-N 3.26Å; Y96-R98 PolarHBondContact O-N 3.14Å
99	S	91.9	Very high	92.9	Very high	42 Å²	42	57.3 Å²	57.3	29%	0.294	26%	0.261	S	S	.	.	H	α-helix	trans	-96.3	-13.8	-172.2	69.4	0	0	0	0	114.1	E95 R101	E95-S99 WeakPolarHBondContact O-CB 3.49Å; E95-S99 PolarHBondContact O-N 3Å; E95-S99 PolarHBondContact O-OG 3.19Å; S99-R101 PolarHBondContact O-N 2.88Å; S99-R101 PolarHBondContact OG-N 3.36Å; S99-R101 PolarHBondContact OG-O 3.23Å
100	E	92	Very high	92.9	Very high	109 Å²	109	57.5 Å²	57.5	51%	0.509	26%	0.262	S	S	.	.	S	Bend	trans	61.5	16.6	-172.4	-55.2	171.5	-164.8	0	0	113.2	K59 F60 Y96	K59-E100 HydrophobicContact CD-CG 4.44Å; K59-E100 IonicContact NZ-OE1 3.48Å; K59-E100 PolarHBondContact NZ-OE1 3.46Å; F60-E100 HydrophobicContact CE2-CG 4.23Å; F60-E100 HydrophobicContact CZ-CB 4.14Å; F60-E100 HydrophobicContact CZ-CG 3.93Å; Y96-E100 WeakPolarHBondContact O-CA 3.41Å; Y96-E100 PolarHBondContact O-N 2.88Å
101	R	91.8	Very high	92.7	Very high	176 Å²	176	58.3 Å²	58.3	66%	0.664	27%	0.267	S	S	*	.			trans	-127.7	129.2	179.5	-62.8	-176	-174.3	-157.8	-1	110.4	S99	S99-R101 PolarHBondContact O-N 2.88Å; S99-R101 PolarHBondContact OG-N 3.36Å; S99-R101 PolarHBondContact OG-O 3.23Å
102	L	93.9	Very high	92.6	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.005	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-98.6	127.8	175.1	-171	72.6	0	0	0	109.6	Y96 Y113 L117 I122 M127 G128	Y96-L102 HydrophobicContact CD2-CB 3.82Å; Y96-L102 HydrophobicContact CD2-CD1 4.3Å; Y96-L102 HydrophobicContact CE2-CB 4.4Å; Y96-L102 HydrophobicContact CG-CD1 4.19Å; L102-Y113 WeakPolarHBondContact CD1-OH 3.35Å; L102-L117 HydrophobicContact CD1-CD2 3.78Å; L102-L117 HydrophobicContact CD2-CD1 4.1Å; L102-L117 HydrophobicContact CD2-CD2 3.77Å; L102-L117 HydrophobicContact CG-CD2 4.35Å; L102-I122 HydrophobicContact CD2-CG2 4.05Å; L102-M127 HydrophobicContact CD2-CB 4.21Å; L102-M127 HydrophobicContact CD2-CE 4.3Å; L102-M127 WeakPolarHBondContact O-CG 3.45Å; L102-G128 PolarHBondContact O-N 3.43Å
103	H	93.1	Very high	92.6	Very high	74 Å²	74	53.6 Å²	53.6	34%	0.343	26%	0.256	S	S	.	.			trans	-122.9	154.4	179.7	-70.1	-72.4	0	0	0	110.9	Y113 C130	H103-Y113 PolarHBondContact O-OH 2.93Å; H103-C130 PolarHBondContact CE1-SG 3.42Å; H103-C130 PolarHBondContact ND1-SG 3.46Å
104	L	93.3	Very high	92.5	Very high	11 Å²	11	54.8 Å²	54.8	6%	0.058	26%	0.262	C	S	.	.			trans	-82.5	126.3	177.3	-176.2	66.5	0	0	0	110.8	K106 V110 Y113 M127 C131 E134 Y135 K138	L104-K106 PolarHBondContact O-N 2.9Å; L104-V110 HydrophobicContact CD1-CG1 4.38Å; L104-V110 HydrophobicContact CD1-CG2 4.14Å; L104-Y113 HydrophobicContact CD1-CD1 4.03Å; L104-Y113 HydrophobicContact CD1-CE1 4.37Å; L104-M127 HydrophobicContact CB-SD 4.02Å; L104-M127 HydrophobicContact CD1-CE 4.45Å; L104-C131 HydrophobicContact CB-CB 3.79Å; L104-E134 HydrophobicContact CD2-CB 4.22Å; L104-E134 HydrophobicContact CD2-CG 3.98Å; L104-Y135 HydrophobicContact CD1-CD2 3.97Å; L104-K138 HydrophobicContact CD2-CD 4.42Å
105	P	92.9	Very high	92.5	Very high	2 Å²	2	60.1 Å²	60.1	1%	0.013	29%	0.287	C	S	.	.			trans	-65.3	128.5	167.7	-20.7	33	0	0	0	111.1	L89 Y92 Y108 Y113	L89-P105 HydrophobicContact CD2-CG 4.41Å; Y92-P105 HydrophobicContact CD1-CB 4.44Å; Y92-P105 HydrophobicContact CD1-CG 3.82Å; Y92-P105 HydrophobicContact CD2-CB 4.16Å; Y92-P105 HydrophobicContact CD2-CG 3.61Å; Y92-P105 HydrophobicContact CE1-CB 3.94Å; Y92-P105 HydrophobicContact CE1-CG 3.83Å; Y92-P105 HydrophobicContact CE2-CB 3.62Å; Y92-P105 HydrophobicContact CE2-CG 3.61Å; Y92-P105 HydrophobicContact CG-CG 3.69Å; Y92-P105 VanDerWaalsContact CZ-CB 3.46Å; P105-Y108 HydrophobicContact CB-CD2 3.73Å; P105-Y108 HydrophobicContact CB-CG 4.29Å; P105-Y113 VanDerWaalsContact CD-CD1 3.46Å; P105-Y113 HydrophobicContact CG-CD1 4.12Å; P105-Y113 HydrophobicContact CG-CD2 3.86Å; P105-Y113 HydrophobicContact CG-CE1 4.13Å; P105-Y113 HydrophobicContact CG-CE2 3.9Å; P105-Y113 HydrophobicContact CG-CG 3.95Å
106	K	88.6	Confident	92.6	Very high	159 Å²	159	57.2 Å²	57.2	69%	0.691	27%	0.273	S	S	*	.	S	Bend	trans	-78.8	-32.9	-179.7	-67.6	-171.8	176.6	-174.3	0	113.5	L104	L104-K106 PolarHBondContact O-N 2.9Å
107	D	89.8	Confident	92.6	Very high	139 Å²	139	56.9 Å²	56.9	74%	0.743	27%	0.272	S	S	*	.	S	Bend	trans	-93	4.5	-171.4	-50.2	-49.3	0	0	0	113.7
108	Y	89.4	Confident	92.6	Very high	79 Å²	79	61.6 Å²	61.6	31%	0.31	30%	0.297	S	S	.	.	S	Bend	trans	-121.9	156	-173.5	-63.3	-93.7	0	0	0	112.2	E88 L89 Y92 P105 V110	E88-Y108 HydrophobicContact CB-CE1 4.22Å; E88-Y108 HydrophobicContact CG-CE1 3.83Å; E88-Y108 HydrophobicContact CG-CE2 4.31Å; E88-Y108 VanDerWaalsContact CG-CZ 3.42Å; E88-Y108 WeakPolarHBondContact CG-OH 3.46Å; L89-Y108 HydrophobicContact CD2-CD1 3.72Å; L89-Y108 HydrophobicContact CD2-CD2 4.35Å; L89-Y108 HydrophobicContact CD2-CG 3.63Å; L89-Y108 HydrophobicContact CG-CD1 4.18Å; Y92-Y108 HydrophobicContact CE2-CD2 4.43Å; Y92-Y108 HydrophobicContact CE2-CE2 4.42Å; P105-Y108 HydrophobicContact CB-CD2 3.73Å; P105-Y108 HydrophobicContact CB-CG 4.29Å; Y108-V110 PolarHBondContact O-N 3.18Å
109	C	89.3	Confident	92.6	Very high	70 Å²	70	59.6 Å²	59.6	47%	0.473	29%	0.289	S	S	.	.			trans	-64	124.6	173.9	-179.2	0	0	0	0	110.5	T111 A112 Y113	C109-T111 PolarHBondContact O-N 2.89Å; C109-A112 HydrophobicContact CB-CB 4.03Å; C109-A112 PolarHBondContact O-N 3.34Å; C109-A112 VanDerWaalsContact O-N 3.16Å; C109-Y113 PolarHBondContact O-N 3.21Å
110	V	92.8	Very high	92.8	Very high	7 Å²	7	57.6 Å²	57.6	4%	0.042	28%	0.275	C	S	.	.	H	α-helix	trans	-61.4	-34	179.4	-179.9	0	0	0	0	112	L104 Y108 Y113 H114 Y135 K138 Y139	L104-V110 HydrophobicContact CD1-CG1 4.38Å; L104-V110 HydrophobicContact CD1-CG2 4.14Å; Y108-V110 PolarHBondContact O-N 3.18Å; V110-Y113 PolarHBondContact O-N 2.83Å; V110-H114 WeakPolarHBondContact O-CB 3.2Å; V110-H114 PolarHBondContact O-N 3.01Å; V110-Y135 HydrophobicContact CG1-CD2 3.59Å; V110-Y135 HydrophobicContact CG1-CE2 3.81Å; V110-K138 HydrophobicContact CB-CB 4.19Å; V110-K138 HydrophobicContact CG1-CB 4.34Å; V110-K138 HydrophobicContact CG2-CB 3.62Å; V110-K138 HydrophobicContact CG2-CD 3.68Å; V110-K138 HydrophobicContact CG2-CG 4.28Å; V110-Y139 HydrophobicContact CG1-CD2 4.47Å
111	T	91.8	Very high	92.8	Very high	16 Å²	16	54.2 Å²	54.2	10%	0.098	27%	0.27	C	S	.	.	H	α-helix	trans	-66.8	-43.1	176.4	-49	0	0	0	0	111.5	C109 H114 E115 N142	C109-T111 PolarHBondContact O-N 2.89Å; T111-H114 WeakPolarHBondContact O-CB 3.4Å; T111-H114 PolarHBondContact O-N 3.43Å; T111-E115 WeakPolarHBondContact O-CG 3.36Å; T111-E115 PolarHBondContact O-N 3.14Å; T111-N142 PolarHBondContact OG1-ND2 3.33Å
112	A	92.5	Very high	93	Very high	35 Å²	35	45.9 Å²	45.9	29%	0.289	24%	0.239	S	C	.	.	H	α-helix	trans	-63.6	-43.9	176.3	0	0	0	0	0	111	L89 C109 H114 E115 E116	L89-A112 HydrophobicContact CD1-CB 4.11Å; C109-A112 HydrophobicContact CB-CB 4.03Å; C109-A112 PolarHBondContact O-N 3.34Å; C109-A112 VanDerWaalsContact O-N 3.16Å; A112-H114 VanDerWaalsContact C-N 3.35Å; A112-H114 PolarHBondContact O-N 2.89Å; A112-E115 PolarHBondContact O-N 3.35Å; A112-E116 WeakPolarHBondContact O-CG 3.38Å; A112-E116 PolarHBondContact O-N 2.96Å
113	Y	94.7	Very high	93	Very high	1 Å²	1	51.4 Å²	51.4	0%	0.004	27%	0.266	C	S	.	.	H	α-helix	trans	-62.6	-40.7	175.6	-176.3	-126.6	0	0	0	112.7	L89 I93 L102 H103 L104 P105 C109 V110 E115 E116 L117 M127	L89-Y113 HydrophobicContact CD2-CD2 4.09Å; I93-Y113 HydrophobicContact CD1-CE2 4.33Å; L102-Y113 WeakPolarHBondContact CD1-OH 3.35Å; H103-Y113 PolarHBondContact O-OH 2.93Å; L104-Y113 HydrophobicContact CD1-CD1 4.03Å; L104-Y113 HydrophobicContact CD1-CE1 4.37Å; P105-Y113 VanDerWaalsContact CD-CD1 3.46Å; P105-Y113 HydrophobicContact CG-CD1 4.12Å; P105-Y113 HydrophobicContact CG-CD2 3.86Å; P105-Y113 HydrophobicContact CG-CE1 4.13Å; P105-Y113 HydrophobicContact CG-CE2 3.9Å; P105-Y113 HydrophobicContact CG-CG 3.95Å; C109-Y113 PolarHBondContact O-N 3.21Å; V110-Y113 PolarHBondContact O-N 2.83Å; Y113-E115 VanDerWaalsContact C-N 3.33Å; Y113-E115 PolarHBondContact O-N 3.45Å; Y113-E116 PolarHBondContact O-N 2.86Å; Y113-L117 HydrophobicContact CD1-CD1 3.96Å; Y113-L117 HydrophobicContact CD1-CG 4.46Å; Y113-L117 HydrophobicContact CD2-CG 4.46Å; Y113-L117 HydrophobicContact CE1-CD1 3.72Å; Y113-L117 HydrophobicContact CE1-CD2 4.45Å; Y113-L117 HydrophobicContact CE1-CG 4.23Å; Y113-L117 HydrophobicContact CE2-CD2 4.16Å; Y113-L117 HydrophobicContact CE2-CG 4.21Å; Y113-L117 WeakPolarHBondContact O-CG 3.13Å; Y113-L117 PolarHBondContact O-N 3.4Å; Y113-M127 HydrophobicContact CE1-CE 3.95Å
114	H	94.3	Very high	92.9	Very high	24 Å²	24	48.1 Å²	48.1	11%	0.111	25%	0.251	C	S	.	.	H	α-helix	trans	-59.5	-42.9	174.4	177.9	78.2	0	0	0	112.3	V110 T111 A112 L117 L118 Y135 Y139	V110-H114 WeakPolarHBondContact O-CB 3.2Å; V110-H114 PolarHBondContact O-N 3.01Å; T111-H114 WeakPolarHBondContact O-CB 3.4Å; T111-H114 PolarHBondContact O-N 3.43Å; A112-H114 VanDerWaalsContact C-N 3.35Å; A112-H114 PolarHBondContact O-N 2.89Å; H114-L117 PolarHBondContact O-N 3.48Å; H114-L118 WeakPolarHBondContact NE2-CD1 3.34Å; H114-L118 WeakPolarHBondContact O-CG 3.35Å; H114-L118 PolarHBondContact O-N 3.49Å; H114-Y135 HydrophobicContact CB-CE2 4.43Å; H114-Y135 PolarHBondContact CE1-OH 3.47Å; H114-Y135 AromaticContact ND1-CZ 3.92Å; H114-Y135 PolarHBondContact ND1-OH 2.67Å; H114-Y139 HydrophobicContact CB-CD2 4.14Å; H114-Y139 HydrophobicContact CB-CE2 3.87Å; H114-Y139 AromaticContact CD2-CE2 3.41Å; H114-Y139 VanDerWaalsContact CD2-CE2 3.41Å; H114-Y139 WeakPolarHBondContact CD2-CE2 3.49Å; H114-Y139 AromaticContact CD2-CZ 3.77Å; H114-Y139 PolarHBondContact CD2-OH 3.13Å; H114-Y139 AromaticContact CE1-CZ 3.89Å; H114-Y139 AromaticContact CG-CE2 3.46Å; H114-Y139 VanDerWaalsContact CG-CE2 3.46Å; H114-Y139 AromaticContact ND1-CE2 3.87Å; H114-Y139 AromaticContact NE2-CE2 3.73Å; H114-Y139 AromaticContact NE2-CZ 3.58Å; H114-Y139 PolarHBondContact NE2-OH 2.74Å
115	E	93.4	Very high	92.7	Very high	114 Å²	114	53.1 Å²	53.1	53%	0.533	27%	0.274	S	S	.	.	H	α-helix	trans	-63.4	-38.7	175.7	-71.8	175.4	-170.6	0	0	112.3	T111 A112 Y113 Y119	T111-E115 WeakPolarHBondContact O-CG 3.36Å; T111-E115 PolarHBondContact O-N 3.14Å; A112-E115 PolarHBondContact O-N 3.35Å; Y113-E115 VanDerWaalsContact C-N 3.33Å; Y113-E115 PolarHBondContact O-N 3.45Å; E115-Y119 WeakPolarHBondContact O-CB 3.39Å; E115-Y119 PolarHBondContact O-N 2.77Å
116	E	95.1	Very high	92.6	Very high	18 Å²	18	56.8 Å²	56.8	8%	0.084	29%	0.293	C	S	.	.	H	α-helix	trans	-63.3	-45.3	172.3	-64.3	-55.3	124.2	0	0	112	R85 L89 A112 Y113 L118 Y119 F120	R85-E116 IonicContact CZ-OE1 2.91Å; R85-E116 IonicContact CZ-OE2 3.78Å; R85-E116 IonicContact NH1-OE1 3.85Å; R85-E116 PolarHBondContact NH1-OE1 3.27Å; R85-E116 IonicContact NH1-OE2 2.86Å; R85-E116 PolarHBondContact NH1-OE2 3.02Å; L89-E116 HydrophobicContact CB-CG 3.83Å; L89-E116 HydrophobicContact CD1-CG 3.55Å; L89-E116 HydrophobicContact CG-CG 4.34Å; A112-E116 WeakPolarHBondContact O-CG 3.38Å; A112-E116 PolarHBondContact O-N 2.96Å; Y113-E116 PolarHBondContact O-N 2.86Å; E116-L118 PolarHBondContact O-N 2.84Å; E116-Y119 PolarHBondContact O-N 3.38Å; E116-F120 WeakPolarHBondContact O-CD2 3.44Å; E116-F120 PolarHBondContact O-N 2.99Å
117	L	95.4	Very high	92.7	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-58.2	-48.7	178.2	-71	173.5	0	0	0	111.6	I93 L102 Y113 H114 Y119 F120 G121 I122 P124	I93-L117 HydrophobicContact CD1-CD2 3.53Å; I93-L117 HydrophobicContact CD1-CG 4.29Å; L102-L117 HydrophobicContact CD1-CD2 3.78Å; L102-L117 HydrophobicContact CD2-CD1 4.1Å; L102-L117 HydrophobicContact CD2-CD2 3.77Å; L102-L117 HydrophobicContact CG-CD2 4.35Å; Y113-L117 HydrophobicContact CD1-CD1 3.96Å; Y113-L117 HydrophobicContact CD1-CG 4.46Å; Y113-L117 HydrophobicContact CD2-CG 4.46Å; Y113-L117 HydrophobicContact CE1-CD1 3.72Å; Y113-L117 HydrophobicContact CE1-CD2 4.45Å; Y113-L117 HydrophobicContact CE1-CG 4.23Å; Y113-L117 HydrophobicContact CE2-CD2 4.16Å; Y113-L117 HydrophobicContact CE2-CG 4.21Å; Y113-L117 WeakPolarHBondContact O-CG 3.13Å; Y113-L117 PolarHBondContact O-N 3.4Å; H114-L117 PolarHBondContact O-N 3.48Å; L117-Y119 VanDerWaalsContact C-N 3.33Å; L117-Y119 PolarHBondContact O-N 3.22Å; L117-F120 PolarHBondContact O-N 2.95Å; L117-G121 PolarHBondContact O-N 3.04Å; L117-I122 CarbonylContact C-O 3.44Å; L117-I122 HydrophobicContact CD2-CB 4.1Å; L117-I122 HydrophobicContact CD2-CG2 3.96Å; L117-I122 PolarHBondContact O-N 3.35Å; L117-P124 HydrophobicContact CD1-CB 4.28Å; L117-P124 HydrophobicContact CD1-CG 4.23Å
118	L	94.6	Very high	92.5	Very high	100 Å²	100	44.2 Å²	44.2	52%	0.524	24%	0.24	S	C	.	.	H	α-helix	trans	-62.7	-39.7	177.7	-69.6	-176.8	0	0	0	112.2	H114 E116 F120 G121	H114-L118 WeakPolarHBondContact NE2-CD1 3.34Å; H114-L118 WeakPolarHBondContact O-CG 3.35Å; H114-L118 PolarHBondContact O-N 3.49Å; E116-L118 PolarHBondContact O-N 2.84Å; L118-F120 PolarHBondContact O-N 3.46Å; L118-G121 PolarHBondContact O-N 3.45Å; L118-G121 VanDerWaalsContact O-N 3.15Å
119	Y	94.5	Very high	92.5	Very high	74 Å²	74	47.7 Å²	47.7	29%	0.29	26%	0.264	S	S	.	.	H	α-helix	trans	-61.5	-43.4	178.1	178.9	-91.2	0	0	0	112.4	L64 F73 F83 R85 E115 E116 L117 G121	L64-Y119 HydrophobicContact CD1-CE1 4.2Å; L64-Y119 WeakPolarHBondContact CD1-O 3.45Å; F73-Y119 WeakPolarHBondContact CE1-OH 3.35Å; F83-Y119 AromaticContact CD1-CE1 3.95Å; F83-Y119 HydrophobicContact CD1-CE1 3.95Å; F83-Y119 HydrophobicContact CE1-CE1 4.28Å; R85-Y119 VanDerWaalsContact CZ-CB 3.43Å; R85-Y119 VanDerWaalsContact NE-CD1 3.3Å; R85-Y119 VanDerWaalsContact NH1-CB 3.35Å; E115-Y119 WeakPolarHBondContact O-CB 3.39Å; E115-Y119 PolarHBondContact O-N 2.77Å; E116-Y119 PolarHBondContact O-N 3.38Å; L117-Y119 VanDerWaalsContact C-N 3.33Å; L117-Y119 PolarHBondContact O-N 3.22Å; Y119-G121 PolarHBondContact O-N 2.93Å
120	F	95.6	Very high	92.6	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	5.3	178	-68.7	-70.6	0	0	0	113.6	L64 L65 F83 F90 I93 E116 L117 L118 I122	L64-F120 HydrophobicContact CD2-CD1 4.41Å; L64-F120 PolarHBondContact N-O 2.94Å; L65-F120 HydrophobicContact CD1-CD1 4.19Å; L65-F120 HydrophobicContact CD1-CE1 4.45Å; L65-F120 HydrophobicContact CG-CD1 4.06Å; L65-F120 HydrophobicContact CG-CE1 4.46Å; F83-F120 HydrophobicContact CD1-CE1 4.11Å; F83-F120 HydrophobicContact CE1-CE1 4.15Å; F83-F120 HydrophobicContact CG-CE1 4.39Å; F83-F120 HydrophobicContact CZ-CE1 4.47Å; F90-F120 HydrophobicContact CD2-CE1 4.06Å; F90-F120 AromaticContact CD2-CE2 3.7Å; F90-F120 HydrophobicContact CD2-CE2 3.7Å; F90-F120 AromaticContact CD2-CZ 3.43Å; F90-F120 HydrophobicContact CD2-CZ 3.43Å; F90-F120 VanDerWaalsContact CD2-CZ 3.43Å; F90-F120 HydrophobicContact CE2-CD1 4.34Å; F90-F120 AromaticContact CE2-CE1 3.65Å; F90-F120 HydrophobicContact CE2-CE1 3.65Å; F90-F120 HydrophobicContact CE2-CE2 4.12Å; F90-F120 AromaticContact CE2-CZ 3.53Å; F90-F120 HydrophobicContact CE2-CZ 3.53Å; I93-F120 HydrophobicContact CB-CD2 4.42Å; I93-F120 HydrophobicContact CD1-CD2 4.23Å; I93-F120 HydrophobicContact CG1-CD2 3.88Å; I93-F120 HydrophobicContact CG1-CE2 4.31Å; I93-F120 HydrophobicContact CG2-CB 4.05Å; I93-F120 HydrophobicContact CG2-CD2 3.88Å; I93-F120 HydrophobicContact CG2-CG 3.88Å; E116-F120 WeakPolarHBondContact O-CD2 3.44Å; E116-F120 PolarHBondContact O-N 2.99Å; L117-F120 PolarHBondContact O-N 2.95Å; L118-F120 PolarHBondContact O-N 3.46Å; F120-I122 VanDerWaalsContact C-N 3.32Å; F120-I122 HydrophobicContact CB-CD1 4.4Å; F120-I122 PolarHBondContact O-N 2.63Å
121	G	92.8	Very high	92.6	Very high	38 Å²	38	49.1 Å²	49.1	39%	0.392	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.9	24.9	178.7	0	0	0	0	0	113.7	L117 L118 Y119	L117-G121 PolarHBondContact O-N 3.04Å; L118-G121 PolarHBondContact O-N 3.45Å; L118-G121 VanDerWaalsContact O-N 3.15Å; Y119-G121 PolarHBondContact O-N 2.93Å
122	I	95	Very high	92.6	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.01	28%	0.281	C	S	.	.			trans	-97.8	119	177.3	-59.7	170.3	0	0	0	108.6	T63 I93 Y96 Y97 L102 L117 F120 P124	T63-I122 HydrophobicContact CG2-CG1 3.9Å; I93-I122 HydrophobicContact CD1-CD1 4.18Å; I93-I122 HydrophobicContact CG2-CD1 3.83Å; Y96-I122 HydrophobicContact CD1-CD1 3.58Å; Y96-I122 HydrophobicContact CD1-CG1 4.17Å; Y96-I122 HydrophobicContact CD1-CG2 4.36Å; Y96-I122 HydrophobicContact CE1-CD1 4.02Å; Y96-I122 HydrophobicContact CE1-CG1 4.1Å; Y96-I122 HydrophobicContact CE1-CG2 4.15Å; Y96-I122 HydrophobicContact CG-CD1 4.4Å; Y97-I122 HydrophobicContact CE2-CD1 4.2Å; L102-I122 HydrophobicContact CD2-CG2 4.05Å; L117-I122 CarbonylContact C-O 3.44Å; L117-I122 HydrophobicContact CD2-CB 4.1Å; L117-I122 HydrophobicContact CD2-CG2 3.96Å; L117-I122 PolarHBondContact O-N 3.35Å; F120-I122 VanDerWaalsContact C-N 3.32Å; F120-I122 HydrophobicContact CB-CD1 4.4Å; F120-I122 PolarHBondContact O-N 2.63Å; I122-P124 WeakPolarHBondContact O-CD 3.49Å
123	M	93.1	Very high	92.5	Very high	117 Å²	117	55.8 Å²	55.8	58%	0.576	30%	0.295	S	S	*	.			trans	-70.9	123.5	176.3	-70.2	-173.8	74.6	0	0	110.3	E125 I126	M123-E125 WeakPolarHBondContact CB-OE2 3.47Å; M123-E125 PolarHBondContact O-N 3.05Å; M123-E125 VanDerWaalsContact O-N 3.11Å; M123-I126 HydrophobicContact CB-CD1 4.07Å; M123-I126 HydrophobicContact CB-CG1 4.23Å; M123-I126 WeakPolarHBondContact O-CB 3.46Å; M123-I126 WeakPolarHBondContact O-CG1 3.47Å; M123-I126 PolarHBondContact O-N 2.67Å; M123-I126 VanDerWaalsContact O-N 3.08Å
124	P	91.1	Very high	92.3	Very high	5 Å²	5	59.2 Å²	59.2	3%	0.032	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-59.5	-21.2	178.9	-22.9	32.6	0	0	0	114.1	L117 I122 I126 M127 Y135	L117-P124 HydrophobicContact CD1-CB 4.28Å; L117-P124 HydrophobicContact CD1-CG 4.23Å; I122-P124 WeakPolarHBondContact O-CD 3.49Å; P124-I126 PolarHBondContact O-N 2.7Å; P124-M127 WeakPolarHBondContact O-CB 3.43Å; P124-M127 PolarHBondContact O-N 3.37Å; P124-M127 VanDerWaalsContact O-N 3.07Å; P124-Y135 HydrophobicContact CB-CE1 3.79Å; P124-Y135 HydrophobicContact CB-CE2 4.46Å; P124-Y135 VanDerWaalsContact CB-OH 3.28Å; P124-Y135 WeakPolarHBondContact CB-OH 3.34Å; P124-Y135 WeakPolarHBondContact CG-OH 3.22Å
125	E	89.8	Confident	92.2	Very high	115 Å²	115	58.4 Å²	58.4	54%	0.537	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-63.5	-15.1	175.6	-62.1	77	-167.1	0	0	113.4	M123	M123-E125 WeakPolarHBondContact CB-OE2 3.47Å; M123-E125 PolarHBondContact O-N 3.05Å; M123-E125 VanDerWaalsContact O-N 3.11Å
126	I	90.8	Very high	92.1	Very high	80 Å²	80	55.5 Å²	55.5	41%	0.41	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-79.4	-10	175.5	-55.6	169.9	0	0	0	111.4	Y96 M123 P124 G128	Y96-I126 HydrophobicContact CE2-CG2 3.7Å; M123-I126 HydrophobicContact CB-CD1 4.07Å; M123-I126 HydrophobicContact CB-CG1 4.23Å; M123-I126 WeakPolarHBondContact O-CB 3.46Å; M123-I126 WeakPolarHBondContact O-CG1 3.47Å; M123-I126 PolarHBondContact O-N 2.67Å; M123-I126 VanDerWaalsContact O-N 3.08Å; P124-I126 PolarHBondContact O-N 2.7Å; I126-G128 PolarHBondContact O-N 2.92Å
127	M	91.6	Very high	91.8	Very high	6 Å²	6	59.2 Å²	59.2	3%	0.03	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-59.7	132.5	177.6	-167.2	175.7	-58.7	0	0	111.4	L102 L104 Y113 P124 C131 Y132 Y135	L102-M127 HydrophobicContact CD2-CB 4.21Å; L102-M127 HydrophobicContact CD2-CE 4.3Å; L102-M127 WeakPolarHBondContact O-CG 3.45Å; L104-M127 HydrophobicContact CB-SD 4.02Å; L104-M127 HydrophobicContact CD1-CE 4.45Å; Y113-M127 HydrophobicContact CE1-CE 3.95Å; P124-M127 WeakPolarHBondContact O-CB 3.43Å; P124-M127 PolarHBondContact O-N 3.37Å; P124-M127 VanDerWaalsContact O-N 3.07Å; M127-C131 HydrophobicContact CG-CB 3.92Å; M127-C131 HydrophobicContact SD-CB 3.67Å; M127-Y132 HydrophobicContact CB-CD2 4.12Å; M127-Y135 HydrophobicContact CE-CD1 4.42Å; M127-Y135 HydrophobicContact CE-CD2 3.77Å; M127-Y135 HydrophobicContact CE-CE2 4.39Å; M127-Y135 HydrophobicContact CE-CG 3.79Å; M127-Y135 VanDerWaalsContact SD-CB 3.53Å; M127-Y135 HydrophobicContact SD-CD2 4.44Å; M127-Y135 HydrophobicContact SD-CG 3.94Å
128	G	85.4	Confident	91.6	Very high	28 Å²	28	62.4 Å²	62.4	29%	0.289	33%	0.329	S	S	.	.			trans	-67	153.4	-177.7	0	0	0	0	0	112.8	L102 I126 C130 C131 Y132	L102-G128 PolarHBondContact O-N 3.43Å; I126-G128 PolarHBondContact O-N 2.92Å; G128-C130 PolarHBondContact O-N 3.1Å; G128-C131 PolarHBondContact O-N 3.39Å; G128-Y132 PolarHBondContact O-N 3.07Å
129	D	88.8	Confident	91.4	Very high	152 Å²	152	60.6 Å²	60.6	81%	0.813	32%	0.316	S	S	*	.	H	α-helix	trans	-50	-28.6	-179.2	-58.7	-21.1	0	0	0	114	C131	D129-C131 PolarHBondContact O-N 3.33Å
130	C	90.9	Very high	91.1	Very high	88 Å²	88	64 Å²	64	60%	0.595	33%	0.328	S	S	*	.	H	α-helix	trans	-62.2	-20.3	176.4	61.5	0	0	0	0	114.9	H103 G128	H103-C130 PolarHBondContact CE1-SG 3.42Å; H103-C130 PolarHBondContact ND1-SG 3.46Å; G128-C130 PolarHBondContact O-N 3.1Å
131	C	92.6	Very high	90.5	Very high	18 Å²	18	67.5 Å²	67.5	12%	0.122	35%	0.345	C	S	.	.	H	α-helix	trans	-131.9	-17	-176	-63.6	0	0	0	0	113.2	L104 M127 G128 D129 E134 Y135	L104-C131 HydrophobicContact CB-CB 3.79Å; M127-C131 HydrophobicContact CG-CB 3.92Å; M127-C131 HydrophobicContact SD-CB 3.67Å; G128-C131 PolarHBondContact O-N 3.39Å; D129-C131 PolarHBondContact O-N 3.33Å; C131-E134 PolarHBondContact O-N 2.88Å; C131-Y135 WeakPolarHBondContact O-CB 3.4Å; C131-Y135 PolarHBondContact O-N 3.36Å
132	Y	92.3	Very high	90.2	Very high	64 Å²	64	67 Å²	67	25%	0.251	33%	0.333	S	S	.	.	H	α-helix	trans	-63.1	-45.8	-171.3	-174	-119.3	0	0	0	113.5	M127 G128 E134 Y135 L136	M127-Y132 HydrophobicContact CB-CD2 4.12Å; G128-Y132 PolarHBondContact O-N 3.07Å; Y132-E134 PolarHBondContact O-N 3.49Å; Y132-Y135 HydrophobicContact CD2-CD1 4.35Å; Y132-Y135 HydrophobicContact CE2-CD1 4.49Å; Y132-Y135 WeakPolarHBondContact O-CB 3.29Å; Y132-Y135 PolarHBondContact O-N 3.34Å; Y132-L136 HydrophobicContact CD1-CD1 3.97Å; Y132-L136 HydrophobicContact CD2-CG 4.48Å; Y132-L136 HydrophobicContact CE1-CD1 3.5Å; Y132-L136 HydrophobicContact CE1-CG 4.23Å; Y132-L136 HydrophobicContact CE2-CD1 4.32Å; Y132-L136 HydrophobicContact CE2-CD2 4.3Å; Y132-L136 HydrophobicContact CE2-CG 4.17Å; Y132-L136 WeakPolarHBondContact O-CG 3.48Å; Y132-L136 PolarHBondContact O-N 3.15Å
133	E	89.8	Confident	89.7	Confident	127 Å²	127	72.5 Å²	72.5	59%	0.593	36%	0.357	S	S	*	.	H	α-helix	trans	-59.5	-47.2	176.2	-69.9	-67.5	153.4	0	0	111.5	Y135 L136 D137	E133-Y135 VanDerWaalsContact C-N 3.32Å; E133-Y135 PolarHBondContact O-N 3.32Å; E133-L136 PolarHBondContact O-N 3Å; E133-D137 PolarHBondContact O-N 3.35Å
134	E	91.6	Very high	89.1	Confident	73 Å²	73	71.7 Å²	71.7	34%	0.341	35%	0.352	S	S	.	.	H	α-helix	trans	-63.2	-39	178.5	-171.3	-176.8	164.7	0	0	111.9	L104 C131 Y132 K138	L104-E134 HydrophobicContact CD2-CB 4.22Å; L104-E134 HydrophobicContact CD2-CG 3.98Å; C131-E134 PolarHBondContact O-N 2.88Å; Y132-E134 PolarHBondContact O-N 3.49Å; E134-K138 HydrophobicContact CG-CD 4.18Å; E134-K138 WeakPolarHBondContact O-CB 3.44Å; E134-K138 WeakPolarHBondContact O-CG 3.38Å; E134-K138 PolarHBondContact O-N 2.99Å; E134-K138 WeakPolarHBondContact OE1-CE 3.28Å; E134-K138 IonicContact OE1-NZ 3.55Å; E134-K138 PolarHBondContact OE1-NZ 3.49Å
135	Y	92.8	Very high	88.4	Confident	8 Å²	8	75.3 Å²	75.3	3%	0.031	37%	0.365	C	S	.	.	H	α-helix	trans	-62.6	-47.3	174.3	163.2	-94.7	0	0	0	111.4	L104 V110 H114 P124 M127 C131 Y132 E133 Y139	L104-Y135 HydrophobicContact CD1-CD2 3.97Å; V110-Y135 HydrophobicContact CG1-CD2 3.59Å; V110-Y135 HydrophobicContact CG1-CE2 3.81Å; H114-Y135 HydrophobicContact CB-CE2 4.43Å; H114-Y135 PolarHBondContact CE1-OH 3.47Å; H114-Y135 AromaticContact ND1-CZ 3.92Å; H114-Y135 PolarHBondContact ND1-OH 2.67Å; P124-Y135 HydrophobicContact CB-CE1 3.79Å; P124-Y135 HydrophobicContact CB-CE2 4.46Å; P124-Y135 VanDerWaalsContact CB-OH 3.28Å; P124-Y135 WeakPolarHBondContact CB-OH 3.34Å; P124-Y135 WeakPolarHBondContact CG-OH 3.22Å; M127-Y135 HydrophobicContact CE-CD1 4.42Å; M127-Y135 HydrophobicContact CE-CD2 3.77Å; M127-Y135 HydrophobicContact CE-CE2 4.39Å; M127-Y135 HydrophobicContact CE-CG 3.79Å; M127-Y135 VanDerWaalsContact SD-CB 3.53Å; M127-Y135 HydrophobicContact SD-CD2 4.44Å; M127-Y135 HydrophobicContact SD-CG 3.94Å; C131-Y135 WeakPolarHBondContact O-CB 3.4Å; C131-Y135 PolarHBondContact O-N 3.36Å; Y132-Y135 HydrophobicContact CD2-CD1 4.35Å; Y132-Y135 HydrophobicContact CE2-CD1 4.49Å; Y132-Y135 WeakPolarHBondContact O-CB 3.29Å; Y132-Y135 PolarHBondContact O-N 3.34Å; E133-Y135 VanDerWaalsContact C-N 3.32Å; E133-Y135 PolarHBondContact O-N 3.32Å; Y135-Y139 WeakPolarHBondContact O-CB 3.36Å; Y135-Y139 PolarHBondContact O-N 2.93Å
136	L	91	Very high	87.7	Confident	52 Å²	52	73.6 Å²	73.6	27%	0.272	36%	0.357	S	S	.	.	H	α-helix	trans	-62.4	-44.2	179.6	-75.9	179.4	0	0	0	111.9	Y132 E133 R140	Y132-L136 HydrophobicContact CD1-CD1 3.97Å; Y132-L136 HydrophobicContact CD2-CG 4.48Å; Y132-L136 HydrophobicContact CE1-CD1 3.5Å; Y132-L136 HydrophobicContact CE1-CG 4.23Å; Y132-L136 HydrophobicContact CE2-CD1 4.32Å; Y132-L136 HydrophobicContact CE2-CD2 4.3Å; Y132-L136 HydrophobicContact CE2-CG 4.17Å; Y132-L136 WeakPolarHBondContact O-CG 3.48Å; Y132-L136 PolarHBondContact O-N 3.15Å; E133-L136 PolarHBondContact O-N 3Å; L136-R140 WeakPolarHBondContact O-CB 3.47Å; L136-R140 PolarHBondContact O-N 3.13Å
137	D	89.4	Confident	86.9	Confident	96 Å²	96	74.8 Å²	74.8	51%	0.513	36%	0.361	S	S	.	.	H	α-helix	trans	-63	-50.3	179.1	-79.5	-13.6	0	0	0	111.4	E133 R140 E141	E133-D137 PolarHBondContact O-N 3.35Å; D137-R140 PolarHBondContact O-N 3.26Å; D137-E141 WeakPolarHBondContact O-CB 3.42Å; D137-E141 PolarHBondContact O-N 2.93Å
138	K	90.2	Very high	85.8	Confident	68 Å²	68	79 Å²	79	30%	0.296	38%	0.38	S	S	.	.	H	α-helix	trans	-65.6	-41	179.2	-74.6	178.8	172	173.7	0	112.3	L104 V110 E134 N142	L104-K138 HydrophobicContact CD2-CD 4.42Å; V110-K138 HydrophobicContact CB-CB 4.19Å; V110-K138 HydrophobicContact CG1-CB 4.34Å; V110-K138 HydrophobicContact CG2-CB 3.62Å; V110-K138 HydrophobicContact CG2-CD 3.68Å; V110-K138 HydrophobicContact CG2-CG 4.28Å; E134-K138 HydrophobicContact CG-CD 4.18Å; E134-K138 WeakPolarHBondContact O-CB 3.44Å; E134-K138 WeakPolarHBondContact O-CG 3.38Å; E134-K138 PolarHBondContact O-N 2.99Å; E134-K138 WeakPolarHBondContact OE1-CE 3.28Å; E134-K138 IonicContact OE1-NZ 3.55Å; E134-K138 PolarHBondContact OE1-NZ 3.49Å; K138-N142 WeakPolarHBondContact O-CB 3.46Å; K138-N142 VanDerWaalsContact O-CG 3.31Å; K138-N142 PolarHBondContact O-N 3.12Å; K138-N142 PolarHBondContact O-OD1 2.99Å
139	Y	90.1	Very high	85	Confident	61 Å²	61	82 Å²	82	24%	0.239	39%	0.386	C	S	.	.	H	α-helix	trans	-65.7	-41.8	177.9	-176.1	-100	0	0	0	111.3	V110 H114 Y135 N142 K143	V110-Y139 HydrophobicContact CG1-CD2 4.47Å; H114-Y139 HydrophobicContact CB-CD2 4.14Å; H114-Y139 HydrophobicContact CB-CE2 3.87Å; H114-Y139 AromaticContact CD2-CE2 3.41Å; H114-Y139 VanDerWaalsContact CD2-CE2 3.41Å; H114-Y139 WeakPolarHBondContact CD2-CE2 3.49Å; H114-Y139 AromaticContact CD2-CZ 3.77Å; H114-Y139 PolarHBondContact CD2-OH 3.13Å; H114-Y139 AromaticContact CE1-CZ 3.89Å; H114-Y139 AromaticContact CG-CE2 3.46Å; H114-Y139 VanDerWaalsContact CG-CE2 3.46Å; H114-Y139 AromaticContact ND1-CE2 3.87Å; H114-Y139 AromaticContact NE2-CE2 3.73Å; H114-Y139 AromaticContact NE2-CZ 3.58Å; H114-Y139 PolarHBondContact NE2-OH 2.74Å; Y135-Y139 WeakPolarHBondContact O-CB 3.36Å; Y135-Y139 PolarHBondContact O-N 2.93Å; Y139-N142 PolarHBondContact O-N 3.24Å; Y139-K143 HydrophobicContact CE1-CD 4.34Å; Y139-K143 VanDerWaalsContact O-CB 3.3Å; Y139-K143 WeakPolarHBondContact O-CB 3.35Å; Y139-K143 PolarHBondContact O-N 2.92Å
140	R	88.7	Confident	83.9	Confident	145 Å²	145	81.6 Å²	81.6	55%	0.547	38%	0.378	S	S	.	.	H	α-helix	trans	-63	-48.7	174.7	-171.4	-170	-51	-146.7	3.9	111.5	L136 D137 N142 K143 E144	L136-R140 WeakPolarHBondContact O-CB 3.47Å; L136-R140 PolarHBondContact O-N 3.13Å; D137-R140 PolarHBondContact O-N 3.26Å; R140-N142 VanDerWaalsContact C-N 3.29Å; R140-N142 PolarHBondContact O-N 3.1Å; R140-K143 PolarHBondContact O-N 3.1Å; R140-K143 VanDerWaalsContact O-N 3.12Å; R140-E144 HydrophobicContact CG-CG 4.35Å; R140-E144 WeakPolarHBondContact CG-OE1 3.37Å; R140-E144 WeakPolarHBondContact O-CB 3.43Å; R140-E144 WeakPolarHBondContact O-CG 3.32Å; R140-E144 PolarHBondContact O-N 3.24Å
141	E	83.7	Confident	82.5	Confident	74 Å²	74	82.1 Å²	82.1	35%	0.346	37%	0.371	S	S	.	.	H	α-helix	trans	-59.9	-39.6	177.6	-164	-159.8	170.1	0	0	111.2	D137 R145 R417	D137-E141 WeakPolarHBondContact O-CB 3.42Å; D137-E141 PolarHBondContact O-N 2.93Å; E141-R145 VanDerWaalsContact CD-CZ 3.42Å; E141-R145 WeakPolarHBondContact O-CB 3.47Å; E141-R145 VanDerWaalsContact O-CG 3.22Å; E141-R145 WeakPolarHBondContact O-CG 3.47Å; E141-R145 PolarHBondContact O-N 3.18Å; E141-R145 VanDerWaalsContact O-N 3.09Å; E141-R145 PolarHBondContact O-NE 2.9Å; E141-R145 IonicContact OE1-CZ 3.9Å; E141-R145 IonicContact OE1-NE 3.77Å; E141-R145 IonicContact OE1-NH1 2.81Å; E141-R145 IonicContact OE1-NH2 2.72Å; E141-R145 PolarHBondContact OE1-NH2 2.88Å; E141-R145 IonicContact OE2-CZ 3.78Å; E141-R145 IonicContact OE2-NH2 2.85Å; E141-R145 PolarHBondContact OE2-NH2 3.42Å; E141-R417 IonicContact OE1-CZ 2.83Å; E141-R417 IonicContact OE1-NH1 2.7Å; E141-R417 PolarHBondContact OE1-NH1 2.86Å; E141-R417 IonicContact OE1-NH2 3.61Å; E141-R417 PolarHBondContact OE1-NH2 3.21Å
142	N	85.9	Confident	81	Confident	28 Å²	28	84.8 Å²	84.8	15%	0.15	39%	0.385	C	S	.	.	H	α-helix	trans	-66.7	-41	175.2	-77.5	3.6	0	0	0	112.2	T111 K138 Y139 R140 R145 Q146	T111-N142 PolarHBondContact OG1-ND2 3.33Å; K138-N142 WeakPolarHBondContact O-CB 3.46Å; K138-N142 VanDerWaalsContact O-CG 3.31Å; K138-N142 PolarHBondContact O-N 3.12Å; K138-N142 PolarHBondContact O-OD1 2.99Å; Y139-N142 PolarHBondContact O-N 3.24Å; R140-N142 VanDerWaalsContact C-N 3.29Å; R140-N142 PolarHBondContact O-N 3.1Å; N142-R145 PolarHBondContact O-N 3.43Å; N142-R145 PolarHBondContact OD1-NH2 3.38Å; N142-Q146 WeakPolarHBondContact O-CB 3.2Å; N142-Q146 VanDerWaalsContact O-CG 3.3Å; N142-Q146 WeakPolarHBondContact O-CG 3.4Å; N142-Q146 PolarHBondContact O-N 2.92Å
143	K	85	Confident	79.3	Confident	117 Å²	117	84 Å²	84	51%	0.509	39%	0.392	S	S	.	.	H	α-helix	trans	-68.9	-42.3	-179.6	-173.6	177.5	178.9	177.9	0	111.9	Y139 R140 Q146 Q147	Y139-K143 HydrophobicContact CE1-CD 4.34Å; Y139-K143 VanDerWaalsContact O-CB 3.3Å; Y139-K143 WeakPolarHBondContact O-CB 3.35Å; Y139-K143 PolarHBondContact O-N 2.92Å; R140-K143 PolarHBondContact O-N 3.1Å; R140-K143 VanDerWaalsContact O-N 3.12Å; K143-Q146 PolarHBondContact O-N 3.48Å; K143-Q147 WeakPolarHBondContact O-CB 3.37Å; K143-Q147 PolarHBondContact O-N 3.32Å
144	E	79.6	Confident	77.6	Confident	101 Å²	101	80.4 Å²	80.4	47%	0.472	38%	0.38	S	S	.	.	H	α-helix	trans	-60.2	-48.1	174	-73.6	172.3	178	0	0	110.2	R140 Q146 Q147 E148	R140-E144 HydrophobicContact CG-CG 4.35Å; R140-E144 WeakPolarHBondContact CG-OE1 3.37Å; R140-E144 WeakPolarHBondContact O-CB 3.43Å; R140-E144 WeakPolarHBondContact O-CG 3.32Å; R140-E144 PolarHBondContact O-N 3.24Å; E144-Q146 PolarHBondContact O-N 3.39Å; E144-Q147 WeakPolarHBondContact O-CB 3.37Å; E144-Q147 PolarHBondContact O-N 3.46Å; E144-Q147 VanDerWaalsContact O-N 3.09Å; E144-E148 WeakPolarHBondContact O-CG 3.34Å; E144-E148 PolarHBondContact O-N 2.92Å
145	R	75.7	Confident	75.9	Confident	80 Å²	80	82 Å²	82	30%	0.302	39%	0.388	S	S	.	.	H	α-helix	trans	-55.9	-51.9	173.1	-76.9	-179.2	-82.4	-165.4	-9.9	112	E141 N142 Q147 E148 E149	E141-R145 VanDerWaalsContact CD-CZ 3.42Å; E141-R145 WeakPolarHBondContact O-CB 3.47Å; E141-R145 VanDerWaalsContact O-CG 3.22Å; E141-R145 WeakPolarHBondContact O-CG 3.47Å; E141-R145 PolarHBondContact O-N 3.18Å; E141-R145 VanDerWaalsContact O-N 3.09Å; E141-R145 PolarHBondContact O-NE 2.9Å; E141-R145 IonicContact OE1-CZ 3.9Å; E141-R145 IonicContact OE1-NE 3.77Å; E141-R145 IonicContact OE1-NH1 2.81Å; E141-R145 IonicContact OE1-NH2 2.72Å; E141-R145 PolarHBondContact OE1-NH2 2.88Å; E141-R145 IonicContact OE2-CZ 3.78Å; E141-R145 IonicContact OE2-NH2 2.85Å; E141-R145 PolarHBondContact OE2-NH2 3.42Å; N142-R145 PolarHBondContact O-N 3.43Å; N142-R145 PolarHBondContact OD1-NH2 3.38Å; R145-Q147 PolarHBondContact O-N 3.21Å; R145-E148 WeakPolarHBondContact O-CB 3.29Å; R145-E148 PolarHBondContact O-N 3.26Å; R145-E149 VanDerWaalsContact O-CG 3.26Å; R145-E149 WeakPolarHBondContact O-CG 3.45Å; R145-E149 PolarHBondContact O-N 2.84Å
146	Q	76.1	Confident	74.1	Confident	80 Å²	80	88.9 Å²	88.9	37%	0.374	42%	0.42	S	S	.	.	H	α-helix	trans	-61.1	-29.1	178.5	-75.7	-178.6	-1.2	0	0	113	N142 K143 E144 K150	N142-Q146 WeakPolarHBondContact O-CB 3.2Å; N142-Q146 VanDerWaalsContact O-CG 3.3Å; N142-Q146 WeakPolarHBondContact O-CG 3.4Å; N142-Q146 PolarHBondContact O-N 2.92Å; K143-Q146 PolarHBondContact O-N 3.48Å; E144-Q146 PolarHBondContact O-N 3.39Å; Q146-K150 WeakPolarHBondContact O-CB 3.38Å; Q146-K150 VanDerWaalsContact O-CG 3.23Å; Q146-K150 WeakPolarHBondContact O-CG 3.07Å; Q146-K150 PolarHBondContact O-N 3.21Å
147	Q	74.7	Confident	72.2	Confident	105 Å²	105	94.6 Å²	94.6	49%	0.491	45%	0.445	S	S	.	.	H	α-helix	trans	-74.3	-44.9	176.7	-167.4	177.6	-28.4	0	0	111	K143 E144 R145 E149 K150 E151	K143-Q147 WeakPolarHBondContact O-CB 3.37Å; K143-Q147 PolarHBondContact O-N 3.32Å; E144-Q147 WeakPolarHBondContact O-CB 3.37Å; E144-Q147 PolarHBondContact O-N 3.46Å; E144-Q147 VanDerWaalsContact O-N 3.09Å; R145-Q147 PolarHBondContact O-N 3.21Å; Q147-E149 VanDerWaalsContact C-N 3.28Å; Q147-E149 PolarHBondContact O-N 2.82Å; Q147-K150 PolarHBondContact O-N 3.37Å; Q147-E151 PolarHBondContact NE2-OE1 2.86Å; Q147-E151 VanDerWaalsContact NE2-OE1 3.12Å; Q147-E151 WeakPolarHBondContact O-CB 3.3Å; Q147-E151 WeakPolarHBondContact O-CG 3.38Å; Q147-E151 PolarHBondContact O-N 3.49Å
148	E	68.5	Low	70.3	Confident	95 Å²	95	96.2 Å²	96.2	44%	0.444	45%	0.45	S	S	.	.	H	α-helix	trans	-55	-45.8	170.5	-68.2	171.4	172.2	0	0	110.5	E144 R145 K150 E151 D152	E144-E148 WeakPolarHBondContact O-CG 3.34Å; E144-E148 PolarHBondContact O-N 2.92Å; R145-E148 WeakPolarHBondContact O-CB 3.29Å; R145-E148 PolarHBondContact O-N 3.26Å; E148-K150 PolarHBondContact O-N 2.97Å; E148-E151 PolarHBondContact O-N 2.96Å; E148-D152 PolarHBondContact O-N 3.08Å
149	E	67.2	Low	68.6	Low	89 Å²	89	99.9 Å²	99.9	42%	0.416	47%	0.472	S	S	.	.	H	α-helix	trans	-65	-36.7	178	-64.4	-168	134.7	0	0	113.6	R145 Q147 A153 K421	R145-E149 VanDerWaalsContact O-CG 3.26Å; R145-E149 WeakPolarHBondContact O-CG 3.45Å; R145-E149 PolarHBondContact O-N 2.84Å; Q147-E149 VanDerWaalsContact C-N 3.28Å; Q147-E149 PolarHBondContact O-N 2.82Å; E149-A153 WeakPolarHBondContact O-CB 3.48Å; E149-A153 PolarHBondContact O-N 3.39Å; E149-K421 WeakPolarHBondContact OE1-CE 3.36Å; E149-K421 IonicContact OE1-NZ 3.7Å; E149-K421 PolarHBondContact OE1-NZ 3.19Å
150	K	65.9	Low	67	Low	144 Å²	144	98.5 Å²	98.5	63%	0.626	47%	0.471	S	S	*	.	H	α-helix	trans	-70.8	-36.7	175	-79.7	172.8	-177.6	174.2	0	111.4	Q146 Q147 E148 S154	Q146-K150 WeakPolarHBondContact O-CB 3.38Å; Q146-K150 VanDerWaalsContact O-CG 3.23Å; Q146-K150 WeakPolarHBondContact O-CG 3.07Å; Q146-K150 PolarHBondContact O-N 3.21Å; Q147-K150 PolarHBondContact O-N 3.37Å; E148-K150 PolarHBondContact O-N 2.97Å; K150-S154 WeakPolarHBondContact O-CB 3.41Å; K150-S154 PolarHBondContact O-N 3.29Å; K150-S154 PolarHBondContact O-OG 3.12Å; K150-S154 VanDerWaalsContact O-OG 3.11Å
151	E	62.4	Low	65.9	Low	99 Å²	99	97.7 Å²	97.7	46%	0.463	48%	0.482	S	S	.	.	H	α-helix	trans	-63.7	-51.8	175.1	-74.4	175.7	-165	0	0	109.4	Q147 E148 A153 S154 E155	Q147-E151 PolarHBondContact NE2-OE1 2.86Å; Q147-E151 VanDerWaalsContact NE2-OE1 3.12Å; Q147-E151 WeakPolarHBondContact O-CB 3.3Å; Q147-E151 WeakPolarHBondContact O-CG 3.38Å; Q147-E151 PolarHBondContact O-N 3.49Å; E148-E151 PolarHBondContact O-N 2.96Å; E151-A153 PolarHBondContact O-N 3.44Å; E151-S154 WeakPolarHBondContact CA-OG 3.34Å; E151-S154 PolarHBondContact O-N 3.32Å; E151-S154 PolarHBondContact O-OG 2.89Å; E151-E155 WeakPolarHBondContact O-CG 3.28Å; E151-E155 PolarHBondContact O-N 3.18Å
152	D	59.7	Low	65.7	Low	75 Å²	75	98.7 Å²	98.7	40%	0.401	49%	0.49	S	S	.	.	H	α-helix	trans	-57.1	-48	174.9	-70.5	-20.4	0	0	0	112.5	E148 S154 E155 E156	E148-D152 PolarHBondContact O-N 3.08Å; D152-S154 VanDerWaalsContact C-N 3.32Å; D152-S154 PolarHBondContact O-N 2.86Å; D152-E155 PolarHBondContact O-N 3.12Å; D152-E156 PolarHBondContact O-N 2.78Å
153	A	57.4	Low	65.7	Low	48 Å²	48	104.2 Å²	104.2	40%	0.397	51%	0.513	S	S	.	.	H	α-helix	trans	-65	-37.5	178.8	0	0	0	0	0	111.7	E149 E151 E155 E156 E157	E149-A153 WeakPolarHBondContact O-CB 3.48Å; E149-A153 PolarHBondContact O-N 3.39Å; E151-A153 PolarHBondContact O-N 3.44Å; A153-E155 VanDerWaalsContact C-N 3.31Å; A153-E155 PolarHBondContact O-N 2.99Å; A153-E156 PolarHBondContact O-N 3.43Å; A153-E157 VanDerWaalsContact O-CB 3.26Å; A153-E157 WeakPolarHBondContact O-CB 3.48Å; A153-E157 PolarHBondContact O-N 3.23Å
154	S	55	Low	65.9	Low	51 Å²	51	103.7 Å²	103.7	36%	0.357	51%	0.508	S	S	.	.	H	α-helix	trans	-68.7	-31	175.7	73.4	0	0	0	0	112.4	K150 E151 D152 Q158	K150-S154 WeakPolarHBondContact O-CB 3.41Å; K150-S154 PolarHBondContact O-N 3.29Å; K150-S154 PolarHBondContact O-OG 3.12Å; K150-S154 VanDerWaalsContact O-OG 3.11Å; E151-S154 WeakPolarHBondContact CA-OG 3.34Å; E151-S154 PolarHBondContact O-N 3.32Å; E151-S154 PolarHBondContact O-OG 2.89Å; D152-S154 VanDerWaalsContact C-N 3.32Å; D152-S154 PolarHBondContact O-N 2.86Å; S154-Q158 VanDerWaalsContact O-CB 3.31Å; S154-Q158 WeakPolarHBondContact O-CB 3.5Å; S154-Q158 WeakPolarHBondContact O-CG 3.26Å; S154-Q158 PolarHBondContact O-N 2.71Å; S154-Q158 VanDerWaalsContact O-N 3.09Å
155	E	55	Low	66	Low	107 Å²	107	100.6 Å²	100.6	50%	0.5	50%	0.495	S	S	.	.	H	α-helix	trans	-70.5	-36.9	172.5	-72.7	-167.5	179.6	0	0	112	E151 D152 A153 N173	E151-E155 WeakPolarHBondContact O-CG 3.28Å; E151-E155 PolarHBondContact O-N 3.18Å; D152-E155 PolarHBondContact O-N 3.12Å; A153-E155 VanDerWaalsContact C-N 3.31Å; A153-E155 PolarHBondContact O-N 2.99Å; E155-N173 PolarHBondContact OE2-ND2 3.26Å
156	E	54.8	Low	66.4	Low	151 Å²	151	104.6 Å²	104.6	71%	0.706	51%	0.51	S	S	*	.	H	α-helix	trans	-73.3	-40.6	175.3	-73.8	-173.3	167.3	0	0	112.8	D152 A153	D152-E156 PolarHBondContact O-N 2.78Å; A153-E156 PolarHBondContact O-N 3.43Å
157	E	50.5	Low	66.9	Low	173 Å²	173	102.1 Å²	102.1	81%	0.808	50%	0.499	S	S	*	.	H	α-helix	trans	-79.5	-20.5	-176.5	-149.1	171.7	-152.8	0	0	112.3	A153 L159	A153-E157 VanDerWaalsContact O-CB 3.26Å; A153-E157 WeakPolarHBondContact O-CB 3.48Å; A153-E157 PolarHBondContact O-N 3.23Å; E157-L159 PolarHBondContact O-N 2.96Å
158	Q	51	Low	67.6	Low	130 Å²	130	100.3 Å²	100.3	61%	0.607	49%	0.487	S	S	*	.			trans	-75.5	65.1	163.2	-72.7	-178.8	20	0	0	111	S154 S160	S154-Q158 VanDerWaalsContact O-CB 3.31Å; S154-Q158 WeakPolarHBondContact O-CB 3.5Å; S154-Q158 WeakPolarHBondContact O-CG 3.26Å; S154-Q158 PolarHBondContact O-N 2.71Å; S154-Q158 VanDerWaalsContact O-N 3.09Å; Q158-S160 PolarHBondContact O-N 3.17Å
159	L	54.4	Low	68.3	Low	145 Å²	145	99.2 Å²	99.2	76%	0.759	48%	0.479	S	S	*	.			trans	-69.8	62.3	161.9	-161.7	79.7	0	0	0	109.5	E157	E157-L159 PolarHBondContact O-N 2.96Å
160	S	56.9	Low	69.2	Low	31 Å²	31	95.3 Å²	95.3	22%	0.217	46%	0.462	C	S	.	.			trans	-73.3	131.9	-178.2	70.8	0	0	0	0	110.3	Q158 N162 D165 R169	Q158-S160 PolarHBondContact O-N 3.17Å; S160-N162 VanDerWaalsContact C-N 3.27Å; S160-N162 PolarHBondContact O-N 3.05Å; S160-D165 VanDerWaalsContact CB-OD2 3.25Å; S160-D165 WeakPolarHBondContact CB-OD2 3.41Å; S160-D165 WeakPolarHBondContact OG-CB 2.91Å; S160-D165 VanDerWaalsContact OG-CG 3.27Å; S160-D165 PolarHBondContact OG-OD2 3.44Å; S160-R169 PolarHBondContact O-NH2 2.9Å
161	T	63.9	Low	70.1	Confident	128 Å²	128	89.8 Å²	89.8	79%	0.785	44%	0.438	S	S	*	.			trans	-78.2	-10.7	-170.9	51.2	0	0	0	0	113.5
162	N	81.1	Confident	71	Confident	95 Å²	95	88.7 Å²	88.7	51%	0.508	43%	0.433	S	S	.	.			trans	-79.1	135.8	-171.7	-67.5	-29.1	0	0	0	111.3	S160 R164 D165 R166	S160-N162 VanDerWaalsContact C-N 3.27Å; S160-N162 PolarHBondContact O-N 3.05Å; N162-R164 PolarHBondContact O-N 2.96Å; N162-R164 VanDerWaalsContact O-N 3.17Å; N162-D165 PolarHBondContact O-N 3.48Å; N162-D165 VanDerWaalsContact O-N 3.1Å; N162-R166 PolarHBondContact O-N 2.63Å
163	F	84.9	Confident	71.8	Confident	144 Å²	144	88.1 Å²	88.1	63%	0.632	43%	0.43	S	S	*	.	H	α-helix	trans	-53	-37.7	177.2	177	-100.3	0	0	0	112.6	D165 R166 L167	F163-D165 PolarHBondContact O-N 3.39Å; F163-R166 PolarHBondContact O-N 3.36Å; F163-L167 HydrophobicContact CE1-CD2 4.19Å; F163-L167 WeakPolarHBondContact O-CB 3.27Å; F163-L167 PolarHBondContact O-N 3.46Å
164	R	88.5	Confident	73	Confident	107 Å²	107	88.2 Å²	88.2	40%	0.404	43%	0.427	S	S	.	.	H	α-helix	trans	-57.3	-45.7	177.9	-171.6	-172	67.1	-173.8	0.3	112.6	N162 L167 W168 Y245	N162-R164 PolarHBondContact O-N 2.96Å; N162-R164 VanDerWaalsContact O-N 3.17Å; R164-L167 PolarHBondContact O-N 2.92Å; R164-W168 PolarHBondContact O-N 2.96Å; R164-Y245 HydrophobicContact CB-CE1 4.37Å; R164-Y245 HydrophobicContact CG-CE1 4.25Å
165	D	83.3	Confident	73.9	Confident	36 Å²	36	93.4 Å²	93.4	19%	0.193	45%	0.445	C	S	.	.	H	α-helix	trans	-77.6	-32.9	-175.3	-56	-15.8	0	0	0	110.8	S160 N162 F163 L167 W168 R169	S160-D165 VanDerWaalsContact CB-OD2 3.25Å; S160-D165 WeakPolarHBondContact CB-OD2 3.41Å; S160-D165 WeakPolarHBondContact OG-CB 2.91Å; S160-D165 VanDerWaalsContact OG-CG 3.27Å; S160-D165 PolarHBondContact OG-OD2 3.44Å; N162-D165 PolarHBondContact O-N 3.48Å; N162-D165 VanDerWaalsContact O-N 3.1Å; F163-D165 PolarHBondContact O-N 3.39Å; D165-L167 VanDerWaalsContact C-N 3.32Å; D165-W168 PolarHBondContact O-N 3.38Å; D165-R169 WeakPolarHBondContact O-CB 3.36Å; D165-R169 WeakPolarHBondContact O-CG 3.25Å; D165-R169 PolarHBondContact O-N 3.22Å
166	R	83	Confident	75	Confident	164 Å²	164	90.7 Å²	90.7	62%	0.619	44%	0.441	S	S	*	.	H	α-helix	trans	-60.3	-43.2	168.4	-70.1	179	65.1	-175.5	0.7	111.4	N162 F163 A170	N162-R166 PolarHBondContact O-N 2.63Å; F163-R166 PolarHBondContact O-N 3.36Å; R166-A170 WeakPolarHBondContact O-CB 3.3Å; R166-A170 PolarHBondContact O-N 2.98Å
167	L	87.4	Confident	76.4	Confident	28 Å²	28	85.8 Å²	85.8	15%	0.147	42%	0.423	C	S	.	.	H	α-helix	trans	-66.1	-41.5	177.3	-171.4	63.8	0	0	0	111.4	F163 R164 D165 A170 F171 A242 Y245 A246	F163-L167 HydrophobicContact CE1-CD2 4.19Å; F163-L167 WeakPolarHBondContact O-CB 3.27Å; F163-L167 PolarHBondContact O-N 3.46Å; R164-L167 PolarHBondContact O-N 2.92Å; D165-L167 VanDerWaalsContact C-N 3.32Å; L167-A170 PolarHBondContact O-N 2.95Å; L167-F171 HydrophobicContact CD1-CD2 4.05Å; L167-F171 HydrophobicContact CD1-CE2 3.49Å; L167-F171 VanDerWaalsContact CD1-CE2 3.49Å; L167-F171 HydrophobicContact CD1-CZ 4.3Å; L167-F171 HydrophobicContact CD2-CE2 4.33Å; L167-F171 HydrophobicContact CG-CD2 3.98Å; L167-F171 HydrophobicContact CG-CE2 3.7Å; L167-F171 VanDerWaalsContact O-CD2 3.23Å; L167-F171 WeakPolarHBondContact O-CD2 3.43Å; L167-F171 PolarHBondContact O-N 3.28Å; L167-A242 HydrophobicContact CD2-CB 4.43Å; L167-Y245 HydrophobicContact CD2-CD1 4.31Å; L167-A246 HydrophobicContact CB-CB 4.21Å; L167-A246 HydrophobicContact CD2-CB 4.18Å; L167-A246 HydrophobicContact CG-CB 4.1Å
168	W	88.1	Confident	78.1	Confident	66 Å²	66	83.3 Å²	83.3	25%	0.25	42%	0.42	C	S	.	.	H	α-helix	trans	-59.8	-51	175.3	-177.7	-108.6	0	0	0	111.6	R164 D165 A170 F171 E172 A246 A247 F253	R164-W168 PolarHBondContact O-N 2.96Å; D165-W168 PolarHBondContact O-N 3.38Å; W168-A170 VanDerWaalsContact C-N 3.28Å; W168-A170 PolarHBondContact O-N 3.45Å; W168-F171 PolarHBondContact O-N 2.99Å; W168-F171 VanDerWaalsContact O-N 3.12Å; W168-E172 PolarHBondContact O-N 3.03Å; W168-E172 VanDerWaalsContact O-N 3.1Å; W168-A246 HydrophobicContact CB-CB 3.92Å; W168-A246 HydrophobicContact CE3-CB 3.96Å; W168-A247 VanDerWaalsContact CE3-CA 3.45Å; W168-A247 HydrophobicContact CE3-CB 4.11Å; W168-A247 HydrophobicContact CH2-CB 4.09Å; W168-A247 VanDerWaalsContact CZ3-CA 3.45Å; W168-A247 HydrophobicContact CZ3-CB 3.58Å; W168-F253 AromaticContact CH2-CD2 3.83Å; W168-F253 HydrophobicContact CH2-CD2 3.83Å; W168-F253 HydrophobicContact CH2-CE2 4.13Å; W168-F253 HydrophobicContact CZ3-CD2 4.03Å; W168-F253 HydrophobicContact CZ3-CE2 4.09Å
169	R	83.2	Confident	79.9	Confident	73 Å²	73	81.9 Å²	81.9	28%	0.275	42%	0.416	S	S	.	.	H	α-helix	trans	-59.4	-38.1	176.6	-76	-172.6	-78.1	125.4	-10.7	112.3	S160 D165 F171 N173	S160-R169 PolarHBondContact O-NH2 2.9Å; D165-R169 WeakPolarHBondContact O-CB 3.36Å; D165-R169 WeakPolarHBondContact O-CG 3.25Å; D165-R169 PolarHBondContact O-N 3.22Å; R169-F171 VanDerWaalsContact C-N 3.31Å; R169-F171 PolarHBondContact O-N 3.12Å; R169-N173 PolarHBondContact O-N 3.27Å; R169-N173 VanDerWaalsContact O-N 3.08Å
170	A	86	Confident	81.5	Confident	6 Å²	6	75 Å²	75	5%	0.05	38%	0.381	C	S	.	.	H	α-helix	trans	-67.3	-28.1	178.2	0	0	0	0	0	113.8	R166 L167 W168 A180	R166-A170 WeakPolarHBondContact O-CB 3.3Å; R166-A170 PolarHBondContact O-N 2.98Å; L167-A170 PolarHBondContact O-N 2.95Å; W168-A170 VanDerWaalsContact C-N 3.28Å; W168-A170 PolarHBondContact O-N 3.45Å; A170-A180 HydrophobicContact CB-CB 4.14Å; A170-A180 WeakPolarHBondContact O-CA 3.43Å; A170-A180 WeakPolarHBondContact O-CB 3.32Å
171	F	86.9	Confident	83.1	Confident	28 Å²	28	76.4 Å²	76.4	12%	0.123	39%	0.387	C	S	.	.	H	α-helix	trans	-89.3	-28.6	178.8	-80.3	-59.1	0	0	0	114.6	L167 W168 R169 L183 E239 A242 R243	L167-F171 HydrophobicContact CD1-CD2 4.05Å; L167-F171 HydrophobicContact CD1-CE2 3.49Å; L167-F171 VanDerWaalsContact CD1-CE2 3.49Å; L167-F171 HydrophobicContact CD1-CZ 4.3Å; L167-F171 HydrophobicContact CD2-CE2 4.33Å; L167-F171 HydrophobicContact CG-CD2 3.98Å; L167-F171 HydrophobicContact CG-CE2 3.7Å; L167-F171 VanDerWaalsContact O-CD2 3.23Å; L167-F171 WeakPolarHBondContact O-CD2 3.43Å; L167-F171 PolarHBondContact O-N 3.28Å; W168-F171 PolarHBondContact O-N 2.99Å; W168-F171 VanDerWaalsContact O-N 3.12Å; R169-F171 VanDerWaalsContact C-N 3.31Å; R169-F171 PolarHBondContact O-N 3.12Å; F171-L183 HydrophobicContact CE1-CD1 4.17Å; F171-L183 HydrophobicContact CZ-CD1 4.43Å; F171-E239 HydrophobicContact CE1-CG 4.13Å; F171-A242 HydrophobicContact CE2-CB 3.61Å; F171-A242 HydrophobicContact CZ-CB 3.76Å; F171-R243 HydrophobicContact CB-CG 3.93Å; F171-R243 HydrophobicContact CD1-CG 4.05Å; F171-R243 HydrophobicContact CD2-CG 3.81Å; F171-R243 HydrophobicContact CE2-CG 4.29Å; F171-R243 HydrophobicContact CG-CG 3.67Å
172	E	80.9	Confident	84.4	Confident	77 Å²	77	74.3 Å²	74.3	36%	0.36	37%	0.374	S	S	.	.	H	α-helix	trans	-91.5	-41.3	-176.5	-161.8	62.5	-158.3	0	0	112.1	W168 P174 R301	W168-E172 PolarHBondContact O-N 3.03Å; W168-E172 VanDerWaalsContact O-N 3.1Å; E172-P174 WeakPolarHBondContact O-CD 3.32Å; E172-R301 IonicContact OE2-NH1 3.58Å
173	N	76.6	Confident	84.8	Confident	63 Å²	63	72.1 Å²	72.1	34%	0.337	36%	0.363	S	S	.	.			trans	-112	99.1	-175.8	-73.5	-23.4	0	0	0	110.3	E155 R169 Q175 A176 A180	E155-N173 PolarHBondContact OE2-ND2 3.26Å; R169-N173 PolarHBondContact O-N 3.27Å; R169-N173 VanDerWaalsContact O-N 3.08Å; N173-Q175 PolarHBondContact O-N 2.86Å; N173-Q175 VanDerWaalsContact O-N 3.12Å; N173-A176 HydrophobicContact CB-CB 3.85Å; N173-A176 VanDerWaalsContact O-CB 3.25Å; N173-A176 WeakPolarHBondContact O-CB 3.2Å; N173-A176 PolarHBondContact O-N 3.35Å; N173-A180 WeakPolarHBondContact O-CB 3.45Å
174	P	81	Confident	85.1	Confident	50 Å²	50	68.8 Å²	68.8	33%	0.325	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-25.3	-179.5	24.5	-33.3	0	0	0	112.2	E172 A176 V181 Y184	E172-P174 WeakPolarHBondContact O-CD 3.32Å; P174-A176 VanDerWaalsContact C-N 3.33Å; P174-V181 WeakPolarHBondContact O-CG2 3.41Å; P174-V181 PolarHBondContact O-N 3.34Å; P174-Y184 HydrophobicContact CB-CD2 3.96Å; P174-Y184 HydrophobicContact CB-CG 3.97Å; P174-Y184 HydrophobicContact CG-CD2 4.36Å
175	Q	75.1	Confident	85.3	Confident	159 Å²	159	71.2 Å²	71.2	74%	0.743	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-4.6	177.6	-63.5	-174.7	-14.9	0	0	114	N173	N173-Q175 PolarHBondContact O-N 2.86Å; N173-Q175 VanDerWaalsContact O-N 3.12Å
176	A	76.7	Confident	85.7	Confident	50 Å²	50	72.8 Å²	72.8	41%	0.413	37%	0.367	S	S	.	.	S	Bend	trans	-73	-29.9	-173.2	0	0	0	0	0	113.9	N173 P174	N173-A176 HydrophobicContact CB-CB 3.85Å; N173-A176 VanDerWaalsContact O-CB 3.25Å; N173-A176 WeakPolarHBondContact O-CB 3.2Å; N173-A176 PolarHBondContact O-N 3.35Å; P174-A176 VanDerWaalsContact C-N 3.33Å
177	S	84.5	Confident	86.1	Confident	48 Å²	48	65.7 Å²	65.7	34%	0.336	34%	0.342	S	S	.	.			trans	-159.8	160.1	178.4	62.9	0	0	0	0	111.1	L179 A180 V181	S177-L179 PolarHBondContact O-N 3Å; S177-A180 WeakPolarHBondContact O-CA 3.2Å; S177-A180 VanDerWaalsContact O-CB 3.24Å; S177-A180 WeakPolarHBondContact O-CB 3.3Å; S177-A180 PolarHBondContact O-N 2.91Å; S177-A180 WeakPolarHBondContact OG-CB 3.4Å; S177-A180 PolarHBondContact OG-N 3.49Å; S177-A180 VanDerWaalsContact OG-N 3.15Å; S177-V181 PolarHBondContact O-N 2.86Å; S177-V181 VanDerWaalsContact O-N 3.09Å
178	T	87.8	Confident	86.3	Confident	122 Å²	122	65.1 Å²	65.1	75%	0.748	34%	0.343	S	S	*	.	H	α-helix	trans	-56.6	-37.6	172.6	51.8	0	0	0	0	112	A180 V181 V182	T178-A180 VanDerWaalsContact C-N 3.33Å; T178-A180 PolarHBondContact O-N 3.45Å; T178-V181 PolarHBondContact O-N 3.18Å; T178-V182 WeakPolarHBondContact O-CG2 3.33Å; T178-V182 PolarHBondContact O-N 3.31Å
179	L	87.7	Confident	86.5	Confident	100 Å²	100	68.1 Å²	68.1	52%	0.524	36%	0.358	S	S	.	.	H	α-helix	trans	-59.8	-42.6	173.1	-177.7	69.5	0	0	0	111.7	S177 V182 L183	S177-L179 PolarHBondContact O-N 3Å; L179-V182 PolarHBondContact O-N 2.8Å; L179-L183 HydrophobicContact CD1-CG 4.43Å; L179-L183 HydrophobicContact CG-CD1 4.09Å; L179-L183 HydrophobicContact CG-CG 4.39Å; L179-L183 WeakPolarHBondContact O-CB 3.33Å; L179-L183 VanDerWaalsContact O-CG 3.31Å; L179-L183 WeakPolarHBondContact O-CG 3.44Å; L179-L183 PolarHBondContact O-N 3.27Å
180	A	89.1	Confident	87	Confident	1 Å²	1	67.5 Å²	67.5	1%	0.008	36%	0.357	C	S	.	.	H	α-helix	trans	-61.1	-45.9	177.7	0	0	0	0	0	111.5	A170 N173 S177 T178 V182 L183 Y184	A170-A180 HydrophobicContact CB-CB 4.14Å; A170-A180 WeakPolarHBondContact O-CA 3.43Å; A170-A180 WeakPolarHBondContact O-CB 3.32Å; N173-A180 WeakPolarHBondContact O-CB 3.45Å; S177-A180 WeakPolarHBondContact O-CA 3.2Å; S177-A180 VanDerWaalsContact O-CB 3.24Å; S177-A180 WeakPolarHBondContact O-CB 3.3Å; S177-A180 PolarHBondContact O-N 2.91Å; S177-A180 WeakPolarHBondContact OG-CB 3.4Å; S177-A180 PolarHBondContact OG-N 3.49Å; S177-A180 VanDerWaalsContact OG-N 3.15Å; T178-A180 VanDerWaalsContact C-N 3.33Å; T178-A180 PolarHBondContact O-N 3.45Å; A180-V182 PolarHBondContact O-N 3.24Å; A180-L183 PolarHBondContact O-N 3.4Å; A180-Y184 VanDerWaalsContact O-CB 3.24Å; A180-Y184 WeakPolarHBondContact O-CB 3.39Å; A180-Y184 PolarHBondContact O-N 3.47Å
181	V	89.6	Confident	87.4	Confident	59 Å²	59	67.2 Å²	67.2	36%	0.358	36%	0.355	S	S	.	.	H	α-helix	trans	-58.8	-47	175.6	179.7	0	0	0	0	111.1	P174 S177 T178 Y184 Y185	P174-V181 WeakPolarHBondContact O-CG2 3.41Å; P174-V181 PolarHBondContact O-N 3.34Å; S177-V181 PolarHBondContact O-N 2.86Å; S177-V181 VanDerWaalsContact O-N 3.09Å; T178-V181 PolarHBondContact O-N 3.18Å; V181-Y184 WeakPolarHBondContact O-CB 3.21Å; V181-Y184 PolarHBondContact O-N 3.43Å; V181-Y185 HydrophobicContact CG1-CD2 3.69Å; V181-Y185 HydrophobicContact CG1-CE2 3.49Å; V181-Y185 VanDerWaalsContact CG1-CE2 3.49Å; V181-Y185 VanDerWaalsContact O-CD2 3.25Å; V181-Y185 WeakPolarHBondContact O-CD2 3.38Å; V181-Y185 PolarHBondContact O-N 3.07Å
182	V	91.7	Very high	87.7	Confident	84 Å²	84	67.5 Å²	67.5	51%	0.509	36%	0.362	S	S	.	.	H	α-helix	trans	-63.4	-49.1	179.7	172.1	0	0	0	0	111.1	T178 L179 A180 Y184 Y185 V186	T178-V182 WeakPolarHBondContact O-CG2 3.33Å; T178-V182 PolarHBondContact O-N 3.31Å; L179-V182 PolarHBondContact O-N 2.8Å; A180-V182 PolarHBondContact O-N 3.24Å; V182-Y184 VanDerWaalsContact C-N 3.26Å; V182-Y184 PolarHBondContact O-N 2.9Å; V182-Y185 PolarHBondContact O-N 3.31Å; V182-V186 HydrophobicContact CG1-CG2 4.07Å; V182-V186 WeakPolarHBondContact O-CB 3.32Å; V182-V186 VanDerWaalsContact O-CG2 3.24Å; V182-V186 WeakPolarHBondContact O-CG2 3.42Å; V182-V186 PolarHBondContact O-N 3.4Å
183	L	90	Very high	88.4	Confident	50 Å²	50	65.7 Å²	65.7	26%	0.262	36%	0.356	S	S	.	.	H	α-helix	trans	-57.9	-41.6	177.2	-72.4	175.2	0	0	0	111.3	F171 L179 A180 T187	F171-L183 HydrophobicContact CE1-CD1 4.17Å; F171-L183 HydrophobicContact CZ-CD1 4.43Å; L179-L183 HydrophobicContact CD1-CG 4.43Å; L179-L183 HydrophobicContact CG-CD1 4.09Å; L179-L183 HydrophobicContact CG-CG 4.39Å; L179-L183 WeakPolarHBondContact O-CB 3.33Å; L179-L183 VanDerWaalsContact O-CG 3.31Å; L179-L183 WeakPolarHBondContact O-CG 3.44Å; L179-L183 PolarHBondContact O-N 3.27Å; A180-L183 PolarHBondContact O-N 3.4Å; L183-T187 WeakPolarHBondContact O-CB 3.5Å; L183-T187 VanDerWaalsContact O-CG2 3.24Å; L183-T187 WeakPolarHBondContact O-CG2 3.37Å; L183-T187 PolarHBondContact O-N 3.4Å; L183-T187 PolarHBondContact O-OG1 3.3Å
184	Y	90.5	Very high	89.2	Confident	73 Å²	73	62.7 Å²	62.7	29%	0.286	34%	0.34	S	S	.	.	H	α-helix	trans	-61.2	-46.7	178.1	174.5	-88.9	0	0	0	112.7	P174 A180 V181 V182 T187 G188 H302	P174-Y184 HydrophobicContact CB-CD2 3.96Å; P174-Y184 HydrophobicContact CB-CG 3.97Å; P174-Y184 HydrophobicContact CG-CD2 4.36Å; A180-Y184 VanDerWaalsContact O-CB 3.24Å; A180-Y184 WeakPolarHBondContact O-CB 3.39Å; A180-Y184 PolarHBondContact O-N 3.47Å; V181-Y184 WeakPolarHBondContact O-CB 3.21Å; V181-Y184 PolarHBondContact O-N 3.43Å; V182-Y184 VanDerWaalsContact C-N 3.26Å; V182-Y184 PolarHBondContact O-N 2.9Å; Y184-T187 PolarHBondContact O-OG1 2.84Å; Y184-G188 PolarHBondContact O-N 3.49Å; Y184-G188 VanDerWaalsContact O-N 3.13Å; Y184-H302 AromaticContact CD2-CE1 3.89Å; Y184-H302 AromaticContact CD2-ND1 3.35Å; Y184-H302 VanDerWaalsContact CD2-ND1 3.35Å; Y184-H302 WeakPolarHBondContact CD2-ND1 3.46Å; Y184-H302 HydrophobicContact CE2-CB 4.08Å; Y184-H302 AromaticContact CE2-CG 3.99Å; Y184-H302 AromaticContact CE2-ND1 3.21Å; Y184-H302 WeakPolarHBondContact CE2-ND1 3.36Å; Y184-H302 AromaticContact CG-ND1 3.92Å; Y184-H302 AromaticContact CZ-ND1 3.67Å; Y184-H302 PolarHBondContact O-CE1 3.31Å; Y184-H302 VanDerWaalsContact O-CE1 3.27Å; Y184-H302 PolarHBondContact O-ND1 2.62Å; Y184-H302 PolarHBondContact OH-O 2.93Å
185	Y	91.2	Very high	89.7	Confident	159 Å²	159	61.7 Å²	61.7	62%	0.624	33%	0.333	S	S	*	.	H	α-helix	trans	-72.9	-38.9	178.5	-75	-61.6	0	0	0	113.1	V181 V182 G188 F189	V181-Y185 HydrophobicContact CG1-CD2 3.69Å; V181-Y185 HydrophobicContact CG1-CE2 3.49Å; V181-Y185 VanDerWaalsContact CG1-CE2 3.49Å; V181-Y185 VanDerWaalsContact O-CD2 3.25Å; V181-Y185 WeakPolarHBondContact O-CD2 3.38Å; V181-Y185 PolarHBondContact O-N 3.07Å; V182-Y185 PolarHBondContact O-N 3.31Å; Y185-G188 PolarHBondContact O-N 3.36Å; Y185-F189 WeakPolarHBondContact O-CB 3.17Å; Y185-F189 PolarHBondContact O-N 3.08Å
186	V	92.1	Very high	90.6	Very high	68 Å²	68	59.2 Å²	59.2	41%	0.412	33%	0.325	S	S	.	.	H	α-helix	trans	-63.4	-46.7	178.3	170.7	0	0	0	0	110.7	V182 G188 F189 F190	V182-V186 HydrophobicContact CG1-CG2 4.07Å; V182-V186 WeakPolarHBondContact O-CB 3.32Å; V182-V186 VanDerWaalsContact O-CG2 3.24Å; V182-V186 WeakPolarHBondContact O-CG2 3.42Å; V182-V186 PolarHBondContact O-N 3.4Å; V186-G188 PolarHBondContact O-N 2.96Å; V186-F189 WeakPolarHBondContact O-CB 3.08Å; V186-F189 PolarHBondContact O-N 3.44Å; V186-F190 HydrophobicContact CG1-CD2 3.9Å; V186-F190 HydrophobicContact CG1-CE2 3.88Å; V186-F190 VanDerWaalsContact O-CD2 3.31Å; V186-F190 WeakPolarHBondContact O-CD2 3.26Å; V186-F190 PolarHBondContact O-N 3.37Å; V186-F190 VanDerWaalsContact O-N 3.07Å
187	T	91.2	Very high	91.3	Very high	16 Å²	16	57.1 Å²	57.1	10%	0.098	31%	0.308	C	S	.	.	H	α-helix	trans	-62.4	-43.7	176.4	49.6	0	0	0	0	111.4	L183 Y184 F189 F190 I191 E239 H302	L183-T187 WeakPolarHBondContact O-CB 3.5Å; L183-T187 VanDerWaalsContact O-CG2 3.24Å; L183-T187 WeakPolarHBondContact O-CG2 3.37Å; L183-T187 PolarHBondContact O-N 3.4Å; L183-T187 PolarHBondContact O-OG1 3.3Å; Y184-T187 PolarHBondContact O-OG1 2.84Å; T187-F189 VanDerWaalsContact C-N 3.33Å; T187-F189 PolarHBondContact O-N 2.96Å; T187-F190 PolarHBondContact O-N 3.1Å; T187-I191 VanDerWaalsContact O-CG1 3.25Å; T187-I191 WeakPolarHBondContact O-CG1 3.49Å; T187-I191 PolarHBondContact O-N 2.87Å; T187-E239 HydrophobicContact CG2-CG 3.99Å; T187-H302 PolarHBondContact OG1-CE1 3.06Å
188	G	92.1	Very high	91.6	Very high	15 Å²	15	56.2 Å²	56.2	16%	0.155	30%	0.299	C	S	.	.	H	α-helix	trans	-56.5	-42.6	173.1	0	0	0	0	0	113.7	Y184 Y185 V186 I191 A192	Y184-G188 PolarHBondContact O-N 3.49Å; Y184-G188 VanDerWaalsContact O-N 3.13Å; Y185-G188 PolarHBondContact O-N 3.36Å; V186-G188 PolarHBondContact O-N 2.96Å; G188-I191 PolarHBondContact O-N 2.89Å; G188-A192 PolarHBondContact O-N 3.46Å; G188-A192 VanDerWaalsContact O-N 3.08Å
189	F	93.3	Very high	91.8	Very high	129 Å²	129	54.9 Å²	54.9	57%	0.566	29%	0.286	S	S	*	.	H	α-helix	trans	-62.6	-47.8	176.8	175.1	-100.3	0	0	0	112.2	Y185 V186 T187 I191 A192 V193	Y185-F189 WeakPolarHBondContact O-CB 3.17Å; Y185-F189 PolarHBondContact O-N 3.08Å; V186-F189 WeakPolarHBondContact O-CB 3.08Å; V186-F189 PolarHBondContact O-N 3.44Å; T187-F189 VanDerWaalsContact C-N 3.33Å; T187-F189 PolarHBondContact O-N 2.96Å; F189-I191 VanDerWaalsContact C-N 3.3Å; F189-I191 PolarHBondContact O-N 3.41Å; F189-A192 WeakPolarHBondContact O-CB 3.45Å; F189-A192 PolarHBondContact O-N 3.48Å; F189-A192 VanDerWaalsContact O-N 3.12Å; F189-V193 HydrophobicContact CD1-CG2 4.18Å; F189-V193 HydrophobicContact CD2-CG2 4.49Å; F189-V193 HydrophobicContact CE1-CG2 3.73Å; F189-V193 HydrophobicContact CE2-CG2 4.07Å; F189-V193 HydrophobicContact CZ-CG2 3.67Å; F189-V193 WeakPolarHBondContact O-CG2 3.4Å; F189-V193 PolarHBondContact O-N 3.37Å
190	F	93.9	Very high	92	Very high	60 Å²	60	53.1 Å²	53.1	26%	0.263	28%	0.279	S	S	.	.	H	α-helix	trans	-66.4	-30.9	178.2	-81.5	-76	0	0	0	112.9	V186 T187 S194 L235 F236	V186-F190 HydrophobicContact CG1-CD2 3.9Å; V186-F190 HydrophobicContact CG1-CE2 3.88Å; V186-F190 VanDerWaalsContact O-CD2 3.31Å; V186-F190 WeakPolarHBondContact O-CD2 3.26Å; V186-F190 PolarHBondContact O-N 3.37Å; V186-F190 VanDerWaalsContact O-N 3.07Å; T187-F190 PolarHBondContact O-N 3.1Å; F190-S194 WeakPolarHBondContact O-CB 3.48Å; F190-S194 PolarHBondContact O-N 3.02Å; F190-L235 HydrophobicContact CD1-CD1 3.47Å; F190-L235 VanDerWaalsContact CD1-CD1 3.47Å; F190-L235 HydrophobicContact CD2-CD1 3.73Å; F190-L235 HydrophobicContact CE1-CD1 3.37Å; F190-L235 HydrophobicContact CE2-CD1 3.65Å; F190-L235 HydrophobicContact CG-CD1 3.65Å; F190-L235 HydrophobicContact CZ-CD1 3.47Å; F190-L235 VanDerWaalsContact CZ-CD1 3.47Å; F190-F236 HydrophobicContact CB-CE1 4.11Å; F190-F236 HydrophobicContact CB-CZ 4.44Å
191	I	93.6	Very high	92.1	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-62.4	-46.5	170.1	-62.1	162	0	0	0	110.2	T187 G188 F189 S194 V195 F236 K298 F299	T187-I191 VanDerWaalsContact O-CG1 3.25Å; T187-I191 WeakPolarHBondContact O-CG1 3.49Å; T187-I191 PolarHBondContact O-N 2.87Å; G188-I191 PolarHBondContact O-N 2.89Å; F189-I191 VanDerWaalsContact C-N 3.3Å; F189-I191 PolarHBondContact O-N 3.41Å; I191-S194 PolarHBondContact O-N 3.27Å; I191-V195 HydrophobicContact CG2-CG2 4.46Å; I191-V195 WeakPolarHBondContact O-CG2 3.36Å; I191-V195 PolarHBondContact O-N 3.33Å; I191-F236 HydrophobicContact CB-CZ 4.31Å; I191-F236 HydrophobicContact CG1-CE1 3.72Å; I191-F236 HydrophobicContact CG1-CZ 3.67Å; I191-K298 HydrophobicContact CD1-CB 3.91Å; I191-K298 HydrophobicContact CD1-CD 3.82Å; I191-K298 HydrophobicContact CD1-CG 3.61Å; I191-K298 HydrophobicContact CG1-CB 4.3Å; I191-K298 HydrophobicContact CG1-CD 3.99Å; I191-K298 HydrophobicContact CG1-CG 4.23Å; I191-K298 HydrophobicContact CG2-CB 4.49Å; I191-F299 HydrophobicContact CB-CE1 4.39Å; I191-F299 HydrophobicContact CB-CE2 4.28Å; I191-F299 HydrophobicContact CB-CZ 4.1Å; I191-F299 HydrophobicContact CG2-CD1 4.35Å; I191-F299 HydrophobicContact CG2-CD2 3.56Å; I191-F299 HydrophobicContact CG2-CE1 4.19Å; I191-F299 HydrophobicContact CG2-CE2 3.38Å; I191-F299 HydrophobicContact CG2-CG 4.06Å; I191-F299 HydrophobicContact CG2-CZ 3.71Å
192	A	93.9	Very high	92.1	Very high	34 Å²	34	57 Å²	57	28%	0.281	30%	0.301	S	S	.	.	H	α-helix	trans	-60.4	-48.7	177.1	0	0	0	0	0	111.9	G188 F189 S194 V195 L196 F299	G188-A192 PolarHBondContact O-N 3.46Å; G188-A192 VanDerWaalsContact O-N 3.08Å; F189-A192 WeakPolarHBondContact O-CB 3.45Å; F189-A192 PolarHBondContact O-N 3.48Å; F189-A192 VanDerWaalsContact O-N 3.12Å; A192-S194 VanDerWaalsContact C-N 3.3Å; A192-S194 PolarHBondContact O-N 2.99Å; A192-V195 PolarHBondContact O-N 3.22Å; A192-L196 WeakPolarHBondContact O-CB 3.36Å; A192-L196 VanDerWaalsContact O-CG 3.28Å; A192-L196 WeakPolarHBondContact O-CG 3.28Å; A192-L196 PolarHBondContact O-N 3Å; A192-F299 HydrophobicContact CB-CZ 4.07Å
193	V	94.3	Very high	92	Very high	39 Å²	39	56.5 Å²	56.5	24%	0.236	30%	0.298	C	S	.	.	H	α-helix	trans	-58.1	-44.1	177	171.5	0	0	0	0	111	F189 L196 A197 L228	F189-V193 HydrophobicContact CD1-CG2 4.18Å; F189-V193 HydrophobicContact CD2-CG2 4.49Å; F189-V193 HydrophobicContact CE1-CG2 3.73Å; F189-V193 HydrophobicContact CE2-CG2 4.07Å; F189-V193 HydrophobicContact CZ-CG2 3.67Å; F189-V193 WeakPolarHBondContact O-CG2 3.4Å; F189-V193 PolarHBondContact O-N 3.37Å; V193-L196 PolarHBondContact O-N 3.32Å; V193-A197 VanDerWaalsContact O-CB 3.28Å; V193-A197 WeakPolarHBondContact O-CB 3.39Å; V193-A197 PolarHBondContact O-N 3.45Å; V193-L228 HydrophobicContact CG1-CD1 4.19Å; V193-L228 HydrophobicContact CG1-CD2 4.24Å; V193-L228 HydrophobicContact CG1-CG 4.4Å
194	S	93.1	Very high	92	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-63.6	-45.9	178	-165.2	0	0	0	0	111.5	F190 I191 A192 A197 N198 R295	F190-S194 WeakPolarHBondContact O-CB 3.48Å; F190-S194 PolarHBondContact O-N 3.02Å; I191-S194 PolarHBondContact O-N 3.27Å; A192-S194 VanDerWaalsContact C-N 3.3Å; A192-S194 PolarHBondContact O-N 2.99Å; S194-A197 PolarHBondContact O-N 2.92Å; S194-N198 PolarHBondContact O-N 2.59Å; S194-N198 VanDerWaalsContact O-N 3.09Å; S194-R295 PolarHBondContact O-NE 2.99Å; S194-R295 PolarHBondContact O-NH2 2.9Å; S194-R295 VanDerWaalsContact OG-CD 3.25Å; S194-R295 WeakPolarHBondContact OG-CD 3.43Å; S194-R295 PolarHBondContact OG-NE 3.09Å; S194-R295 PolarHBondContact OG-NH1 3Å; S194-R295 PolarHBondContact OG-NH2 2.82Å
195	V	92.9	Very high	91.8	Very high	29 Å²	29	56.3 Å²	56.3	18%	0.176	31%	0.311	C	S	.	.	H	α-helix	trans	-63.4	-44.1	176.1	173.6	0	0	0	0	111.7	I191 A192 A197 N198 I199 R295 I296 F299	I191-V195 HydrophobicContact CG2-CG2 4.46Å; I191-V195 WeakPolarHBondContact O-CG2 3.36Å; I191-V195 PolarHBondContact O-N 3.33Å; A192-V195 PolarHBondContact O-N 3.22Å; V195-A197 VanDerWaalsContact C-N 3.34Å; V195-A197 PolarHBondContact O-N 2.81Å; V195-N198 WeakPolarHBondContact O-CB 3.48Å; V195-N198 PolarHBondContact O-N 3.47Å; V195-I199 HydrophobicContact CG1-CD1 4.15Å; V195-I199 WeakPolarHBondContact O-CG1 3.44Å; V195-I199 PolarHBondContact O-N 3.19Å; V195-I199 VanDerWaalsContact O-N 3.16Å; V195-R295 HydrophobicContact CG2-CG 4.23Å; V195-I296 HydrophobicContact CG2-CB 4.35Å; V195-I296 HydrophobicContact CG2-CG1 4.39Å; V195-F299 HydrophobicContact CG2-CE2 4.45Å
196	L	93.4	Very high	91.4	Very high	107 Å²	107	50.2 Å²	50.2	56%	0.56	30%	0.297	S	S	*	.	H	α-helix	trans	-62	-42	176.2	-70.8	171.7	0	0	0	111.6	A192 V193 N198 I199 T200	A192-L196 WeakPolarHBondContact O-CB 3.36Å; A192-L196 VanDerWaalsContact O-CG 3.28Å; A192-L196 WeakPolarHBondContact O-CG 3.28Å; A192-L196 PolarHBondContact O-N 3Å; V193-L196 PolarHBondContact O-N 3.32Å; L196-N198 PolarHBondContact O-N 2.87Å; L196-I199 PolarHBondContact O-N 3Å; L196-I199 VanDerWaalsContact O-N 3.15Å; L196-T200 WeakPolarHBondContact O-CG2 3.32Å; L196-T200 PolarHBondContact O-N 3Å; L196-T200 PolarHBondContact O-OG1 2.78Å; L196-T200 VanDerWaalsContact O-OG1 3.08Å
197	A	92.5	Very high	90.9	Very high	7 Å²	7	52.4 Å²	52.4	6%	0.058	31%	0.305	C	S	.	.	H	α-helix	trans	-58.3	-46.2	175.8	0	0	0	0	0	111.6	V193 S194 V195 I199 T200 E201 F225 L228	V193-A197 VanDerWaalsContact O-CB 3.28Å; V193-A197 WeakPolarHBondContact O-CB 3.39Å; V193-A197 PolarHBondContact O-N 3.45Å; S194-A197 PolarHBondContact O-N 2.92Å; V195-A197 VanDerWaalsContact C-N 3.34Å; V195-A197 PolarHBondContact O-N 2.81Å; A197-I199 VanDerWaalsContact C-N 3.29Å; A197-I199 PolarHBondContact O-N 3.47Å; A197-T200 WeakPolarHBondContact CA-OG1 3.37Å; A197-T200 PolarHBondContact O-N 3.32Å; A197-T200 PolarHBondContact O-OG1 2.93Å; A197-E201 WeakPolarHBondContact O-CB 3.43Å; A197-E201 PolarHBondContact O-N 3.38Å; A197-F225 HydrophobicContact CB-CD1 4.43Å; A197-F225 HydrophobicContact CB-CE1 4.37Å; A197-F225 WeakPolarHBondContact O-CE1 3.21Å; A197-L228 HydrophobicContact CB-CD1 4.2Å; A197-L228 HydrophobicContact CB-CD2 3.4Å; A197-L228 VanDerWaalsContact CB-CD2 3.4Å; A197-L228 HydrophobicContact CB-CG 4.46Å
198	N	89.7	Confident	90.2	Very high	28 Å²	28	52.7 Å²	52.7	15%	0.15	31%	0.308	C	S	.	.	H	α-helix	trans	-56.6	-42.2	175.2	-96.6	-8.9	0	0	0	112.6	S194 V195 L196 R292 R295	S194-N198 PolarHBondContact O-N 2.59Å; S194-N198 VanDerWaalsContact O-N 3.09Å; V195-N198 WeakPolarHBondContact O-CB 3.48Å; V195-N198 PolarHBondContact O-N 3.47Å; L196-N198 PolarHBondContact O-N 2.87Å; N198-R292 WeakPolarHBondContact ND2-CB 3.22Å; N198-R292 PolarHBondContact ND2-O 3.08Å; N198-R292 WeakPolarHBondContact OD1-CD 3.2Å; N198-R295 PolarHBondContact ND2-NE 2.99Å; N198-R295 PolarHBondContact ND2-NH2 3.21Å; N198-R295 VanDerWaalsContact ND2-NH2 3.19Å; N198-R295 VanDerWaalsContact OD1-CZ 3.25Å; N198-R295 PolarHBondContact OD1-NH2 2.72Å
199	I	91.8	Very high	89.4	Confident	95 Å²	95	59.2 Å²	59.2	49%	0.487	34%	0.344	S	S	.	.	H	α-helix	trans	-66.2	-52.2	179	-64.2	165	0	0	0	108.9	V195 L196 A197 E201 T202	V195-I199 HydrophobicContact CG1-CD1 4.15Å; V195-I199 WeakPolarHBondContact O-CG1 3.44Å; V195-I199 PolarHBondContact O-N 3.19Å; V195-I199 VanDerWaalsContact O-N 3.16Å; L196-I199 PolarHBondContact O-N 3Å; L196-I199 VanDerWaalsContact O-N 3.15Å; A197-I199 VanDerWaalsContact C-N 3.29Å; A197-I199 PolarHBondContact O-N 3.47Å; I199-E201 VanDerWaalsContact C-N 3.28Å; I199-E201 PolarHBondContact O-N 2.83Å; I199-T202 PolarHBondContact O-N 3.31Å; I199-T202 VanDerWaalsContact O-N 3.11Å; I199-T202 PolarHBondContact O-OG1 3.12Å
200	T	92.4	Very high	88.5	Confident	62 Å²	62	61.9 Å²	61.9	38%	0.38	36%	0.359	S	S	.	.	H	α-helix	trans	-64.3	-29.2	-178	56.9	0	0	0	0	113.4	L196 A197 T202 V203 C217 F225	L196-T200 WeakPolarHBondContact O-CG2 3.32Å; L196-T200 PolarHBondContact O-N 3Å; L196-T200 PolarHBondContact O-OG1 2.78Å; L196-T200 VanDerWaalsContact O-OG1 3.08Å; A197-T200 WeakPolarHBondContact CA-OG1 3.37Å; A197-T200 PolarHBondContact O-N 3.32Å; A197-T200 PolarHBondContact O-OG1 2.93Å; T200-T202 PolarHBondContact O-N 3.43Å; T200-V203 PolarHBondContact O-N 3.44Å; T200-C217 VanDerWaalsContact O-CB 3.29Å; T200-C217 WeakPolarHBondContact O-CB 3.22Å; T200-F225 VanDerWaalsContact OG1-CE1 3.29Å; T200-F225 WeakPolarHBondContact OG1-CE1 3.4Å; T200-F225 WeakPolarHBondContact OG1-CZ 3.42Å
201	E	90.4	Very high	87.7	Confident	33 Å²	33	63.1 Å²	63.1	15%	0.154	37%	0.371	C	S	.	.	H	α-helix	trans	-58	-31.2	175.6	-168.4	-178.4	176.3	0	0	111.4	A197 I199 G218 F225 R292	A197-E201 WeakPolarHBondContact O-CB 3.43Å; A197-E201 PolarHBondContact O-N 3.38Å; I199-E201 VanDerWaalsContact C-N 3.28Å; I199-E201 PolarHBondContact O-N 2.83Å; E201-G218 PolarHBondContact O-N 2.82Å; E201-F225 HydrophobicContact CB-CD1 4.08Å; E201-F225 HydrophobicContact CB-CE1 4Å; E201-F225 HydrophobicContact CB-CZ 4.38Å; E201-F225 HydrophobicContact CG-CD1 4.35Å; E201-F225 HydrophobicContact CG-CG 4.38Å; E201-R292 IonicContact OE1-NH1 3.37Å; E201-R292 PolarHBondContact OE1-NH1 2.76Å; E201-R292 IonicContact OE2-NH1 3.71Å; E201-R292 PolarHBondContact OE2-NH1 2.84Å
202	T	89.3	Confident	87	Confident	108 Å²	108	65.9 Å²	65.9	66%	0.663	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-9.2	-177.3	65.5	0	0	0	0	114.9	I199 T200	I199-T202 PolarHBondContact O-N 3.31Å; I199-T202 VanDerWaalsContact O-N 3.11Å; I199-T202 PolarHBondContact O-OG1 3.12Å; T200-T202 PolarHBondContact O-N 3.43Å
203	V	91.1	Very high	86.5	Confident	74 Å²	74	70.7 Å²	70.7	45%	0.448	42%	0.416	S	S	.	.	S	Bend	trans	-72	143.7	178.9	176.1	0	0	0	0	109.9	T200 C205 P216 C217	T200-V203 PolarHBondContact O-N 3.44Å; V203-C205 PolarHBondContact O-N 2.85Å; V203-P216 CarbonylContact O-C 3.49Å; V203-P216 WeakPolarHBondContact O-CA 3.4Å; V203-C217 PolarHBondContact O-N 2.75Å; V203-C217 PolarHBondContact O-SG 2.7Å
204	S	89.9	Confident	86	Confident	74 Å²	74	74.2 Å²	74.2	52%	0.517	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	120.2	174.9	55.3	0	0	0	0	111.2
205	C	85.5	Confident	85.6	Confident	45 Å²	45	76.4 Å²	76.4	30%	0.304	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	12.5	-176.5	-96.7	0	0	0	0	113.9	V203 I215 C217 K220	V203-C205 PolarHBondContact O-N 2.85Å; C205-I215 PolarHBondContact N-O 3.34Å; C205-C217 HydrophobicContact CB-CB 3.75Å; C205-C217 WeakPolarHBondContact CB-SG 3.4Å; C205-C217 WeakPolarHBondContact SG-CB 3.47Å; C205-C217 CovalentContact SG-SG 2.01Å; C205-C217 PolarHBondContact SG-SG 2.75Å; C205-K220 HydrophobicContact CB-CD 4.05Å; C205-K220 PolarHBondContact O-NZ 2.76Å
206	G	83.1	Confident	85.5	Confident	32 Å²	32	76.8 Å²	76.8	33%	0.33	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	157.4	175.7	179.6	0	0	0	0	0	111.7	I215	G206-I215 PolarHBondContact O-N 3.11Å
207	I	80.7	Confident	85.3	Confident	114 Å²	114	72.1 Å²	72.1	59%	0.585	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.9	132.7	176.8	-59.9	168.2	0	0	0	107.1	V209 E213	I207-V209 PolarHBondContact O-N 3.4Å; I207-E213 WeakPolarHBondContact CA-O 3.47Å
208	S	77.9	Confident	85.1	Confident	22 Å²	22	72 Å²	72	15%	0.154	42%	0.424	C	S	.	.			trans	-64.2	127	172.7	-177.4	0	0	0	0	109.8	E210 T211 G212 E213	S208-E210 PolarHBondContact O-N 2.9Å; S208-E210 PolarHBondContact OG-N 2.93Å; S208-T211 VanDerWaalsContact CB-OG1 3.28Å; S208-T211 WeakPolarHBondContact CB-OG1 3.3Å; S208-T211 PolarHBondContact OG-OG1 2.81Å; S208-G212 WeakPolarHBondContact O-CA 3.33Å; S208-G212 PolarHBondContact O-N 3.34Å; S208-E213 PolarHBondContact N-O 3.33Å
209	V	74.8	Confident	85	Confident	152 Å²	152	76.4 Å²	76.4	92%	0.921	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-25.8	177	-176.7	0	0	0	0	111	I207	I207-V209 PolarHBondContact O-N 3.4Å
210	E	75	Confident	84.8	Confident	185 Å²	185	77.1 Å²	77.1	86%	0.864	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-38	-175	-62.5	-174.9	170.4	0	0	113.4	S208	S208-E210 PolarHBondContact O-N 2.9Å; S208-E210 PolarHBondContact OG-N 2.93Å
211	T	76.9	Confident	84.8	Confident	86 Å²	86	79.8 Å²	79.8	53%	0.528	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	-13.5	-174.6	59.3	0	0	0	0	113.8	S208 E213	S208-T211 VanDerWaalsContact CB-OG1 3.28Å; S208-T211 WeakPolarHBondContact CB-OG1 3.3Å; S208-T211 PolarHBondContact OG-OG1 2.81Å; T211-E213 PolarHBondContact O-N 3.05Å; T211-E213 PolarHBondContact OG1-N 3.5Å
212	G	79.2	Confident	84.7	Confident	58 Å²	58	82.8 Å²	82.8	60%	0.598	46%	0.464	S	S	*	.			trans	68	7.5	-171.7	0	0	0	0	0	113.9	S208	S208-G212 WeakPolarHBondContact O-CA 3.33Å; S208-G212 PolarHBondContact O-N 3.34Å
213	E	83	Confident	84.8	Confident	135 Å²	135	81.4 Å²	81.4	63%	0.631	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-90	153.3	-178.9	-63.8	-178.7	145.2	0	0	111.8	I207 S208 T211 I215	I207-E213 WeakPolarHBondContact CA-O 3.47Å; S208-E213 PolarHBondContact N-O 3.33Å; T211-E213 PolarHBondContact O-N 3.05Å; T211-E213 PolarHBondContact OG1-N 3.5Å; E213-I215 PolarHBondContact O-N 3.35Å
214	N	83.5	Confident	85	Confident	113 Å²	113	80.9 Å²	80.9	60%	0.604	47%	0.467	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70	117.6	177.2	-70.7	-54.1	0	0	0	110.5
215	I	85.5	Confident	85.1	Confident	46 Å²	46	78.9 Å²	78.9	24%	0.236	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	124.5	176.5	-59.6	167.7	0	0	0	108.9	C205 G206 E213 E219 K220	C205-I215 PolarHBondContact N-O 3.34Å; G206-I215 PolarHBondContact O-N 3.11Å; E213-I215 PolarHBondContact O-N 3.35Å; I215-E219 HydrophobicContact CG2-CB 3.89Å; I215-K220 HydrophobicContact CG2-CB 4.31Å
216	P	89.5	Confident	85.4	Confident	37 Å²	37	82.3 Å²	82.3	24%	0.24	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	146.4	173.5	28	-33.3	0	0	0	111.2	V203 G218 E219 K220	V203-P216 CarbonylContact O-C 3.49Å; V203-P216 WeakPolarHBondContact O-CA 3.4Å; P216-G218 PolarHBondContact O-N 3.24Å; P216-G218 VanDerWaalsContact O-N 3.1Å; P216-E219 HydrophobicContact CG-CB 4.17Å; P216-E219 HydrophobicContact CG-CG 3.87Å; P216-E219 PolarHBondContact O-N 3.06Å; P216-K220 PolarHBondContact O-N 3.38Å
217	C	90.5	Very high	85.9	Confident	9 Å²	9	84.9 Å²	84.9	6%	0.061	47%	0.471	C	S	.	.	H	α-helix	trans	-55.7	-31.4	179.6	-56.6	0	0	0	0	112.4	T200 V203 C205 E219 K220 Y221 F225	T200-C217 VanDerWaalsContact O-CB 3.29Å; T200-C217 WeakPolarHBondContact O-CB 3.22Å; V203-C217 PolarHBondContact O-N 2.75Å; V203-C217 PolarHBondContact O-SG 2.7Å; C205-C217 HydrophobicContact CB-CB 3.75Å; C205-C217 WeakPolarHBondContact CB-SG 3.4Å; C205-C217 WeakPolarHBondContact SG-CB 3.47Å; C205-C217 CovalentContact SG-SG 2.01Å; C205-C217 PolarHBondContact SG-SG 2.75Å; C217-E219 VanDerWaalsContact C-N 3.3Å; C217-E219 PolarHBondContact O-N 3.31Å; C217-K220 PolarHBondContact O-N 3.28Å; C217-Y221 PolarHBondContact O-N 2.87Å; C217-F225 HydrophobicContact CB-CE2 3.97Å; C217-F225 HydrophobicContact CB-CZ 4.3Å; C217-F225 WeakPolarHBondContact O-CE2 3.43Å
218	G	87.9	Confident	86.5	Confident	5 Å²	5	82.2 Å²	82.2	5%	0.052	46%	0.458	C	S	.	.	H	α-helix	trans	-60.8	-32.8	175.7	0	0	0	0	0	114.7	E201 P216 N222	E201-G218 PolarHBondContact O-N 2.82Å; P216-G218 PolarHBondContact O-N 3.24Å; P216-G218 VanDerWaalsContact O-N 3.1Å; G218-N222 WeakPolarHBondContact O-CA 3.5Å; G218-N222 WeakPolarHBondContact O-CB 3.19Å; G218-N222 PolarHBondContact O-N 2.98Å
219	E	86.4	Confident	87.2	Confident	120 Å²	120	81.5 Å²	81.5	56%	0.561	45%	0.452	S	S	*	.	H	α-helix	trans	-82	-44.4	176.8	-73.7	-179.9	-171.2	0	0	111	I215 P216 C217 Y221	I215-E219 HydrophobicContact CG2-CB 3.89Å; P216-E219 HydrophobicContact CG-CB 4.17Å; P216-E219 HydrophobicContact CG-CG 3.87Å; P216-E219 PolarHBondContact O-N 3.06Å; C217-E219 VanDerWaalsContact C-N 3.3Å; C217-E219 PolarHBondContact O-N 3.31Å; E219-Y221 PolarHBondContact O-N 3.01Å
220	K	88.1	Confident	88	Confident	110 Å²	110	76.3 Å²	76.3	48%	0.478	42%	0.42	S	S	.	.	H	α-helix	trans	-62.2	-41.3	178.7	-171.1	179.5	-175.4	-174.3	0	112.8	C205 I215 P216 C217	C205-K220 HydrophobicContact CB-CD 4.05Å; C205-K220 PolarHBondContact O-NZ 2.76Å; I215-K220 HydrophobicContact CG2-CB 4.31Å; P216-K220 PolarHBondContact O-N 3.38Å; C217-K220 PolarHBondContact O-N 3.28Å
221	Y	91.6	Very high	89	Confident	118 Å²	118	69.7 Å²	69.7	46%	0.463	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.8	41.1	-177.9	-59.2	-70.9	0	0	0	111.9	C217 E219 A223 A224 F225	C217-Y221 PolarHBondContact O-N 2.87Å; E219-Y221 PolarHBondContact O-N 3.01Å; Y221-A223 VanDerWaalsContact C-N 3.31Å; Y221-A223 PolarHBondContact O-N 2.73Å; Y221-A224 PolarHBondContact O-N 2.86Å; Y221-F225 WeakPolarHBondContact O-CD2 3.41Å; Y221-F225 PolarHBondContact O-N 3.06Å; Y221-F225 VanDerWaalsContact O-N 3.12Å
222	N	89.4	Confident	89.8	Confident	96 Å²	96	65.7 Å²	65.7	51%	0.513	37%	0.373	S	S	.	.	H	α-helix	trans	-52.2	-44.9	-174.6	-172.3	-91	0	0	0	113.6	G218 A224 F225 F226	G218-N222 WeakPolarHBondContact O-CA 3.5Å; G218-N222 WeakPolarHBondContact O-CB 3.19Å; G218-N222 PolarHBondContact O-N 2.98Å; N222-A224 VanDerWaalsContact C-N 3.33Å; N222-A224 PolarHBondContact O-N 2.87Å; N222-F225 PolarHBondContact O-N 2.9Å; N222-F226 WeakPolarHBondContact O-CB 3.48Å; N222-F226 PolarHBondContact O-N 3.2Å
223	A	92.2	Very high	90.5	Very high	79 Å²	79	63 Å²	63	65%	0.653	35%	0.345	S	S	*	.	H	α-helix	trans	-62.5	-37.7	179.6	0	0	0	0	0	113.1	Y221 C227	Y221-A223 VanDerWaalsContact C-N 3.31Å; Y221-A223 PolarHBondContact O-N 2.73Å; A223-C227 VanDerWaalsContact O-CB 3.26Å; A223-C227 WeakPolarHBondContact O-CB 3.21Å; A223-C227 PolarHBondContact O-N 3.03Å
224	A	93.9	Very high	91.1	Very high	62 Å²	62	61.1 Å²	61.1	51%	0.512	34%	0.339	S	S	.	.	H	α-helix	trans	-70.9	-46.6	179.9	0	0	0	0	0	111.2	Y221 N222 C227 L228	Y221-A224 PolarHBondContact O-N 2.86Å; N222-A224 VanDerWaalsContact C-N 3.33Å; N222-A224 PolarHBondContact O-N 2.87Å; A224-C227 PolarHBondContact O-N 3.2Å; A224-L228 WeakPolarHBondContact O-CB 3.38Å; A224-L228 PolarHBondContact O-N 3Å
225	F	92.8	Very high	91.6	Very high	33 Å²	33	59.1 Å²	59.1	15%	0.145	33%	0.328	C	S	.	.	H	α-helix	trans	-64.9	-40.3	176.1	-80.3	-73	0	0	0	112.3	A197 T200 E201 C217 Y221 N222 L228 D229	A197-F225 HydrophobicContact CB-CD1 4.43Å; A197-F225 HydrophobicContact CB-CE1 4.37Å; A197-F225 WeakPolarHBondContact O-CE1 3.21Å; T200-F225 VanDerWaalsContact OG1-CE1 3.29Å; T200-F225 WeakPolarHBondContact OG1-CE1 3.4Å; T200-F225 WeakPolarHBondContact OG1-CZ 3.42Å; E201-F225 HydrophobicContact CB-CD1 4.08Å; E201-F225 HydrophobicContact CB-CE1 4Å; E201-F225 HydrophobicContact CB-CZ 4.38Å; E201-F225 HydrophobicContact CG-CD1 4.35Å; E201-F225 HydrophobicContact CG-CG 4.38Å; C217-F225 HydrophobicContact CB-CE2 3.97Å; C217-F225 HydrophobicContact CB-CZ 4.3Å; C217-F225 WeakPolarHBondContact O-CE2 3.43Å; Y221-F225 WeakPolarHBondContact O-CD2 3.41Å; Y221-F225 PolarHBondContact O-N 3.06Å; Y221-F225 VanDerWaalsContact O-N 3.12Å; N222-F225 PolarHBondContact O-N 2.9Å; F225-L228 PolarHBondContact O-N 2.84Å; F225-D229 VanDerWaalsContact O-CB 3.29Å; F225-D229 WeakPolarHBondContact O-CB 3.39Å; F225-D229 PolarHBondContact O-N 3.33Å
226	F	90.5	Very high	92.1	Very high	117 Å²	117	57 Å²	57	51%	0.513	32%	0.317	S	S	.	.	H	α-helix	trans	-60.7	-50.3	174.5	-178.5	-100.4	0	0	0	111.1	N222 L228 D229 T230	N222-F226 WeakPolarHBondContact O-CB 3.48Å; N222-F226 PolarHBondContact O-N 3.2Å; F226-L228 VanDerWaalsContact C-N 3.34Å; F226-L228 PolarHBondContact O-N 2.85Å; F226-D229 PolarHBondContact O-N 3.07Å; F226-T230 WeakPolarHBondContact O-CB 3.42Å; F226-T230 PolarHBondContact O-N 2.89Å; F226-T230 PolarHBondContact O-OG1 3.39Å
227	C	94	Very high	92.4	Very high	85 Å²	85	56 Å²	56	57%	0.574	31%	0.31	S	S	*	.	H	α-helix	trans	-58.3	-44.4	178	-176.5	0	0	0	0	112.2	A223 A224 A231	A223-C227 VanDerWaalsContact O-CB 3.26Å; A223-C227 WeakPolarHBondContact O-CB 3.21Å; A223-C227 PolarHBondContact O-N 3.03Å; A224-C227 PolarHBondContact O-N 3.2Å; C227-A231 WeakPolarHBondContact O-CB 3.44Å; C227-A231 PolarHBondContact O-N 2.86Å
228	L	93.9	Very high	92.6	Very high	59 Å²	59	60.2 Å²	60.2	31%	0.309	33%	0.331	S	S	.	.	H	α-helix	trans	-64.9	-47.1	178	-174.3	159.1	0	0	0	111.9	V193 A197 A224 F225 F226 A231 C232	V193-L228 HydrophobicContact CG1-CD1 4.19Å; V193-L228 HydrophobicContact CG1-CD2 4.24Å; V193-L228 HydrophobicContact CG1-CG 4.4Å; A197-L228 HydrophobicContact CB-CD1 4.2Å; A197-L228 HydrophobicContact CB-CD2 3.4Å; A197-L228 VanDerWaalsContact CB-CD2 3.4Å; A197-L228 HydrophobicContact CB-CG 4.46Å; A224-L228 WeakPolarHBondContact O-CB 3.38Å; A224-L228 PolarHBondContact O-N 3Å; F225-L228 PolarHBondContact O-N 2.84Å; F226-L228 VanDerWaalsContact C-N 3.34Å; F226-L228 PolarHBondContact O-N 2.85Å; L228-A231 PolarHBondContact O-N 2.87Å; L228-C232 PolarHBondContact O-N 3.49Å; L228-C232 PolarHBondContact O-SG 3.17Å
229	D	92.2	Very high	92.9	Very high	7 Å²	7	60.6 Å²	60.6	4%	0.037	33%	0.331	C	S	.	.	H	α-helix	trans	-62.8	-44.8	179.2	-162.1	39.9	0	0	0	110.3	F225 F226 A231 C232 V233 R292 R295	F225-D229 VanDerWaalsContact O-CB 3.29Å; F225-D229 WeakPolarHBondContact O-CB 3.39Å; F225-D229 PolarHBondContact O-N 3.33Å; F226-D229 PolarHBondContact O-N 3.07Å; D229-A231 PolarHBondContact O-N 3.46Å; D229-C232 PolarHBondContact O-N 2.83Å; D229-V233 WeakPolarHBondContact O-CB 3.44Å; D229-V233 VanDerWaalsContact O-CG2 3.28Å; D229-V233 WeakPolarHBondContact O-CG2 3.33Å; D229-V233 PolarHBondContact O-N 3.36Å; D229-R292 IonicContact OD2-CZ 3.85Å; D229-R292 VanDerWaalsContact OD2-CZ 3.3Å; D229-R292 IonicContact OD2-NE 3.34Å; D229-R292 PolarHBondContact OD2-NE 2.85Å; D229-R292 IonicContact OD2-NH2 3.89Å; D229-R292 PolarHBondContact OD2-NH2 3.32Å; D229-R295 IonicContact OD1-CZ 2.66Å; D229-R295 IonicContact OD1-NH1 2.88Å; D229-R295 PolarHBondContact OD1-NH1 3.29Å; D229-R295 IonicContact OD1-NH2 3.38Å
230	T	92.9	Very high	93.3	Very high	42 Å²	42	56.1 Å²	56.1	26%	0.258	31%	0.309	S	S	.	.	H	α-helix	trans	-57.6	-46.4	174	-59.4	0	0	0	0	111.7	F226 L234 Y269	F226-T230 WeakPolarHBondContact O-CB 3.42Å; F226-T230 PolarHBondContact O-N 2.89Å; F226-T230 PolarHBondContact O-OG1 3.39Å; T230-L234 VanDerWaalsContact O-CB 3.26Å; T230-L234 WeakPolarHBondContact O-CB 3.31Å; T230-L234 PolarHBondContact O-N 3.47Å; T230-Y269 WeakPolarHBondContact CB-OH 3.43Å; T230-Y269 VanDerWaalsContact CG2-OH 3.32Å; T230-Y269 WeakPolarHBondContact CG2-OH 3.37Å; T230-Y269 PolarHBondContact OG1-OH 3.34Å
231	A	94.6	Very high	93.6	Very high	46 Å²	46	55.9 Å²	55.9	38%	0.38	31%	0.313	S	S	.	.	H	α-helix	trans	-62.7	-45.2	178.9	0	0	0	0	0	111.9	C227 L228 D229 L234 L235	C227-A231 WeakPolarHBondContact O-CB 3.44Å; C227-A231 PolarHBondContact O-N 2.86Å; L228-A231 PolarHBondContact O-N 2.87Å; D229-A231 PolarHBondContact O-N 3.46Å; A231-L234 PolarHBondContact O-N 2.85Å; A231-L235 WeakPolarHBondContact O-CG 3.47Å; A231-L235 PolarHBondContact O-N 3Å; A231-L235 VanDerWaalsContact O-N 3.09Å
232	C	94.6	Very high	93.7	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.014	30%	0.3	C	S	.	.	H	α-helix	trans	-64.9	-45.1	178.7	-66.1	0	0	0	0	112	L228 D229 L235 F236	L228-C232 PolarHBondContact O-N 3.49Å; L228-C232 PolarHBondContact O-SG 3.17Å; D229-C232 PolarHBondContact O-N 2.83Å; C232-L235 PolarHBondContact O-N 2.74Å; C232-F236 HydrophobicContact CB-CE2 4.45Å; C232-F236 WeakPolarHBondContact O-CD2 3.18Å; C232-F236 VanDerWaalsContact O-CG 3.27Å; C232-F236 WeakPolarHBondContact O-CG 3.26Å; C232-F236 PolarHBondContact O-N 2.94Å
233	V	94.1	Very high	93.8	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.012	28%	0.277	C	S	.	.	H	α-helix	trans	-65.5	-40.5	179	172.3	0	0	0	0	111	D229 L235 F236 T237 V266 Y269 Y270	D229-V233 WeakPolarHBondContact O-CB 3.44Å; D229-V233 VanDerWaalsContact O-CG2 3.28Å; D229-V233 WeakPolarHBondContact O-CG2 3.33Å; D229-V233 PolarHBondContact O-N 3.36Å; V233-L235 VanDerWaalsContact C-N 3.32Å; V233-L235 PolarHBondContact O-N 3.31Å; V233-F236 PolarHBondContact O-N 3.48Å; V233-T237 HydrophobicContact CG1-CG2 4.02Å; V233-T237 WeakPolarHBondContact O-CB 3.26Å; V233-T237 WeakPolarHBondContact O-CG2 3.18Å; V233-T237 PolarHBondContact O-N 3.03Å; V233-T237 PolarHBondContact O-OG1 2.87Å; V233-V266 HydrophobicContact CG1-CB 4.22Å; V233-V266 HydrophobicContact CG1-CG1 4.4Å; V233-Y269 HydrophobicContact CB-CD1 4.26Å; V233-Y269 HydrophobicContact CB-CD2 4.42Å; V233-Y269 HydrophobicContact CB-CG 4.11Å; V233-Y269 HydrophobicContact CG1-CD1 3.66Å; V233-Y269 HydrophobicContact CG1-CE1 4.35Å; V233-Y269 HydrophobicContact CG1-CG 3.83Å; V233-Y269 HydrophobicContact CG2-CD2 4.03Å; V233-Y269 HydrophobicContact CG2-CG 3.87Å; V233-Y270 HydrophobicContact CG1-CD2 4.46Å; V233-Y270 HydrophobicContact CG1-CE2 3.79Å
234	L	94.8	Very high	93.9	Very high	95 Å²	95	45 Å²	45	50%	0.497	26%	0.255	S	S	.	.	H	α-helix	trans	-60.9	-41.5	175.6	-175.2	64.6	0	0	0	111.6	T230 A231 T237 I238	T230-L234 VanDerWaalsContact O-CB 3.26Å; T230-L234 WeakPolarHBondContact O-CB 3.31Å; T230-L234 PolarHBondContact O-N 3.47Å; A231-L234 PolarHBondContact O-N 2.85Å; L234-T237 WeakPolarHBondContact CA-OG1 3Å; L234-T237 PolarHBondContact O-N 3.42Å; L234-T237 PolarHBondContact O-OG1 2.85Å; L234-I238 HydrophobicContact CD1-CD1 4.25Å; L234-I238 HydrophobicContact CG-CD1 3.99Å; L234-I238 WeakPolarHBondContact O-CB 3.34Å; L234-I238 WeakPolarHBondContact O-CD1 3.49Å; L234-I238 VanDerWaalsContact O-CG1 3.23Å; L234-I238 WeakPolarHBondContact O-CG1 3.38Å; L234-I238 PolarHBondContact O-N 2.83Å
235	L	94.8	Very high	93.9	Very high	71 Å²	71	48.6 Å²	48.6	37%	0.372	26%	0.256	S	S	.	.	H	α-helix	trans	-63.4	-46	175	-71.8	167.4	0	0	0	111.6	F190 A231 C232 V233 T237 I238 E239	F190-L235 HydrophobicContact CD1-CD1 3.47Å; F190-L235 VanDerWaalsContact CD1-CD1 3.47Å; F190-L235 HydrophobicContact CD2-CD1 3.73Å; F190-L235 HydrophobicContact CE1-CD1 3.37Å; F190-L235 HydrophobicContact CE2-CD1 3.65Å; F190-L235 HydrophobicContact CG-CD1 3.65Å; F190-L235 HydrophobicContact CZ-CD1 3.47Å; F190-L235 VanDerWaalsContact CZ-CD1 3.47Å; A231-L235 WeakPolarHBondContact O-CG 3.47Å; A231-L235 PolarHBondContact O-N 3Å; A231-L235 VanDerWaalsContact O-N 3.09Å; C232-L235 PolarHBondContact O-N 2.74Å; V233-L235 VanDerWaalsContact C-N 3.32Å; V233-L235 PolarHBondContact O-N 3.31Å; L235-T237 VanDerWaalsContact C-N 3.29Å; L235-T237 PolarHBondContact O-N 3.25Å; L235-I238 PolarHBondContact O-N 3.49Å; L235-E239 VanDerWaalsContact O-CB 3.23Å; L235-E239 WeakPolarHBondContact O-CB 3.37Å; L235-E239 PolarHBondContact O-N 2.84Å
236	F	95.3	Very high	93.8	Very high	3 Å²	3	47 Å²	47	1%	0.013	25%	0.249	C	C	.	.	H	α-helix	trans	-65.6	-31.4	179	-64.5	-19.8	0	0	0	113.4	F190 I191 C232 V233 Y240 V266 K298	F190-F236 HydrophobicContact CB-CE1 4.11Å; F190-F236 HydrophobicContact CB-CZ 4.44Å; I191-F236 HydrophobicContact CB-CZ 4.31Å; I191-F236 HydrophobicContact CG1-CE1 3.72Å; I191-F236 HydrophobicContact CG1-CZ 3.67Å; C232-F236 HydrophobicContact CB-CE2 4.45Å; C232-F236 WeakPolarHBondContact O-CD2 3.18Å; C232-F236 VanDerWaalsContact O-CG 3.27Å; C232-F236 WeakPolarHBondContact O-CG 3.26Å; C232-F236 PolarHBondContact O-N 2.94Å; V233-F236 PolarHBondContact O-N 3.48Å; F236-Y240 WeakPolarHBondContact O-CB 3.45Å; F236-Y240 PolarHBondContact O-N 3.41Å; F236-V266 HydrophobicContact CB-CG1 3.57Å; F236-K298 HydrophobicContact CD1-CD 4.37Å; F236-K298 HydrophobicContact CE1-CD 4.48Å; F236-K298 HydrophobicContact CG-CD 4.5Å; F236-K298 VanDerWaalsContact CG-NZ 3.31Å
237	T	95.5	Very high	93.7	Very high	14 Å²	14	41.6 Å²	41.6	9%	0.086	23%	0.225	C	C	.	.	H	α-helix	trans	-75.2	-43.2	178.2	58.1	0	0	0	0	111.3	V233 L234 L235 E239 Y240 L241 V266 Y270	V233-T237 HydrophobicContact CG1-CG2 4.02Å; V233-T237 WeakPolarHBondContact O-CB 3.26Å; V233-T237 WeakPolarHBondContact O-CG2 3.18Å; V233-T237 PolarHBondContact O-N 3.03Å; V233-T237 PolarHBondContact O-OG1 2.87Å; L234-T237 WeakPolarHBondContact CA-OG1 3Å; L234-T237 PolarHBondContact O-N 3.42Å; L234-T237 PolarHBondContact O-OG1 2.85Å; L235-T237 VanDerWaalsContact C-N 3.29Å; L235-T237 PolarHBondContact O-N 3.25Å; T237-E239 VanDerWaalsContact C-N 3.29Å; T237-E239 PolarHBondContact O-N 2.94Å; T237-Y240 PolarHBondContact O-N 3.02Å; T237-L241 WeakPolarHBondContact O-CB 3.21Å; T237-L241 VanDerWaalsContact O-CG 3.23Å; T237-L241 WeakPolarHBondContact O-CG 3.29Å; T237-L241 PolarHBondContact O-N 3.32Å; T237-V266 HydrophobicContact CG2-CB 3.89Å; T237-V266 HydrophobicContact CG2-CG1 3.79Å; T237-V266 HydrophobicContact CG2-CG2 4.22Å; T237-Y270 HydrophobicContact CG2-CE2 3.35Å; T237-Y270 WeakPolarHBondContact CG2-OH 3.41Å; T237-Y270 PolarHBondContact OG1-OH 3.33Å
238	I	95.2	Very high	93.4	Very high	98 Å²	98	42.3 Å²	42.3	50%	0.503	23%	0.229	S	C	.	.	H	α-helix	trans	-58.4	-45.8	172.2	-68.6	167	0	0	0	110	L234 L235 L241 A242	L234-I238 HydrophobicContact CD1-CD1 4.25Å; L234-I238 HydrophobicContact CG-CD1 3.99Å; L234-I238 WeakPolarHBondContact O-CB 3.34Å; L234-I238 WeakPolarHBondContact O-CD1 3.49Å; L234-I238 VanDerWaalsContact O-CG1 3.23Å; L234-I238 WeakPolarHBondContact O-CG1 3.38Å; L234-I238 PolarHBondContact O-N 2.83Å; L235-I238 PolarHBondContact O-N 3.49Å; I238-L241 PolarHBondContact O-N 2.82Å; I238-A242 VanDerWaalsContact O-CB 3.22Å; I238-A242 WeakPolarHBondContact O-CB 3.47Å; I238-A242 PolarHBondContact O-N 3Å
239	E	94	Very high	93.2	Very high	13 Å²	13	41.9 Å²	41.9	6%	0.061	23%	0.234	C	C	.	.	H	α-helix	trans	-59.9	-46.7	177.5	-170	-162.8	153.7	0	0	111.8	F171 T187 L235 T237 A242 R243 K298	F171-E239 HydrophobicContact CE1-CG 4.13Å; T187-E239 HydrophobicContact CG2-CG 3.99Å; L235-E239 VanDerWaalsContact O-CB 3.23Å; L235-E239 WeakPolarHBondContact O-CB 3.37Å; L235-E239 PolarHBondContact O-N 2.84Å; T237-E239 VanDerWaalsContact C-N 3.29Å; T237-E239 PolarHBondContact O-N 2.94Å; E239-A242 PolarHBondContact O-N 2.86Å; E239-R243 VanDerWaalsContact CD-NH1 3.26Å; E239-R243 VanDerWaalsContact CG-NH1 3.3Å; E239-R243 WeakPolarHBondContact O-CG 3.21Å; E239-R243 PolarHBondContact O-N 3.27Å; E239-R243 IonicContact OE1-CZ 3.91Å; E239-R243 IonicContact OE1-NH1 2.76Å; E239-R243 PolarHBondContact OE1-NH1 2.72Å; E239-R243 IonicContact OE1-NH2 3.4Å; E239-R243 PolarHBondContact OE1-NH2 2.65Å; E239-K298 VanDerWaalsContact CD-NZ 3.33Å; E239-K298 WeakPolarHBondContact OE1-CE 3.4Å; E239-K298 IonicContact OE1-NZ 2.86Å; E239-K298 PolarHBondContact OE1-NZ 3.27Å; E239-K298 WeakPolarHBondContact OE2-CE 3.31Å; E239-K298 IonicContact OE2-NZ 3.3Å; E239-K298 PolarHBondContact OE2-NZ 2.99Å
240	Y	94.5	Very high	93.2	Very high	27 Å²	27	47 Å²	47	11%	0.106	26%	0.256	C	S	.	.	H	α-helix	trans	-63.6	-45.7	176.9	177.2	-101.6	0	0	0	112.5	F236 T237 A242 R243 L244 F253 S259 D262 I263	F236-Y240 WeakPolarHBondContact O-CB 3.45Å; F236-Y240 PolarHBondContact O-N 3.41Å; T237-Y240 PolarHBondContact O-N 3.02Å; Y240-A242 VanDerWaalsContact C-N 3.34Å; Y240-A242 PolarHBondContact O-N 3.09Å; Y240-R243 PolarHBondContact O-N 3.01Å; Y240-L244 HydrophobicContact CE1-CD2 4.3Å; Y240-L244 WeakPolarHBondContact O-CB 3.32Å; Y240-L244 PolarHBondContact O-N 3.49Å; Y240-F253 HydrophobicContact CD2-CE1 4.46Å; Y240-F253 AromaticContact CE2-CE1 3.91Å; Y240-F253 HydrophobicContact CE2-CE1 3.91Å; Y240-S259 WeakPolarHBondContact CE2-OG 3.36Å; Y240-D262 HydrophobicContact CD2-CB 3.61Å; Y240-D262 HydrophobicContact CE2-CB 4.24Å; Y240-I263 HydrophobicContact CD2-CG1 4.5Å; Y240-I263 HydrophobicContact CE1-CG1 4.15Å; Y240-I263 HydrophobicContact CE2-CD1 4.3Å; Y240-I263 HydrophobicContact CE2-CG1 3.75Å; Y240-I263 WeakPolarHBondContact OH-CD1 3.42Å
241	L	95	Very high	93.2	Very high	105 Å²	105	50.2 Å²	50.2	55%	0.55	28%	0.279	S	S	.	.	H	α-helix	trans	-64.1	-39.5	178.1	-70.2	175.3	0	0	0	111.6	T237 I238 L244 Y245	T237-L241 WeakPolarHBondContact O-CB 3.21Å; T237-L241 VanDerWaalsContact O-CG 3.23Å; T237-L241 WeakPolarHBondContact O-CG 3.29Å; T237-L241 PolarHBondContact O-N 3.32Å; I238-L241 PolarHBondContact O-N 2.82Å; L241-L244 PolarHBondContact O-N 2.9Å; L241-Y245 WeakPolarHBondContact O-CB 3.47Å; L241-Y245 PolarHBondContact O-N 3.42Å
242	A	93.3	Very high	93	Very high	24 Å²	24	56.1 Å²	56.1	20%	0.198	30%	0.296	C	S	.	.	H	α-helix	trans	-62.8	-42.3	175.5	0	0	0	0	0	111.3	L167 F171 I238 E239 Y240 Y245 A246	L167-A242 HydrophobicContact CD2-CB 4.43Å; F171-A242 HydrophobicContact CE2-CB 3.61Å; F171-A242 HydrophobicContact CZ-CB 3.76Å; I238-A242 VanDerWaalsContact O-CB 3.22Å; I238-A242 WeakPolarHBondContact O-CB 3.47Å; I238-A242 PolarHBondContact O-N 3Å; E239-A242 PolarHBondContact O-N 2.86Å; Y240-A242 VanDerWaalsContact C-N 3.34Å; Y240-A242 PolarHBondContact O-N 3.09Å; A242-Y245 PolarHBondContact O-N 2.86Å; A242-A246 VanDerWaalsContact O-CB 3.24Å; A242-A246 WeakPolarHBondContact O-CB 3.4Å; A242-A246 PolarHBondContact O-N 3.17Å
243	R	92.6	Very high	92.9	Very high	6 Å²	6	56.7 Å²	56.7	2%	0.023	30%	0.298	C	S	.	.	H	α-helix	trans	-65.2	-42.7	173	-71.7	-168.1	-174.2	100.6	12.5	112.9	F171 E239 Y240 Y245 A246 A247 F253 D262	F171-R243 HydrophobicContact CB-CG 3.93Å; F171-R243 HydrophobicContact CD1-CG 4.05Å; F171-R243 HydrophobicContact CD2-CG 3.81Å; F171-R243 HydrophobicContact CE2-CG 4.29Å; F171-R243 HydrophobicContact CG-CG 3.67Å; E239-R243 VanDerWaalsContact CD-NH1 3.26Å; E239-R243 VanDerWaalsContact CG-NH1 3.3Å; E239-R243 WeakPolarHBondContact O-CG 3.21Å; E239-R243 PolarHBondContact O-N 3.27Å; E239-R243 IonicContact OE1-CZ 3.91Å; E239-R243 IonicContact OE1-NH1 2.76Å; E239-R243 PolarHBondContact OE1-NH1 2.72Å; E239-R243 IonicContact OE1-NH2 3.4Å; E239-R243 PolarHBondContact OE1-NH2 2.65Å; Y240-R243 PolarHBondContact O-N 3.01Å; R243-Y245 VanDerWaalsContact C-N 3.3Å; R243-Y245 PolarHBondContact O-N 3.1Å; R243-A246 PolarHBondContact O-N 2.91Å; R243-A247 WeakPolarHBondContact O-CB 3.44Å; R243-A247 PolarHBondContact O-N 2.79Å; R243-F253 HydrophobicContact CB-CE1 4.25Å; R243-F253 HydrophobicContact CB-CE2 4.33Å; R243-F253 HydrophobicContact CB-CZ 3.66Å; R243-D262 IonicContact NH1-OD2 3.65Å
244	L	93.9	Very high	92.8	Very high	35 Å²	35	60.2 Å²	60.2	18%	0.183	32%	0.316	C	S	.	.	H	α-helix	trans	-63.9	-36.9	177.8	-179.8	62.8	0	0	0	112	Y240 L241 K250 F253 I254	Y240-L244 HydrophobicContact CE1-CD2 4.3Å; Y240-L244 WeakPolarHBondContact O-CB 3.32Å; Y240-L244 PolarHBondContact O-N 3.49Å; L241-L244 PolarHBondContact O-N 2.9Å; L244-K250 HydrophobicContact CD1-CB 4.08Å; L244-K250 HydrophobicContact CD1-CG 4.39Å; L244-F253 HydrophobicContact CB-CD1 4.44Å; L244-F253 HydrophobicContact CB-CE1 4.28Å; L244-F253 HydrophobicContact CD1-CD1 3.85Å; L244-F253 HydrophobicContact CD1-CE1 4.45Å; L244-I254 HydrophobicContact CD1-CD1 3.9Å; L244-I254 HydrophobicContact CD1-CG1 3.72Å
245	Y	93	Very high	92.7	Very high	136 Å²	136	66.1 Å²	66.1	53%	0.533	33%	0.332	S	S	.	.	H	α-helix	trans	-67.7	-41.9	173.1	175.2	-96.7	0	0	0	111.9	R164 L167 L241 A242 R243 A247	R164-Y245 HydrophobicContact CB-CE1 4.37Å; R164-Y245 HydrophobicContact CG-CE1 4.25Å; L167-Y245 HydrophobicContact CD2-CD1 4.31Å; L241-Y245 WeakPolarHBondContact O-CB 3.47Å; L241-Y245 PolarHBondContact O-N 3.42Å; A242-Y245 PolarHBondContact O-N 2.86Å; R243-Y245 VanDerWaalsContact C-N 3.3Å; R243-Y245 PolarHBondContact O-N 3.1Å; Y245-A247 VanDerWaalsContact C-N 3.35Å
246	A	90.9	Very high	92.5	Very high	1 Å²	1	64.6 Å²	64.6	1%	0.008	33%	0.327	C	S	.	.	H	α-helix	trans	-71.8	-26	-179	0	0	0	0	0	113.5	L167 W168 A242 R243	L167-A246 HydrophobicContact CB-CB 4.21Å; L167-A246 HydrophobicContact CD2-CB 4.18Å; L167-A246 HydrophobicContact CG-CB 4.1Å; W168-A246 HydrophobicContact CB-CB 3.92Å; W168-A246 HydrophobicContact CE3-CB 3.96Å; A242-A246 VanDerWaalsContact O-CB 3.24Å; A242-A246 WeakPolarHBondContact O-CB 3.4Å; A242-A246 PolarHBondContact O-N 3.17Å; R243-A246 PolarHBondContact O-N 2.91Å
247	A	89.4	Confident	92.3	Very high	2 Å²	2	68.9 Å²	68.9	2%	0.017	35%	0.353	C	S	.	.			trans	-61.1	133.4	-174.9	0	0	0	0	0	113.6	W168 R243 Y245 A249 F253	W168-A247 VanDerWaalsContact CE3-CA 3.45Å; W168-A247 HydrophobicContact CE3-CB 4.11Å; W168-A247 HydrophobicContact CH2-CB 4.09Å; W168-A247 VanDerWaalsContact CZ3-CA 3.45Å; W168-A247 HydrophobicContact CZ3-CB 3.58Å; R243-A247 WeakPolarHBondContact O-CB 3.44Å; R243-A247 PolarHBondContact O-N 2.79Å; Y245-A247 VanDerWaalsContact C-N 3.35Å; A247-A249 VanDerWaalsContact C-N 3.31Å; A247-A249 PolarHBondContact O-N 3.18Å; A247-F253 HydrophobicContact CB-CB 3.79Å; A247-F253 HydrophobicContact CB-CD1 4.42Å; A247-F253 HydrophobicContact CB-CD2 4.23Å; A247-F253 HydrophobicContact CB-CG 3.89Å
248	P	86.9	Confident	92	Very high	101 Å²	101	70.8 Å²	70.8	66%	0.656	36%	0.362	S	S	*	.	S	Bend	trans	-66	-35.2	178.8	25.1	-33.3	0	0	0	112
249	A	90.6	Very high	91.9	Very high	49 Å²	49	66.1 Å²	66.1	41%	0.405	34%	0.338	S	S	.	.	S	Bend	trans	-130.1	95.3	178.5	0	0	0	0	0	111.2	A247 C251 K252 F253	A247-A249 VanDerWaalsContact C-N 3.31Å; A247-A249 PolarHBondContact O-N 3.18Å; A249-C251 PolarHBondContact O-N 3.37Å; A249-K252 HydrophobicContact CB-CB 3.97Å; A249-K252 PolarHBondContact O-N 2.96Å; A249-F253 PolarHBondContact O-N 2.91Å
250	K	91.2	Very high	91.8	Very high	116 Å²	116	69.9 Å²	69.9	50%	0.504	36%	0.357	S	S	.	.	H	α-helix	trans	-57.3	-45.5	-172.6	-59.9	-179.2	-178	179.3	0	113.8	L244 K252 F253 I254	L244-K250 HydrophobicContact CD1-CB 4.08Å; L244-K250 HydrophobicContact CD1-CG 4.39Å; K250-K252 PolarHBondContact O-N 3.45Å; K250-F253 WeakPolarHBondContact O-CB 3.28Å; K250-F253 PolarHBondContact O-N 3.32Å; K250-I254 WeakPolarHBondContact O-CG1 3.39Å; K250-I254 PolarHBondContact O-N 2.83Å
251	C	92.4	Very high	91.7	Very high	108 Å²	108	70 Å²	70	73%	0.73	36%	0.36	S	S	*	.	H	α-helix	trans	-66	-38.1	179.7	-59.4	0	0	0	0	112.4	A249 F253 R255	A249-C251 PolarHBondContact O-N 3.37Å; C251-F253 VanDerWaalsContact C-N 3.33Å; C251-R255 PolarHBondContact O-N 3.42Å
252	K	91.4	Very high	91.7	Very high	170 Å²	170	65.1 Å²	65.1	74%	0.739	33%	0.334	S	S	*	.	H	α-helix	trans	-65.9	-39.8	174.7	-173.1	-180	178.4	-176.6	0	110.6	A249 K250 R255 S256	A249-K252 HydrophobicContact CB-CB 3.97Å; A249-K252 PolarHBondContact O-N 2.96Å; K250-K252 PolarHBondContact O-N 3.45Å; K252-R255 PolarHBondContact O-N 3.38Å; K252-S256 PolarHBondContact O-N 2.97Å
253	F	91.6	Very high	91.7	Very high	15 Å²	15	66.8 Å²	66.8	7%	0.066	34%	0.339	C	S	.	.	H	α-helix	trans	-63.2	-50.3	176.3	178.6	-100.3	0	0	0	112.1	W168 Y240 R243 L244 A247 A249 K250 C251 R255 S256 S259	W168-F253 AromaticContact CH2-CD2 3.83Å; W168-F253 HydrophobicContact CH2-CD2 3.83Å; W168-F253 HydrophobicContact CH2-CE2 4.13Å; W168-F253 HydrophobicContact CZ3-CD2 4.03Å; W168-F253 HydrophobicContact CZ3-CE2 4.09Å; Y240-F253 HydrophobicContact CD2-CE1 4.46Å; Y240-F253 AromaticContact CE2-CE1 3.91Å; Y240-F253 HydrophobicContact CE2-CE1 3.91Å; R243-F253 HydrophobicContact CB-CE1 4.25Å; R243-F253 HydrophobicContact CB-CE2 4.33Å; R243-F253 HydrophobicContact CB-CZ 3.66Å; L244-F253 HydrophobicContact CB-CD1 4.44Å; L244-F253 HydrophobicContact CB-CE1 4.28Å; L244-F253 HydrophobicContact CD1-CD1 3.85Å; L244-F253 HydrophobicContact CD1-CE1 4.45Å; A247-F253 HydrophobicContact CB-CB 3.79Å; A247-F253 HydrophobicContact CB-CD1 4.42Å; A247-F253 HydrophobicContact CB-CD2 4.23Å; A247-F253 HydrophobicContact CB-CG 3.89Å; A249-F253 PolarHBondContact O-N 2.91Å; K250-F253 WeakPolarHBondContact O-CB 3.28Å; K250-F253 PolarHBondContact O-N 3.32Å; C251-F253 VanDerWaalsContact C-N 3.33Å; F253-R255 PolarHBondContact O-N 2.99Å; F253-S256 WeakPolarHBondContact O-CB 3.39Å; F253-S256 PolarHBondContact O-N 2.66Å; F253-S256 PolarHBondContact O-OG 3.42Å; F253-S259 WeakPolarHBondContact CE1-OG 3.34Å; F253-S259 WeakPolarHBondContact O-CB 3.32Å; F253-S259 PolarHBondContact O-OG 2.73Å
254	I	93.1	Very high	91.7	Very high	75 Å²	75	68.2 Å²	68.2	39%	0.385	35%	0.352	S	S	.	.	H	α-helix	trans	-57.4	-35.5	179.2	-67.3	166.5	0	0	0	111.7	L244 K250 S256	L244-I254 HydrophobicContact CD1-CD1 3.9Å; L244-I254 HydrophobicContact CD1-CG1 3.72Å; K250-I254 WeakPolarHBondContact O-CG1 3.39Å; K250-I254 PolarHBondContact O-N 2.83Å; I254-S256 VanDerWaalsContact C-N 3.31Å; I254-S256 PolarHBondContact O-N 3.12Å
255	R	92.8	Very high	91.6	Very high	220 Å²	220	66.8 Å²	66.8	83%	0.83	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-4.9	179.4	-160	174.9	179	166.6	0.9	114.1	C251 K252 F253	C251-R255 PolarHBondContact O-N 3.42Å; K252-R255 PolarHBondContact O-N 3.38Å; F253-R255 PolarHBondContact O-N 2.99Å
256	S	90.8	Very high	91.6	Very high	39 Å²	39	61 Å²	61	27%	0.273	32%	0.324	S	S	.	.	S	Bend	trans	-74.8	144.3	179.3	72.7	0	0	0	0	111.6	K252 F253 I254 M258 S259 I260	K252-S256 PolarHBondContact O-N 2.97Å; F253-S256 WeakPolarHBondContact O-CB 3.39Å; F253-S256 PolarHBondContact O-N 2.66Å; F253-S256 PolarHBondContact O-OG 3.42Å; I254-S256 VanDerWaalsContact C-N 3.31Å; I254-S256 PolarHBondContact O-N 3.12Å; S256-M258 PolarHBondContact O-N 2.87Å; S256-S259 WeakPolarHBondContact O-CB 3.36Å; S256-S259 PolarHBondContact O-N 2.89Å; S256-S259 WeakPolarHBondContact OG-CB 3.06Å; S256-S259 PolarHBondContact OG-N 2.84Å; S256-I260 WeakPolarHBondContact O-CG1 3.29Å; S256-I260 PolarHBondContact O-N 3.11Å
257	V	89.9	Confident	91.6	Very high	93 Å²	93	66.5 Å²	66.5	56%	0.564	35%	0.348	S	S	*	.	H	α-helix	trans	-55.8	-40.9	-179.2	177.2	0	0	0	0	111.6	S259 I260 I261	V257-S259 VanDerWaalsContact C-N 3.34Å; V257-S259 PolarHBondContact O-N 3.47Å; V257-I260 PolarHBondContact O-N 3.28Å; V257-I261 HydrophobicContact CG1-CD1 4.21Å; V257-I261 WeakPolarHBondContact O-CG1 3.2Å; V257-I261 PolarHBondContact O-N 3.17Å; V257-I261 VanDerWaalsContact O-N 3.08Å
258	M	88.9	Confident	91.6	Very high	54 Å²	54	66.9 Å²	66.9	27%	0.266	35%	0.35	S	S	.	.	H	α-helix	trans	-65.1	-37.5	179.2	-61.5	-59.6	169.5	0	0	112.5	S256 I261 D262 R307	S256-M258 PolarHBondContact O-N 2.87Å; M258-I261 PolarHBondContact O-N 3.43Å; M258-I261 HydrophobicContact SD-CD1 4.5Å; M258-D262 PolarHBondContact O-N 2.96Å; M258-D262 VanDerWaalsContact O-N 3.15Å; M258-R307 HydrophobicContact CE-CB 4.48Å; M258-R307 HydrophobicContact CE-CG 3.81Å
259	S	93.3	Very high	91.7	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-70.5	-38.4	176.5	-175.3	0	0	0	0	112.1	Y240 F253 S256 V257 I261 D262 I263	Y240-S259 WeakPolarHBondContact CE2-OG 3.36Å; F253-S259 WeakPolarHBondContact CE1-OG 3.34Å; F253-S259 WeakPolarHBondContact O-CB 3.32Å; F253-S259 PolarHBondContact O-OG 2.73Å; S256-S259 WeakPolarHBondContact O-CB 3.36Å; S256-S259 PolarHBondContact O-N 2.89Å; S256-S259 WeakPolarHBondContact OG-CB 3.06Å; S256-S259 PolarHBondContact OG-N 2.84Å; V257-S259 VanDerWaalsContact C-N 3.34Å; V257-S259 PolarHBondContact O-N 3.47Å; S259-I261 VanDerWaalsContact C-N 3.29Å; S259-I261 PolarHBondContact O-N 2.74Å; S259-D262 PolarHBondContact O-N 3.45Å; S259-D262 VanDerWaalsContact O-N 3.16Å; S259-I263 WeakPolarHBondContact O-CG1 3.48Å; S259-I263 PolarHBondContact O-N 2.74Å
260	I	93.1	Very high	91.7	Very high	91 Å²	91	66.5 Å²	66.5	47%	0.467	33%	0.326	S	S	.	.	H	α-helix	trans	-61.1	-40.6	174.4	-65.3	166.9	0	0	0	110.7	S256 V257 I263 A264	S256-I260 WeakPolarHBondContact O-CG1 3.29Å; S256-I260 PolarHBondContact O-N 3.11Å; V257-I260 PolarHBondContact O-N 3.28Å; I260-I263 PolarHBondContact O-N 3.16Å; I260-A264 VanDerWaalsContact O-CB 3.31Å; I260-A264 WeakPolarHBondContact O-CB 3.22Å; I260-A264 PolarHBondContact O-N 3.32Å
261	I	92.7	Very high	91.5	Very high	31 Å²	31	62.2 Å²	62.2	16%	0.159	31%	0.309	C	S	.	.	H	α-helix	trans	-61.8	-44.2	174.6	-69.5	167.7	0	0	0	111	V257 M258 S259 I263 A264 A265 F297 K298	V257-I261 HydrophobicContact CG1-CD1 4.21Å; V257-I261 WeakPolarHBondContact O-CG1 3.2Å; V257-I261 PolarHBondContact O-N 3.17Å; V257-I261 VanDerWaalsContact O-N 3.08Å; M258-I261 PolarHBondContact O-N 3.43Å; M258-I261 HydrophobicContact SD-CD1 4.5Å; S259-I261 VanDerWaalsContact C-N 3.29Å; S259-I261 PolarHBondContact O-N 2.74Å; I261-I263 VanDerWaalsContact C-N 3.34Å; I261-I263 PolarHBondContact O-N 2.98Å; I261-A264 PolarHBondContact O-N 3.31Å; I261-A265 WeakPolarHBondContact O-CB 3.48Å; I261-A265 PolarHBondContact O-N 3.18Å; I261-F297 HydrophobicContact CD1-CB 4.37Å; I261-F297 HydrophobicContact CG1-CB 4.35Å; I261-F297 VanDerWaalsContact CG2-C 3.45Å; I261-F297 HydrophobicContact CG2-CB 3.74Å; I261-K298 HydrophobicContact CG2-CB 4.45Å
262	D	93.6	Very high	91.1	Very high	2 Å²	2	58 Å²	58	1%	0.011	29%	0.285	C	S	.	.	H	α-helix	trans	-61.4	-41.2	177.6	-72.7	-33.8	0	0	0	111.7	Y240 R243 M258 S259 K298 R301	Y240-D262 HydrophobicContact CD2-CB 3.61Å; Y240-D262 HydrophobicContact CE2-CB 4.24Å; R243-D262 IonicContact NH1-OD2 3.65Å; M258-D262 PolarHBondContact O-N 2.96Å; M258-D262 VanDerWaalsContact O-N 3.15Å; S259-D262 PolarHBondContact O-N 3.45Å; S259-D262 VanDerWaalsContact O-N 3.16Å; D262-K298 VanDerWaalsContact OD1-CE 3.31Å; D262-K298 WeakPolarHBondContact OD1-CE 3.45Å; D262-R301 IonicContact OD2-CZ 2.65Å; D262-R301 IonicContact OD2-NE 2.66Å; D262-R301 IonicContact OD2-NH2 2.72Å; D262-R301 PolarHBondContact OD2-NH2 3.49Å
263	I	93.5	Very high	90.7	Very high	59 Å²	59	55 Å²	55	30%	0.303	28%	0.276	S	S	.	.	H	α-helix	trans	-65.2	-48.2	174.6	-64.3	162.7	0	0	0	110.8	Y240 S259 I260 I261 A265 V266 F267	Y240-I263 HydrophobicContact CD2-CG1 4.5Å; Y240-I263 HydrophobicContact CE1-CG1 4.15Å; Y240-I263 HydrophobicContact CE2-CD1 4.3Å; Y240-I263 HydrophobicContact CE2-CG1 3.75Å; Y240-I263 WeakPolarHBondContact OH-CD1 3.42Å; S259-I263 WeakPolarHBondContact O-CG1 3.48Å; S259-I263 PolarHBondContact O-N 2.74Å; I260-I263 PolarHBondContact O-N 3.16Å; I261-I263 VanDerWaalsContact C-N 3.34Å; I261-I263 PolarHBondContact O-N 2.98Å; I263-A265 PolarHBondContact O-N 2.97Å; I263-V266 VanDerWaalsContact O-CG2 3.28Å; I263-V266 WeakPolarHBondContact O-CG2 3.47Å; I263-V266 PolarHBondContact O-N 2.82Å; I263-V266 VanDerWaalsContact O-N 3.14Å; I263-F267 VanDerWaalsContact O-CB 3.27Å; I263-F267 WeakPolarHBondContact O-CB 3.32Å; I263-F267 PolarHBondContact O-N 3.19Å
264	A	92.5	Very high	90.3	Very high	35 Å²	35	62.4 Å²	62.4	29%	0.289	31%	0.309	S	S	.	.	H	α-helix	trans	-61.3	-28.9	-178.4	0	0	0	0	0	112.7	I260 I261 P268 C294	I260-A264 VanDerWaalsContact O-CB 3.31Å; I260-A264 WeakPolarHBondContact O-CB 3.22Å; I260-A264 PolarHBondContact O-N 3.32Å; I261-A264 PolarHBondContact O-N 3.31Å; A264-P268 VanDerWaalsContact O-CD 3.3Å; A264-P268 WeakPolarHBondContact O-CD 3.29Å; A264-C294 HydrophobicContact CB-CB 4.34Å
265	A	92.6	Very high	89.5	Confident	5 Å²	5	61.8 Å²	61.8	4%	0.041	31%	0.305	C	S	.	.	H	α-helix	trans	-69.5	-29.3	177.5	0	0	0	0	0	113.8	I261 I263 R295	I261-A265 WeakPolarHBondContact O-CB 3.48Å; I261-A265 PolarHBondContact O-N 3.18Å; I263-A265 PolarHBondContact O-N 2.97Å; A265-R295 HydrophobicContact CB-CB 3.86Å
266	V	92.7	Very high	88.5	Confident	14 Å²	14	55.2 Å²	55.2	9%	0.085	29%	0.293	C	S	.	.	H	α-helix	trans	-103.2	-24	-176.8	-58.2	0	0	0	0	112.5	V233 F236 T237 I263 Y269 Y270	V233-V266 HydrophobicContact CG1-CB 4.22Å; V233-V266 HydrophobicContact CG1-CG1 4.4Å; F236-V266 HydrophobicContact CB-CG1 3.57Å; T237-V266 HydrophobicContact CG2-CB 3.89Å; T237-V266 HydrophobicContact CG2-CG1 3.79Å; T237-V266 HydrophobicContact CG2-CG2 4.22Å; I263-V266 VanDerWaalsContact O-CG2 3.28Å; I263-V266 WeakPolarHBondContact O-CG2 3.47Å; I263-V266 PolarHBondContact O-N 2.82Å; I263-V266 VanDerWaalsContact O-N 3.14Å; V266-Y269 PolarHBondContact O-N 3.18Å; V266-Y270 HydrophobicContact CB-CD2 4.45Å; V266-Y270 HydrophobicContact CB-CE2 4.27Å; V266-Y270 WeakPolarHBondContact O-CD2 3.29Å
267	F	91	Very high	87.4	Confident	117 Å²	117	60.3 Å²	60.3	51%	0.513	32%	0.317	S	S	.	.	H	α-helix	trans	-52.8	-47.2	-174.1	177.9	-103	0	0	0	114.5	I263 Y269 Y270 V271	I263-F267 VanDerWaalsContact O-CB 3.27Å; I263-F267 WeakPolarHBondContact O-CB 3.32Å; I263-F267 PolarHBondContact O-N 3.19Å; F267-Y269 VanDerWaalsContact C-N 3.26Å; F267-Y269 PolarHBondContact O-N 3.08Å; F267-Y270 PolarHBondContact O-N 3.3Å; F267-V271 HydrophobicContact CD1-CG2 4.06Å; F267-V271 HydrophobicContact CD2-CG2 3.93Å; F267-V271 HydrophobicContact CE1-CG2 3.69Å; F267-V271 HydrophobicContact CE2-CG2 3.53Å; F267-V271 HydrophobicContact CG-CG2 4.18Å; F267-V271 HydrophobicContact CZ-CG2 3.41Å; F267-V271 VanDerWaalsContact CZ-CG2 3.41Å; F267-V271 WeakPolarHBondContact O-CG2 3.4Å; F267-V271 PolarHBondContact O-N 3.07Å; F267-V271 VanDerWaalsContact O-N 3.07Å
268	P	88.7	Confident	86.5	Confident	10 Å²	10	59.7 Å²	59.7	7%	0.065	31%	0.31	C	S	.	.	H	α-helix	trans	-59.4	-35.1	-177	-24.9	35.5	0	0	0	113.7	A264 G272 F291 R292	A264-P268 VanDerWaalsContact O-CD 3.3Å; A264-P268 WeakPolarHBondContact O-CD 3.29Å; P268-G272 PolarHBondContact O-N 3.49Å; P268-F291 HydrophobicContact CB-CB 4.26Å; P268-F291 HydrophobicContact CG-CB 3.57Å; P268-R292 HydrophobicContact CB-CG 4.39Å
269	Y	89.7	Confident	85.5	Confident	38 Å²	38	66.6 Å²	66.6	15%	0.149	34%	0.339	C	S	.	.	H	α-helix	trans	-66.8	-47.1	-179.8	179.6	-87.7	0	0	0	111.8	T230 V233 V266 F267 G272 L273	T230-Y269 WeakPolarHBondContact CB-OH 3.43Å; T230-Y269 VanDerWaalsContact CG2-OH 3.32Å; T230-Y269 WeakPolarHBondContact CG2-OH 3.37Å; T230-Y269 PolarHBondContact OG1-OH 3.34Å; V233-Y269 HydrophobicContact CB-CD1 4.26Å; V233-Y269 HydrophobicContact CB-CD2 4.42Å; V233-Y269 HydrophobicContact CB-CG 4.11Å; V233-Y269 HydrophobicContact CG1-CD1 3.66Å; V233-Y269 HydrophobicContact CG1-CE1 4.35Å; V233-Y269 HydrophobicContact CG1-CG 3.83Å; V233-Y269 HydrophobicContact CG2-CD2 4.03Å; V233-Y269 HydrophobicContact CG2-CG 3.87Å; V266-Y269 PolarHBondContact O-N 3.18Å; F267-Y269 VanDerWaalsContact C-N 3.26Å; F267-Y269 PolarHBondContact O-N 3.08Å; Y269-G272 PolarHBondContact O-N 3.45Å; Y269-L273 PolarHBondContact O-N 3.26Å
270	Y	90.5	Very high	84.5	Confident	104 Å²	104	75.1 Å²	75.1	41%	0.408	38%	0.379	S	S	.	.	H	α-helix	trans	-69.6	-36.4	179.6	-73.4	-77.6	0	0	0	112.9	V233 T237 V266 F267 G272 L273 F274	V233-Y270 HydrophobicContact CG1-CD2 4.46Å; V233-Y270 HydrophobicContact CG1-CE2 3.79Å; T237-Y270 HydrophobicContact CG2-CE2 3.35Å; T237-Y270 WeakPolarHBondContact CG2-OH 3.41Å; T237-Y270 PolarHBondContact OG1-OH 3.33Å; V266-Y270 HydrophobicContact CB-CD2 4.45Å; V266-Y270 HydrophobicContact CB-CE2 4.27Å; V266-Y270 WeakPolarHBondContact O-CD2 3.29Å; F267-Y270 PolarHBondContact O-N 3.3Å; Y270-G272 VanDerWaalsContact C-N 3.32Å; Y270-L273 PolarHBondContact O-N 3.45Å; Y270-F274 WeakPolarHBondContact O-CB 3.22Å; Y270-F274 PolarHBondContact O-N 3.5Å
271	V	87.2	Confident	83.3	Confident	26 Å²	26	75.1 Å²	75.1	16%	0.158	38%	0.375	C	S	.	.	H	α-helix	trans	-63.3	-43.1	173.2	177.9	0	0	0	0	110.1	F267 L273 F274 M275 L288	F267-V271 HydrophobicContact CD1-CG2 4.06Å; F267-V271 HydrophobicContact CD2-CG2 3.93Å; F267-V271 HydrophobicContact CE1-CG2 3.69Å; F267-V271 HydrophobicContact CE2-CG2 3.53Å; F267-V271 HydrophobicContact CG-CG2 4.18Å; F267-V271 HydrophobicContact CZ-CG2 3.41Å; F267-V271 VanDerWaalsContact CZ-CG2 3.41Å; F267-V271 WeakPolarHBondContact O-CG2 3.4Å; F267-V271 PolarHBondContact O-N 3.07Å; F267-V271 VanDerWaalsContact O-N 3.07Å; V271-L273 VanDerWaalsContact C-N 3.35Å; V271-L273 PolarHBondContact O-N 3.5Å; V271-F274 PolarHBondContact O-N 3.33Å; V271-M275 HydrophobicContact CG1-CE 4.24Å; V271-M275 HydrophobicContact CG1-CG 4.3Å; V271-M275 HydrophobicContact CG1-SD 3.67Å; V271-M275 WeakPolarHBondContact O-CB 3.38Å; V271-M275 PolarHBondContact O-N 2.66Å; V271-L288 HydrophobicContact CB-CD1 4.28Å; V271-L288 HydrophobicContact CG1-CD1 3.5Å
272	G	83.1	Confident	82	Confident	20 Å²	20	77.4 Å²	77.4	21%	0.206	39%	0.394	C	S	.	.	H	α-helix	trans	-57.5	-45.3	174.2	0	0	0	0	0	112.6	P268 Y269 Y270 S276 F285	P268-G272 PolarHBondContact O-N 3.49Å; Y269-G272 PolarHBondContact O-N 3.45Å; Y270-G272 VanDerWaalsContact C-N 3.32Å; G272-S276 WeakPolarHBondContact O-CB 3.3Å; G272-S276 PolarHBondContact O-N 3.28Å; G272-S276 VanDerWaalsContact O-N 3.11Å; G272-F285 WeakPolarHBondContact O-CE1 3.23Å
273	L	84.1	Confident	80.8	Confident	107 Å²	107	79.7 Å²	79.7	56%	0.56	42%	0.418	S	S	*	.	H	α-helix	trans	-65.7	-43.9	178.5	-169.9	74.5	0	0	0	112.5	Y269 Y270 V271	Y269-L273 PolarHBondContact O-N 3.26Å; Y270-L273 PolarHBondContact O-N 3.45Å; V271-L273 VanDerWaalsContact C-N 3.35Å; V271-L273 PolarHBondContact O-N 3.5Å
274	F	82.3	Confident	79.6	Confident	171 Å²	171	78.7 Å²	78.7	75%	0.75	42%	0.419	S	S	*	.	H	α-helix	trans	-68.9	-40.2	-178.8	-176	-97.9	0	0	0	112.3	Y270 V271	Y270-F274 WeakPolarHBondContact O-CB 3.22Å; Y270-F274 PolarHBondContact O-N 3.5Å; V271-F274 PolarHBondContact O-N 3.33Å
275	M	77.1	Confident	78.5	Confident	61 Å²	61	79.1 Å²	79.1	30%	0.3	41%	0.414	S	S	.	.	H	α-helix	trans	-79.9	-20.8	-177.5	-73.7	-178.2	166.1	0	0	113.1	V271 N277 N278 F285	V271-M275 HydrophobicContact CG1-CE 4.24Å; V271-M275 HydrophobicContact CG1-CG 4.3Å; V271-M275 HydrophobicContact CG1-SD 3.67Å; V271-M275 WeakPolarHBondContact O-CB 3.38Å; V271-M275 PolarHBondContact O-N 2.66Å; M275-N277 PolarHBondContact O-N 3.25Å; M275-N278 PolarHBondContact O-N 3.31Å; M275-F285 HydrophobicContact CB-CE1 3.43Å; M275-F285 VanDerWaalsContact CB-CE1 3.43Å; M275-F285 HydrophobicContact CB-CZ 3.58Å; M275-F285 VanDerWaalsContact O-CZ 3.3Å; M275-F285 WeakPolarHBondContact O-CZ 3.44Å
276	S	70.9	Confident	77.4	Confident	83 Å²	83	83 Å²	83	58%	0.58	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-17.3	-171.8	-171	0	0	0	0	115.3	G272	G272-S276 WeakPolarHBondContact O-CB 3.3Å; G272-S276 PolarHBondContact O-N 3.28Å; G272-S276 VanDerWaalsContact O-N 3.11Å
277	N	67.2	Low	76.5	Confident	145 Å²	145	86.7 Å²	86.7	78%	0.775	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-18.2	175.8	-73.4	-9.5	0	0	0	113.9	M275	M275-N277 PolarHBondContact O-N 3.25Å
278	N	70.9	Confident	75.9	Confident	80 Å²	80	82.6 Å²	82.6	43%	0.428	44%	0.444	S	S	.	.			trans	-103.5	100.5	-175.1	-63.6	-22.8	0	0	0	110.2	M275 E280 F281	M275-N278 PolarHBondContact O-N 3.31Å; N278-E280 PolarHBondContact O-N 3.32Å; N278-E280 VanDerWaalsContact O-N 3.08Å; N278-F281 HydrophobicContact CB-CD2 3.76Å; N278-F281 HydrophobicContact CB-CE2 4.33Å; N278-F281 PolarHBondContact O-N 3.3Å; N278-F281 VanDerWaalsContact O-N 3.12Å
279	K	68	Low	75.4	Confident	199 Å²	199	88 Å²	88	87%	0.865	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-57	-24.4	179.9	-66.6	-176.5	179.9	179.5	0	113.6	F281 S282	K279-F281 PolarHBondContact O-N 3.33Å; K279-S282 PolarHBondContact O-N 3.16Å
280	E	72.1	Confident	75.1	Confident	180 Å²	180	91.1 Å²	91.1	84%	0.841	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-63.1	-25.2	178.3	-62.9	-171.2	166.3	0	0	113.5	N278	N278-E280 PolarHBondContact O-N 3.32Å; N278-E280 VanDerWaalsContact O-N 3.08Å
281	F	68.1	Low	74.9	Confident	90 Å²	90	91.4 Å²	91.4	40%	0.395	49%	0.489	S	S	.	.	G	3₁₀ helix	trans	-96.2	14.5	-178.2	-65.7	-75.9	0	0	0	113.6	N278 K279 G283 A284 F285	N278-F281 HydrophobicContact CB-CD2 3.76Å; N278-F281 HydrophobicContact CB-CE2 4.33Å; N278-F281 PolarHBondContact O-N 3.3Å; N278-F281 VanDerWaalsContact O-N 3.12Å; K279-F281 PolarHBondContact O-N 3.33Å; F281-G283 VanDerWaalsContact C-N 3.28Å; F281-G283 PolarHBondContact O-N 2.93Å; F281-G283 VanDerWaalsContact O-N 3.16Å; F281-A284 HydrophobicContact CB-CB 4.25Å; F281-A284 HydrophobicContact CD1-CB 4.44Å; F281-A284 WeakPolarHBondContact O-CA 3.44Å; F281-A284 VanDerWaalsContact O-CB 3.31Å; F281-A284 WeakPolarHBondContact O-CB 3.38Å; F281-A284 PolarHBondContact O-N 3.23Å; F281-F285 VanDerWaalsContact C-CE2 3.42Å; F281-F285 HydrophobicContact CB-CE2 4.07Å; F281-F285 HydrophobicContact CB-CZ 4.33Å; F281-F285 WeakPolarHBondContact O-CD2 3.46Å; F281-F285 WeakPolarHBondContact O-CE2 3.49Å; F281-F285 PolarHBondContact O-N 3.46Å
282	S	66.3	Low	75	Confident	79 Å²	79	92.2 Å²	92.2	55%	0.552	49%	0.489	S	S	*	.	H	α-helix	trans	-50.2	-45	-175.7	-168.6	0	0	0	0	113.2	K279 A284 F285	K279-S282 PolarHBondContact O-N 3.16Å; S282-A284 PolarHBondContact O-N 3.01Å; S282-F285 VanDerWaalsContact CA-CD2 3.48Å; S282-F285 WeakPolarHBondContact O-CD2 3.33Å; S282-F285 PolarHBondContact O-N 3.46Å
283	G	67.6	Low	75.2	Confident	50 Å²	50	95.2 Å²	95.2	52%	0.515	50%	0.503	S	S	.	.	H	α-helix	trans	-70.3	-27.1	177.1	0	0	0	0	0	114.5	F281 F285 T286 T287	F281-G283 VanDerWaalsContact C-N 3.28Å; F281-G283 PolarHBondContact O-N 2.93Å; F281-G283 VanDerWaalsContact O-N 3.16Å; G283-F285 VanDerWaalsContact C-N 3.34Å; G283-T286 PolarHBondContact O-N 3.45Å; G283-T287 PolarHBondContact O-N 3.04Å; G283-T287 PolarHBondContact O-OG1 3.23Å
284	A	68.8	Low	75.4	Confident	39 Å²	39	91.4 Å²	91.4	32%	0.322	49%	0.485	S	S	.	.	H	α-helix	trans	-68.8	-33.7	175.9	0	0	0	0	0	111.3	F281 S282 T286 T287 L288	F281-A284 HydrophobicContact CB-CB 4.25Å; F281-A284 HydrophobicContact CD1-CB 4.44Å; F281-A284 WeakPolarHBondContact O-CA 3.44Å; F281-A284 VanDerWaalsContact O-CB 3.31Å; F281-A284 WeakPolarHBondContact O-CB 3.38Å; F281-A284 PolarHBondContact O-N 3.23Å; S282-A284 PolarHBondContact O-N 3.01Å; A284-T286 VanDerWaalsContact C-N 3.33Å; A284-T286 PolarHBondContact O-N 3.24Å; A284-T287 PolarHBondContact O-N 3.45Å; A284-L288 WeakPolarHBondContact O-CG 3.13Å; A284-L288 PolarHBondContact O-N 3.17Å
285	F	68.8	Low	75.9	Confident	44 Å²	44	83.5 Å²	83.5	19%	0.193	45%	0.451	C	S	.	.	H	α-helix	trans	-61.6	-40.9	176.1	-58.9	-78.3	0	0	0	112.6	G272 M275 F281 S282 G283 T287 L288 R289	G272-F285 WeakPolarHBondContact O-CE1 3.23Å; M275-F285 HydrophobicContact CB-CE1 3.43Å; M275-F285 VanDerWaalsContact CB-CE1 3.43Å; M275-F285 HydrophobicContact CB-CZ 3.58Å; M275-F285 VanDerWaalsContact O-CZ 3.3Å; M275-F285 WeakPolarHBondContact O-CZ 3.44Å; F281-F285 VanDerWaalsContact C-CE2 3.42Å; F281-F285 HydrophobicContact CB-CE2 4.07Å; F281-F285 HydrophobicContact CB-CZ 4.33Å; F281-F285 WeakPolarHBondContact O-CD2 3.46Å; F281-F285 WeakPolarHBondContact O-CE2 3.49Å; F281-F285 PolarHBondContact O-N 3.46Å; S282-F285 VanDerWaalsContact CA-CD2 3.48Å; S282-F285 WeakPolarHBondContact O-CD2 3.33Å; S282-F285 PolarHBondContact O-N 3.46Å; G283-F285 VanDerWaalsContact C-N 3.34Å; F285-T287 VanDerWaalsContact C-N 3.27Å; F285-T287 PolarHBondContact O-N 3.06Å; F285-L288 PolarHBondContact O-N 3.13Å; F285-R289 PolarHBondContact O-N 3.12Å
286	T	69.9	Low	76.5	Confident	87 Å²	87	84.2 Å²	84.2	53%	0.534	46%	0.455	S	S	.	.	H	α-helix	trans	-61.3	-40.6	177.3	-51.3	0	0	0	0	110.6	G283 A284 R289	G283-T286 PolarHBondContact O-N 3.45Å; A284-T286 VanDerWaalsContact C-N 3.33Å; A284-T286 PolarHBondContact O-N 3.24Å; T286-R289 WeakPolarHBondContact O-CB 3.5Å; T286-R289 PolarHBondContact O-N 3.29Å
287	T	73.9	Confident	77.5	Confident	90 Å²	90	86.1 Å²	86.1	55%	0.552	45%	0.453	S	S	*	.	H	α-helix	trans	-68.1	-38.5	176.7	-50.2	0	0	0	0	111.8	G283 A284 F285 R289 V290	G283-T287 PolarHBondContact O-N 3.04Å; G283-T287 PolarHBondContact O-OG1 3.23Å; A284-T287 PolarHBondContact O-N 3.45Å; F285-T287 VanDerWaalsContact C-N 3.27Å; F285-T287 PolarHBondContact O-N 3.06Å; T287-R289 PolarHBondContact O-N 3.4Å; T287-V290 WeakPolarHBondContact O-CB 3.31Å; T287-V290 PolarHBondContact O-N 3.01Å; T287-V290 VanDerWaalsContact O-N 3.11Å
288	L	78.3	Confident	78.7	Confident	32 Å²	32	79.3 Å²	79.3	17%	0.168	42%	0.416	C	S	.	.	H	α-helix	trans	-63.8	-24	178.5	-73.3	174.7	0	0	0	113.4	V271 A284 F285 V290 F291	V271-L288 HydrophobicContact CB-CD1 4.28Å; V271-L288 HydrophobicContact CG1-CD1 3.5Å; A284-L288 WeakPolarHBondContact O-CG 3.13Å; A284-L288 PolarHBondContact O-N 3.17Å; F285-L288 PolarHBondContact O-N 3.13Å; L288-V290 PolarHBondContact O-N 3.01Å; L288-F291 HydrophobicContact CD2-CD2 4Å; L288-F291 HydrophobicContact CD2-CE2 4.34Å; L288-F291 PolarHBondContact O-N 3.01Å; L288-F291 VanDerWaalsContact O-N 3.15Å
289	R	78.8	Confident	79.6	Confident	123 Å²	123	78.6 Å²	78.6	46%	0.464	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-59.4	-31.2	174.1	-64.5	-177.9	-171.2	177	3	112.2	F285 T286 T287 F291 R292	F285-R289 PolarHBondContact O-N 3.12Å; T286-R289 WeakPolarHBondContact O-CB 3.5Å; T286-R289 PolarHBondContact O-N 3.29Å; T287-R289 PolarHBondContact O-N 3.4Å; R289-F291 VanDerWaalsContact C-N 3.29Å; R289-F291 PolarHBondContact O-N 3.27Å; R289-R292 VanDerWaalsContact O-CB 3.26Å; R289-R292 WeakPolarHBondContact O-CB 3.25Å; R289-R292 WeakPolarHBondContact O-CG 3.43Å; R289-R292 PolarHBondContact O-N 3.46Å; R289-R292 VanDerWaalsContact O-N 3.11Å
290	V	83.3	Confident	80.6	Confident	103 Å²	103	69.7 Å²	69.7	62%	0.624	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-61.1	-39	177.6	-179.7	0	0	0	0	111.1	T287 L288 R292 V293	T287-V290 WeakPolarHBondContact O-CB 3.31Å; T287-V290 PolarHBondContact O-N 3.01Å; T287-V290 VanDerWaalsContact O-N 3.11Å; L288-V290 PolarHBondContact O-N 3.01Å; V290-R292 PolarHBondContact O-N 2.91Å; V290-R292 VanDerWaalsContact O-N 3.14Å; V290-V293 WeakPolarHBondContact O-CB 3.49Å; V290-V293 WeakPolarHBondContact O-CG1 3.24Å; V290-V293 PolarHBondContact O-N 3.5Å
291	F	86.3	Confident	81.2	Confident	110 Å²	110	62.8 Å²	62.8	48%	0.482	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-67.8	-13	179.7	-69.1	-71.7	0	0	0	113.7	P268 L288 R289 V293 C294	P268-F291 HydrophobicContact CB-CB 4.26Å; P268-F291 HydrophobicContact CG-CB 3.57Å; L288-F291 HydrophobicContact CD2-CD2 4Å; L288-F291 HydrophobicContact CD2-CE2 4.34Å; L288-F291 PolarHBondContact O-N 3.01Å; L288-F291 VanDerWaalsContact O-N 3.15Å; R289-F291 VanDerWaalsContact C-N 3.29Å; R289-F291 PolarHBondContact O-N 3.27Å; F291-V293 PolarHBondContact O-N 2.98Å; F291-V293 VanDerWaalsContact O-N 3.14Å; F291-C294 WeakPolarHBondContact O-CB 3.21Å; F291-C294 PolarHBondContact O-N 3.29Å; F291-C294 PolarHBondContact O-SG 3.46Å; F291-C294 VanDerWaalsContact O-SG 3.37Å
292	R	88.3	Confident	82	Confident	43 Å²	43	59.7 Å²	59.7	16%	0.162	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-58.6	-23.8	168.9	-64.6	177.4	166.2	169.4	-7.5	111.4	N198 E201 D229 P268 R289 V290 C294 R295	N198-R292 WeakPolarHBondContact ND2-CB 3.22Å; N198-R292 PolarHBondContact ND2-O 3.08Å; N198-R292 WeakPolarHBondContact OD1-CD 3.2Å; E201-R292 IonicContact OE1-NH1 3.37Å; E201-R292 PolarHBondContact OE1-NH1 2.76Å; E201-R292 IonicContact OE2-NH1 3.71Å; E201-R292 PolarHBondContact OE2-NH1 2.84Å; D229-R292 IonicContact OD2-CZ 3.85Å; D229-R292 VanDerWaalsContact OD2-CZ 3.3Å; D229-R292 IonicContact OD2-NE 3.34Å; D229-R292 PolarHBondContact OD2-NE 2.85Å; D229-R292 IonicContact OD2-NH2 3.89Å; D229-R292 PolarHBondContact OD2-NH2 3.32Å; P268-R292 HydrophobicContact CB-CG 4.39Å; R289-R292 VanDerWaalsContact O-CB 3.26Å; R289-R292 WeakPolarHBondContact O-CB 3.25Å; R289-R292 WeakPolarHBondContact O-CG 3.43Å; R289-R292 PolarHBondContact O-N 3.46Å; R289-R292 VanDerWaalsContact O-N 3.11Å; V290-R292 PolarHBondContact O-N 2.91Å; V290-R292 VanDerWaalsContact O-N 3.14Å; R292-C294 PolarHBondContact O-N 3.33Å; R292-R295 WeakPolarHBondContact O-CD 3.25Å; R292-R295 WeakPolarHBondContact O-CG 3.48Å; R292-R295 PolarHBondContact O-N 3.03Å
293	V	88.1	Confident	82.9	Confident	83 Å²	83	58 Å²	58	50%	0.503	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-59.9	-27.9	174.7	81.7	0	0	0	0	112.1	V290 F291 R295 I296	V290-V293 WeakPolarHBondContact O-CB 3.49Å; V290-V293 WeakPolarHBondContact O-CG1 3.24Å; V290-V293 PolarHBondContact O-N 3.5Å; F291-V293 PolarHBondContact O-N 2.98Å; F291-V293 VanDerWaalsContact O-N 3.14Å; V293-R295 PolarHBondContact O-N 2.9Å; V293-I296 WeakPolarHBondContact O-CB 3.45Å; V293-I296 WeakPolarHBondContact O-CG2 3.48Å; V293-I296 PolarHBondContact O-N 3.33Å
294	C	89	Confident	83.5	Confident	27 Å²	27	61.5 Å²	61.5	18%	0.182	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-56.7	-25.4	-179.9	-66.7	0	0	0	0	113	A264 F291 R292 I296 F297	A264-C294 HydrophobicContact CB-CB 4.34Å; F291-C294 WeakPolarHBondContact O-CB 3.21Å; F291-C294 PolarHBondContact O-N 3.29Å; F291-C294 PolarHBondContact O-SG 3.46Å; F291-C294 VanDerWaalsContact O-SG 3.37Å; R292-C294 PolarHBondContact O-N 3.33Å; C294-I296 PolarHBondContact O-N 3.32Å; C294-F297 WeakPolarHBondContact O-CB 3.24Å; C294-F297 WeakPolarHBondContact O-CD2 3.39Å; C294-F297 PolarHBondContact O-N 3.2Å
295	R	91.3	Very high	84.2	Confident	6 Å²	6	61.4 Å²	61.4	2%	0.023	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-62.4	-21.2	176	75.3	-154.8	179.8	-178.1	7.7	113.8	S194 V195 N198 D229 A265 R292 V293 F297 K298	S194-R295 PolarHBondContact O-NE 2.99Å; S194-R295 PolarHBondContact O-NH2 2.9Å; S194-R295 VanDerWaalsContact OG-CD 3.25Å; S194-R295 WeakPolarHBondContact OG-CD 3.43Å; S194-R295 PolarHBondContact OG-NE 3.09Å; S194-R295 PolarHBondContact OG-NH1 3Å; S194-R295 PolarHBondContact OG-NH2 2.82Å; V195-R295 HydrophobicContact CG2-CG 4.23Å; N198-R295 PolarHBondContact ND2-NE 2.99Å; N198-R295 PolarHBondContact ND2-NH2 3.21Å; N198-R295 VanDerWaalsContact ND2-NH2 3.19Å; N198-R295 VanDerWaalsContact OD1-CZ 3.25Å; N198-R295 PolarHBondContact OD1-NH2 2.72Å; D229-R295 IonicContact OD1-CZ 2.66Å; D229-R295 IonicContact OD1-NH1 2.88Å; D229-R295 PolarHBondContact OD1-NH1 3.29Å; D229-R295 IonicContact OD1-NH2 3.38Å; A265-R295 HydrophobicContact CB-CB 3.86Å; R292-R295 WeakPolarHBondContact O-CD 3.25Å; R292-R295 WeakPolarHBondContact O-CG 3.48Å; R292-R295 PolarHBondContact O-N 3.03Å; V293-R295 PolarHBondContact O-N 2.9Å; R295-F297 PolarHBondContact O-N 3.27Å; R295-K298 WeakPolarHBondContact O-CB 3.24Å; R295-K298 PolarHBondContact O-N 3.23Å
296	I	91.4	Very high	85.1	Confident	76 Å²	76	62.9 Å²	62.9	39%	0.39	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-59.5	-34.3	173.1	-158.9	171.9	0	0	0	111.5	V195 V293 C294 K298 F299	V195-I296 HydrophobicContact CG2-CB 4.35Å; V195-I296 HydrophobicContact CG2-CG1 4.39Å; V293-I296 WeakPolarHBondContact O-CB 3.45Å; V293-I296 WeakPolarHBondContact O-CG2 3.48Å; V293-I296 PolarHBondContact O-N 3.33Å; C294-I296 PolarHBondContact O-N 3.32Å; I296-K298 PolarHBondContact O-N 2.87Å; I296-K298 VanDerWaalsContact O-N 3.17Å; I296-F299 HydrophobicContact CG1-CD2 4.48Å; I296-F299 WeakPolarHBondContact O-CB 3.37Å; I296-F299 PolarHBondContact O-N 3.02Å; I296-F299 VanDerWaalsContact O-N 3.14Å
297	F	91.1	Very high	85.8	Confident	123 Å²	123	64.6 Å²	64.6	54%	0.539	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-67.9	-15.9	179.5	-64.9	-63.2	0	0	0	112.5	I261 C294 R295 F299 S300	I261-F297 HydrophobicContact CD1-CB 4.37Å; I261-F297 HydrophobicContact CG1-CB 4.35Å; I261-F297 VanDerWaalsContact CG2-C 3.45Å; I261-F297 HydrophobicContact CG2-CB 3.74Å; C294-F297 WeakPolarHBondContact O-CB 3.24Å; C294-F297 WeakPolarHBondContact O-CD2 3.39Å; C294-F297 PolarHBondContact O-N 3.2Å; R295-F297 PolarHBondContact O-N 3.27Å; F297-F299 PolarHBondContact O-N 2.66Å; F297-S300 WeakPolarHBondContact O-CB 2.96Å; F297-S300 PolarHBondContact O-N 2.85Å; F297-S300 PolarHBondContact O-OG 2.68Å
298	K	91.5	Very high	86.4	Confident	1 Å²	1	61.5 Å²	61.5	0%	0.004	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-62.9	-25.1	174.2	-161.5	171.3	174.6	170.5	0	112.2	I191 F236 E239 I261 D262 R295 I296 S300 R301	I191-K298 HydrophobicContact CD1-CB 3.91Å; I191-K298 HydrophobicContact CD1-CD 3.82Å; I191-K298 HydrophobicContact CD1-CG 3.61Å; I191-K298 HydrophobicContact CG1-CB 4.3Å; I191-K298 HydrophobicContact CG1-CD 3.99Å; I191-K298 HydrophobicContact CG1-CG 4.23Å; I191-K298 HydrophobicContact CG2-CB 4.49Å; F236-K298 HydrophobicContact CD1-CD 4.37Å; F236-K298 HydrophobicContact CE1-CD 4.48Å; F236-K298 HydrophobicContact CG-CD 4.5Å; F236-K298 VanDerWaalsContact CG-NZ 3.31Å; E239-K298 VanDerWaalsContact CD-NZ 3.33Å; E239-K298 WeakPolarHBondContact OE1-CE 3.4Å; E239-K298 IonicContact OE1-NZ 2.86Å; E239-K298 PolarHBondContact OE1-NZ 3.27Å; E239-K298 WeakPolarHBondContact OE2-CE 3.31Å; E239-K298 IonicContact OE2-NZ 3.3Å; E239-K298 PolarHBondContact OE2-NZ 2.99Å; I261-K298 HydrophobicContact CG2-CB 4.45Å; D262-K298 VanDerWaalsContact OD1-CE 3.31Å; D262-K298 WeakPolarHBondContact OD1-CE 3.45Å; R295-K298 WeakPolarHBondContact O-CB 3.24Å; R295-K298 PolarHBondContact O-N 3.23Å; I296-K298 PolarHBondContact O-N 2.87Å; I296-K298 VanDerWaalsContact O-N 3.17Å; K298-S300 PolarHBondContact O-N 3.28Å; K298-S300 VanDerWaalsContact O-N 3.1Å; K298-R301 PolarHBondContact O-N 3.15Å; K298-R301 VanDerWaalsContact O-N 3.13Å
299	F	89.8	Confident	86.8	Confident	65 Å²	65	63.3 Å²	63.3	29%	0.285	31%	0.313	S	S	.	.	H	α-helix	trans	-58.7	-19.4	168.4	-83.2	-64.2	0	0	0	113.7	I191 A192 V195 I296 F297 R301 H302 S303 L306	I191-F299 HydrophobicContact CB-CE1 4.39Å; I191-F299 HydrophobicContact CB-CE2 4.28Å; I191-F299 HydrophobicContact CB-CZ 4.1Å; I191-F299 HydrophobicContact CG2-CD1 4.35Å; I191-F299 HydrophobicContact CG2-CD2 3.56Å; I191-F299 HydrophobicContact CG2-CE1 4.19Å; I191-F299 HydrophobicContact CG2-CE2 3.38Å; I191-F299 HydrophobicContact CG2-CG 4.06Å; I191-F299 HydrophobicContact CG2-CZ 3.71Å; A192-F299 HydrophobicContact CB-CZ 4.07Å; V195-F299 HydrophobicContact CG2-CE2 4.45Å; I296-F299 HydrophobicContact CG1-CD2 4.48Å; I296-F299 WeakPolarHBondContact O-CB 3.37Å; I296-F299 PolarHBondContact O-N 3.02Å; I296-F299 VanDerWaalsContact O-N 3.14Å; F297-F299 PolarHBondContact O-N 2.66Å; F299-R301 PolarHBondContact O-N 3.07Å; F299-H302 CarbonylContact O-C 3.5Å; F299-H302 WeakPolarHBondContact O-CA 3.04Å; F299-H302 PolarHBondContact O-N 2.86Å; F299-S303 WeakPolarHBondContact O-CB 3.28Å; F299-S303 PolarHBondContact O-N 3.28Å; F299-L306 HydrophobicContact CB-CD1 4.16Å
300	S	89.3	Confident	87.2	Confident	13 Å²	13	59.3 Å²	59.3	9%	0.091	31%	0.31	C	S	.	.	H	α-helix	trans	-57.7	-34.6	174.1	65.4	0	0	0	0	112.5	F297 K298 H302 S303 R307	F297-S300 WeakPolarHBondContact O-CB 2.96Å; F297-S300 PolarHBondContact O-N 2.85Å; F297-S300 PolarHBondContact O-OG 2.68Å; K298-S300 PolarHBondContact O-N 3.28Å; K298-S300 VanDerWaalsContact O-N 3.1Å; S300-H302 VanDerWaalsContact C-N 3.27Å; S300-H302 PolarHBondContact O-N 3.14Å; S300-S303 PolarHBondContact O-N 3.13Å; S300-S303 VanDerWaalsContact O-O 3.13Å; S300-R307 WeakPolarHBondContact O-CG 3.25Å
301	R	85.3	Confident	87.2	Confident	34 Å²	34	57.7 Å²	57.7	13%	0.128	30%	0.302	C	S	.	.	H	α-helix	trans	-68.3	-30.7	175.4	-168.3	179.8	-72.1	-95.7	6.4	112	E172 D262 K298 F299	E172-R301 IonicContact OE2-NH1 3.58Å; D262-R301 IonicContact OD2-CZ 2.65Å; D262-R301 IonicContact OD2-NE 2.66Å; D262-R301 IonicContact OD2-NH2 2.72Å; D262-R301 PolarHBondContact OD2-NH2 3.49Å; K298-R301 PolarHBondContact O-N 3.15Å; K298-R301 VanDerWaalsContact O-N 3.13Å; F299-R301 PolarHBondContact O-N 3.07Å
302	H	84.1	Confident	87.3	Confident	25 Å²	25	52.6 Å²	52.6	12%	0.116	28%	0.28	C	S	.	.	H	α-helix	trans	-88.4	-19.8	-179.5	-61.3	-77.7	0	0	0	113.3	Y184 T187 F299 S300	Y184-H302 AromaticContact CD2-CE1 3.89Å; Y184-H302 AromaticContact CD2-ND1 3.35Å; Y184-H302 VanDerWaalsContact CD2-ND1 3.35Å; Y184-H302 WeakPolarHBondContact CD2-ND1 3.46Å; Y184-H302 HydrophobicContact CE2-CB 4.08Å; Y184-H302 AromaticContact CE2-CG 3.99Å; Y184-H302 AromaticContact CE2-ND1 3.21Å; Y184-H302 WeakPolarHBondContact CE2-ND1 3.36Å; Y184-H302 AromaticContact CG-ND1 3.92Å; Y184-H302 AromaticContact CZ-ND1 3.67Å; Y184-H302 PolarHBondContact O-CE1 3.31Å; Y184-H302 VanDerWaalsContact O-CE1 3.27Å; Y184-H302 PolarHBondContact O-ND1 2.62Å; Y184-H302 PolarHBondContact OH-O 2.93Å; T187-H302 PolarHBondContact OG1-CE1 3.06Å; F299-H302 CarbonylContact O-C 3.5Å; F299-H302 WeakPolarHBondContact O-CA 3.04Å; F299-H302 PolarHBondContact O-N 2.86Å; S300-H302 VanDerWaalsContact C-N 3.27Å; S300-H302 PolarHBondContact O-N 3.14Å
303	S	86.7	Confident	87.3	Confident	44 Å²	44	54.5 Å²	54.5	31%	0.308	29%	0.293	S	S	.	.			trans	-110.4	107.8	-179.6	176.6	0	0	0	0	110.9	F299 S300 G305 L306 R307	F299-S303 WeakPolarHBondContact O-CB 3.28Å; F299-S303 PolarHBondContact O-N 3.28Å; S300-S303 PolarHBondContact O-N 3.13Å; S300-S303 VanDerWaalsContact O-O 3.13Å; S303-G305 PolarHBondContact O-N 2.84Å; S303-G305 PolarHBondContact OG-N 2.88Å; S303-L306 PolarHBondContact O-N 2.71Å; S303-L306 VanDerWaalsContact O-N 3.13Å; S303-L306 PolarHBondContact OG-N 2.87Å; S303-L306 VanDerWaalsContact OG-N 3.16Å; S303-R307 PolarHBondContact O-N 3.02Å; S303-R307 VanDerWaalsContact O-N 3.14Å
304	K	79.9	Confident	87.3	Confident	124 Å²	124	60.1 Å²	60.1	54%	0.539	31%	0.306	S	S	.	.	H	α-helix	trans	-49.4	-41	167.3	-73.6	-171.3	171.9	-168.6	0	110.6	L306 R307 I308 D415	K304-L306 PolarHBondContact O-N 3.12Å; K304-R307 WeakPolarHBondContact O-CB 3.38Å; K304-R307 PolarHBondContact O-N 3.37Å; K304-I308 VanDerWaalsContact O-CG1 3.26Å; K304-I308 WeakPolarHBondContact O-CG1 3.46Å; K304-I308 PolarHBondContact O-N 3.5Å; K304-D415 IonicContact NZ-OD1 3.39Å; K304-D415 PolarHBondContact NZ-OD1 3.44Å; K304-D415 IonicContact NZ-OD2 2.78Å
305	G	83.8	Confident	87.2	Confident	37 Å²	37	62.1 Å²	62.1	38%	0.381	32%	0.319	S	S	.	.	H	α-helix	trans	-60.2	-43.5	178.6	0	0	0	0	0	114	S303 I308 L309	S303-G305 PolarHBondContact O-N 2.84Å; S303-G305 PolarHBondContact OG-N 2.88Å; G305-I308 PolarHBondContact O-N 3.45Å; G305-L309 WeakPolarHBondContact O-CB 3.47Å; G305-L309 PolarHBondContact O-N 3.35Å
306	L	86.6	Confident	87.1	Confident	74 Å²	74	61.9 Å²	61.9	39%	0.387	32%	0.318	S	S	.	.	H	α-helix	trans	-68.3	-34.2	176	-74.7	173.7	0	0	0	112.2	F299 S303 K304 L309 G310	F299-L306 HydrophobicContact CB-CD1 4.16Å; S303-L306 PolarHBondContact O-N 2.71Å; S303-L306 VanDerWaalsContact O-N 3.13Å; S303-L306 PolarHBondContact OG-N 2.87Å; S303-L306 VanDerWaalsContact OG-N 3.16Å; K304-L306 PolarHBondContact O-N 3.12Å; L306-L309 HydrophobicContact CD2-CD2 4.28Å; L306-L309 PolarHBondContact O-N 3.15Å; L306-G310 PolarHBondContact O-N 3.31Å
307	R	86.1	Confident	87.1	Confident	124 Å²	124	61 Å²	61	47%	0.468	32%	0.322	S	S	.	.	H	α-helix	trans	-63.1	-46.1	173	-62.3	173.7	54.8	-177.9	-3.6	111	M258 S300 S303 K304 L309 G310 C311	M258-R307 HydrophobicContact CE-CB 4.48Å; M258-R307 HydrophobicContact CE-CG 3.81Å; S300-R307 WeakPolarHBondContact O-CG 3.25Å; S303-R307 PolarHBondContact O-N 3.02Å; S303-R307 VanDerWaalsContact O-N 3.14Å; K304-R307 WeakPolarHBondContact O-CB 3.38Å; K304-R307 PolarHBondContact O-N 3.37Å; R307-L309 VanDerWaalsContact C-N 3.34Å; R307-G310 PolarHBondContact O-N 3.19Å; R307-C311 PolarHBondContact O-N 3.34Å
308	I	84.6	Confident	87	Confident	24 Å²	24	59.1 Å²	59.1	12%	0.123	32%	0.324	C	S	.	.	H	α-helix	trans	-63.3	-41.9	177.3	-66	166.1	0	0	0	110.5	K304 G305 C311 T312 I407 N411	K304-I308 VanDerWaalsContact O-CG1 3.26Å; K304-I308 WeakPolarHBondContact O-CG1 3.46Å; K304-I308 PolarHBondContact O-N 3.5Å; G305-I308 PolarHBondContact O-N 3.45Å; I308-C311 PolarHBondContact O-N 3.3Å; I308-T312 WeakPolarHBondContact O-CB 3.43Å; I308-T312 PolarHBondContact O-N 3.4Å; I308-T312 PolarHBondContact O-OG1 3.34Å; I308-I407 HydrophobicContact CG2-CG2 4.12Å; I308-N411 HydrophobicContact CD1-CB 3.93Å
309	L	87.5	Confident	87	Confident	71 Å²	71	61.9 Å²	61.9	37%	0.372	34%	0.337	S	S	.	.	H	α-helix	trans	-59.9	-48.2	174.7	179.6	64.2	0	0	0	111.3	G305 L306 R307 C311 T312 L313 F404	G305-L309 WeakPolarHBondContact O-CB 3.47Å; G305-L309 PolarHBondContact O-N 3.35Å; L306-L309 HydrophobicContact CD2-CD2 4.28Å; L306-L309 PolarHBondContact O-N 3.15Å; R307-L309 VanDerWaalsContact C-N 3.34Å; L309-C311 PolarHBondContact O-N 3.48Å; L309-T312 PolarHBondContact O-N 3.38Å; L309-L313 HydrophobicContact CD1-CD1 4.38Å; L309-L313 HydrophobicContact CD1-CG 4.29Å; L309-L313 HydrophobicContact CG-CD1 4.16Å; L309-L313 HydrophobicContact CG-CG 4.47Å; L309-L313 WeakPolarHBondContact O-CG 3.18Å; L309-L313 PolarHBondContact O-N 2.75Å; L309-F404 HydrophobicContact CD1-CD2 4.34Å; L309-F404 HydrophobicContact CD1-CE2 3.92Å
310	G	87.2	Confident	87.1	Confident	39 Å²	39	61.8 Å²	61.8	40%	0.402	34%	0.339	S	S	.	.	H	α-helix	trans	-61.5	-41	177.8	0	0	0	0	0	113	L306 R307 R314	L306-G310 PolarHBondContact O-N 3.31Å; R307-G310 PolarHBondContact O-N 3.19Å; G310-R314 PolarHBondContact O-N 3.12Å; G310-R314 VanDerWaalsContact O-N 3.1Å
311	C	83.9	Confident	87.2	Confident	68 Å²	68	63 Å²	63	46%	0.459	35%	0.353	S	S	.	.	H	α-helix	trans	-61.4	-46.4	172.8	-178.4	0	0	0	0	111.3	R307 I308 L309 L313 R314 C315	R307-C311 PolarHBondContact O-N 3.34Å; I308-C311 PolarHBondContact O-N 3.3Å; L309-C311 PolarHBondContact O-N 3.48Å; C311-L313 PolarHBondContact O-N 3.04Å; C311-R314 WeakPolarHBondContact O-CB 3.4Å; C311-R314 PolarHBondContact O-N 3Å; C311-C315 PolarHBondContact O-N 2.89Å; C311-C315 PolarHBondContact O-SG 2.96Å; C311-C315 VanDerWaalsContact O-SG 3.33Å
312	T	87.1	Confident	87.5	Confident	4 Å²	4	67.4 Å²	67.4	3%	0.025	37%	0.374	C	S	.	.	H	α-helix	trans	-62.8	-45.6	179.7	-56.1	0	0	0	0	111.9	I308 L309 R314 C315 C316 F404 I407	I308-T312 WeakPolarHBondContact O-CB 3.43Å; I308-T312 PolarHBondContact O-N 3.4Å; I308-T312 PolarHBondContact O-OG1 3.34Å; L309-T312 PolarHBondContact O-N 3.38Å; T312-R314 VanDerWaalsContact C-N 3.26Å; T312-R314 PolarHBondContact O-N 2.88Å; T312-C315 CarbonylContact O-C 3.57Å; T312-C315 WeakPolarHBondContact O-CB 3.45Å; T312-C315 PolarHBondContact O-N 3.48Å; T312-C315 VanDerWaalsContact O-N 3.11Å; T312-C316 WeakPolarHBondContact O-CB 3.36Å; T312-C316 PolarHBondContact O-N 2.95Å; T312-C316 PolarHBondContact O-SG 3.12Å; T312-F404 HydrophobicContact CG2-CB 3.88Å; T312-F404 HydrophobicContact CG2-CD2 3.82Å; T312-F404 HydrophobicContact CG2-CG 4.34Å; T312-I407 HydrophobicContact CG2-CD1 4.16Å
313	L	88.9	Confident	87.9	Confident	83 Å²	83	67.1 Å²	67.1	44%	0.435	37%	0.373	S	S	.	.	H	α-helix	trans	-60.4	-37.8	177	-72.9	174.3	0	0	0	111.6	L309 C311 C316 A317	L309-L313 HydrophobicContact CD1-CD1 4.38Å; L309-L313 HydrophobicContact CD1-CG 4.29Å; L309-L313 HydrophobicContact CG-CD1 4.16Å; L309-L313 HydrophobicContact CG-CG 4.47Å; L309-L313 WeakPolarHBondContact O-CG 3.18Å; L309-L313 PolarHBondContact O-N 2.75Å; C311-L313 PolarHBondContact O-N 3.04Å; L313-C316 CarbonylContact O-C 3.46Å; L313-C316 PolarHBondContact O-N 3.35Å; L313-A317 PolarHBondContact O-N 3.43Å; L313-A317 VanDerWaalsContact O-N 3.09Å
314	R	89.2	Confident	88.2	Confident	201 Å²	201	69.9 Å²	69.9	76%	0.758	38%	0.384	S	S	*	.	H	α-helix	trans	-65.3	-43.1	173.6	-177.8	179.3	179	165.5	-0.1	111.8	G310 C311 T312 C316 A317	G310-R314 PolarHBondContact O-N 3.12Å; G310-R314 VanDerWaalsContact O-N 3.1Å; C311-R314 WeakPolarHBondContact O-CB 3.4Å; C311-R314 PolarHBondContact O-N 3Å; T312-R314 VanDerWaalsContact C-N 3.26Å; T312-R314 PolarHBondContact O-N 2.88Å; R314-C316 VanDerWaalsContact C-N 3.26Å; R314-C316 PolarHBondContact O-N 3.4Å; R314-A317 VanDerWaalsContact O-CB 3.31Å; R314-A317 WeakPolarHBondContact O-CB 3.47Å; R314-A317 PolarHBondContact O-N 3.1Å
315	C	86.6	Confident	88.8	Confident	68 Å²	68	70 Å²	70	46%	0.459	39%	0.385	S	S	.	.	H	α-helix	trans	-65.9	-29.6	176.4	-68	0	0	0	0	112.7	C311 T312 I407	C311-C315 PolarHBondContact O-N 2.89Å; C311-C315 PolarHBondContact O-SG 2.96Å; C311-C315 VanDerWaalsContact O-SG 3.33Å; T312-C315 CarbonylContact O-C 3.57Å; T312-C315 WeakPolarHBondContact O-CB 3.45Å; T312-C315 PolarHBondContact O-N 3.48Å; T312-C315 VanDerWaalsContact O-N 3.11Å; C315-I407 HydrophobicContact CB-CD1 4.23Å
316	C	88.4	Confident	89.3	Confident	2 Å²	2	70 Å²	70	1%	0.014	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	16.5	179	-52.8	0	0	0	0	112.9	T312 L313 R314 S318 E319 L320 I400	T312-C316 WeakPolarHBondContact O-CB 3.36Å; T312-C316 PolarHBondContact O-N 2.95Å; T312-C316 PolarHBondContact O-SG 3.12Å; L313-C316 CarbonylContact O-C 3.46Å; L313-C316 PolarHBondContact O-N 3.35Å; R314-C316 VanDerWaalsContact C-N 3.26Å; R314-C316 PolarHBondContact O-N 3.4Å; C316-S318 VanDerWaalsContact C-N 3.29Å; C316-S318 PolarHBondContact O-N 3.09Å; C316-E319 VanDerWaalsContact C-OE2 3.28Å; C316-E319 VanDerWaalsContact CA-OE2 3.3Å; C316-E319 WeakPolarHBondContact CA-OE2 3.18Å; C316-E319 PolarHBondContact O-N 3.45Å; C316-L320 WeakPolarHBondContact O-CB 3.11Å; C316-L320 PolarHBondContact O-N 3.4Å; C316-I400 HydrophobicContact CB-CG1 4.49Å
317	A	90.8	Very high	89.6	Confident	56 Å²	56	68.3 Å²	68.3	46%	0.463	37%	0.368	S	S	.	.	H	α-helix	trans	-65.1	-33.6	-172.6	0	0	0	0	0	112.3	L313 R314 G321	L313-A317 PolarHBondContact O-N 3.43Å; L313-A317 VanDerWaalsContact O-N 3.09Å; R314-A317 VanDerWaalsContact O-CB 3.31Å; R314-A317 WeakPolarHBondContact O-CB 3.47Å; R314-A317 PolarHBondContact O-N 3.1Å; A317-G321 PolarHBondContact O-N 3.02Å
318	S	90.7	Very high	90.1	Very high	85 Å²	85	66.1 Å²	66.1	59%	0.594	37%	0.368	S	S	*	.	H	α-helix	trans	-63.5	-46.4	174.7	26.2	0	0	0	0	112.1	C316 G321 F322	C316-S318 VanDerWaalsContact C-N 3.29Å; C316-S318 PolarHBondContact O-N 3.09Å; S318-G321 PolarHBondContact O-N 2.89Å; S318-F322 PolarHBondContact O-N 3.25Å
319	E	91	Very high	90.6	Very high	58 Å²	58	69.1 Å²	69.1	27%	0.271	38%	0.383	S	S	.	.	H	α-helix	trans	-70.3	-42.7	-177.7	-66	74.2	-169.6	0	0	110.5	C316 G321 F322 L323 V399 I400	C316-E319 VanDerWaalsContact C-OE2 3.28Å; C316-E319 VanDerWaalsContact CA-OE2 3.3Å; C316-E319 WeakPolarHBondContact CA-OE2 3.18Å; C316-E319 PolarHBondContact O-N 3.45Å; E319-G321 VanDerWaalsContact C-N 3.35Å; E319-F322 PolarHBondContact O-N 3.16Å; E319-L323 PolarHBondContact O-N 2.89Å; E319-V399 HydrophobicContact CG-CG1 4.49Å; E319-I400 HydrophobicContact CB-CG1 4.28Å
320	L	91	Very high	91	Very high	64 Å²	64	66.2 Å²	66.2	34%	0.335	37%	0.37	S	S	.	.	H	α-helix	trans	-65	-40.2	174.1	-174.1	62.8	0	0	0	111.3	C316 L323 L324	C316-L320 WeakPolarHBondContact O-CB 3.11Å; C316-L320 PolarHBondContact O-N 3.4Å; L320-L323 HydrophobicContact CD1-CD2 4.3Å; L320-L323 PolarHBondContact O-N 3.46Å; L320-L324 HydrophobicContact CG-CD1 4.45Å; L320-L324 WeakPolarHBondContact O-CG 3.47Å; L320-L324 PolarHBondContact O-N 3.5Å
321	G	91.8	Very high	91.4	Very high	37 Å²	37	64.9 Å²	64.9	38%	0.381	35%	0.354	S	S	.	.	H	α-helix	trans	-60.8	-43.3	174	0	0	0	0	0	112.3	A317 S318 E319 L324 F325	A317-G321 PolarHBondContact O-N 3.02Å; S318-G321 PolarHBondContact O-N 2.89Å; E319-G321 VanDerWaalsContact C-N 3.35Å; G321-L324 PolarHBondContact O-N 2.84Å; G321-F325 WeakPolarHBondContact O-CB 3.46Å; G321-F325 PolarHBondContact O-N 3.18Å
322	F	91.2	Very high	92.1	Very high	128 Å²	128	65.5 Å²	65.5	56%	0.561	35%	0.352	S	S	*	.	H	α-helix	trans	-63.4	-41.7	174.5	177.9	-100.5	0	0	0	112.6	S318 E319 F325 T326	S318-F322 PolarHBondContact O-N 3.25Å; E319-F322 PolarHBondContact O-N 3.16Å; F322-F325 PolarHBondContact O-N 2.94Å; F322-T326 WeakPolarHBondContact O-CB 3.33Å; F322-T326 PolarHBondContact O-N 3.4Å; F322-T326 PolarHBondContact O-OG1 3.21Å
323	L	92.4	Very high	92.5	Very high	19 Å²	19	69.3 Å²	69.3	10%	0.099	37%	0.372	C	S	.	.	H	α-helix	trans	-60.4	-49.9	174.7	177.3	67.5	0	0	0	111.1	E319 L320 F325 T326 I327 V392 P396	E319-L323 PolarHBondContact O-N 2.89Å; L320-L323 HydrophobicContact CD1-CD2 4.3Å; L320-L323 PolarHBondContact O-N 3.46Å; L323-F325 VanDerWaalsContact C-N 3.33Å; L323-F325 PolarHBondContact O-N 3.36Å; L323-T326 PolarHBondContact O-N 2.9Å; L323-I327 HydrophobicContact CD1-CD1 3.84Å; L323-I327 HydrophobicContact CD1-CG1 4.28Å; L323-I327 HydrophobicContact CG-CD1 3.95Å; L323-I327 WeakPolarHBondContact O-CG1 3.45Å; L323-I327 PolarHBondContact O-N 3.42Å; L323-V392 HydrophobicContact CD1-CG1 4.5Å; L323-P396 HydrophobicContact CB-CB 4.29Å; L323-P396 HydrophobicContact CB-CG 4.3Å; L323-P396 HydrophobicContact CD1-CB 4.32Å; L323-P396 HydrophobicContact CD1-CG 3.87Å
324	L	93.1	Very high	92.9	Very high	101 Å²	101	66.9 Å²	66.9	53%	0.529	36%	0.358	S	S	.	.	H	α-helix	trans	-61.7	-40.7	178.4	-71.4	175.3	0	0	0	112.1	L320 G321 T328	L320-L324 HydrophobicContact CG-CD1 4.45Å; L320-L324 WeakPolarHBondContact O-CG 3.47Å; L320-L324 PolarHBondContact O-N 3.5Å; G321-L324 PolarHBondContact O-N 2.84Å; L324-T328 VanDerWaalsContact O-CB 3.31Å; L324-T328 WeakPolarHBondContact O-CB 3.28Å; L324-T328 PolarHBondContact O-N 2.92Å; L324-T328 PolarHBondContact O-OG1 2.88Å
325	F	93.9	Very high	93.3	Very high	128 Å²	128	57.3 Å²	57.3	56%	0.561	32%	0.322	S	S	*	.	H	α-helix	trans	-61.7	-47.8	175.5	176.3	-101.9	0	0	0	111.9	G321 F322 L323 T328 M329	G321-F325 WeakPolarHBondContact O-CB 3.46Å; G321-F325 PolarHBondContact O-N 3.18Å; F322-F325 PolarHBondContact O-N 2.94Å; L323-F325 VanDerWaalsContact C-N 3.33Å; L323-F325 PolarHBondContact O-N 3.36Å; F325-T328 PolarHBondContact O-N 3Å; F325-M329 HydrophobicContact CE1-CE 4.43Å; F325-M329 HydrophobicContact CE2-CE 4.32Å; F325-M329 HydrophobicContact CZ-CE 3.79Å; F325-M329 WeakPolarHBondContact O-CB 3.39Å; F325-M329 PolarHBondContact O-N 3.41Å
326	T	92.8	Very high	93.7	Very high	37 Å²	37	56.3 Å²	56.3	23%	0.227	31%	0.313	C	S	.	.	H	α-helix	trans	-66	-42.1	-178.7	-53	0	0	0	0	111.6	F322 L323 M329 G330 V392	F322-T326 WeakPolarHBondContact O-CB 3.33Å; F322-T326 PolarHBondContact O-N 3.4Å; F322-T326 PolarHBondContact O-OG1 3.21Å; L323-T326 PolarHBondContact O-N 2.9Å; T326-M329 PolarHBondContact O-N 3.21Å; T326-G330 PolarHBondContact O-N 2.83Å; T326-V392 HydrophobicContact CG2-CB 4.35Å; T326-V392 HydrophobicContact CG2-CG1 3.57Å; T326-V392 HydrophobicContact CG2-CG2 3.83Å
327	I	94.2	Very high	94.1	Very high	37 Å²	37	60 Å²	60	19%	0.19	33%	0.332	C	S	.	.	H	α-helix	trans	-62.9	-46.2	174.5	-69.4	174	0	0	0	110.4	L323 M329 G330 V331 V392 I393	L323-I327 HydrophobicContact CD1-CD1 3.84Å; L323-I327 HydrophobicContact CD1-CG1 4.28Å; L323-I327 HydrophobicContact CG-CD1 3.95Å; L323-I327 WeakPolarHBondContact O-CG1 3.45Å; L323-I327 PolarHBondContact O-N 3.42Å; I327-M329 VanDerWaalsContact C-N 3.34Å; I327-M329 PolarHBondContact O-N 2.9Å; I327-G330 PolarHBondContact O-N 3.22Å; I327-V331 HydrophobicContact CG2-CG2 4.17Å; I327-V331 VanDerWaalsContact O-CG2 3.28Å; I327-V331 WeakPolarHBondContact O-CG2 3.3Å; I327-V331 PolarHBondContact O-N 3.35Å; I327-V392 HydrophobicContact CG1-CG1 3.82Å; I327-I393 HydrophobicContact CD1-CG1 4.23Å
328	T	95.5	Very high	94.3	Very high	78 Å²	78	57.4 Å²	57.4	48%	0.479	31%	0.311	S	S	.	.	H	α-helix	trans	-60.7	-43.6	-179.9	-56.9	0	0	0	0	111.6	L324 F325 V331 I332	L324-T328 VanDerWaalsContact O-CB 3.31Å; L324-T328 WeakPolarHBondContact O-CB 3.28Å; L324-T328 PolarHBondContact O-N 2.92Å; L324-T328 PolarHBondContact O-OG1 2.88Å; F325-T328 PolarHBondContact O-N 3Å; T328-V331 PolarHBondContact O-N 2.98Å; T328-I332 HydrophobicContact CG2-CD1 4.12Å; T328-I332 WeakPolarHBondContact O-CG1 3.41Å; T328-I332 PolarHBondContact O-N 3.44Å
329	M	95.4	Very high	94.5	Very high	87 Å²	87	55 Å²	55	43%	0.429	29%	0.29	S	S	.	.	H	α-helix	trans	-60.7	-46.8	175.2	-172.4	69.8	77.5	0	0	111.5	F325 T326 I327 V331 I332 I333	F325-M329 HydrophobicContact CE1-CE 4.43Å; F325-M329 HydrophobicContact CE2-CE 4.32Å; F325-M329 HydrophobicContact CZ-CE 3.79Å; F325-M329 WeakPolarHBondContact O-CB 3.39Å; F325-M329 PolarHBondContact O-N 3.41Å; T326-M329 PolarHBondContact O-N 3.21Å; I327-M329 VanDerWaalsContact C-N 3.34Å; I327-M329 PolarHBondContact O-N 2.9Å; M329-V331 VanDerWaalsContact C-N 3.35Å; M329-V331 PolarHBondContact O-N 3.2Å; M329-I332 PolarHBondContact O-N 2.72Å; M329-I333 HydrophobicContact CG-CD1 3.88Å; M329-I333 VanDerWaalsContact O-CG1 3.31Å; M329-I333 WeakPolarHBondContact O-CG1 3.37Å; M329-I333 PolarHBondContact O-N 3.17Å; M329-I333 HydrophobicContact SD-CD1 4.33Å
330	G	95.4	Very high	94.7	Very high	10 Å²	10	59.2 Å²	59.2	10%	0.103	30%	0.304	C	S	.	.	H	α-helix	trans	-58.9	-45.1	175.6	0	0	0	0	0	112.2	T326 I327 I332 I333 F334	T326-G330 PolarHBondContact O-N 2.83Å; I327-G330 PolarHBondContact O-N 3.22Å; G330-I332 PolarHBondContact O-N 3.11Å; G330-I333 PolarHBondContact O-N 2.84Å; G330-F334 WeakPolarHBondContact O-CD2 3.46Å; G330-F334 PolarHBondContact O-N 3.06Å
331	V	96.9	Very high	94.8	Very high	11 Å²	11	57.5 Å²	57.5	7%	0.067	30%	0.299	C	S	.	.	H	α-helix	trans	-58.5	-46.9	177.2	171.2	0	0	0	0	111	I327 T328 M329 S335 F356 T359 I360 M363	I327-V331 HydrophobicContact CG2-CG2 4.17Å; I327-V331 VanDerWaalsContact O-CG2 3.28Å; I327-V331 WeakPolarHBondContact O-CG2 3.3Å; I327-V331 PolarHBondContact O-N 3.35Å; T328-V331 PolarHBondContact O-N 2.98Å; M329-V331 VanDerWaalsContact C-N 3.35Å; M329-V331 PolarHBondContact O-N 3.2Å; V331-S335 WeakPolarHBondContact O-CB 3.45Å; V331-S335 PolarHBondContact O-N 3.28Å; V331-S335 PolarHBondContact O-OG 3.09Å; V331-F356 HydrophobicContact CG1-CB 3.95Å; V331-F356 HydrophobicContact CG1-CD1 3.76Å; V331-F356 HydrophobicContact CG1-CE1 4.34Å; V331-F356 HydrophobicContact CG1-CG 3.86Å; V331-T359 HydrophobicContact CB-CG2 4.4Å; V331-T359 HydrophobicContact CG2-CG2 4.3Å; V331-I360 HydrophobicContact CG1-CD1 4.42Å; V331-I360 HydrophobicContact CG1-CG1 4.07Å; V331-I360 HydrophobicContact CG2-CG1 3.61Å; V331-M363 HydrophobicContact CG2-SD 4.02Å
332	I	97.3	Very high	94.9	Very high	81 Å²	81	55.9 Å²	55.9	42%	0.415	28%	0.281	S	S	.	.	H	α-helix	trans	-62.6	-47.1	179.5	-67.3	166.5	0	0	0	111.1	T328 M329 G330 T336 F356	T328-I332 HydrophobicContact CG2-CD1 4.12Å; T328-I332 WeakPolarHBondContact O-CG1 3.41Å; T328-I332 PolarHBondContact O-N 3.44Å; M329-I332 PolarHBondContact O-N 2.72Å; G330-I332 PolarHBondContact O-N 3.11Å; I332-T336 WeakPolarHBondContact O-CB 3.43Å; I332-T336 PolarHBondContact O-N 3.12Å; I332-T336 VanDerWaalsContact O-N 3.11Å; I332-T336 PolarHBondContact O-OG1 3.43Å; I332-F356 HydrophobicContact CG1-CZ 4.31Å
333	I	97	Very high	94.7	Very high	84 Å²	84	57 Å²	57	43%	0.431	29%	0.286	S	S	.	.	H	α-helix	trans	-64.2	-56.7	-177.1	-67.3	168.6	0	0	0	110.7	M329 G330 S335 T336 I337	M329-I333 HydrophobicContact CG-CD1 3.88Å; M329-I333 VanDerWaalsContact O-CG1 3.31Å; M329-I333 WeakPolarHBondContact O-CG1 3.37Å; M329-I333 PolarHBondContact O-N 3.17Å; M329-I333 HydrophobicContact SD-CD1 4.33Å; G330-I333 PolarHBondContact O-N 2.84Å; I333-S335 VanDerWaalsContact C-N 3.35Å; I333-S335 PolarHBondContact O-N 3.34Å; I333-T336 PolarHBondContact O-N 3.33Å; I333-I337 HydrophobicContact CG2-CD1 3.83Å; I333-I337 WeakPolarHBondContact O-CG1 3.26Å; I333-I337 PolarHBondContact O-N 2.75Å
334	F	96.8	Very high	94.1	Very high	33 Å²	33	59.3 Å²	59.3	15%	0.145	30%	0.304	C	S	.	.	H	α-helix	trans	-68.5	-34.4	-175.1	-72.8	-65.9	0	0	0	112.4	G330 T336 I337 I338 T359 M363 V381 I384 C385 S388	G330-F334 WeakPolarHBondContact O-CD2 3.46Å; G330-F334 PolarHBondContact O-N 3.06Å; F334-T336 VanDerWaalsContact C-N 3.33Å; F334-T336 PolarHBondContact O-N 3.08Å; F334-I337 PolarHBondContact O-N 3.43Å; F334-I338 WeakPolarHBondContact O-CB 3.49Å; F334-I338 WeakPolarHBondContact O-CG2 3.48Å; F334-I338 PolarHBondContact O-N 3.48Å; F334-T359 HydrophobicContact CB-CG2 3.65Å; F334-M363 HydrophobicContact CD2-SD 4.39Å; F334-V381 HydrophobicContact CD1-CG1 4.4Å; F334-I384 HydrophobicContact CE1-CG2 4.04Å; F334-I384 HydrophobicContact CZ-CG2 4.31Å; F334-C385 HydrophobicContact CB-CB 4.37Å; F334-C385 HydrophobicContact CD1-CB 3.84Å; F334-C385 HydrophobicContact CD2-CB 4.4Å; F334-C385 HydrophobicContact CE1-CB 4.21Å; F334-C385 HydrophobicContact CG-CB 3.95Å; F334-S388 WeakPolarHBondContact CE2-OG 3.31Å; F334-S388 VanDerWaalsContact CZ-OG 3.31Å; F334-S388 WeakPolarHBondContact CZ-OG 3.41Å
335	S	96.6	Very high	93	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-67.7	-34.5	175.9	-55.7	0	0	0	0	112.5	V331 I333 I338 F339 A355 F356 T359	V331-S335 WeakPolarHBondContact O-CB 3.45Å; V331-S335 PolarHBondContact O-N 3.28Å; V331-S335 PolarHBondContact O-OG 3.09Å; I333-S335 VanDerWaalsContact C-N 3.35Å; I333-S335 PolarHBondContact O-N 3.34Å; S335-I338 WeakPolarHBondContact O-CG2 3.21Å; S335-F339 WeakPolarHBondContact O-CB 3.45Å; S335-F339 PolarHBondContact O-N 2.92Å; S335-F339 VanDerWaalsContact O-N 3.11Å; S335-A355 PolarHBondContact OG-O 2.91Å; S335-F356 VanDerWaalsContact CB-CD1 3.44Å; S335-F356 WeakPolarHBondContact OG-CA 3.41Å; S335-F356 WeakPolarHBondContact OG-CD1 3.37Å; S335-T359 WeakPolarHBondContact OG-CB 3.16Å; S335-T359 PolarHBondContact OG-OG1 2.9Å
336	T	96.5	Very high	92.2	Very high	47 Å²	47	66 Å²	66	29%	0.288	34%	0.338	S	S	.	.	H	α-helix	trans	-68.1	-45.5	174.7	-55.7	0	0	0	0	110.5	I332 I333 F334 Y340	I332-T336 WeakPolarHBondContact O-CB 3.43Å; I332-T336 PolarHBondContact O-N 3.12Å; I332-T336 VanDerWaalsContact O-N 3.11Å; I332-T336 PolarHBondContact O-OG1 3.43Å; I333-T336 PolarHBondContact O-N 3.33Å; F334-T336 VanDerWaalsContact C-N 3.33Å; F334-T336 PolarHBondContact O-N 3.08Å; T336-Y340 HydrophobicContact CG2-CD2 4.03Å; T336-Y340 HydrophobicContact CG2-CE2 3.87Å; T336-Y340 WeakPolarHBondContact O-CD2 3.41Å; T336-Y340 PolarHBondContact O-N 3.15Å
337	I	96.2	Very high	91.6	Very high	79 Å²	79	65.5 Å²	65.5	41%	0.405	34%	0.335	S	S	.	.	H	α-helix	trans	-64.3	-47.2	179.7	-63.2	168.2	0	0	0	110.9	I333 F334 F339 Y340 A341 V381	I333-I337 HydrophobicContact CG2-CD1 3.83Å; I333-I337 WeakPolarHBondContact O-CG1 3.26Å; I333-I337 PolarHBondContact O-N 2.75Å; F334-I337 PolarHBondContact O-N 3.43Å; I337-F339 PolarHBondContact O-N 2.89Å; I337-Y340 PolarHBondContact O-N 3.33Å; I337-A341 WeakPolarHBondContact O-CB 3.35Å; I337-A341 PolarHBondContact O-N 2.91Å; I337-V381 HydrophobicContact CB-CG1 4.37Å; I337-V381 HydrophobicContact CG2-CB 4.47Å; I337-V381 HydrophobicContact CG2-CG1 3.81Å; I337-V381 HydrophobicContact CG2-CG2 3.76Å
338	I	95.1	Very high	91.2	Very high	2 Å²	2	68.2 Å²	68.2	1%	0.01	35%	0.347	C	S	.	.	H	α-helix	trans	-66.6	-37.9	-177.6	-160.2	68.1	0	0	0	111.8	F334 S335 Y340 A341 E342 F349 A355 Y358 P373 G378 V381	F334-I338 WeakPolarHBondContact O-CB 3.49Å; F334-I338 WeakPolarHBondContact O-CG2 3.48Å; F334-I338 PolarHBondContact O-N 3.48Å; S335-I338 WeakPolarHBondContact O-CG2 3.21Å; I338-Y340 VanDerWaalsContact C-N 3.34Å; I338-Y340 PolarHBondContact O-N 3.32Å; I338-A341 PolarHBondContact O-N 2.99Å; I338-E342 HydrophobicContact CD1-CG 4.29Å; I338-E342 HydrophobicContact CG1-CG 4.3Å; I338-E342 WeakPolarHBondContact O-CB 3.44Å; I338-E342 PolarHBondContact O-N 3.42Å; I338-F349 HydrophobicContact CG1-CD1 4.41Å; I338-F349 HydrophobicContact CG1-CE1 3.85Å; I338-F349 HydrophobicContact CG1-CE2 4.43Å; I338-F349 HydrophobicContact CG1-CZ 3.85Å; I338-F349 HydrophobicContact CG2-CD1 4.03Å; I338-F349 HydrophobicContact CG2-CE1 3.91Å; I338-A355 HydrophobicContact CG2-CB 3.98Å; I338-Y358 HydrophobicContact CD1-CE1 4.47Å; I338-Y358 HydrophobicContact CG1-CD1 4.36Å; I338-Y358 HydrophobicContact CG1-CE1 4.06Å; I338-Y358 HydrophobicContact CG2-CD1 4.41Å; I338-P373 HydrophobicContact CD1-CB 4.13Å; I338-G378 VanDerWaalsContact CD1-CA 3.47Å; I338-G378 WeakPolarHBondContact CD1-O 3.36Å; I338-V381 HydrophobicContact CB-CG1 4.46Å; I338-V381 HydrophobicContact CD1-CB 4.1Å; I338-V381 HydrophobicContact CD1-CG1 4.02Å
339	F	95.3	Very high	91	Very high	35 Å²	35	64.8 Å²	64.8	15%	0.154	33%	0.326	C	S	.	.	H	α-helix	trans	-58.7	-45.3	175.6	171.1	-103.1	0	0	0	111.6	S335 I337 K343 F349 I352	S335-F339 WeakPolarHBondContact O-CB 3.45Å; S335-F339 PolarHBondContact O-N 2.92Å; S335-F339 VanDerWaalsContact O-N 3.11Å; I337-F339 PolarHBondContact O-N 2.89Å; F339-K343 WeakPolarHBondContact O-CB 3.24Å; F339-K343 PolarHBondContact O-N 3.41Å; F339-F349 WeakPolarHBondContact CD2-O 3.23Å; F339-F349 WeakPolarHBondContact CE2-O 3.38Å; F339-I352 HydrophobicContact CB-CG1 4.28Å; F339-I352 HydrophobicContact CD1-CD1 4.42Å; F339-I352 HydrophobicContact CD1-CG1 3.79Å; F339-I352 HydrophobicContact CE1-CG1 4.27Å; F339-I352 HydrophobicContact CG-CG1 3.95Å
340	Y	94.7	Very high	90.7	Very high	146 Å²	146	65.2 Å²	65.2	57%	0.573	34%	0.337	S	S	*	.	H	α-helix	trans	-73.1	-32.6	176.8	-76	-66.5	0	0	0	113.1	T336 I337 I338	T336-Y340 HydrophobicContact CG2-CD2 4.03Å; T336-Y340 HydrophobicContact CG2-CE2 3.87Å; T336-Y340 WeakPolarHBondContact O-CD2 3.41Å; T336-Y340 PolarHBondContact O-N 3.15Å; I337-Y340 PolarHBondContact O-N 3.33Å; I338-Y340 VanDerWaalsContact C-N 3.34Å; I338-Y340 PolarHBondContact O-N 3.32Å
341	A	93.8	Very high	90.6	Very high	27 Å²	27	66.9 Å²	66.9	22%	0.223	35%	0.347	C	S	.	.	H	α-helix	trans	-69.5	-34.7	177.8	0	0	0	0	0	113.1	I337 I338 I377	I337-A341 WeakPolarHBondContact O-CB 3.35Å; I337-A341 PolarHBondContact O-N 2.91Å; I338-A341 PolarHBondContact O-N 2.99Å; A341-I377 HydrophobicContact CB-CB 4.48Å; A341-I377 HydrophobicContact CB-CG2 3.88Å
342	E	92.2	Very high	90.5	Very high	3 Å²	3	69 Å²	69	1%	0.014	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	9.2	-178.3	-67.4	-73.2	143.6	0	0	112.9	I338 S344 S347 F349 P373 T374 T375 G378	I338-E342 HydrophobicContact CD1-CG 4.29Å; I338-E342 HydrophobicContact CG1-CG 4.3Å; I338-E342 WeakPolarHBondContact O-CB 3.44Å; I338-E342 PolarHBondContact O-N 3.42Å; E342-S344 PolarHBondContact O-N 3.46Å; E342-S344 PolarHBondContact O-OG 2.92Å; E342-S347 WeakPolarHBondContact O-CB 3.49Å; E342-S347 PolarHBondContact O-OG 2.7Å; E342-F349 HydrophobicContact CB-CB 4.45Å; E342-F349 HydrophobicContact CB-CD2 3.47Å; E342-F349 VanDerWaalsContact CB-CD2 3.47Å; E342-F349 HydrophobicContact CB-CE2 4.02Å; E342-F349 HydrophobicContact CB-CG 4.17Å; E342-F349 HydrophobicContact CG-CD2 3.68Å; E342-F349 HydrophobicContact CG-CE2 3.66Å; E342-P373 HydrophobicContact CG-CB 4.11Å; E342-P373 WeakPolarHBondContact OE1-CA 3.46Å; E342-P373 VanDerWaalsContact OE1-CB 3.27Å; E342-P373 WeakPolarHBondContact OE1-CB 3.31Å; E342-T374 VanDerWaalsContact CD-N 3.34Å; E342-T374 PolarHBondContact OE1-N 3.4Å; E342-T374 PolarHBondContact OE2-N 3.39Å; E342-T374 PolarHBondContact OE2-OG1 3.26Å; E342-T375 WeakPolarHBondContact OE1-CA 3.37Å; E342-T375 VanDerWaalsContact OE1-CB 3.23Å; E342-T375 WeakPolarHBondContact OE1-CB 3.42Å; E342-T375 WeakPolarHBondContact OE1-CG2 3.5Å; E342-T375 PolarHBondContact OE1-N 2.9Å; E342-T375 PolarHBondContact OE1-OG1 3.36Å; E342-T375 PolarHBondContact OE2-N 3.38Å; E342-G378 WeakPolarHBondContact OE1-CA 3.1Å
343	K	87.1	Confident	90.4	Very high	152 Å²	152	69.1 Å²	69.1	66%	0.661	36%	0.364	S	S	*	.			trans	-62.3	101.3	-177.3	-171.7	176.3	179.5	179.6	0	110.6	F339	F339-K343 WeakPolarHBondContact O-CB 3.24Å; F339-K343 PolarHBondContact O-N 3.41Å
344	S	80	Confident	90.3	Very high	68 Å²	68	66.5 Å²	66.5	48%	0.476	36%	0.355	S	S	.	.	S	Bend	trans	-153.7	165.6	177.3	67.3	0	0	0	0	110.2	E342 I346 S347	E342-S344 PolarHBondContact O-N 3.46Å; E342-S344 PolarHBondContact O-OG 2.92Å; S344-I346 PolarHBondContact O-N 3.2Å; S344-S347 VanDerWaalsContact O-CB 3.27Å; S344-S347 WeakPolarHBondContact O-CB 3.35Å; S344-S347 PolarHBondContact O-N 2.89Å; S344-S347 PolarHBondContact OG-N 3.05Å
345	E	70.2	Confident	90.2	Very high	207 Å²	207	64.9 Å²	64.9	97%	0.967	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-23.2	-178.8	-62.6	-168.5	167.4	0	0	113.6
346	I	77.3	Confident	90.3	Very high	163 Å²	163	68.1 Å²	68.1	84%	0.836	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	12.3	-178.5	-40.8	177.1	0	0	0	110.7	S344	S344-I346 PolarHBondContact O-N 3.2Å
347	S	79.9	Confident	90.3	Very high	25 Å²	25	71.3 Å²	71.3	18%	0.175	37%	0.369	C	S	.	.			trans	-71	136	-174.7	-165.8	0	0	0	0	112.2	E342 S344 F349	E342-S347 WeakPolarHBondContact O-CB 3.49Å; E342-S347 PolarHBondContact O-OG 2.7Å; S344-S347 VanDerWaalsContact O-CB 3.27Å; S344-S347 WeakPolarHBondContact O-CB 3.35Å; S344-S347 PolarHBondContact O-N 2.89Å; S344-S347 PolarHBondContact OG-N 3.05Å; S347-F349 PolarHBondContact O-N 3.39Å; S347-F349 PolarHBondContact OG-N 3.37Å; S347-F349 VanDerWaalsContact OG-N 3.14Å
348	Q	86.2	Confident	90.2	Very high	94 Å²	94	68.7 Å²	68.7	44%	0.439	35%	0.354	S	S	.	.	S	Bend	trans	-71.4	-13	166.9	-60.8	-174.3	-58.7	0	0	112.1	S350 D370 I371 V372	Q348-S350 PolarHBondContact O-N 3.36Å; Q348-D370 PolarHBondContact NE2-O 3.07Å; Q348-D370 VanDerWaalsContact NE2-O 3.11Å; Q348-I371 HydrophobicContact CB-CG2 3.95Å; Q348-V372 PolarHBondContact OE1-O 2.63Å
349	F	90.4	Very high	90.3	Very high	6 Å²	6	68.6 Å²	68.6	3%	0.026	35%	0.353	C	S	.	.			trans	-92.5	73.9	-178.1	-61.7	-87.9	0	0	0	111.5	I338 F339 E342 S347 S351 A355 Y358 I371	I338-F349 HydrophobicContact CG1-CD1 4.41Å; I338-F349 HydrophobicContact CG1-CE1 3.85Å; I338-F349 HydrophobicContact CG1-CE2 4.43Å; I338-F349 HydrophobicContact CG1-CZ 3.85Å; I338-F349 HydrophobicContact CG2-CD1 4.03Å; I338-F349 HydrophobicContact CG2-CE1 3.91Å; F339-F349 WeakPolarHBondContact CD2-O 3.23Å; F339-F349 WeakPolarHBondContact CE2-O 3.38Å; E342-F349 HydrophobicContact CB-CB 4.45Å; E342-F349 HydrophobicContact CB-CD2 3.47Å; E342-F349 VanDerWaalsContact CB-CD2 3.47Å; E342-F349 HydrophobicContact CB-CE2 4.02Å; E342-F349 HydrophobicContact CB-CG 4.17Å; E342-F349 HydrophobicContact CG-CD2 3.68Å; E342-F349 HydrophobicContact CG-CE2 3.66Å; S347-F349 PolarHBondContact O-N 3.39Å; S347-F349 PolarHBondContact OG-N 3.37Å; S347-F349 VanDerWaalsContact OG-N 3.14Å; F349-S351 PolarHBondContact O-N 3.49Å; F349-A355 HydrophobicContact CD1-CB 3.87Å; F349-Y358 AromaticContact CE1-CD1 3.66Å; F349-Y358 HydrophobicContact CE1-CD1 3.66Å; F349-Y358 HydrophobicContact CE1-CD2 4.37Å; F349-Y358 HydrophobicContact CE1-CE1 4.36Å; F349-Y358 AromaticContact CE1-CG 3.66Å; F349-Y358 HydrophobicContact CE1-CG 3.66Å; F349-Y358 AromaticContact CZ-CD1 3.99Å; F349-Y358 HydrophobicContact CZ-CD1 3.99Å; F349-Y358 HydrophobicContact CZ-CD2 4.22Å; F349-Y358 HydrophobicContact CZ-CE1 4.32Å; F349-Y358 AromaticContact CZ-CG 3.93Å; F349-Y358 HydrophobicContact CZ-CG 3.93Å; F349-I371 HydrophobicContact CD1-CG2 4.24Å; F349-I371 HydrophobicContact CE1-CG2 3.71Å; F349-I371 HydrophobicContact CE2-CG2 3.99Å; F349-I371 HydrophobicContact CZ-CG2 3.57Å
350	S	90.4	Very high	90.4	Very high	96 Å²	96	70.4 Å²	70.4	67%	0.671	36%	0.364	S	S	*	.			trans	-67.4	-32.3	-173.4	62.3	0	0	0	0	114.9	Q348 A354	Q348-S350 PolarHBondContact O-N 3.36Å; S350-A354 WeakPolarHBondContact OG-CB 3.47Å
351	S	93.1	Very high	90.5	Very high	46 Å²	46	63.7 Å²	63.7	32%	0.322	34%	0.338	S	S	.	.	S	Bend	trans	-155.9	162.9	-179	64.4	0	0	0	0	110.8	F349 A354 A355	F349-S351 PolarHBondContact O-N 3.49Å; S351-A354 WeakPolarHBondContact O-CB 3.36Å; S351-A354 PolarHBondContact O-N 2.96Å; S351-A354 VanDerWaalsContact O-N 3.11Å; S351-A354 WeakPolarHBondContact OG-CB 3.14Å; S351-A354 PolarHBondContact OG-N 3.39Å; S351-A355 PolarHBondContact O-N 3.28Å
352	I	95	Very high	90.6	Very high	54 Å²	54	63.4 Å²	63.4	28%	0.277	33%	0.334	S	S	.	.	H	α-helix	trans	-58	-44.8	177.3	-60.5	170.4	0	0	0	111.6	F339 A354 A355 F356	F339-I352 HydrophobicContact CB-CG1 4.28Å; F339-I352 HydrophobicContact CD1-CD1 4.42Å; F339-I352 HydrophobicContact CD1-CG1 3.79Å; F339-I352 HydrophobicContact CE1-CG1 4.27Å; F339-I352 HydrophobicContact CG-CG1 3.95Å; I352-A354 VanDerWaalsContact C-N 3.32Å; I352-A354 PolarHBondContact O-N 3.22Å; I352-A355 WeakPolarHBondContact O-CB 3.4Å; I352-A355 PolarHBondContact O-N 2.92Å; I352-A355 VanDerWaalsContact O-N 3.12Å; I352-F356 HydrophobicContact CG2-CD1 4.38Å; I352-F356 HydrophobicContact CG2-CE1 3.66Å; I352-F356 HydrophobicContact CG2-CZ 4.2Å; I352-F356 VanDerWaalsContact O-CD1 3.24Å; I352-F356 WeakPolarHBondContact O-CD1 3.4Å; I352-F356 PolarHBondContact O-N 3.19Å; I352-F356 VanDerWaalsContact O-N 3.12Å
353	P	95.8	Very high	90.7	Very high	85 Å²	85	63.5 Å²	63.5	55%	0.552	33%	0.334	S	S	*	.	H	α-helix	trans	-63.6	-33.2	174.2	-24.6	36	0	0	0	114	A355 F356	P353-A355 VanDerWaalsContact C-N 3.32Å; P353-F356 HydrophobicContact CB-CD2 4.48Å; P353-F356 VanDerWaalsContact O-CB 3.28Å; P353-F356 WeakPolarHBondContact O-CB 3.11Å; P353-F356 PolarHBondContact O-N 3.08Å
354	A	93.7	Very high	91.1	Very high	28 Å²	28	58.4 Å²	58.4	23%	0.231	32%	0.316	C	S	.	.	H	α-helix	trans	-66.4	-36.9	172.9	0	0	0	0	0	111.3	S350 S351 I352 F356 W357	S350-A354 WeakPolarHBondContact OG-CB 3.47Å; S351-A354 WeakPolarHBondContact O-CB 3.36Å; S351-A354 PolarHBondContact O-N 2.96Å; S351-A354 VanDerWaalsContact O-N 3.11Å; S351-A354 WeakPolarHBondContact OG-CB 3.14Å; S351-A354 PolarHBondContact OG-N 3.39Å; I352-A354 VanDerWaalsContact C-N 3.32Å; I352-A354 PolarHBondContact O-N 3.22Å; A354-F356 PolarHBondContact O-N 3.46Å; A354-W357 WeakPolarHBondContact O-CB 3.28Å; A354-W357 PolarHBondContact O-N 2.91Å
355	A	95.6	Very high	91.8	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-67	-22	173.9	0	0	0	0	0	113.3	S335 I338 F349 S351 I352 P353 W357 Y358 T359	S335-A355 PolarHBondContact OG-O 2.91Å; I338-A355 HydrophobicContact CG2-CB 3.98Å; F349-A355 HydrophobicContact CD1-CB 3.87Å; S351-A355 PolarHBondContact O-N 3.28Å; I352-A355 WeakPolarHBondContact O-CB 3.4Å; I352-A355 PolarHBondContact O-N 2.92Å; I352-A355 VanDerWaalsContact O-N 3.12Å; P353-A355 VanDerWaalsContact C-N 3.32Å; A355-W357 PolarHBondContact O-N 3.11Å; A355-Y358 PolarHBondContact O-N 3.43Å; A355-T359 PolarHBondContact O-N 3.41Å; A355-T359 PolarHBondContact O-OG1 2.9Å; A355-T359 VanDerWaalsContact O-OG1 3.07Å
356	F	96.9	Very high	93	Very high	67 Å²	67	54.8 Å²	54.8	29%	0.294	30%	0.301	S	S	.	.	H	α-helix	trans	-57.3	-39.1	173.4	-67.4	-7.8	0	0	0	111.5	V331 I332 S335 I352 P353 A354 T359 I360	V331-F356 HydrophobicContact CG1-CB 3.95Å; V331-F356 HydrophobicContact CG1-CD1 3.76Å; V331-F356 HydrophobicContact CG1-CE1 4.34Å; V331-F356 HydrophobicContact CG1-CG 3.86Å; I332-F356 HydrophobicContact CG1-CZ 4.31Å; S335-F356 VanDerWaalsContact CB-CD1 3.44Å; S335-F356 WeakPolarHBondContact OG-CA 3.41Å; S335-F356 WeakPolarHBondContact OG-CD1 3.37Å; I352-F356 HydrophobicContact CG2-CD1 4.38Å; I352-F356 HydrophobicContact CG2-CE1 3.66Å; I352-F356 HydrophobicContact CG2-CZ 4.2Å; I352-F356 VanDerWaalsContact O-CD1 3.24Å; I352-F356 WeakPolarHBondContact O-CD1 3.4Å; I352-F356 PolarHBondContact O-N 3.19Å; I352-F356 VanDerWaalsContact O-N 3.12Å; P353-F356 HydrophobicContact CB-CD2 4.48Å; P353-F356 VanDerWaalsContact O-CB 3.28Å; P353-F356 WeakPolarHBondContact O-CB 3.11Å; P353-F356 PolarHBondContact O-N 3.08Å; A354-F356 PolarHBondContact O-N 3.46Å; F356-T359 PolarHBondContact O-N 3.32Å; F356-I360 HydrophobicContact CB-CD1 4.43Å; F356-I360 WeakPolarHBondContact O-CB 3.23Å; F356-I360 WeakPolarHBondContact O-CD1 3.12Å; F356-I360 WeakPolarHBondContact O-CG1 3.44Å; F356-I360 PolarHBondContact O-N 3.5Å
357	W	96.6	Very high	93.9	Very high	115 Å²	115	49.7 Å²	49.7	44%	0.436	29%	0.288	S	S	.	.	H	α-helix	trans	-59.5	-52.3	179	175	-115.3	0	0	0	111.8	A354 A355 T359 I360 V361 Y368 D370	A354-W357 WeakPolarHBondContact O-CB 3.28Å; A354-W357 PolarHBondContact O-N 2.91Å; A355-W357 PolarHBondContact O-N 3.11Å; W357-T359 VanDerWaalsContact C-N 3.34Å; W357-T359 PolarHBondContact O-N 3.39Å; W357-I360 PolarHBondContact O-N 2.88Å; W357-V361 HydrophobicContact CD2-CG2 4.01Å; W357-V361 HydrophobicContact CE3-CG2 4.13Å; W357-V361 HydrophobicContact CH2-CG2 4.04Å; W357-V361 HydrophobicContact CZ2-CG2 3.9Å; W357-V361 HydrophobicContact CZ3-CG2 4.14Å; W357-V361 WeakPolarHBondContact O-CB 3.24Å; W357-V361 VanDerWaalsContact O-CG2 3.25Å; W357-V361 WeakPolarHBondContact O-CG2 3.41Å; W357-V361 PolarHBondContact O-N 3.38Å; W357-Y368 HydrophobicContact CH2-CD2 4.1Å; W357-Y368 AromaticContact CH2-CE2 3.67Å; W357-Y368 HydrophobicContact CH2-CE2 3.67Å; W357-Y368 AromaticContact CZ2-CD2 3.61Å; W357-Y368 HydrophobicContact CZ2-CD2 3.61Å; W357-Y368 AromaticContact CZ2-CE2 3.68Å; W357-Y368 HydrophobicContact CZ2-CE2 3.68Å; W357-D370 PolarHBondContact NE1-OD2 2.83Å
358	Y	96	Very high	94.6	Very high	23 Å²	23	55.3 Å²	55.3	9%	0.09	31%	0.307	C	S	.	.	H	α-helix	trans	-56.7	-47	175.2	169.3	-99.4	0	0	0	111.8	I338 F349 A355 V361 T362 I371 P373	I338-Y358 HydrophobicContact CD1-CE1 4.47Å; I338-Y358 HydrophobicContact CG1-CD1 4.36Å; I338-Y358 HydrophobicContact CG1-CE1 4.06Å; I338-Y358 HydrophobicContact CG2-CD1 4.41Å; F349-Y358 AromaticContact CE1-CD1 3.66Å; F349-Y358 HydrophobicContact CE1-CD1 3.66Å; F349-Y358 HydrophobicContact CE1-CD2 4.37Å; F349-Y358 HydrophobicContact CE1-CE1 4.36Å; F349-Y358 AromaticContact CE1-CG 3.66Å; F349-Y358 HydrophobicContact CE1-CG 3.66Å; F349-Y358 AromaticContact CZ-CD1 3.99Å; F349-Y358 HydrophobicContact CZ-CD1 3.99Å; F349-Y358 HydrophobicContact CZ-CD2 4.22Å; F349-Y358 HydrophobicContact CZ-CE1 4.32Å; F349-Y358 AromaticContact CZ-CG 3.93Å; F349-Y358 HydrophobicContact CZ-CG 3.93Å; A355-Y358 PolarHBondContact O-N 3.43Å; Y358-V361 PolarHBondContact O-N 2.99Å; Y358-T362 WeakPolarHBondContact CE2-OG1 3.37Å; Y358-T362 VanDerWaalsContact O-CB 3.26Å; Y358-T362 WeakPolarHBondContact O-CB 3.35Å; Y358-T362 PolarHBondContact O-N 3.48Å; Y358-T362 PolarHBondContact O-OG1 3.43Å; Y358-I371 HydrophobicContact CD2-CB 4.4Å; Y358-I371 HydrophobicContact CD2-CG2 4.25Å; Y358-I371 WeakPolarHBondContact CD2-O 3.45Å; Y358-I371 HydrophobicContact CG-CG2 4.39Å; Y358-P373 WeakPolarHBondContact OH-CD 3.28Å; Y358-P373 WeakPolarHBondContact OH-CG 3.25Å
359	T	96.6	Very high	95	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-66.9	-41.2	-176.8	-57.4	0	0	0	0	112.1	V331 F334 S335 A355 F356 W357 T362 M363	V331-T359 HydrophobicContact CB-CG2 4.4Å; V331-T359 HydrophobicContact CG2-CG2 4.3Å; F334-T359 HydrophobicContact CB-CG2 3.65Å; S335-T359 WeakPolarHBondContact OG-CB 3.16Å; S335-T359 PolarHBondContact OG-OG1 2.9Å; A355-T359 PolarHBondContact O-N 3.41Å; A355-T359 PolarHBondContact O-OG1 2.9Å; A355-T359 VanDerWaalsContact O-OG1 3.07Å; F356-T359 PolarHBondContact O-N 3.32Å; W357-T359 VanDerWaalsContact C-N 3.34Å; W357-T359 PolarHBondContact O-N 3.39Å; T359-T362 PolarHBondContact O-N 2.83Å; T359-M363 HydrophobicContact CG2-CG 4.15Å; T359-M363 HydrophobicContact CG2-SD 3.97Å; T359-M363 VanDerWaalsContact O-CB 3.31Å; T359-M363 WeakPolarHBondContact O-CB 3.22Å; T359-M363 VanDerWaalsContact O-CG 3.3Å; T359-M363 WeakPolarHBondContact O-CG 3.49Å; T359-M363 PolarHBondContact O-N 3.07Å
360	I	96.4	Very high	95.2	Very high	73 Å²	73	56.7 Å²	56.7	37%	0.374	33%	0.33	S	S	.	.	H	α-helix	trans	-61.8	-49.5	175.9	-70.3	164.2	0	0	0	110.2	V331 F356 W357 T362 M363 T364	V331-I360 HydrophobicContact CG1-CD1 4.42Å; V331-I360 HydrophobicContact CG1-CG1 4.07Å; V331-I360 HydrophobicContact CG2-CG1 3.61Å; F356-I360 HydrophobicContact CB-CD1 4.43Å; F356-I360 WeakPolarHBondContact O-CB 3.23Å; F356-I360 WeakPolarHBondContact O-CD1 3.12Å; F356-I360 WeakPolarHBondContact O-CG1 3.44Å; F356-I360 PolarHBondContact O-N 3.5Å; W357-I360 PolarHBondContact O-N 2.88Å; I360-T362 VanDerWaalsContact C-N 3.27Å; I360-T362 PolarHBondContact O-N 3.01Å; I360-M363 PolarHBondContact O-N 2.91Å; I360-T364 WeakPolarHBondContact O-CB 3.24Å; I360-T364 WeakPolarHBondContact O-CG2 3.32Å; I360-T364 PolarHBondContact O-N 3.09Å; I360-T364 PolarHBondContact O-OG1 3.21Å
361	V	96.7	Very high	95.3	Very high	5 Å²	5	53.5 Å²	53.5	3%	0.03	31%	0.305	C	S	.	.	H	α-helix	trans	-62.6	-35.2	-179.9	169.9	0	0	0	0	111.6	W357 Y358 T364 T365 L366 G367 Y368	W357-V361 HydrophobicContact CD2-CG2 4.01Å; W357-V361 HydrophobicContact CE3-CG2 4.13Å; W357-V361 HydrophobicContact CH2-CG2 4.04Å; W357-V361 HydrophobicContact CZ2-CG2 3.9Å; W357-V361 HydrophobicContact CZ3-CG2 4.14Å; W357-V361 WeakPolarHBondContact O-CB 3.24Å; W357-V361 VanDerWaalsContact O-CG2 3.25Å; W357-V361 WeakPolarHBondContact O-CG2 3.41Å; W357-V361 PolarHBondContact O-N 3.38Å; Y358-V361 PolarHBondContact O-N 2.99Å; V361-T364 PolarHBondContact O-OG1 3.38Å; V361-T365 PolarHBondContact O-N 3.4Å; V361-L366 HydrophobicContact CG1-CB 4Å; V361-L366 PolarHBondContact O-N 3.2Å; V361-G367 VanDerWaalsContact CG1-N 3.3Å; V361-G367 PolarHBondContact O-N 3.47Å; V361-Y368 HydrophobicContact CB-CD2 4.38Å; V361-Y368 HydrophobicContact CG1-CD2 3.7Å; V361-Y368 HydrophobicContact CG1-CE2 4.37Å; V361-Y368 HydrophobicContact CG1-CG 4.27Å; V361-Y368 HydrophobicContact CG2-CD2 3.66Å; V361-Y368 HydrophobicContact CG2-CE2 3.84Å
362	T	96.1	Very high	95.4	Very high	22 Å²	22	54.6 Å²	54.6	14%	0.135	31%	0.309	C	S	.	.	H	α-helix	trans	-76.8	-46.6	178.4	-57	0	0	0	0	112.1	Y358 T359 I360 T364 T365 C385	Y358-T362 WeakPolarHBondContact CE2-OG1 3.37Å; Y358-T362 VanDerWaalsContact O-CB 3.26Å; Y358-T362 WeakPolarHBondContact O-CB 3.35Å; Y358-T362 PolarHBondContact O-N 3.48Å; Y358-T362 PolarHBondContact O-OG1 3.43Å; T359-T362 PolarHBondContact O-N 2.83Å; I360-T362 VanDerWaalsContact C-N 3.27Å; I360-T362 PolarHBondContact O-N 3.01Å; T362-T364 VanDerWaalsContact C-N 3.28Å; T362-T364 PolarHBondContact O-N 2.92Å; T362-T365 PolarHBondContact O-N 2.95Å; T362-C385 HydrophobicContact CG2-CB 4.41Å
363	M	94.9	Very high	95.3	Very high	4 Å²	4	52.8 Å²	52.8	2%	0.02	30%	0.301	C	S	.	.	H	α-helix	trans	-64	-34.1	178.6	-75.5	-173.4	72.7	0	0	112.3	V331 F334 T359 I360 T365 G389	V331-M363 HydrophobicContact CG2-SD 4.02Å; F334-M363 HydrophobicContact CD2-SD 4.39Å; T359-M363 HydrophobicContact CG2-CG 4.15Å; T359-M363 HydrophobicContact CG2-SD 3.97Å; T359-M363 VanDerWaalsContact O-CB 3.31Å; T359-M363 WeakPolarHBondContact O-CB 3.22Å; T359-M363 VanDerWaalsContact O-CG 3.3Å; T359-M363 WeakPolarHBondContact O-CG 3.49Å; T359-M363 PolarHBondContact O-N 3.07Å; I360-M363 PolarHBondContact O-N 2.91Å; M363-T365 VanDerWaalsContact C-N 3.26Å; M363-G389 CarbonylContact O-C 3.38Å; M363-G389 VanDerWaalsContact O-CA 3.29Å; M363-G389 WeakPolarHBondContact O-CA 3.37Å
364	T	94.6	Very high	95.1	Very high	46 Å²	46	53.1 Å²	53.1	28%	0.282	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	2.3	175.9	56.5	0	0	0	0	113.4	I360 V361 T362 L366 I393	I360-T364 WeakPolarHBondContact O-CB 3.24Å; I360-T364 WeakPolarHBondContact O-CG2 3.32Å; I360-T364 PolarHBondContact O-N 3.09Å; I360-T364 PolarHBondContact O-OG1 3.21Å; V361-T364 PolarHBondContact O-OG1 3.38Å; T362-T364 VanDerWaalsContact C-N 3.28Å; T362-T364 PolarHBondContact O-N 2.92Å; T364-L366 PolarHBondContact O-N 2.9Å; T364-L366 WeakPolarHBondContact OG1-CG 3.48Å; T364-I393 HydrophobicContact CG2-CD1 4.3Å
365	T	95.4	Very high	95.1	Very high	97 Å²	97	54 Å²	54	60%	0.595	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	21.3	-179.7	66.9	0	0	0	0	115	V361 T362 M363 V390	V361-T365 PolarHBondContact O-N 3.4Å; T362-T365 PolarHBondContact O-N 2.95Å; M363-T365 VanDerWaalsContact C-N 3.26Å; T365-V390 HydrophobicContact CG2-CG2 3.47Å; T365-V390 VanDerWaalsContact CG2-CG2 3.47Å
366	L	96.3	Very high	95.1	Very high	102 Å²	102	60.3 Å²	60.3	53%	0.534	34%	0.337	S	S	.	.			trans	-70.2	-49.1	176.7	-71.4	175.5	0	0	0	111.7	V361 T364 Y368	V361-L366 HydrophobicContact CG1-CB 4Å; V361-L366 PolarHBondContact O-N 3.2Å; T364-L366 PolarHBondContact O-N 2.9Å; T364-L366 WeakPolarHBondContact OG1-CG 3.48Å; L366-Y368 HydrophobicContact CD1-CE2 4.25Å
367	G	94.7	Very high	94.9	Very high	55 Å²	55	62.5 Å²	62.5	57%	0.567	35%	0.35	S	S	*	.			trans	59.1	54.6	172.7	0	0	0	0	0	116.1	V361 G369	V361-G367 VanDerWaalsContact CG1-N 3.3Å; V361-G367 PolarHBondContact O-N 3.47Å; G367-G369 PolarHBondContact O-N 3.16Å
368	Y	96	Very high	94.8	Very high	144 Å²	144	57 Å²	57	57%	0.565	33%	0.329	S	S	*	.			trans	-58.7	-31.7	179.1	-66.3	-56.7	0	0	0	114.4	W357 V361 L366	W357-Y368 HydrophobicContact CH2-CD2 4.1Å; W357-Y368 AromaticContact CH2-CE2 3.67Å; W357-Y368 HydrophobicContact CH2-CE2 3.67Å; W357-Y368 AromaticContact CZ2-CD2 3.61Å; W357-Y368 HydrophobicContact CZ2-CD2 3.61Å; W357-Y368 AromaticContact CZ2-CE2 3.68Å; W357-Y368 HydrophobicContact CZ2-CE2 3.68Å; V361-Y368 HydrophobicContact CB-CD2 4.38Å; V361-Y368 HydrophobicContact CG1-CD2 3.7Å; V361-Y368 HydrophobicContact CG1-CE2 4.37Å; V361-Y368 HydrophobicContact CG1-CG 4.27Å; V361-Y368 HydrophobicContact CG2-CD2 3.66Å; V361-Y368 HydrophobicContact CG2-CE2 3.84Å; L366-Y368 HydrophobicContact CD1-CE2 4.25Å
369	G	93.5	Very high	94.8	Very high	52 Å²	52	61.9 Å²	61.9	54%	0.536	35%	0.351	S	S	.	.			trans	81.8	11	177.7	0	0	0	0	0	115.2	G367	G367-G369 PolarHBondContact O-N 3.16Å
370	D	94.3	Very high	94.8	Very high	77 Å²	77	66.8 Å²	66.8	41%	0.412	38%	0.376	S	S	.	.	S	Bend	trans	-73.5	-33.9	175.5	60.6	-40.9	0	0	0	112.9	Q348 W357	Q348-D370 PolarHBondContact NE2-O 3.07Å; Q348-D370 VanDerWaalsContact NE2-O 3.11Å; W357-D370 PolarHBondContact NE1-OD2 2.83Å
371	I	93.3	Very high	94.8	Very high	29 Å²	29	64.1 Å²	64.1	15%	0.149	36%	0.363	C	S	.	.	S	Bend	trans	-123.2	128.1	171.7	-57	-178	0	0	0	108.5	Q348 F349 Y358	Q348-I371 HydrophobicContact CB-CG2 3.95Å; F349-I371 HydrophobicContact CD1-CG2 4.24Å; F349-I371 HydrophobicContact CE1-CG2 3.71Å; F349-I371 HydrophobicContact CE2-CG2 3.99Å; F349-I371 HydrophobicContact CZ-CG2 3.57Å; Y358-I371 HydrophobicContact CD2-CB 4.4Å; Y358-I371 HydrophobicContact CD2-CG2 4.25Å; Y358-I371 WeakPolarHBondContact CD2-O 3.45Å; Y358-I371 HydrophobicContact CG-CG2 4.39Å
372	V	94.2	Very high	94.7	Very high	69 Å²	69	64.3 Å²	64.3	42%	0.418	37%	0.366	S	S	.	.			trans	-140.4	143.4	179.2	-65.1	0	0	0	0	111.8	Q348	Q348-V372 PolarHBondContact OE1-O 2.63Å
373	P	93.6	Very high	94.7	Very high	16 Å²	16	65 Å²	65	10%	0.104	38%	0.377	C	S	.	.			trans	-71.9	131.6	173.9	29.1	-33.5	0	0	0	111	I338 E342 Y358 G378 K379	I338-P373 HydrophobicContact CD1-CB 4.13Å; E342-P373 HydrophobicContact CG-CB 4.11Å; E342-P373 WeakPolarHBondContact OE1-CA 3.46Å; E342-P373 VanDerWaalsContact OE1-CB 3.27Å; E342-P373 WeakPolarHBondContact OE1-CB 3.31Å; Y358-P373 WeakPolarHBondContact OH-CD 3.28Å; Y358-P373 WeakPolarHBondContact OH-CG 3.25Å; P373-G378 VanDerWaalsContact CB-C 3.43Å; P373-K379 HydrophobicContact CG-CG 4.23Å; P373-K379 WeakPolarHBondContact O-CE 3.17Å
374	T	92.2	Very high	94.7	Very high	92 Å²	92	69.5 Å²	69.5	56%	0.564	40%	0.4	S	S	*	.			trans	-94.9	-31.9	-179.9	60.8	0	0	0	0	111.6	E342 K379	E342-T374 VanDerWaalsContact CD-N 3.34Å; E342-T374 PolarHBondContact OE1-N 3.4Å; E342-T374 PolarHBondContact OE2-N 3.39Å; E342-T374 PolarHBondContact OE2-OG1 3.26Å; T374-K379 WeakPolarHBondContact O-CE 3.32Å; T374-K379 PolarHBondContact O-NZ 3.33Å
375	T	93.8	Very high	94.8	Very high	45 Å²	45	67.4 Å²	67.4	28%	0.276	39%	0.388	S	S	.	.	S	Bend	trans	-75.8	155.2	-178.4	75.2	0	0	0	0	112	E342 I377 G378 K379	E342-T375 WeakPolarHBondContact OE1-CA 3.37Å; E342-T375 VanDerWaalsContact OE1-CB 3.23Å; E342-T375 WeakPolarHBondContact OE1-CB 3.42Å; E342-T375 WeakPolarHBondContact OE1-CG2 3.5Å; E342-T375 PolarHBondContact OE1-N 2.9Å; E342-T375 PolarHBondContact OE1-OG1 3.36Å; E342-T375 PolarHBondContact OE2-N 3.38Å; T375-I377 VanDerWaalsContact C-N 3.3Å; T375-I377 PolarHBondContact O-N 3.27Å; T375-G378 PolarHBondContact O-N 3.08Å; T375-G378 PolarHBondContact OG1-N 3.15Å; T375-K379 VanDerWaalsContact O-CG 3.27Å; T375-K379 WeakPolarHBondContact O-CG 3.41Å; T375-K379 PolarHBondContact O-N 3.5Å
376	I	94	Very high	94.8	Very high	134 Å²	134	65 Å²	65	69%	0.687	38%	0.375	S	S	*	.	H	α-helix	trans	-61.5	-42.9	176.2	-61.3	169.6	0	0	0	110.3	K379 I380	I376-K379 PolarHBondContact O-N 3.13Å; I376-I380 HydrophobicContact CG2-CD1 4.11Å; I376-I380 WeakPolarHBondContact O-CG1 3.41Å; I376-I380 PolarHBondContact O-N 2.93Å
377	I	94.6	Very high	94.8	Very high	112 Å²	112	65.6 Å²	65.6	57%	0.574	38%	0.378	S	S	*	.	H	α-helix	trans	-64	-47.4	179.6	-60.7	173.9	0	0	0	110	A341 T375 K379 I380 V381	A341-I377 HydrophobicContact CB-CB 4.48Å; A341-I377 HydrophobicContact CB-CG2 3.88Å; T375-I377 VanDerWaalsContact C-N 3.3Å; T375-I377 PolarHBondContact O-N 3.27Å; I377-K379 VanDerWaalsContact C-N 3.29Å; I377-K379 PolarHBondContact O-N 3.1Å; I377-I380 PolarHBondContact O-N 2.91Å; I377-I380 VanDerWaalsContact O-N 3.16Å; I377-V381 HydrophobicContact CG2-CG2 4.34Å; I377-V381 WeakPolarHBondContact O-CG2 3.43Å; I377-V381 PolarHBondContact O-N 3.3Å
378	G	94.4	Very high	94.8	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-61.9	-35.8	178.1	0	0	0	0	0	112.9	I338 E342 P373 T375 V381 G382	I338-G378 VanDerWaalsContact CD1-CA 3.47Å; I338-G378 WeakPolarHBondContact CD1-O 3.36Å; E342-G378 WeakPolarHBondContact OE1-CA 3.1Å; P373-G378 VanDerWaalsContact CB-C 3.43Å; T375-G378 PolarHBondContact O-N 3.08Å; T375-G378 PolarHBondContact OG1-N 3.15Å; G378-V381 PolarHBondContact O-N 3.45Å; G378-G382 PolarHBondContact O-N 3.03Å
379	K	95.1	Very high	94.8	Very high	126 Å²	126	57.3 Å²	57.3	55%	0.548	33%	0.333	S	S	.	.	H	α-helix	trans	-64.7	-42.6	172.8	-72.7	170.7	-177.7	174.4	0	112.7	P373 T374 T375 I376 I377 G382 G383	P373-K379 HydrophobicContact CG-CG 4.23Å; P373-K379 WeakPolarHBondContact O-CE 3.17Å; T374-K379 WeakPolarHBondContact O-CE 3.32Å; T374-K379 PolarHBondContact O-NZ 3.33Å; T375-K379 VanDerWaalsContact O-CG 3.27Å; T375-K379 WeakPolarHBondContact O-CG 3.41Å; T375-K379 PolarHBondContact O-N 3.5Å; I376-K379 PolarHBondContact O-N 3.13Å; I377-K379 VanDerWaalsContact C-N 3.29Å; I377-K379 PolarHBondContact O-N 3.1Å; K379-G382 PolarHBondContact O-N 3.12Å; K379-G383 PolarHBondContact O-N 2.97Å
380	I	96.8	Very high	94.8	Very high	102 Å²	102	58.4 Å²	58.4	52%	0.523	33%	0.329	S	S	.	.	H	α-helix	trans	-63.1	-46.6	175.2	-66.7	166.9	0	0	0	110.3	I376 I377 G382 G383 I384	I376-I380 HydrophobicContact CG2-CD1 4.11Å; I376-I380 WeakPolarHBondContact O-CG1 3.41Å; I376-I380 PolarHBondContact O-N 2.93Å; I377-I380 PolarHBondContact O-N 2.91Å; I377-I380 VanDerWaalsContact O-N 3.16Å; I380-G382 VanDerWaalsContact C-N 3.34Å; I380-G382 PolarHBondContact O-N 3.39Å; I380-G383 PolarHBondContact O-N 3.07Å; I380-I384 HydrophobicContact CG2-CD1 4.08Å; I380-I384 WeakPolarHBondContact O-CG1 3.41Å; I380-I384 PolarHBondContact O-N 3.37Å
381	V	95.8	Very high	94.8	Very high	18 Å²	18	59.7 Å²	59.7	11%	0.109	34%	0.335	C	S	.	.	H	α-helix	trans	-61.5	-42.4	177.1	172.9	0	0	0	0	110.9	F334 I337 I338 I377 G378 G383 I384 C385	F334-V381 HydrophobicContact CD1-CG1 4.4Å; I337-V381 HydrophobicContact CB-CG1 4.37Å; I337-V381 HydrophobicContact CG2-CB 4.47Å; I337-V381 HydrophobicContact CG2-CG1 3.81Å; I337-V381 HydrophobicContact CG2-CG2 3.76Å; I338-V381 HydrophobicContact CB-CG1 4.46Å; I338-V381 HydrophobicContact CD1-CB 4.1Å; I338-V381 HydrophobicContact CD1-CG1 4.02Å; I377-V381 HydrophobicContact CG2-CG2 4.34Å; I377-V381 WeakPolarHBondContact O-CG2 3.43Å; I377-V381 PolarHBondContact O-N 3.3Å; G378-V381 PolarHBondContact O-N 3.45Å; V381-G383 VanDerWaalsContact C-N 3.33Å; V381-G383 PolarHBondContact O-N 3.17Å; V381-I384 PolarHBondContact O-N 2.91Å; V381-C385 WeakPolarHBondContact O-CB 3.15Å; V381-C385 PolarHBondContact O-N 3.33Å
382	G	95.3	Very high	94.8	Very high	8 Å²	8	59.7 Å²	59.7	8%	0.082	34%	0.336	C	S	.	.	H	α-helix	trans	-59.7	-42	174	0	0	0	0	0	112.5	G378 K379 I380 C385 S386	G378-G382 PolarHBondContact O-N 3.03Å; K379-G382 PolarHBondContact O-N 3.12Å; I380-G382 VanDerWaalsContact C-N 3.34Å; I380-G382 PolarHBondContact O-N 3.39Å; G382-C385 WeakPolarHBondContact O-CB 3.38Å; G382-C385 PolarHBondContact O-N 2.66Å; G382-S386 PolarHBondContact O-N 2.91Å
383	G	95.2	Very high	94.7	Very high	37 Å²	37	58.9 Å²	58.9	38%	0.381	33%	0.329	S	S	.	.	H	α-helix	trans	-59.5	-50.9	173.3	0	0	0	0	0	112.5	K379 I380 V381 C385 S386 L387	K379-G383 PolarHBondContact O-N 2.97Å; I380-G383 PolarHBondContact O-N 3.07Å; V381-G383 VanDerWaalsContact C-N 3.33Å; V381-G383 PolarHBondContact O-N 3.17Å; G383-C385 VanDerWaalsContact C-N 3.34Å; G383-C385 PolarHBondContact O-N 3.31Å; G383-S386 PolarHBondContact O-N 3.38Å; G383-S386 PolarHBondContact O-OG 3.43Å; G383-L387 PolarHBondContact O-N 3.1Å; G383-L387 VanDerWaalsContact O-N 3.14Å
384	I	96.1	Very high	94.7	Very high	98 Å²	98	60.6 Å²	60.6	50%	0.503	35%	0.345	S	S	.	.	H	α-helix	trans	-62.5	-41.6	177.3	-63.6	169.6	0	0	0	111.1	F334 I380 V381 L387 S388	F334-I384 HydrophobicContact CE1-CG2 4.04Å; F334-I384 HydrophobicContact CZ-CG2 4.31Å; I380-I384 HydrophobicContact CG2-CD1 4.08Å; I380-I384 WeakPolarHBondContact O-CG1 3.41Å; I380-I384 PolarHBondContact O-N 3.37Å; V381-I384 PolarHBondContact O-N 2.91Å; I384-L387 PolarHBondContact O-N 3.17Å; I384-S388 WeakPolarHBondContact O-CB 3.25Å; I384-S388 PolarHBondContact O-N 3.45Å; I384-S388 PolarHBondContact O-OG 3.48Å
385	C	96.3	Very high	94.5	Very high	2 Å²	2	62.7 Å²	62.7	1%	0.014	35%	0.352	C	S	.	.	H	α-helix	trans	-58	-49.3	176.7	177.7	0	0	0	0	111.1	F334 T362 V381 G382 G383 L387 S388 G389	F334-C385 HydrophobicContact CB-CB 4.37Å; F334-C385 HydrophobicContact CD1-CB 3.84Å; F334-C385 HydrophobicContact CD2-CB 4.4Å; F334-C385 HydrophobicContact CE1-CB 4.21Å; F334-C385 HydrophobicContact CG-CB 3.95Å; T362-C385 HydrophobicContact CG2-CB 4.41Å; V381-C385 WeakPolarHBondContact O-CB 3.15Å; V381-C385 PolarHBondContact O-N 3.33Å; G382-C385 WeakPolarHBondContact O-CB 3.38Å; G382-C385 PolarHBondContact O-N 2.66Å; G383-C385 VanDerWaalsContact C-N 3.34Å; G383-C385 PolarHBondContact O-N 3.31Å; C385-L387 PolarHBondContact O-N 3.06Å; C385-S388 PolarHBondContact O-N 2.7Å; C385-S388 PolarHBondContact O-OG 3.45Å; C385-G389 PolarHBondContact O-N 2.98Å
386	S	95.7	Very high	94.2	Very high	47 Å²	47	61.1 Å²	61.1	33%	0.329	34%	0.343	S	S	.	.	H	α-helix	trans	-59.8	-44.9	178.5	72	0	0	0	0	112.4	G382 G383 S388 G389 V390	G382-S386 PolarHBondContact O-N 2.91Å; G383-S386 PolarHBondContact O-N 3.38Å; G383-S386 PolarHBondContact O-OG 3.43Å; S386-S388 PolarHBondContact O-N 3.2Å; S386-G389 PolarHBondContact O-N 3.22Å; S386-V390 WeakPolarHBondContact O-CG2 3.45Å; S386-V390 PolarHBondContact O-N 3.49Å
387	L	95.7	Very high	94.1	Very high	114 Å²	114	57.6 Å²	57.6	60%	0.597	33%	0.327	S	S	*	.	H	α-helix	trans	-64.1	-42.4	177.9	-177.1	63.4	0	0	0	111.5	G383 I384 C385 G389 V390 L391	G383-L387 PolarHBondContact O-N 3.1Å; G383-L387 VanDerWaalsContact O-N 3.14Å; I384-L387 PolarHBondContact O-N 3.17Å; C385-L387 PolarHBondContact O-N 3.06Å; L387-G389 PolarHBondContact O-N 2.87Å; L387-V390 PolarHBondContact O-N 2.85Å; L387-L391 HydrophobicContact CG-CD1 4.41Å; L387-L391 WeakPolarHBondContact O-CG 3.45Å; L387-L391 PolarHBondContact O-N 3.32Å
388	S	95.1	Very high	94	Very high	26 Å²	26	56 Å²	56	18%	0.182	32%	0.324	C	S	.	.	H	α-helix	trans	-64	-39.2	178.1	76.7	0	0	0	0	112.4	F334 I384 C385 S386 L391 V392	F334-S388 WeakPolarHBondContact CE2-OG 3.31Å; F334-S388 VanDerWaalsContact CZ-OG 3.31Å; F334-S388 WeakPolarHBondContact CZ-OG 3.41Å; I384-S388 WeakPolarHBondContact O-CB 3.25Å; I384-S388 PolarHBondContact O-N 3.45Å; I384-S388 PolarHBondContact O-OG 3.48Å; C385-S388 PolarHBondContact O-N 2.7Å; C385-S388 PolarHBondContact O-OG 3.45Å; S386-S388 PolarHBondContact O-N 3.2Å; S388-L391 PolarHBondContact O-N 2.94Å; S388-V392 WeakPolarHBondContact O-CB 3.11Å; S388-V392 VanDerWaalsContact O-CG2 3.26Å; S388-V392 WeakPolarHBondContact O-CG2 3.2Å; S388-V392 PolarHBondContact O-N 2.81Å
389	G	95.3	Very high	93.7	Very high	0 Å²	0	59 Å²	59	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-63.3	-44.2	178.8	0	0	0	0	0	112.7	M363 C385 S386 L387 L391 V392 I393	M363-G389 CarbonylContact O-C 3.38Å; M363-G389 VanDerWaalsContact O-CA 3.29Å; M363-G389 WeakPolarHBondContact O-CA 3.37Å; C385-G389 PolarHBondContact O-N 2.98Å; S386-G389 PolarHBondContact O-N 3.22Å; L387-G389 PolarHBondContact O-N 2.87Å; G389-L391 PolarHBondContact O-N 3.48Å; G389-V392 PolarHBondContact O-N 3.43Å; G389-I393 WeakPolarHBondContact O-CG1 3.05Å; G389-I393 PolarHBondContact O-N 2.87Å
390	V	95.1	Very high	93.4	Very high	74 Å²	74	54.7 Å²	54.7	45%	0.448	33%	0.325	S	S	.	.	H	α-helix	trans	-59	-47	174.4	175.7	0	0	0	0	111	T365 S386 L387 V392 I393 A394	T365-V390 HydrophobicContact CG2-CG2 3.47Å; T365-V390 VanDerWaalsContact CG2-CG2 3.47Å; S386-V390 WeakPolarHBondContact O-CG2 3.45Å; S386-V390 PolarHBondContact O-N 3.49Å; L387-V390 PolarHBondContact O-N 2.85Å; V390-V392 PolarHBondContact O-N 2.85Å; V390-I393 PolarHBondContact O-N 3.3Å; V390-A394 WeakPolarHBondContact O-CB 3.5Å; V390-A394 PolarHBondContact O-N 3.36Å
391	L	94.1	Very high	93.1	Very high	104 Å²	104	54 Å²	54	55%	0.545	33%	0.325	S	S	.	.	H	α-helix	trans	-63	-42.4	178.9	-68.8	171.3	0	0	0	112.2	L387 S388 G389 A394 L395	L387-L391 HydrophobicContact CG-CD1 4.41Å; L387-L391 WeakPolarHBondContact O-CG 3.45Å; L387-L391 PolarHBondContact O-N 3.32Å; S388-L391 PolarHBondContact O-N 2.94Å; G389-L391 PolarHBondContact O-N 3.48Å; L391-A394 PolarHBondContact O-N 2.93Å; L391-L395 WeakPolarHBondContact O-CG 3.36Å; L391-L395 PolarHBondContact O-N 2.95Å
392	V	92.7	Very high	92.9	Very high	30 Å²	30	56.2 Å²	56.2	18%	0.182	34%	0.341	C	S	.	.	H	α-helix	trans	-64.3	-40.4	179.6	167.4	0	0	0	0	111.9	L323 T326 I327 S388 G389 V390 P396	L323-V392 HydrophobicContact CD1-CG1 4.5Å; T326-V392 HydrophobicContact CG2-CB 4.35Å; T326-V392 HydrophobicContact CG2-CG1 3.57Å; T326-V392 HydrophobicContact CG2-CG2 3.83Å; I327-V392 HydrophobicContact CG1-CG1 3.82Å; S388-V392 WeakPolarHBondContact O-CB 3.11Å; S388-V392 VanDerWaalsContact O-CG2 3.26Å; S388-V392 WeakPolarHBondContact O-CG2 3.2Å; S388-V392 PolarHBondContact O-N 2.81Å; G389-V392 PolarHBondContact O-N 3.43Å; V390-V392 PolarHBondContact O-N 2.85Å; V392-P396 WeakPolarHBondContact O-CD 3.29Å
393	I	92.9	Very high	92.5	Very high	51 Å²	51	58 Å²	58	26%	0.262	35%	0.347	S	S	.	.	H	α-helix	trans	-77.5	-37	179.5	-64.9	171.8	0	0	0	111.2	I327 T364 G389 V390 L395 P396 V397	I327-I393 HydrophobicContact CD1-CG1 4.23Å; T364-I393 HydrophobicContact CG2-CD1 4.3Å; G389-I393 WeakPolarHBondContact O-CG1 3.05Å; G389-I393 PolarHBondContact O-N 2.87Å; V390-I393 PolarHBondContact O-N 3.3Å; I393-L395 VanDerWaalsContact C-N 3.29Å; I393-L395 PolarHBondContact O-N 3.32Å; I393-P396 WeakPolarHBondContact O-CD 3.45Å; I393-V397 HydrophobicContact CG2-CG2 3.79Å; I393-V397 WeakPolarHBondContact O-CB 3.35Å; I393-V397 VanDerWaalsContact O-CG2 3.22Å; I393-V397 WeakPolarHBondContact O-CG2 3.03Å; I393-V397 PolarHBondContact O-N 3.37Å
394	A	92.3	Very high	92.1	Very high	53 Å²	53	59.7 Å²	59.7	44%	0.438	34%	0.344	S	S	.	.	H	α-helix	trans	-65.9	-25	-175.2	0	0	0	0	0	114.2	V390 L391 P398	V390-A394 WeakPolarHBondContact O-CB 3.5Å; V390-A394 PolarHBondContact O-N 3.36Å; L391-A394 PolarHBondContact O-N 2.93Å; A394-P398 WeakPolarHBondContact O-CD 3.29Å; A394-P398 VanDerWaalsContact O-CG 3.24Å; A394-P398 WeakPolarHBondContact O-CG 3.27Å
395	L	88.5	Confident	91.8	Very high	136 Å²	136	56.9 Å²	56.9	71%	0.712	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-50.7	-178.7	-62.4	171.5	0	0	0	113.1	L391 I393	L391-L395 WeakPolarHBondContact O-CG 3.36Å; L391-L395 PolarHBondContact O-N 2.95Å; I393-L395 VanDerWaalsContact C-N 3.29Å; I393-L395 PolarHBondContact O-N 3.32Å
396	P	87.9	Confident	91.4	Very high	12 Å²	12	63.1 Å²	63.1	8%	0.078	36%	0.359	C	S	.	.	H	α-helix	trans	-81.7	-28.6	-174.7	-18.4	36.7	0	0	0	113.7	L323 V392 I393 V399 I400	L323-P396 HydrophobicContact CB-CB 4.29Å; L323-P396 HydrophobicContact CB-CG 4.3Å; L323-P396 HydrophobicContact CD1-CB 4.32Å; L323-P396 HydrophobicContact CD1-CG 3.87Å; V392-P396 WeakPolarHBondContact O-CD 3.29Å; I393-P396 WeakPolarHBondContact O-CD 3.45Å; P396-V399 WeakPolarHBondContact O-CB 3.34Å; P396-V399 PolarHBondContact O-N 3.47Å; P396-I400 WeakPolarHBondContact O-CG1 3.35Å; P396-I400 PolarHBondContact O-N 2.98Å
397	V	91	Very high	90.9	Very high	59 Å²	59	61.8 Å²	61.8	36%	0.358	35%	0.348	S	S	.	.	H	α-helix	trans	-61.3	-47.3	-174.9	171.6	0	0	0	0	112.7	I393 V399 I400 V401	I393-V397 HydrophobicContact CG2-CG2 3.79Å; I393-V397 WeakPolarHBondContact O-CB 3.35Å; I393-V397 VanDerWaalsContact O-CG2 3.22Å; I393-V397 WeakPolarHBondContact O-CG2 3.03Å; I393-V397 PolarHBondContact O-N 3.37Å; V397-V399 VanDerWaalsContact C-N 3.27Å; V397-V399 PolarHBondContact O-N 3.12Å; V397-I400 PolarHBondContact O-N 3.14Å; V397-V401 HydrophobicContact CG1-CG2 4.16Å; V397-V401 VanDerWaalsContact O-CG2 3.32Å; V397-V401 WeakPolarHBondContact O-CG2 3.45Å; V397-V401 PolarHBondContact O-N 3.13Å
398	P	91.9	Very high	90.5	Very high	79 Å²	79	61.1 Å²	61.1	51%	0.513	34%	0.338	S	S	.	.	H	α-helix	trans	-59.4	-36.3	175.8	-25.7	35.9	0	0	0	113.2	A394 V401 S402	A394-P398 WeakPolarHBondContact O-CD 3.29Å; A394-P398 VanDerWaalsContact O-CG 3.24Å; A394-P398 WeakPolarHBondContact O-CG 3.27Å; P398-V401 PolarHBondContact O-N 3.42Å; P398-S402 WeakPolarHBondContact O-CB 3.43Å; P398-S402 PolarHBondContact O-N 3.28Å; P398-S402 PolarHBondContact O-OG 2.86Å
399	V	88.8	Confident	90.1	Very high	63 Å²	63	64.8 Å²	64.8	38%	0.382	35%	0.353	S	S	.	.	H	α-helix	trans	-63.1	-49.9	175.6	-178.7	0	0	0	0	109.9	E319 P396 V397 V401 S402 H403	E319-V399 HydrophobicContact CG-CG1 4.49Å; P396-V399 WeakPolarHBondContact O-CB 3.34Å; P396-V399 PolarHBondContact O-N 3.47Å; V397-V399 VanDerWaalsContact C-N 3.27Å; V397-V399 PolarHBondContact O-N 3.12Å; V399-V401 VanDerWaalsContact C-N 3.34Å; V399-V401 PolarHBondContact O-N 3.14Å; V399-S402 PolarHBondContact O-N 3.13Å; V399-S402 PolarHBondContact O-OG 3.25Å; V399-H403 PolarHBondContact O-CD2 3.24Å; V399-H403 PolarHBondContact O-N 3.39Å
400	I	89.2	Confident	89.7	Confident	35 Å²	35	69.7 Å²	69.7	18%	0.179	38%	0.375	C	S	.	.	H	α-helix	trans	-59.6	-44.5	177.6	-64.1	165.9	0	0	0	111.1	C316 E319 P396 V397 S402 H403 F404	C316-I400 HydrophobicContact CB-CG1 4.49Å; E319-I400 HydrophobicContact CB-CG1 4.28Å; P396-I400 WeakPolarHBondContact O-CG1 3.35Å; P396-I400 PolarHBondContact O-N 2.98Å; V397-I400 PolarHBondContact O-N 3.14Å; I400-S402 PolarHBondContact O-N 3.1Å; I400-H403 PolarHBondContact O-N 3.12Å; I400-F404 PolarHBondContact O-N 3.32Å
401	V	91.1	Very high	89.1	Confident	87 Å²	87	69 Å²	69	53%	0.527	37%	0.369	S	S	.	.	H	α-helix	trans	-63.5	-41.7	178.4	171.9	0	0	0	0	111.1	V397 P398 V399 H403 F404 A405	V397-V401 HydrophobicContact CG1-CG2 4.16Å; V397-V401 VanDerWaalsContact O-CG2 3.32Å; V397-V401 WeakPolarHBondContact O-CG2 3.45Å; V397-V401 PolarHBondContact O-N 3.13Å; P398-V401 PolarHBondContact O-N 3.42Å; V399-V401 VanDerWaalsContact C-N 3.34Å; V399-V401 PolarHBondContact O-N 3.14Å; V401-H403 VanDerWaalsContact C-N 3.34Å; V401-H403 PolarHBondContact O-N 2.9Å; V401-F404 PolarHBondContact O-N 2.67Å; V401-A405 WeakPolarHBondContact O-CB 3.28Å; V401-A405 PolarHBondContact O-N 2.83Å
402	S	90.6	Very high	88.8	Confident	65 Å²	65	67.7 Å²	67.7	46%	0.455	36%	0.361	S	S	.	.	H	α-helix	trans	-62.8	-39.9	177.4	76.1	0	0	0	0	112.3	P398 V399 I400 A405 R406	P398-S402 WeakPolarHBondContact O-CB 3.43Å; P398-S402 PolarHBondContact O-N 3.28Å; P398-S402 PolarHBondContact O-OG 2.86Å; V399-S402 PolarHBondContact O-N 3.13Å; V399-S402 PolarHBondContact O-OG 3.25Å; I400-S402 PolarHBondContact O-N 3.1Å; S402-A405 PolarHBondContact O-N 2.88Å; S402-R406 WeakPolarHBondContact O-CB 3.47Å; S402-R406 PolarHBondContact O-N 3.43Å
403	H	87.5	Confident	88.4	Confident	45 Å²	45	73.4 Å²	73.4	21%	0.208	38%	0.379	C	S	.	.	H	α-helix	trans	-65.7	-44.7	174.9	-87	-114	0	0	0	111.8	V399 I400 V401 R406 I407	V399-H403 PolarHBondContact O-CD2 3.24Å; V399-H403 PolarHBondContact O-N 3.39Å; I400-H403 PolarHBondContact O-N 3.12Å; V401-H403 VanDerWaalsContact C-N 3.34Å; V401-H403 PolarHBondContact O-N 2.9Å; H403-R406 PolarHBondContact ND1-NH2 3.44Å; H403-R406 PolarHBondContact O-N 3.02Å; H403-I407 WeakPolarHBondContact O-CG1 3.43Å; H403-I407 PolarHBondContact O-N 3.03Å
404	F	86.3	Confident	87.8	Confident	74 Å²	74	72.8 Å²	72.8	33%	0.325	38%	0.378	S	S	.	.	H	α-helix	trans	-59.9	-46.7	175	-177.8	-92.6	0	0	0	111.6	L309 T312 I400 V401 R406 I407 Y408	L309-F404 HydrophobicContact CD1-CD2 4.34Å; L309-F404 HydrophobicContact CD1-CE2 3.92Å; T312-F404 HydrophobicContact CG2-CB 3.88Å; T312-F404 HydrophobicContact CG2-CD2 3.82Å; T312-F404 HydrophobicContact CG2-CG 4.34Å; I400-F404 PolarHBondContact O-N 3.32Å; V401-F404 PolarHBondContact O-N 2.67Å; F404-R406 VanDerWaalsContact C-N 3.34Å; F404-R406 PolarHBondContact O-N 2.69Å; F404-I407 PolarHBondContact O-N 3.44Å; F404-Y408 WeakPolarHBondContact O-CB 3.37Å; F404-Y408 PolarHBondContact O-N 2.64Å
405	A	89.9	Confident	87.3	Confident	39 Å²	39	73.3 Å²	73.3	32%	0.322	37%	0.373	S	S	.	.	H	α-helix	trans	-59.3	-43.7	177.1	0	0	0	0	0	111.7	V401 S402 Q409	V401-A405 WeakPolarHBondContact O-CB 3.28Å; V401-A405 PolarHBondContact O-N 2.83Å; S402-A405 PolarHBondContact O-N 2.88Å; A405-Q409 VanDerWaalsContact O-CB 3.29Å; A405-Q409 WeakPolarHBondContact O-CB 3.48Å; A405-Q409 WeakPolarHBondContact O-CG 3.23Å; A405-Q409 PolarHBondContact O-N 2.9Å
406	R	87.7	Confident	87	Confident	132 Å²	132	73.3 Å²	73.3	50%	0.498	37%	0.367	S	S	.	.	H	α-helix	trans	-60.8	-52	176.9	-174.5	-179.9	69.8	-170	-0.3	112.1	S402 H403 F404 Y408 Q409 Q410	S402-R406 WeakPolarHBondContact O-CB 3.47Å; S402-R406 PolarHBondContact O-N 3.43Å; H403-R406 PolarHBondContact ND1-NH2 3.44Å; H403-R406 PolarHBondContact O-N 3.02Å; F404-R406 VanDerWaalsContact C-N 3.34Å; F404-R406 PolarHBondContact O-N 2.69Å; R406-Y408 VanDerWaalsContact C-N 3.34Å; R406-Y408 PolarHBondContact O-N 3.47Å; R406-Q409 PolarHBondContact O-N 3.22Å; R406-Q410 WeakPolarHBondContact O-CB 3.42Å; R406-Q410 WeakPolarHBondContact O-CG 3.26Å; R406-Q410 PolarHBondContact O-N 2.95Å
407	I	85.3	Confident	86.5	Confident	19 Å²	19	78 Å²	78	10%	0.097	38%	0.383	C	S	.	.	H	α-helix	trans	-65.9	-39.2	-178.3	-66.4	172.8	0	0	0	110.7	I308 T312 C315 H403 F404 Q410 N411	I308-I407 HydrophobicContact CG2-CG2 4.12Å; T312-I407 HydrophobicContact CG2-CD1 4.16Å; C315-I407 HydrophobicContact CB-CD1 4.23Å; H403-I407 WeakPolarHBondContact O-CG1 3.43Å; H403-I407 PolarHBondContact O-N 3.03Å; F404-I407 PolarHBondContact O-N 3.44Å; I407-Q410 PolarHBondContact O-N 3.42Å; I407-N411 PolarHBondContact O-N 3.44Å; I407-N411 VanDerWaalsContact O-N 3.07Å; I407-N411 PolarHBondContact O-ND2 3.18Å
408	Y	86.8	Confident	85.8	Confident	100 Å²	100	78.5 Å²	78.5	39%	0.392	38%	0.382	S	S	.	.	H	α-helix	trans	-65.6	-44.4	177.1	-175.8	-103.7	0	0	0	111.8	F404 R406 N411 Q412	F404-Y408 WeakPolarHBondContact O-CB 3.37Å; F404-Y408 PolarHBondContact O-N 2.64Å; R406-Y408 VanDerWaalsContact C-N 3.34Å; R406-Y408 PolarHBondContact O-N 3.47Å; Y408-N411 PolarHBondContact O-N 3.39Å; Y408-Q412 HydrophobicContact CE1-CG 4.29Å; Y408-Q412 VanDerWaalsContact CZ-NE2 3.29Å; Y408-Q412 PolarHBondContact O-N 3.31Å; Y408-Q412 PolarHBondContact OH-NE2 2.89Å; Y408-Q412 VanDerWaalsContact OH-NE2 3.12Å
409	Q	88.1	Confident	85.2	Confident	104 Å²	104	77.7 Å²	77.7	49%	0.486	38%	0.382	S	S	.	.	H	α-helix	trans	-66.5	-38	176	-74.6	178.3	0.1	0	0	112.8	A405 R406 Q412 R413	A405-Q409 VanDerWaalsContact O-CB 3.29Å; A405-Q409 WeakPolarHBondContact O-CB 3.48Å; A405-Q409 WeakPolarHBondContact O-CG 3.23Å; A405-Q409 PolarHBondContact O-N 2.9Å; R406-Q409 PolarHBondContact O-N 3.22Å; Q409-Q412 PolarHBondContact O-N 3.27Å; Q409-R413 VanDerWaalsContact O-CG 3.29Å; Q409-R413 WeakPolarHBondContact O-CG 3.05Å; Q409-R413 PolarHBondContact O-N 3.45Å
410	Q	85	Confident	84.8	Confident	102 Å²	102	81 Å²	81	48%	0.477	39%	0.393	S	S	.	.	H	α-helix	trans	-59.8	-49.9	174	-78.9	175.3	-38.2	0	0	110.9	R406 I407 Q412 R413 T414	R406-Q410 WeakPolarHBondContact O-CB 3.42Å; R406-Q410 WeakPolarHBondContact O-CG 3.26Å; R406-Q410 PolarHBondContact O-N 2.95Å; I407-Q410 PolarHBondContact O-N 3.42Å; Q410-Q412 PolarHBondContact O-N 3.01Å; Q410-R413 WeakPolarHBondContact O-CB 3.46Å; Q410-R413 PolarHBondContact O-N 3.4Å; Q410-R413 VanDerWaalsContact O-N 3.1Å; Q410-T414 PolarHBondContact O-N 3.38Å; Q410-T414 PolarHBondContact O-OG1 2.92Å
411	N	84.1	Confident	84.1	Confident	59 Å²	59	83.5 Å²	83.5	32%	0.316	40%	0.403	S	S	.	.	H	α-helix	trans	-60.8	-41	176.8	-76.4	-57	0	0	0	112.6	I308 I407 Y408 R413 T414 D415	I308-N411 HydrophobicContact CD1-CB 3.93Å; I407-N411 PolarHBondContact O-N 3.44Å; I407-N411 VanDerWaalsContact O-N 3.07Å; I407-N411 PolarHBondContact O-ND2 3.18Å; Y408-N411 PolarHBondContact O-N 3.39Å; N411-R413 VanDerWaalsContact C-N 3.33Å; N411-R413 PolarHBondContact O-N 3.32Å; N411-T414 PolarHBondContact O-N 2.85Å; N411-D415 PolarHBondContact O-N 2.87Å
412	Q	86.5	Confident	83.4	Confident	78 Å²	78	84.9 Å²	84.9	36%	0.364	40%	0.402	S	S	.	.	H	α-helix	trans	-62.2	-38.5	174.1	-79.2	-161.5	14.6	0	0	112.9	Y408 Q409 Q410 K416	Y408-Q412 HydrophobicContact CE1-CG 4.29Å; Y408-Q412 VanDerWaalsContact CZ-NE2 3.29Å; Y408-Q412 PolarHBondContact O-N 3.31Å; Y408-Q412 PolarHBondContact OH-NE2 2.89Å; Y408-Q412 VanDerWaalsContact OH-NE2 3.12Å; Q409-Q412 PolarHBondContact O-N 3.27Å; Q410-Q412 PolarHBondContact O-N 3.01Å; Q412-K416 WeakPolarHBondContact O-CB 3.23Å; Q412-K416 VanDerWaalsContact O-CG 3.31Å; Q412-K416 WeakPolarHBondContact O-CG 3.38Å; Q412-K416 PolarHBondContact O-N 3.17Å
413	R	84.6	Confident	82.7	Confident	149 Å²	149	84 Å²	84	56%	0.562	40%	0.398	S	S	*	.	H	α-helix	trans	-66.3	-39.8	176.2	-72.4	172.4	-175.5	-177.3	2.8	110.8	Q409 Q410 N411 K416 R417	Q409-R413 VanDerWaalsContact O-CG 3.29Å; Q409-R413 WeakPolarHBondContact O-CG 3.05Å; Q409-R413 PolarHBondContact O-N 3.45Å; Q410-R413 WeakPolarHBondContact O-CB 3.46Å; Q410-R413 PolarHBondContact O-N 3.4Å; Q410-R413 VanDerWaalsContact O-N 3.1Å; N411-R413 VanDerWaalsContact C-N 3.33Å; N411-R413 PolarHBondContact O-N 3.32Å; R413-K416 PolarHBondContact O-N 2.86Å; R413-R417 WeakPolarHBondContact O-CB 3.38Å; R413-R417 WeakPolarHBondContact O-CG 3.37Å; R413-R417 PolarHBondContact O-N 3.36Å
414	T	80.4	Confident	82.2	Confident	39 Å²	39	90.5 Å²	90.5	24%	0.239	42%	0.421	C	S	.	.	H	α-helix	trans	-63.4	-50.5	174.6	-55.3	0	0	0	0	111.3	Q410 N411 K416 R417 E418	Q410-T414 PolarHBondContact O-N 3.38Å; Q410-T414 PolarHBondContact O-OG1 2.92Å; N411-T414 PolarHBondContact O-N 2.85Å; T414-K416 VanDerWaalsContact C-N 3.29Å; T414-K416 PolarHBondContact O-N 3.5Å; T414-R417 WeakPolarHBondContact O-CB 3.26Å; T414-R417 PolarHBondContact O-N 3.19Å; T414-R417 VanDerWaalsContact O-N 3.08Å; T414-E418 HydrophobicContact CG2-CG 4.5Å; T414-E418 WeakPolarHBondContact O-CG 3.47Å; T414-E418 PolarHBondContact O-N 3.33Å
415	D	81.4	Confident	81.7	Confident	64 Å²	64	91.5 Å²	91.5	34%	0.342	43%	0.429	S	S	.	.	H	α-helix	trans	-56.7	-41.5	176.5	-79.3	-39	0	0	0	111.5	K304 N411 A419	K304-D415 IonicContact NZ-OD1 3.39Å; K304-D415 PolarHBondContact NZ-OD1 3.44Å; K304-D415 IonicContact NZ-OD2 2.78Å; N411-D415 PolarHBondContact O-N 2.87Å; D415-A419 WeakPolarHBondContact O-CB 2.96Å; D415-A419 PolarHBondContact O-N 3.21Å
416	K	83	Confident	80.8	Confident	136 Å²	136	92.6 Å²	92.6	59%	0.591	43%	0.434	S	S	*	.	H	α-helix	trans	-65.1	-44.1	175.3	-76.2	179.9	-180	-174.3	0	112.4	Q412 R413 T414 A419 Q420	Q412-K416 WeakPolarHBondContact O-CB 3.23Å; Q412-K416 VanDerWaalsContact O-CG 3.31Å; Q412-K416 WeakPolarHBondContact O-CG 3.38Å; Q412-K416 PolarHBondContact O-N 3.17Å; R413-K416 PolarHBondContact O-N 2.86Å; T414-K416 VanDerWaalsContact C-N 3.29Å; T414-K416 PolarHBondContact O-N 3.5Å; K416-A419 PolarHBondContact O-N 3.11Å; K416-Q420 WeakPolarHBondContact O-CB 3.22Å; K416-Q420 WeakPolarHBondContact O-CG 3.4Å; K416-Q420 PolarHBondContact O-N 2.94Å
417	R	77.7	Confident	80.1	Confident	109 Å²	109	91.2 Å²	91.2	41%	0.411	43%	0.429	S	S	.	.	H	α-helix	trans	-62.6	-43	177.4	-75.5	168.7	176.9	-173.4	-2.7	111	E141 R413 T414 Q420 K421	E141-R417 IonicContact OE1-CZ 2.83Å; E141-R417 IonicContact OE1-NH1 2.7Å; E141-R417 PolarHBondContact OE1-NH1 2.86Å; E141-R417 IonicContact OE1-NH2 3.61Å; E141-R417 PolarHBondContact OE1-NH2 3.21Å; R413-R417 WeakPolarHBondContact O-CB 3.38Å; R413-R417 WeakPolarHBondContact O-CG 3.37Å; R413-R417 PolarHBondContact O-N 3.36Å; T414-R417 WeakPolarHBondContact O-CB 3.26Å; T414-R417 PolarHBondContact O-N 3.19Å; T414-R417 VanDerWaalsContact O-N 3.08Å; R417-Q420 PolarHBondContact O-N 3.17Å; R417-K421 WeakPolarHBondContact O-CB 3.03Å; R417-K421 PolarHBondContact O-N 3.06Å
418	E	77	Confident	79.6	Confident	71 Å²	71	93.5 Å²	93.5	33%	0.332	44%	0.441	S	S	.	.	H	α-helix	trans	-62.3	-44.3	175.5	-74.4	178.2	-162.4	0	0	112	T414 K421 K422	T414-E418 HydrophobicContact CG2-CG 4.5Å; T414-E418 WeakPolarHBondContact O-CG 3.47Å; T414-E418 PolarHBondContact O-N 3.33Å; E418-K421 PolarHBondContact O-N 3.29Å; E418-K422 WeakPolarHBondContact O-CB 3.49Å; E418-K422 WeakPolarHBondContact O-CG 3.12Å; E418-K422 PolarHBondContact O-N 2.95Å
419	A	78.1	Confident	79	Confident	62 Å²	62	92.8 Å²	92.8	51%	0.512	45%	0.447	S	S	.	.	H	α-helix	trans	-61.8	-44.7	176.2	0	0	0	0	0	111.8	D415 K416 K422 A423	D415-A419 WeakPolarHBondContact O-CB 2.96Å; D415-A419 PolarHBondContact O-N 3.21Å; K416-A419 PolarHBondContact O-N 3.11Å; A419-K422 PolarHBondContact O-N 2.63Å; A419-A423 WeakPolarHBondContact O-CB 3.47Å; A419-A423 PolarHBondContact O-N 3.45Å
420	Q	80.2	Confident	78.2	Confident	132 Å²	132	93.3 Å²	93.3	62%	0.617	45%	0.45	S	S	*	.	H	α-helix	trans	-63.3	-41.5	175.1	-74.7	178.1	-26.7	0	0	112.2	K416 R417 A423 R424	K416-Q420 WeakPolarHBondContact O-CB 3.22Å; K416-Q420 WeakPolarHBondContact O-CG 3.4Å; K416-Q420 PolarHBondContact O-N 2.94Å; R417-Q420 PolarHBondContact O-N 3.17Å; Q420-A423 PolarHBondContact O-N 3.05Å; Q420-R424 VanDerWaalsContact O-CB 3.3Å; Q420-R424 WeakPolarHBondContact O-CB 3.3Å; Q420-R424 PolarHBondContact O-N 3.15Å
421	K	75.3	Confident	77.5	Confident	87 Å²	87	91 Å²	91	38%	0.378	44%	0.44	S	S	.	.	H	α-helix	trans	-63.3	-45.7	176.8	-178	178.6	172.3	178.8	0	111.6	E149 R417 E418 R424 L425	E149-K421 WeakPolarHBondContact OE1-CE 3.36Å; E149-K421 IonicContact OE1-NZ 3.7Å; E149-K421 PolarHBondContact OE1-NZ 3.19Å; R417-K421 WeakPolarHBondContact O-CB 3.03Å; R417-K421 PolarHBondContact O-N 3.06Å; E418-K421 PolarHBondContact O-N 3.29Å; K421-R424 PolarHBondContact O-N 3.24Å; K421-L425 WeakPolarHBondContact O-CB 3.37Å; K421-L425 PolarHBondContact O-N 2.87Å
422	K	75	Confident	76.8	Confident	117 Å²	117	94.9 Å²	94.9	51%	0.509	45%	0.454	S	S	.	.	H	α-helix	trans	-61.5	-44.3	176.2	-74.7	175.8	178.6	172.3	0	111.5	E418 A419 L425 S426	E418-K422 WeakPolarHBondContact O-CB 3.49Å; E418-K422 WeakPolarHBondContact O-CG 3.12Å; E418-K422 PolarHBondContact O-N 2.95Å; A419-K422 PolarHBondContact O-N 2.63Å; K422-L425 PolarHBondContact O-N 2.75Å; K422-S426 PolarHBondContact O-N 3.45Å
423	A	77.1	Confident	76.1	Confident	47 Å²	47	93.3 Å²	93.3	39%	0.388	45%	0.454	S	S	.	.	H	α-helix	trans	-61.2	-46.8	175.1	0	0	0	0	0	111.9	A419 Q420 L425 S426 R427	A419-A423 WeakPolarHBondContact O-CB 3.47Å; A419-A423 PolarHBondContact O-N 3.45Å; Q420-A423 PolarHBondContact O-N 3.05Å; A423-L425 PolarHBondContact O-N 3.07Å; A423-S426 PolarHBondContact O-N 3.36Å; A423-R427 WeakPolarHBondContact O-CG 3.21Å; A423-R427 PolarHBondContact O-N 3.45Å
424	R	76.5	Confident	75.4	Confident	180 Å²	180	91 Å²	91	68%	0.679	46%	0.456	S	S	*	.	H	α-helix	trans	-61.9	-40.9	176.5	-174.5	178.9	179.5	-173.3	0.5	112.1	Q420 K421 R427 L428	Q420-R424 VanDerWaalsContact O-CB 3.3Å; Q420-R424 WeakPolarHBondContact O-CB 3.3Å; Q420-R424 PolarHBondContact O-N 3.15Å; K421-R424 PolarHBondContact O-N 3.24Å; R424-R427 PolarHBondContact O-N 2.69Å; R424-L428 HydrophobicContact CG-CD1 4.19Å; R424-L428 HydrophobicContact CG-CG 4.46Å; R424-L428 WeakPolarHBondContact O-CB 3.31Å; R424-L428 WeakPolarHBondContact O-CG 3.18Å; R424-L428 PolarHBondContact O-N 3.25Å
425	L	76.2	Confident	74.5	Confident	96 Å²	96	91.3 Å²	91.3	50%	0.503	46%	0.463	S	S	.	.	H	α-helix	trans	-67.1	-38.9	178.8	-171.4	65.6	0	0	0	111.8	K421 K422 A423 L428 T429	K421-L425 WeakPolarHBondContact O-CB 3.37Å; K421-L425 PolarHBondContact O-N 2.87Å; K422-L425 PolarHBondContact O-N 2.75Å; A423-L425 PolarHBondContact O-N 3.07Å; L425-L428 PolarHBondContact O-N 3.33Å; L425-T429 WeakPolarHBondContact O-CB 3.34Å; L425-T429 PolarHBondContact O-N 3.08Å; L425-T429 PolarHBondContact O-OG1 3.11Å
426	S	71.5	Confident	73.9	Confident	61 Å²	61	94.7 Å²	94.7	43%	0.427	48%	0.476	S	S	.	.	H	α-helix	trans	-59.4	-50.2	172.6	-163.9	0	0	0	0	110.7	K422 A423 L428 T429 E430	K422-S426 PolarHBondContact O-N 3.45Å; A423-S426 PolarHBondContact O-N 3.36Å; S426-L428 PolarHBondContact O-N 3.43Å; S426-T429 PolarHBondContact O-N 3.3Å; S426-T429 VanDerWaalsContact O-N 3.11Å; S426-E430 WeakPolarHBondContact O-CG 3.42Å; S426-E430 PolarHBondContact O-N 3.28Å; S426-E430 PolarHBondContact OG-OE1 3.16Å
427	R	73.4	Confident	73.1	Confident	103 Å²	103	93.3 Å²	93.3	39%	0.389	48%	0.476	S	S	.	.	H	α-helix	trans	-57.8	-47.9	177	-68.5	-175.6	-166.8	174.8	8.7	112	A423 R424 T429 E430 M431 D532	A423-R427 WeakPolarHBondContact O-CG 3.21Å; A423-R427 PolarHBondContact O-N 3.45Å; R424-R427 PolarHBondContact O-N 2.69Å; R427-T429 VanDerWaalsContact C-N 3.28Å; R427-T429 PolarHBondContact O-N 3.15Å; R427-E430 PolarHBondContact O-N 3.47Å; R427-M431 WeakPolarHBondContact O-CB 3.42Å; R427-M431 WeakPolarHBondContact O-CG 3.45Å; R427-M431 PolarHBondContact O-N 3.16Å; R427-D532 IonicContact CZ-OD2 3.68Å; R427-D532 IonicContact NH1-OD1 2.69Å; R427-D532 IonicContact NH1-OD2 2.64Å; R427-D532 PolarHBondContact NH1-OD2 3.44Å
428	L	73.4	Confident	72.4	Confident	68 Å²	68	89.3 Å²	89.3	36%	0.356	47%	0.466	S	S	.	.	H	α-helix	trans	-61.3	-35.4	177.1	-74.7	173.2	0	0	0	112.6	R424 L425 S426 K432	R424-L428 HydrophobicContact CG-CD1 4.19Å; R424-L428 HydrophobicContact CG-CG 4.46Å; R424-L428 WeakPolarHBondContact O-CB 3.31Å; R424-L428 WeakPolarHBondContact O-CG 3.18Å; R424-L428 PolarHBondContact O-N 3.25Å; L425-L428 PolarHBondContact O-N 3.33Å; S426-L428 PolarHBondContact O-N 3.43Å; L428-K432 WeakPolarHBondContact O-CB 3.26Å; L428-K432 VanDerWaalsContact O-CG 3.28Å; L428-K432 WeakPolarHBondContact O-CG 3.38Å; L428-K432 PolarHBondContact O-N 2.94Å
429	T	73.7	Confident	71.7	Confident	84 Å²	84	90.1 Å²	90.1	52%	0.515	47%	0.469	S	S	.	.	H	α-helix	trans	-71	-43.6	178.6	-55.3	0	0	0	0	110.9	L425 S426 R427 K432 A433	L425-T429 WeakPolarHBondContact O-CB 3.34Å; L425-T429 PolarHBondContact O-N 3.08Å; L425-T429 PolarHBondContact O-OG1 3.11Å; S426-T429 PolarHBondContact O-N 3.3Å; S426-T429 VanDerWaalsContact O-N 3.11Å; R427-T429 VanDerWaalsContact C-N 3.28Å; R427-T429 PolarHBondContact O-N 3.15Å; T429-K432 PolarHBondContact O-N 3.23Å; T429-A433 PolarHBondContact O-N 3.18Å
430	E	72.7	Confident	70.9	Confident	116 Å²	116	89.5 Å²	89.5	54%	0.542	46%	0.46	S	S	.	.	H	α-helix	trans	-60.7	-46.7	173.2	-70.3	163	-147.4	0	0	111.1	S426 R427 K432 A433 V434	S426-E430 WeakPolarHBondContact O-CG 3.42Å; S426-E430 PolarHBondContact O-N 3.28Å; S426-E430 PolarHBondContact OG-OE1 3.16Å; R427-E430 PolarHBondContact O-N 3.47Å; E430-K432 PolarHBondContact O-N 2.93Å; E430-A433 PolarHBondContact O-N 2.95Å; E430-V434 WeakPolarHBondContact O-CG2 3.48Å; E430-V434 PolarHBondContact O-N 3.4Å
431	M	69.5	Low	70.2	Confident	54 Å²	54	87 Å²	87	27%	0.266	45%	0.449	S	S	.	.	H	α-helix	trans	-63.6	-40.8	177.6	-71.2	177.2	73.4	0	0	112.6	R427 V434 A435 E535 Y539	R427-M431 WeakPolarHBondContact O-CB 3.42Å; R427-M431 WeakPolarHBondContact O-CG 3.45Å; R427-M431 PolarHBondContact O-N 3.16Å; M431-V434 PolarHBondContact O-N 2.86Å; M431-A435 WeakPolarHBondContact O-CB 3.45Å; M431-A435 PolarHBondContact O-N 2.93Å; M431-E535 HydrophobicContact CE-CB 4.33Å; M431-E535 HydrophobicContact CE-CG 3.83Å; M431-Y539 HydrophobicContact CE-CD2 4.03Å; M431-Y539 HydrophobicContact CE-CE2 3.87Å
432	K	69.9	Low	69.4	Low	140 Å²	140	83.9 Å²	83.9	61%	0.609	44%	0.441	S	S	*	.	H	α-helix	trans	-61.3	-43.7	173.3	-81.6	178.6	-178.9	-179.1	0	111.6	L428 T429 E430 V434 A435 E436	L428-K432 WeakPolarHBondContact O-CB 3.26Å; L428-K432 VanDerWaalsContact O-CG 3.28Å; L428-K432 WeakPolarHBondContact O-CG 3.38Å; L428-K432 PolarHBondContact O-N 2.94Å; T429-K432 PolarHBondContact O-N 3.23Å; E430-K432 PolarHBondContact O-N 2.93Å; K432-V434 VanDerWaalsContact C-N 3.33Å; K432-V434 PolarHBondContact O-N 3.4Å; K432-A435 PolarHBondContact O-N 3.09Å; K432-E436 WeakPolarHBondContact O-CB 3.27Å; K432-E436 WeakPolarHBondContact O-CG 3.41Å; K432-E436 PolarHBondContact O-N 3.35Å
433	A	70.6	Confident	68.9	Low	45 Å²	45	84.9 Å²	84.9	37%	0.372	44%	0.441	S	S	.	.	H	α-helix	trans	-61.9	-41	177	0	0	0	0	0	111.9	T429 E430 N437	T429-A433 PolarHBondContact O-N 3.18Å; E430-A433 PolarHBondContact O-N 2.95Å; A433-N437 WeakPolarHBondContact O-CB 3.41Å; A433-N437 PolarHBondContact O-N 3.36Å; A433-N437 PolarHBondContact O-ND2 2.93Å
434	V	70.5	Confident	68.3	Low	100 Å²	100	87.8 Å²	87.8	61%	0.606	45%	0.445	S	S	*	.	H	α-helix	trans	-63.5	-46.9	173.9	174.2	0	0	0	0	111.2	E430 M431 K432 N437 A438	E430-V434 WeakPolarHBondContact O-CG2 3.48Å; E430-V434 PolarHBondContact O-N 3.4Å; M431-V434 PolarHBondContact O-N 2.86Å; K432-V434 VanDerWaalsContact C-N 3.33Å; K432-V434 PolarHBondContact O-N 3.4Å; V434-N437 PolarHBondContact O-N 2.01Å; V434-A438 WeakPolarHBondContact O-CB 3.3Å; V434-A438 PolarHBondContact O-N 3.02Å
435	A	62.1	Low	67.5	Low	45 Å²	45	82.3 Å²	82.3	37%	0.372	43%	0.425	S	S	.	.	H	α-helix	trans	-64.5	-40.5	179.2	0	0	0	0	0	112.8	M431 K432 A438 F439	M431-A435 WeakPolarHBondContact O-CB 3.45Å; M431-A435 PolarHBondContact O-N 2.93Å; K432-A435 PolarHBondContact O-N 3.09Å; A435-A438 PolarHBondContact O-N 2.82Å; A435-F439 VanDerWaalsContact O-CB 3.28Å; A435-F439 WeakPolarHBondContact O-CB 3.31Å; A435-F439 PolarHBondContact O-N 3.36Å
436	E	67.7	Low	66.7	Low	135 Å²	135	84.1 Å²	84.1	63%	0.631	43%	0.425	S	S	*	.	H	α-helix	trans	-64.8	-42	175.3	-76	-177.3	171.8	0	0	111.7	K432 F439 S440	K432-E436 WeakPolarHBondContact O-CB 3.27Å; K432-E436 WeakPolarHBondContact O-CG 3.41Å; K432-E436 PolarHBondContact O-N 3.35Å; E436-F439 PolarHBondContact O-N 2.87Å; E436-S440 WeakPolarHBondContact O-CB 3.28Å; E436-S440 PolarHBondContact O-N 2.65Å
437	N	67.8	Low	66.3	Low	107 Å²	107	89.1 Å²	89.1	57%	0.572	44%	0.435	S	S	*	.	H	α-helix	trans	-62.3	-48.2	174.7	-75.5	-25.7	0	0	0	111.2	A433 V434 F439 S440 E441	A433-N437 WeakPolarHBondContact O-CB 3.41Å; A433-N437 PolarHBondContact O-N 3.36Å; A433-N437 PolarHBondContact O-ND2 2.93Å; V434-N437 PolarHBondContact O-N 2.01Å; N437-F439 PolarHBondContact O-N 2.86Å; N437-S440 PolarHBondContact O-N 2.71Å; N437-S440 PolarHBondContact O-OG 3.24Å; N437-E441 PolarHBondContact O-N 3.32Å
438	A	62.3	Low	65.9	Low	25 Å²	25	86.5 Å²	86.5	21%	0.207	43%	0.429	C	S	.	.	H	α-helix	trans	-59.7	-45.8	176.7	0	0	0	0	0	112	V434 A435 S440 E441 G442	V434-A438 WeakPolarHBondContact O-CB 3.3Å; V434-A438 PolarHBondContact O-N 3.02Å; A435-A438 PolarHBondContact O-N 2.82Å; A438-S440 VanDerWaalsContact C-N 3.35Å; A438-S440 PolarHBondContact O-N 3.29Å; A438-E441 PolarHBondContact O-N 3.48Å; A438-G442 PolarHBondContact O-N 2.94Å
439	F	61.3	Low	65.4	Low	89 Å²	89	86.5 Å²	86.5	39%	0.39	42%	0.424	S	S	.	.	H	α-helix	trans	-62.3	-40.3	176.4	-175.3	-99.9	0	0	0	112.1	A435 E436 N437 G442 R443	A435-F439 VanDerWaalsContact O-CB 3.28Å; A435-F439 WeakPolarHBondContact O-CB 3.31Å; A435-F439 PolarHBondContact O-N 3.36Å; E436-F439 PolarHBondContact O-N 2.87Å; N437-F439 PolarHBondContact O-N 2.86Å; F439-G442 PolarHBondContact O-N 3.43Å; F439-R443 WeakPolarHBondContact O-CB 3.33Å; F439-R443 PolarHBondContact O-N 2.97Å
440	S	63.3	Low	65	Low	48 Å²	48	88 Å²	88	34%	0.336	42%	0.423	S	S	.	.	H	α-helix	trans	-64.7	-40.9	177.5	84.4	0	0	0	0	112.3	E436 N437 A438 R443 K444	E436-S440 WeakPolarHBondContact O-CB 3.28Å; E436-S440 PolarHBondContact O-N 2.65Å; N437-S440 PolarHBondContact O-N 2.71Å; N437-S440 PolarHBondContact O-OG 3.24Å; A438-S440 VanDerWaalsContact C-N 3.35Å; A438-S440 PolarHBondContact O-N 3.29Å; S440-R443 PolarHBondContact O-N 3.38Å; S440-K444 WeakPolarHBondContact O-CG 3.34Å; S440-K444 PolarHBondContact O-N 3.12Å; S440-K444 VanDerWaalsContact O-N 3.08Å
441	E	64.3	Low	64.6	Low	81 Å²	81	85.5 Å²	85.5	38%	0.379	41%	0.414	S	S	.	.	H	α-helix	trans	-68.5	-42.3	175.8	-75.3	-59	128.8	0	0	111.4	N437 A438 R443 K444 R445	N437-E441 PolarHBondContact O-N 3.32Å; A438-E441 PolarHBondContact O-N 3.48Å; E441-R443 VanDerWaalsContact C-N 3.32Å; E441-R443 PolarHBondContact O-N 3.43Å; E441-K444 WeakPolarHBondContact O-CB 2.91Å; E441-K444 PolarHBondContact O-N 3.23Å; E441-K444 IonicContact OE1-NZ 2.77Å; E441-K444 PolarHBondContact OE1-NZ 2.88Å; E441-R445 WeakPolarHBondContact O-CG 3.45Å; E441-R445 PolarHBondContact O-N 3.31Å
442	G	59.3	Low	64.4	Low	20 Å²	20	83.9 Å²	83.9	21%	0.206	41%	0.406	C	S	.	.	H	α-helix	trans	-56.7	-43.6	172.9	0	0	0	0	0	112.5	A438 F439 R445 Y446	A438-G442 PolarHBondContact O-N 2.94Å; F439-G442 PolarHBondContact O-N 3.43Å; G442-R445 PolarHBondContact O-N 3.31Å; G442-Y446 PolarHBondContact O-N 3.47Å
443	R	64.9	Low	64.2	Low	139 Å²	139	81 Å²	81	53%	0.525	39%	0.394	S	S	.	.	H	α-helix	trans	-65.6	-38.9	176.1	-173.6	179.2	-90.1	177.6	-6.4	112.6	F439 S440 E441 R447	F439-R443 WeakPolarHBondContact O-CB 3.33Å; F439-R443 PolarHBondContact O-N 2.97Å; S440-R443 PolarHBondContact O-N 3.38Å; E441-R443 VanDerWaalsContact C-N 3.32Å; E441-R443 PolarHBondContact O-N 3.43Å; R443-R447 PolarHBondContact O-N 2.99Å; R443-R447 VanDerWaalsContact O-N 3.13Å
444	K	63.5	Low	63.8	Low	107 Å²	107	84.2 Å²	84.2	47%	0.465	40%	0.401	S	S	.	.	H	α-helix	trans	-62.8	-45.8	172.9	-71.1	175.5	-168.7	168.5	0	111	S440 E441 Y446 R447 N448	S440-K444 WeakPolarHBondContact O-CG 3.34Å; S440-K444 PolarHBondContact O-N 3.12Å; S440-K444 VanDerWaalsContact O-N 3.08Å; E441-K444 WeakPolarHBondContact O-CB 2.91Å; E441-K444 PolarHBondContact O-N 3.23Å; E441-K444 IonicContact OE1-NZ 2.77Å; E441-K444 PolarHBondContact OE1-NZ 2.88Å; K444-Y446 PolarHBondContact O-N 2.92Å; K444-R447 PolarHBondContact O-N 3.3Å; K444-N448 PolarHBondContact O-N 3.43Å
445	R	60.2	Low	63.3	Low	66 Å²	66	80.9 Å²	80.9	25%	0.249	38%	0.381	C	S	.	.	H	α-helix	trans	-61.7	-44	178.3	-70.6	-179.9	-171.1	-175	9.5	112.3	E441 G442 R447 N448 R449 Y487 Q494	E441-R445 WeakPolarHBondContact O-CG 3.45Å; E441-R445 PolarHBondContact O-N 3.31Å; G442-R445 PolarHBondContact O-N 3.31Å; R445-R447 VanDerWaalsContact C-N 3.35Å; R445-R447 PolarHBondContact O-N 2.86Å; R445-N448 PolarHBondContact O-N 3.29Å; R445-R449 WeakPolarHBondContact O-CB 3.34Å; R445-R449 PolarHBondContact O-N 2.96Å; R445-Y487 HydrophobicContact CB-CE2 4.3Å; R445-Y487 HydrophobicContact CG-CE2 4.34Å; R445-Y487 PolarHBondContact O-OH 3.1Å; R445-Q494 VanDerWaalsContact NH1-NE2 3.17Å
446	Y	59.9	Low	63.3	Low	133 Å²	133	81 Å²	81	52%	0.522	38%	0.376	S	S	.	.	H	α-helix	trans	-60.9	-43.4	175.8	177.6	-102.9	0	0	0	112	G442 K444 R449 K450	G442-Y446 PolarHBondContact O-N 3.47Å; K444-Y446 PolarHBondContact O-N 2.92Å; Y446-R449 PolarHBondContact O-N 3.03Å; Y446-K450 PolarHBondContact O-N 2.88Å
447	R	62.3	Low	62.9	Low	167 Å²	167	79.2 Å²	79.2	63%	0.63	37%	0.374	S	S	*	.	H	α-helix	trans	-61.4	-46.7	176.1	-169.1	-175.2	-62.9	166.5	-0.6	111.7	R443 K444 R445 R449 K450 L451	R443-R447 PolarHBondContact O-N 2.99Å; R443-R447 VanDerWaalsContact O-N 3.13Å; K444-R447 PolarHBondContact O-N 3.3Å; R445-R447 VanDerWaalsContact C-N 3.35Å; R445-R447 PolarHBondContact O-N 2.86Å; R447-R449 VanDerWaalsContact C-N 3.33Å; R447-R449 PolarHBondContact O-N 2.86Å; R447-K450 PolarHBondContact O-N 3.26Å; R447-L451 PolarHBondContact O-N 2.86Å
448	N	64.5	Low	62.4	Low	48 Å²	48	76.6 Å²	76.6	26%	0.257	36%	0.359	S	S	.	.	H	α-helix	trans	-63.7	-38.7	177.7	-70.5	-7.5	0	0	0	111.7	K444 R445 L451 L452 Y487	K444-N448 PolarHBondContact O-N 3.43Å; R445-N448 PolarHBondContact O-N 3.29Å; N448-L451 PolarHBondContact O-N 3.09Å; N448-L452 WeakPolarHBondContact O-CB 3.47Å; N448-L452 PolarHBondContact O-N 3.38Å; N448-Y487 HydrophobicContact CB-CD2 3.8Å; N448-Y487 HydrophobicContact CB-CE2 3.83Å; N448-Y487 HydrophobicContact CB-CG 4.31Å
449	R	63	Low	62.1	Low	68 Å²	68	80 Å²	80	26%	0.257	37%	0.373	S	S	.	.	H	α-helix	trans	-63	-46.6	175.7	-160.6	-176.3	-147.6	-177.4	12.1	112.2	R445 Y446 R447 L451 L452 E453 E491	R445-R449 WeakPolarHBondContact O-CB 3.34Å; R445-R449 PolarHBondContact O-N 2.96Å; Y446-R449 PolarHBondContact O-N 3.03Å; R447-R449 VanDerWaalsContact C-N 3.33Å; R447-R449 PolarHBondContact O-N 2.86Å; R449-L451 VanDerWaalsContact C-N 3.28Å; R449-L451 PolarHBondContact O-N 3.17Å; R449-L452 WeakPolarHBondContact O-CB 3.42Å; R449-L452 PolarHBondContact O-N 3.49Å; R449-E453 PolarHBondContact O-N 3.42Å; R449-E491 IonicContact NH2-OE1 2.84Å
450	K	65.7	Low	61.8	Low	114 Å²	114	81.7 Å²	81.7	50%	0.496	39%	0.386	S	S	.	.	H	α-helix	trans	-62.8	-37.9	177.7	-166.7	174.5	-179.2	178.9	0	111.2	Y446 R447 E453 H454	Y446-K450 PolarHBondContact O-N 2.88Å; R447-K450 PolarHBondContact O-N 3.26Å; K450-E453 PolarHBondContact O-N 2.98Å; K450-H454 PolarHBondContact O-CD2 3.44Å; K450-H454 PolarHBondContact O-N 3.49Å
451	L	65.2	Low	61.4	Low	65 Å²	65	86.1 Å²	86.1	34%	0.34	40%	0.399	S	S	.	.	H	α-helix	trans	-65.1	-43.6	174.3	-163.9	67.1	0	0	0	111.7	R447 N448 R449 E453 H454 V455 L484	R447-L451 PolarHBondContact O-N 2.86Å; N448-L451 PolarHBondContact O-N 3.09Å; R449-L451 VanDerWaalsContact C-N 3.28Å; R449-L451 PolarHBondContact O-N 3.17Å; L451-E453 VanDerWaalsContact C-N 3.35Å; L451-E453 PolarHBondContact O-N 2.95Å; L451-H454 WeakPolarHBondContact O-CB 3.12Å; L451-H454 PolarHBondContact O-N 3.49Å; L451-V455 WeakPolarHBondContact O-CG2 3.45Å; L451-V455 PolarHBondContact O-N 3.43Å; L451-L484 HydrophobicContact CB-CD2 4.29Å; L451-L484 HydrophobicContact CD2-CD1 3.99Å; L451-L484 HydrophobicContact CD2-CD2 4.05Å; L451-L484 HydrophobicContact CD2-CG 4.39Å; L451-L484 HydrophobicContact CG-CD1 4.33Å; L451-L484 HydrophobicContact CG-CD2 4.32Å
452	L	64.5	Low	60.6	Low	19 Å²	19	89.6 Å²	89.6	10%	0.099	42%	0.42	C	S	.	.	H	α-helix	trans	-61.5	-38.4	174.2	-101.5	137.5	0	0	0	113.1	N448 R449 H454 V455 D456 L484 Y487 K488	N448-L452 WeakPolarHBondContact O-CB 3.47Å; N448-L452 PolarHBondContact O-N 3.38Å; R449-L452 WeakPolarHBondContact O-CB 3.42Å; R449-L452 PolarHBondContact O-N 3.49Å; L452-H454 VanDerWaalsContact C-N 3.32Å; L452-H454 PolarHBondContact O-N 3.41Å; L452-V455 PolarHBondContact O-N 3.48Å; L452-D456 WeakPolarHBondContact O-CB 3.44Å; L452-D456 PolarHBondContact O-N 3.43Å; L452-L484 HydrophobicContact CD1-CD2 3.69Å; L452-L484 HydrophobicContact CG-CD2 3.72Å; L452-Y487 HydrophobicContact CD1-CD1 3.08Å; L452-Y487 HydrophobicContact CD1-CE1 3.58Å; L452-Y487 HydrophobicContact CD1-CG 3.86Å; L452-K488 HydrophobicContact CD2-CD 4.38Å
453	E	64.5	Low	60.1	Low	79 Å²	79	92.8 Å²	92.8	37%	0.369	43%	0.433	S	S	.	.	H	α-helix	trans	-65.8	-35.4	175.5	-72.8	-173.9	161.1	0	0	112	R449 K450 L451 V457 R607	R449-E453 PolarHBondContact O-N 3.42Å; K450-E453 PolarHBondContact O-N 2.98Å; L451-E453 VanDerWaalsContact C-N 3.35Å; L451-E453 PolarHBondContact O-N 2.95Å; E453-V457 WeakPolarHBondContact O-CB 3.13Å; E453-V457 WeakPolarHBondContact O-CG2 3.29Å; E453-V457 PolarHBondContact O-N 2.89Å; E453-R607 IonicContact OE1-CZ 3.62Å; E453-R607 IonicContact OE1-NH1 2.85Å; E453-R607 PolarHBondContact OE1-NH1 3.37Å; E453-R607 IonicContact OE1-NH2 3.55Å
454	H	62.4	Low	59.6	Low	113 Å²	113	92.1 Å²	92.1	52%	0.523	44%	0.444	S	S	.	.	H	α-helix	trans	-66.3	-42.3	170.8	-77.3	-67.3	0	0	0	112.1	K450 L451 L452 V457 I458	K450-H454 PolarHBondContact O-CD2 3.44Å; K450-H454 PolarHBondContact O-N 3.49Å; L451-H454 WeakPolarHBondContact O-CB 3.12Å; L451-H454 PolarHBondContact O-N 3.49Å; L452-H454 VanDerWaalsContact C-N 3.32Å; L452-H454 PolarHBondContact O-N 3.41Å; H454-V457 PolarHBondContact O-N 3.19Å; H454-I458 VanDerWaalsContact O-CG1 3.31Å; H454-I458 WeakPolarHBondContact O-CG1 3.2Å; H454-I458 PolarHBondContact O-N 3.37Å
455	V	61.7	Low	59.1	Low	30 Å²	30	94.6 Å²	94.6	18%	0.182	46%	0.457	C	S	.	.	H	α-helix	trans	-69.1	-43.2	179.5	174.9	0	0	0	0	112.3	L451 L452 V457 I458 I459 M476 L484	L451-V455 WeakPolarHBondContact O-CG2 3.45Å; L451-V455 PolarHBondContact O-N 3.43Å; L452-V455 PolarHBondContact O-N 3.48Å; V455-V457 VanDerWaalsContact C-N 3.26Å; V455-V457 PolarHBondContact O-N 2.91Å; V455-I458 WeakPolarHBondContact O-CB 3.36Å; V455-I458 PolarHBondContact O-N 3.28Å; V455-I458 VanDerWaalsContact O-N 3.11Å; V455-I459 HydrophobicContact CG1-CD1 3.72Å; V455-I459 HydrophobicContact CG1-CG1 4.34Å; V455-I459 WeakPolarHBondContact O-CG1 3.4Å; V455-I459 PolarHBondContact O-N 3.29Å; V455-M476 HydrophobicContact CG2-CE 4.32Å; V455-M476 HydrophobicContact CG2-SD 4.09Å; V455-L484 HydrophobicContact CG2-CD1 4.31Å
456	D	61.4	Low	58.6	Low	49 Å²	49	96.2 Å²	96.2	26%	0.262	47%	0.468	S	S	.	.	H	α-helix	trans	-65.2	-29.2	176.9	-84	-17.1	0	0	0	111.7	L452 N460 K488	L452-D456 WeakPolarHBondContact O-CB 3.44Å; L452-D456 PolarHBondContact O-N 3.43Å; D456-N460 WeakPolarHBondContact O-CB 3.26Å; D456-N460 PolarHBondContact O-N 3.46Å; D456-N460 PolarHBondContact O-ND2 2.85Å; D456-K488 IonicContact OD1-NZ 3.39Å; D456-K488 PolarHBondContact OD1-NZ 3.04Å
457	V	58.9	Low	58.2	Low	96 Å²	96	91.2 Å²	91.2	58%	0.582	45%	0.451	S	S	*	.	H	α-helix	trans	-71.3	-34.6	172.6	169.9	0	0	0	0	111.6	E453 H454 V455	E453-V457 WeakPolarHBondContact O-CB 3.13Å; E453-V457 WeakPolarHBondContact O-CG2 3.29Å; E453-V457 PolarHBondContact O-N 2.89Å; H454-V457 PolarHBondContact O-N 3.19Å; V455-V457 VanDerWaalsContact C-N 3.26Å; V455-V457 PolarHBondContact O-N 2.91Å
458	I	56.9	Low	57.7	Low	52 Å²	52	87.9 Å²	87.9	27%	0.267	45%	0.446	S	S	.	.	H	α-helix	trans	-69.6	-43.9	175.3	-66.9	164.2	0	0	0	110.3	H454 V455 N460 K461 V467 I470	H454-I458 VanDerWaalsContact O-CG1 3.31Å; H454-I458 WeakPolarHBondContact O-CG1 3.2Å; H454-I458 PolarHBondContact O-N 3.37Å; V455-I458 WeakPolarHBondContact O-CB 3.36Å; V455-I458 PolarHBondContact O-N 3.28Å; V455-I458 VanDerWaalsContact O-N 3.11Å; I458-N460 PolarHBondContact O-N 3.36Å; I458-K461 PolarHBondContact O-N 3.37Å; I458-V467 HydrophobicContact CG2-CB 4.39Å; I458-V467 HydrophobicContact CG2-CG1 4.11Å; I458-V467 HydrophobicContact CG2-CG2 3.98Å; I458-V467 WeakPolarHBondContact O-CG2 3.32Å; I458-I470 HydrophobicContact CD1-CG2 4.22Å
459	I	56.5	Low	57.2	Low	97 Å²	97	89.8 Å²	89.8	50%	0.497	46%	0.456	S	S	.	.	H	α-helix	trans	-69.2	-31.3	-177.9	-65.5	170.2	0	0	0	112.6	V455 K461	V455-I459 HydrophobicContact CG1-CD1 3.72Å; V455-I459 HydrophobicContact CG1-CG1 4.34Å; V455-I459 WeakPolarHBondContact O-CG1 3.4Å; V455-I459 PolarHBondContact O-N 3.29Å; I459-K461 VanDerWaalsContact C-N 3.34Å
460	N	55.8	Low	56.6	Low	125 Å²	125	89.7 Å²	89.7	67%	0.668	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-0.5	178.4	-74.9	-57.4	0	0	0	114.3	D456 I458 D462	D456-N460 WeakPolarHBondContact O-CB 3.26Å; D456-N460 PolarHBondContact O-N 3.46Å; D456-N460 PolarHBondContact O-ND2 2.85Å; I458-N460 PolarHBondContact O-N 3.36Å; N460-D462 PolarHBondContact O-N 3.1Å
461	K	54.2	Low	56	Low	141 Å²	141	86.8 Å²	86.8	61%	0.613	45%	0.452	S	S	*	.	S	Bend	trans	-83.7	108.9	161.2	-81.1	-176.5	173.3	-177.5	0	106.7	I458 I459 N463	I458-K461 PolarHBondContact O-N 3.37Å; I459-K461 VanDerWaalsContact C-N 3.34Å; K461-N463 PolarHBondContact O-N 3.09Å
462	D	47	Very low	55.4	Low	153 Å²	153	91.2 Å²	91.2	82%	0.818	47%	0.471	S	S	*	.	S	Bend	trans	-63.8	50.3	-177.8	-74.5	-41.9	0	0	0	114.6	N460	N460-D462 PolarHBondContact O-N 3.1Å
463	N	48.6	Very low	54.8	Low	88 Å²	88	96.8 Å²	96.8	47%	0.471	50%	0.5	S	S	.	.			trans	-125.9	84.6	167.6	-84.1	-16.3	0	0	0	108.4	K461 Q465 E466 V467	K461-N463 PolarHBondContact O-N 3.09Å; N463-Q465 PolarHBondContact O-N 3.02Å; N463-E466 HydrophobicContact CB-CB 3.91Å; N463-E466 HydrophobicContact CB-CG 4.13Å; N463-E466 WeakPolarHBondContact CB-OE2 3.48Å; N463-E466 PolarHBondContact ND2-OE2 3.08Å; N463-E466 PolarHBondContact O-N 2.99Å; N463-V467 PolarHBondContact O-N 3.23Å; N463-V467 VanDerWaalsContact O-N 3.14Å
464	T	54.7	Low	54.1	Low	125 Å²	125	98.6 Å²	98.6	77%	0.767	51%	0.513	S	S	*	.	H	α-helix	trans	-53.7	-16.2	176.6	-2.2	0	0	0	0	114.2	N468	T464-N468 PolarHBondContact O-ND2 3.21Å
465	Q	53.4	Low	53.5	Low	158 Å²	158	102 Å²	102	74%	0.738	53%	0.529	S	S	*	.	H	α-helix	trans	-88.7	-40.8	174.6	-116.9	154.7	-21.3	0	0	112.9	N463 V467 N468 D469	N463-Q465 PolarHBondContact O-N 3.02Å; Q465-V467 VanDerWaalsContact C-N 3.3Å; Q465-V467 PolarHBondContact O-N 3.33Å; Q465-N468 PolarHBondContact O-N 3.47Å; Q465-D469 PolarHBondContact O-N 3.25Å; Q465-D469 VanDerWaalsContact O-N 3.14Å
466	E	50.5	Low	53.1	Low	100 Å²	100	102.2 Å²	102.2	47%	0.467	53%	0.528	S	S	.	.	H	α-helix	trans	-66	-32.2	173.7	-80	-177.8	141.3	0	0	112	N463 N468 D469 I470	N463-E466 HydrophobicContact CB-CB 3.91Å; N463-E466 HydrophobicContact CB-CG 4.13Å; N463-E466 WeakPolarHBondContact CB-OE2 3.48Å; N463-E466 PolarHBondContact ND2-OE2 3.08Å; N463-E466 PolarHBondContact O-N 2.99Å; E466-N468 PolarHBondContact O-N 2.99Å; E466-D469 PolarHBondContact O-N 3.45Å; E466-I470 HydrophobicContact CB-CD1 4.3Å; E466-I470 VanDerWaalsContact O-CB 3.29Å; E466-I470 WeakPolarHBondContact O-CB 3.29Å; E466-I470 WeakPolarHBondContact O-CD1 3.39Å; E466-I470 WeakPolarHBondContact O-CG1 3.43Å; E466-I470 PolarHBondContact O-N 3.41Å
467	V	50.8	Low	52.8	Low	28 Å²	28	105.2 Å²	105.2	17%	0.17	55%	0.545	C	S	.	.	H	α-helix	trans	-66	-38.5	177.4	178.8	0	0	0	0	111.6	I458 N463 Q465 V471	I458-V467 HydrophobicContact CG2-CB 4.39Å; I458-V467 HydrophobicContact CG2-CG1 4.11Å; I458-V467 HydrophobicContact CG2-CG2 3.98Å; I458-V467 WeakPolarHBondContact O-CG2 3.32Å; N463-V467 PolarHBondContact O-N 3.23Å; N463-V467 VanDerWaalsContact O-N 3.14Å; Q465-V467 VanDerWaalsContact C-N 3.3Å; Q465-V467 PolarHBondContact O-N 3.33Å; V467-V471 HydrophobicContact CG1-CG2 4.35Å; V467-V471 VanDerWaalsContact O-CB 3.23Å; V467-V471 WeakPolarHBondContact O-CB 3.48Å; V467-V471 WeakPolarHBondContact O-CG2 3.37Å; V467-V471 PolarHBondContact O-N 3Å
468	N	52.1	Low	52.6	Low	98 Å²	98	107.2 Å²	107.2	52%	0.524	55%	0.552	S	S	.	*	H	α-helix	trans	-72.8	-35.5	176.7	-76.2	-34.2	0	0	0	112	T464 Q465 E466 Q472	T464-N468 PolarHBondContact O-ND2 3.21Å; Q465-N468 PolarHBondContact O-N 3.47Å; E466-N468 PolarHBondContact O-N 2.99Å; N468-Q472 WeakPolarHBondContact O-CB 3.39Å; N468-Q472 VanDerWaalsContact O-CG 3.3Å; N468-Q472 WeakPolarHBondContact O-CG 3.37Å; N468-Q472 PolarHBondContact O-N 3.32Å; N468-Q472 VanDerWaalsContact O-N 3.08Å
469	D	53.1	Low	52.5	Low	88 Å²	88	110.4 Å²	110.4	47%	0.471	57%	0.568	S	S	.	*	H	α-helix	trans	-74.1	-32.4	177.4	-67.3	-21	0	0	0	112.2	Q465 E466 N473	Q465-D469 PolarHBondContact O-N 3.25Å; Q465-D469 VanDerWaalsContact O-N 3.14Å; E466-D469 PolarHBondContact O-N 3.45Å; D469-N473 VanDerWaalsContact O-CB 3.24Å; D469-N473 WeakPolarHBondContact O-CB 3.37Å; D469-N473 PolarHBondContact O-N 3.23Å; D469-N473 VanDerWaalsContact O-N 3.07Å; D469-N473 PolarHBondContact O-ND2 3.21Å
470	I	50.7	Low	52.6	Low	66 Å²	66	109.7 Å²	109.7	34%	0.338	56%	0.563	S	S	.	*	H	α-helix	trans	-75.1	-38.3	175	-66.5	163.6	0	0	0	110.8	I458 E466 Q472 N473 D474	I458-I470 HydrophobicContact CD1-CG2 4.22Å; E466-I470 HydrophobicContact CB-CD1 4.3Å; E466-I470 VanDerWaalsContact O-CB 3.29Å; E466-I470 WeakPolarHBondContact O-CB 3.29Å; E466-I470 WeakPolarHBondContact O-CD1 3.39Å; E466-I470 WeakPolarHBondContact O-CG1 3.43Å; E466-I470 PolarHBondContact O-N 3.41Å; I470-Q472 PolarHBondContact O-N 3.02Å; I470-N473 PolarHBondContact O-N 3.14Å; I470-D474 PolarHBondContact O-N 3.35Å
471	V	53	Low	52.7	Low	53 Å²	53	106 Å²	106	32%	0.321	54%	0.543	S	S	.	.	H	α-helix	trans	-69.6	-21.4	175.5	171.8	0	0	0	0	112.3	V467 L481	V467-V471 HydrophobicContact CG1-CG2 4.35Å; V467-V471 VanDerWaalsContact O-CB 3.23Å; V467-V471 WeakPolarHBondContact O-CB 3.48Å; V467-V471 WeakPolarHBondContact O-CG2 3.37Å; V467-V471 PolarHBondContact O-N 3Å; V471-L481 HydrophobicContact CG1-CD1 4.36Å
472	Q	52.3	Low	53	Low	158 Å²	158	103.1 Å²	103.1	74%	0.738	54%	0.537	S	S	*	.	H	α-helix	trans	-90.3	-21.9	172.4	-75	-175.4	-6	0	0	114	N468 I470	N468-Q472 WeakPolarHBondContact O-CB 3.39Å; N468-Q472 VanDerWaalsContact O-CG 3.3Å; N468-Q472 WeakPolarHBondContact O-CG 3.37Å; N468-Q472 PolarHBondContact O-N 3.32Å; N468-Q472 VanDerWaalsContact O-N 3.08Å; I470-Q472 PolarHBondContact O-N 3.02Å
473	N	51.7	Low	53.7	Low	135 Å²	135	101.1 Å²	101.1	72%	0.722	52%	0.522	S	S	*	.	H	α-helix	trans	-98.2	-25.6	-176.9	-76.6	-44.7	0	0	0	114.6	D469 I470	D469-N473 VanDerWaalsContact O-CB 3.24Å; D469-N473 WeakPolarHBondContact O-CB 3.37Å; D469-N473 PolarHBondContact O-N 3.23Å; D469-N473 VanDerWaalsContact O-N 3.07Å; D469-N473 PolarHBondContact O-ND2 3.21Å; I470-N473 PolarHBondContact O-N 3.14Å
474	D	51.1	Low	54.2	Low	117 Å²	117	97.7 Å²	97.7	63%	0.626	50%	0.504	S	S	*	.	S	Bend	trans	-96.9	130.9	165.8	-80.5	-35.8	0	0	0	108.6	I470 M476	I470-D474 PolarHBondContact O-N 3.35Å; D474-M476 PolarHBondContact O-N 3.28Å
475	E	48.8	Very low	54.6	Low	184 Å²	184	100.3 Å²	100.3	86%	0.86	50%	0.5	S	S	*	.			trans	-63.5	51	-174.6	-62.8	-178.5	137.4	0	0	114.7	N477	E475-N477 PolarHBondContact O-N 3.19Å; E475-N477 VanDerWaalsContact O-N 3.13Å
476	M	53.4	Low	55.1	Low	35 Å²	35	99.1 Å²	99.1	17%	0.172	49%	0.492	C	S	.	.			trans	-85.7	83.7	172.8	-157.4	172.1	65.6	0	0	109.1	V455 D474 Q480 L481 L484	V455-M476 HydrophobicContact CG2-CE 4.32Å; V455-M476 HydrophobicContact CG2-SD 4.09Å; D474-M476 PolarHBondContact O-N 3.28Å; M476-Q480 HydrophobicContact CG-CB 3.81Å; M476-L481 HydrophobicContact CE-CD1 3.6Å; M476-L481 HydrophobicContact CE-CG 3.83Å; M476-L484 HydrophobicContact SD-CD1 3.88Å
477	N	54.8	Low	55.4	Low	113 Å²	113	96 Å²	96	60%	0.604	48%	0.477	S	S	*	.			trans	-52.5	147.5	175.5	-81.7	-33.8	0	0	0	111.2	E475 I479 Q480 L481	E475-N477 PolarHBondContact O-N 3.19Å; E475-N477 VanDerWaalsContact O-N 3.13Å; N477-I479 PolarHBondContact O-N 3.01Å; N477-Q480 PolarHBondContact O-N 2.87Å; N477-L481 PolarHBondContact O-N 2.94Å
478	N	54.8	Low	56	Low	138 Å²	138	100 Å²	100	74%	0.738	49%	0.492	S	S	*	.	H	α-helix	trans	-46.2	-29.5	174.9	-92.1	-34.5	0	0	0	113.4	L481 V482	N478-L481 PolarHBondContact O-N 3.23Å; N478-V482 VanDerWaalsContact O-CG2 3.31Å; N478-V482 WeakPolarHBondContact O-CG2 3.47Å; N478-V482 PolarHBondContact O-N 3.14Å
479	I	56.1	Low	56.7	Low	119 Å²	119	99.7 Å²	99.7	61%	0.61	49%	0.494	S	S	*	.	H	α-helix	trans	-59.9	-48	174.8	-60.1	174.7	0	0	0	111.8	N477 L481 V482 E483	N477-I479 PolarHBondContact O-N 3.01Å; I479-L481 VanDerWaalsContact C-N 3.32Å; I479-L481 PolarHBondContact O-N 3.31Å; I479-V482 PolarHBondContact O-N 3.46Å; I479-E483 WeakPolarHBondContact O-CG 3.31Å; I479-E483 PolarHBondContact O-N 3.36Å
480	Q	57.8	Low	57.1	Low	82 Å²	82	99.9 Å²	99.9	38%	0.383	49%	0.494	S	S	.	.	H	α-helix	trans	-66.4	-35.5	178.9	-79	176.1	-13.3	0	0	111.6	M476 N477 E483 L484	M476-Q480 HydrophobicContact CG-CB 3.81Å; N477-Q480 PolarHBondContact O-N 2.87Å; Q480-E483 PolarHBondContact O-N 2.97Å; Q480-L484 WeakPolarHBondContact O-CB 3.39Å; Q480-L484 WeakPolarHBondContact O-CD1 3.38Å; Q480-L484 WeakPolarHBondContact O-CG 3.49Å; Q480-L484 PolarHBondContact O-N 3.18Å
481	L	57.8	Low	57.6	Low	48 Å²	48	99.1 Å²	99.1	25%	0.251	49%	0.49	S	S	.	.	H	α-helix	trans	-68.8	-37.3	178	-133.8	152.7	0	0	0	111.9	V471 M476 N477 N478 I479 R485	V471-L481 HydrophobicContact CG1-CD1 4.36Å; M476-L481 HydrophobicContact CE-CD1 3.6Å; M476-L481 HydrophobicContact CE-CG 3.83Å; N477-L481 PolarHBondContact O-N 2.94Å; N478-L481 PolarHBondContact O-N 3.23Å; I479-L481 VanDerWaalsContact C-N 3.32Å; I479-L481 PolarHBondContact O-N 3.31Å; L481-R485 PolarHBondContact O-N 3.47Å
482	V	60.5	Low	58.2	Low	80 Å²	80	99.1 Å²	99.1	49%	0.485	50%	0.495	S	S	.	.	H	α-helix	trans	-67.4	-42	171.9	171.2	0	0	0	0	111.2	N478 I479 L484 R485 K486	N478-V482 VanDerWaalsContact O-CG2 3.31Å; N478-V482 WeakPolarHBondContact O-CG2 3.47Å; N478-V482 PolarHBondContact O-N 3.14Å; I479-V482 PolarHBondContact O-N 3.46Å; V482-L484 VanDerWaalsContact C-N 3.35Å; V482-R485 PolarHBondContact O-N 2.86Å; V482-K486 PolarHBondContact O-N 2.77Å
483	E	61.3	Low	58.8	Low	110 Å²	110	96 Å²	96	51%	0.514	48%	0.48	S	S	.	.	H	α-helix	trans	-61.8	-40.5	174.5	-76.9	-179.2	167.4	0	0	112.2	I479 Q480 K486 Y487	I479-E483 WeakPolarHBondContact O-CG 3.31Å; I479-E483 PolarHBondContact O-N 3.36Å; Q480-E483 PolarHBondContact O-N 2.97Å; E483-K486 PolarHBondContact O-N 3.29Å; E483-Y487 WeakPolarHBondContact O-CB 3.02Å; E483-Y487 PolarHBondContact O-N 2.99Å
484	L	59	Low	59	Low	16 Å²	16	92.9 Å²	92.9	8%	0.084	46%	0.461	C	S	.	.	H	α-helix	trans	-68.1	-36.4	176.8	-70.9	164.5	0	0	0	112.5	L451 L452 V455 M476 Q480 V482 Y487 K488	L451-L484 HydrophobicContact CB-CD2 4.29Å; L451-L484 HydrophobicContact CD2-CD1 3.99Å; L451-L484 HydrophobicContact CD2-CD2 4.05Å; L451-L484 HydrophobicContact CD2-CG 4.39Å; L451-L484 HydrophobicContact CG-CD1 4.33Å; L451-L484 HydrophobicContact CG-CD2 4.32Å; L452-L484 HydrophobicContact CD1-CD2 3.69Å; L452-L484 HydrophobicContact CG-CD2 3.72Å; V455-L484 HydrophobicContact CG2-CD1 4.31Å; M476-L484 HydrophobicContact SD-CD1 3.88Å; Q480-L484 WeakPolarHBondContact O-CB 3.39Å; Q480-L484 WeakPolarHBondContact O-CD1 3.38Å; Q480-L484 WeakPolarHBondContact O-CG 3.49Å; Q480-L484 PolarHBondContact O-N 3.18Å; V482-L484 VanDerWaalsContact C-N 3.35Å; L484-Y487 PolarHBondContact O-N 2.91Å; L484-K488 PolarHBondContact O-N 2.93Å; L484-K488 VanDerWaalsContact O-N 3.1Å
485	R	63.5	Low	59.5	Low	180 Å²	180	91.1 Å²	91.1	68%	0.679	45%	0.45	S	S	*	.	H	α-helix	trans	-64.9	-44.4	171.9	-77.3	-172.7	-161.6	174.2	6.6	111.7	L481 V482 Y487 K488 T489	L481-R485 PolarHBondContact O-N 3.47Å; V482-R485 PolarHBondContact O-N 2.86Å; R485-Y487 VanDerWaalsContact C-N 3.31Å; R485-Y487 PolarHBondContact O-N 2.93Å; R485-K488 PolarHBondContact O-N 3.42Å; R485-T489 PolarHBondContact O-N 2.78Å; R485-T489 VanDerWaalsContact O-N 3.14Å; R485-T489 PolarHBondContact O-OG1 3.25Å; R485-T489 VanDerWaalsContact O-OG1 3.1Å
486	K	63.1	Low	60.4	Low	133 Å²	133	88.1 Å²	88.1	58%	0.578	43%	0.434	S	S	*	.	H	α-helix	trans	-57.2	-45.7	173.9	-79.4	-174.1	176.8	-176	0	111.1	V482 E483 K488 T489 D490	V482-K486 PolarHBondContact O-N 2.77Å; E483-K486 PolarHBondContact O-N 3.29Å; K486-K488 VanDerWaalsContact C-N 3.31Å; K486-K488 PolarHBondContact O-N 2.91Å; K486-T489 WeakPolarHBondContact CA-OG1 3.38Å; K486-T489 PolarHBondContact O-N 3.39Å; K486-T489 PolarHBondContact O-OG1 2.88Å; K486-D490 WeakPolarHBondContact O-CB 3.18Å; K486-D490 PolarHBondContact O-N 3.43Å
487	Y	58.7	Low	60.8	Low	35 Å²	35	90.1 Å²	90.1	14%	0.137	45%	0.445	C	S	.	.	H	α-helix	trans	-58.1	-40.5	176.6	-176.8	-85.5	0	0	0	112.8	R445 N448 L452 E483 L484 R485 D490 E491	R445-Y487 HydrophobicContact CB-CE2 4.3Å; R445-Y487 HydrophobicContact CG-CE2 4.34Å; R445-Y487 PolarHBondContact O-OH 3.1Å; N448-Y487 HydrophobicContact CB-CD2 3.8Å; N448-Y487 HydrophobicContact CB-CE2 3.83Å; N448-Y487 HydrophobicContact CB-CG 4.31Å; L452-Y487 HydrophobicContact CD1-CD1 3.08Å; L452-Y487 HydrophobicContact CD1-CE1 3.58Å; L452-Y487 HydrophobicContact CD1-CG 3.86Å; E483-Y487 WeakPolarHBondContact O-CB 3.02Å; E483-Y487 PolarHBondContact O-N 2.99Å; L484-Y487 PolarHBondContact O-N 2.91Å; R485-Y487 VanDerWaalsContact C-N 3.31Å; R485-Y487 PolarHBondContact O-N 2.93Å; Y487-D490 PolarHBondContact O-N 3.44Å; Y487-E491 PolarHBondContact O-N 3.41Å
488	K	62.8	Low	60.9	Low	112 Å²	112	86.5 Å²	86.5	49%	0.487	43%	0.427	S	S	.	.	H	α-helix	trans	-67.8	-36.5	179.2	-151.6	170.3	-170.5	162	0	112	L452 D456 L484 R485 K486 A492	L452-K488 HydrophobicContact CD2-CD 4.38Å; D456-K488 IonicContact OD1-NZ 3.39Å; D456-K488 PolarHBondContact OD1-NZ 3.04Å; L484-K488 PolarHBondContact O-N 2.93Å; L484-K488 VanDerWaalsContact O-N 3.1Å; R485-K488 PolarHBondContact O-N 3.42Å; K486-K488 VanDerWaalsContact C-N 3.31Å; K486-K488 PolarHBondContact O-N 2.91Å; K488-A492 PolarHBondContact O-N 3.04Å
489	T	66.1	Low	61.3	Low	92 Å²	92	84 Å²	84	56%	0.564	41%	0.411	S	S	*	.	H	α-helix	trans	-68.7	-38.5	170.7	34.1	0	0	0	0	112.5	R485 K486 A492 Q493	R485-T489 PolarHBondContact O-N 2.78Å; R485-T489 VanDerWaalsContact O-N 3.14Å; R485-T489 PolarHBondContact O-OG1 3.25Å; R485-T489 VanDerWaalsContact O-OG1 3.1Å; K486-T489 WeakPolarHBondContact CA-OG1 3.38Å; K486-T489 PolarHBondContact O-N 3.39Å; K486-T489 PolarHBondContact O-OG1 2.88Å; T489-A492 PolarHBondContact O-N 3.27Å; T489-Q493 PolarHBondContact O-N 2.87Å
490	D	61.4	Low	61.9	Low	91 Å²	91	82.6 Å²	82.6	49%	0.487	40%	0.403	S	S	.	.	H	α-helix	trans	-68.8	-38	179.2	-63.9	-19.5	0	0	0	111.7	K486 Y487 A492 Q493 Q494	K486-D490 WeakPolarHBondContact O-CB 3.18Å; K486-D490 PolarHBondContact O-N 3.43Å; Y487-D490 PolarHBondContact O-N 3.44Å; D490-A492 VanDerWaalsContact C-N 3.35Å; D490-A492 PolarHBondContact O-N 2.84Å; D490-Q493 PolarHBondContact O-N 2.9Å; D490-Q494 WeakPolarHBondContact O-CG 3.33Å; D490-Q494 PolarHBondContact O-N 2.74Å
491	E	62.3	Low	62.2	Low	51 Å²	51	82 Å²	82	24%	0.238	40%	0.4	C	S	.	.	H	α-helix	trans	-63.5	-40.3	174.9	-164.6	-175.2	-168.8	0	0	111.1	R449 Y487 Q493 Q494 E495 K610	R449-E491 IonicContact NH2-OE1 2.84Å; Y487-E491 PolarHBondContact O-N 3.41Å; E491-Q493 VanDerWaalsContact C-N 3.34Å; E491-Q494 PolarHBondContact O-N 3.22Å; E491-E495 PolarHBondContact O-N 3.48Å; E491-E495 VanDerWaalsContact O-N 3.09Å; E491-K610 VanDerWaalsContact CD-NZ 3.29Å; E491-K610 IonicContact OE1-NZ 2.68Å; E491-K610 PolarHBondContact OE1-NZ 3.43Å; E491-K610 IonicContact OE2-NZ 3.32Å; E491-K610 PolarHBondContact OE2-NZ 2.93Å
492	A	64.5	Low	62.5	Low	53 Å²	53	80.4 Å²	80.4	44%	0.438	39%	0.393	S	S	.	.	H	α-helix	trans	-68.8	-32.4	176.8	0	0	0	0	0	112.7	K488 T489 D490 K496	K488-A492 PolarHBondContact O-N 3.04Å; T489-A492 PolarHBondContact O-N 3.27Å; D490-A492 VanDerWaalsContact C-N 3.35Å; D490-A492 PolarHBondContact O-N 2.84Å; A492-K496 PolarHBondContact O-N 3.49Å
493	Q	65.2	Low	63.1	Low	91 Å²	91	85.3 Å²	85.3	43%	0.425	40%	0.402	S	S	.	.	H	α-helix	trans	-72.1	-43	174	-172.2	57.4	40.5	0	0	111.2	T489 D490 E491 E495 K496 D497	T489-Q493 PolarHBondContact O-N 2.87Å; D490-Q493 PolarHBondContact O-N 2.9Å; E491-Q493 VanDerWaalsContact C-N 3.34Å; Q493-E495 VanDerWaalsContact C-N 3.3Å; Q493-E495 PolarHBondContact O-N 2.76Å; Q493-K496 WeakPolarHBondContact O-CB 3.47Å; Q493-K496 PolarHBondContact O-N 3.34Å; Q493-K496 VanDerWaalsContact O-N 3.08Å; Q493-D497 PolarHBondContact NE2-OD1 3.14Å; Q493-D497 VanDerWaalsContact O-CG 3.25Å; Q493-D497 PolarHBondContact O-N 3.43Å
494	Q	56.5	Low	63.4	Low	70 Å²	70	85.7 Å²	85.7	33%	0.327	40%	0.404	S	S	.	.	H	α-helix	trans	-58.1	-40.6	175.5	-79.4	177.5	0.4	0	0	112.6	R445 D490 E491 K496 D497 V498	R445-Q494 VanDerWaalsContact NH1-NE2 3.17Å; D490-Q494 WeakPolarHBondContact O-CG 3.33Å; D490-Q494 PolarHBondContact O-N 2.74Å; E491-Q494 PolarHBondContact O-N 3.22Å; Q494-K496 VanDerWaalsContact C-N 3.29Å; Q494-K496 PolarHBondContact O-N 2.95Å; Q494-D497 PolarHBondContact O-N 3.37Å; Q494-V498 WeakPolarHBondContact O-CG2 3.42Å; Q494-V498 PolarHBondContact O-N 3.48Å
495	E	61.2	Low	63.6	Low	81 Å²	81	86 Å²	86	38%	0.379	41%	0.405	S	S	.	.	H	α-helix	trans	-64.3	-36	177.7	-167.4	159.8	-149.8	0	0	111.8	E491 Q493 E499 S613	E491-E495 PolarHBondContact O-N 3.48Å; E491-E495 VanDerWaalsContact O-N 3.09Å; Q493-E495 VanDerWaalsContact C-N 3.3Å; Q493-E495 PolarHBondContact O-N 2.76Å; E495-E499 PolarHBondContact O-N 2.92Å; E495-S613 PolarHBondContact OE1-OG 3.23Å
496	K	66.8	Low	63.8	Low	121 Å²	121	81.8 Å²	81.8	53%	0.526	39%	0.393	S	S	.	.	H	α-helix	trans	-68.2	-41.7	172.5	-68.8	176.6	-177.9	175.4	0	112.3	A492 Q493 Q494 V498 E499 I500	A492-K496 PolarHBondContact O-N 3.49Å; Q493-K496 WeakPolarHBondContact O-CB 3.47Å; Q493-K496 PolarHBondContact O-N 3.34Å; Q493-K496 VanDerWaalsContact O-N 3.08Å; Q494-K496 VanDerWaalsContact C-N 3.29Å; Q494-K496 PolarHBondContact O-N 2.95Å; K496-V498 VanDerWaalsContact C-N 3.32Å; K496-V498 PolarHBondContact O-N 3.19Å; K496-E499 PolarHBondContact O-N 3.31Å; K496-I500 WeakPolarHBondContact O-CG1 3.3Å; K496-I500 PolarHBondContact O-N 3.46Å
497	D	62.1	Low	64.2	Low	77 Å²	77	80.6 Å²	80.6	41%	0.412	39%	0.389	S	S	.	.	H	α-helix	trans	-64.4	-38.9	-180	-62.7	-19.3	0	0	0	111.1	Q493 Q494 I500 F501	Q493-D497 PolarHBondContact NE2-OD1 3.14Å; Q493-D497 VanDerWaalsContact O-CG 3.25Å; Q493-D497 PolarHBondContact O-N 3.43Å; Q494-D497 PolarHBondContact O-N 3.37Å; D497-I500 PolarHBondContact O-N 3.06Å; D497-F501 WeakPolarHBondContact O-CB 3.31Å; D497-F501 PolarHBondContact O-N 3.01Å
498	V	58.3	Low	64.4	Low	36 Å²	36	83.3 Å²	83.3	22%	0.218	40%	0.403	C	S	.	.	H	α-helix	trans	-63.5	-40.3	173	171.9	0	0	0	0	111.6	Q494 K496 F501 C502 F617	Q494-V498 WeakPolarHBondContact O-CG2 3.42Å; Q494-V498 PolarHBondContact O-N 3.48Å; K496-V498 VanDerWaalsContact C-N 3.32Å; K496-V498 PolarHBondContact O-N 3.19Å; V498-F501 PolarHBondContact O-N 3.03Å; V498-C502 PolarHBondContact O-N 3.24Å; V498-C502 PolarHBondContact O-SG 3.31Å; V498-F617 HydrophobicContact CG1-CB 4.18Å; V498-F617 HydrophobicContact CG1-CD2 3.9Å; V498-F617 HydrophobicContact CG1-CG 4.31Å
499	E	63	Low	64.3	Low	86 Å²	86	79.5 Å²	79.5	40%	0.402	39%	0.39	S	S	.	.	H	α-helix	trans	-65.6	-39.6	175	-76.8	-163.4	151.9	0	0	112.5	E495 K496 C502 R503 R616	E495-E499 PolarHBondContact O-N 2.92Å; K496-E499 PolarHBondContact O-N 3.31Å; E499-C502 PolarHBondContact O-N 3.31Å; E499-R503 WeakPolarHBondContact O-CG 3.45Å; E499-R503 PolarHBondContact O-N 2.93Å; E499-R503 VanDerWaalsContact O-N 3.1Å; E499-R616 IonicContact OE1-NH1 3.95Å
500	I	68.5	Low	64.4	Low	89 Å²	89	82.7 Å²	82.7	46%	0.456	39%	0.391	S	S	.	.	H	α-helix	trans	-63.5	-47.9	175.7	-67.6	165	0	0	0	110.1	K496 D497 C502 R503 Q504	K496-I500 WeakPolarHBondContact O-CG1 3.3Å; K496-I500 PolarHBondContact O-N 3.46Å; D497-I500 PolarHBondContact O-N 3.06Å; I500-C502 PolarHBondContact O-N 3.37Å; I500-R503 PolarHBondContact O-N 3.42Å; I500-Q504 HydrophobicContact CG2-CG 4.45Å; I500-Q504 WeakPolarHBondContact O-CG 3.26Å; I500-Q504 PolarHBondContact O-N 3.39Å
501	F	63.6	Low	64.6	Low	71 Å²	71	83.4 Å²	83.4	31%	0.311	39%	0.39	S	S	.	.	H	α-helix	trans	-57.4	-47.3	176.9	177.4	-96.7	0	0	0	111.9	D497 V498 R503 Q504 E505 F617	D497-F501 WeakPolarHBondContact O-CB 3.31Å; D497-F501 PolarHBondContact O-N 3.01Å; V498-F501 PolarHBondContact O-N 3.03Å; F501-R503 VanDerWaalsContact C-N 3.31Å; F501-R503 PolarHBondContact O-N 2.65Å; F501-Q504 PolarHBondContact O-N 3.43Å; F501-E505 HydrophobicContact CD1-CG 4.27Å; F501-E505 HydrophobicContact CE1-CG 3.79Å; F501-E505 HydrophobicContact CE2-CG 4.15Å; F501-E505 HydrophobicContact CZ-CG 3.72Å; F501-E505 PolarHBondContact O-N 2.93Å; F501-F617 HydrophobicContact CD1-CD2 4.45Å; F501-F617 AromaticContact CD1-CE2 3.97Å; F501-F617 HydrophobicContact CD1-CE2 3.97Å; F501-F617 AromaticContact CE1-CE2 3.97Å; F501-F617 HydrophobicContact CE1-CE2 3.97Å
502	C	65.2	Low	64.3	Low	14 Å²	14	84 Å²	84	10%	0.095	39%	0.394	C	S	.	.	H	α-helix	trans	-61.8	-37.3	178.4	-67.8	0	0	0	0	112.3	V498 E499 I500 E506	V498-C502 PolarHBondContact O-N 3.24Å; V498-C502 PolarHBondContact O-SG 3.31Å; E499-C502 PolarHBondContact O-N 3.31Å; I500-C502 PolarHBondContact O-N 3.37Å; C502-E506 WeakPolarHBondContact O-CG 3.49Å; C502-E506 PolarHBondContact O-N 3.31Å
503	R	71.5	Confident	64.2	Low	182 Å²	182	85.8 Å²	85.8	69%	0.687	40%	0.396	S	S	*	.	H	α-helix	trans	-67.8	-42.4	175.3	-75.6	-172.6	-167.7	-175.4	6.6	112.4	E499 I500 F501 E506 E507	E499-R503 WeakPolarHBondContact O-CG 3.45Å; E499-R503 PolarHBondContact O-N 2.93Å; E499-R503 VanDerWaalsContact O-N 3.1Å; I500-R503 PolarHBondContact O-N 3.42Å; F501-R503 VanDerWaalsContact C-N 3.31Å; F501-R503 PolarHBondContact O-N 2.65Å; R503-E506 PolarHBondContact O-N 2.95Å; R503-E507 PolarHBondContact O-N 3.34Å
504	Q	68.5	Low	63.9	Low	119 Å²	119	88.2 Å²	88.2	56%	0.556	41%	0.407	S	S	*	.	H	α-helix	trans	-63	-42.8	177.7	-73.6	177.2	-15.3	0	0	111.4	I500 F501 E507 H508	I500-Q504 HydrophobicContact CG2-CG 4.45Å; I500-Q504 WeakPolarHBondContact O-CG 3.26Å; I500-Q504 PolarHBondContact O-N 3.39Å; F501-Q504 PolarHBondContact O-N 3.43Å; Q504-E507 PolarHBondContact O-N 2.92Å; Q504-H508 WeakPolarHBondContact O-CB 3.22Å; Q504-H508 PolarHBondContact O-N 2.87Å
505	E	63.4	Low	63.9	Low	23 Å²	23	89.9 Å²	89.9	11%	0.107	42%	0.417	C	S	.	.	H	α-helix	trans	-63	-43.1	174.3	-78.9	-66.9	120	0	0	112.4	F501 E507 H508 T509 R624	F501-E505 HydrophobicContact CD1-CG 4.27Å; F501-E505 HydrophobicContact CE1-CG 3.79Å; F501-E505 HydrophobicContact CE2-CG 4.15Å; F501-E505 HydrophobicContact CZ-CG 3.72Å; F501-E505 PolarHBondContact O-N 2.93Å; E505-E507 VanDerWaalsContact C-N 3.29Å; E505-E507 PolarHBondContact O-N 3.38Å; E505-H508 PolarHBondContact O-N 3.37Å; E505-T509 WeakPolarHBondContact O-CB 3.42Å; E505-T509 PolarHBondContact O-N 3.14Å; E505-T509 PolarHBondContact O-OG1 3.11Å; E505-R624 IonicContact OE1-CZ 3.73Å; E505-R624 IonicContact OE1-NH1 3.59Å; E505-R624 PolarHBondContact OE1-NH1 2.85Å; E505-R624 WeakPolarHBondContact OE2-CD 3.4Å; E505-R624 IonicContact OE2-CZ 3.65Å; E505-R624 IonicContact OE2-NE 3.5Å; E505-R624 IonicContact OE2-NH1 3.65Å; E505-R624 PolarHBondContact OE2-NH1 3.44Å
506	E	67.1	Low	63.6	Low	91 Å²	91	90.4 Å²	90.4	43%	0.425	42%	0.42	S	S	.	.	H	α-helix	trans	-60.1	-39.6	174.4	-80.1	-175	-173.4	0	0	112.1	C502 R503 R510	C502-E506 WeakPolarHBondContact O-CG 3.49Å; C502-E506 PolarHBondContact O-N 3.31Å; R503-E506 PolarHBondContact O-N 2.95Å; E506-R510 VanDerWaalsContact O-CG 3.24Å; E506-R510 WeakPolarHBondContact O-CG 3.25Å; E506-R510 PolarHBondContact O-N 3.36Å; E506-R510 VanDerWaalsContact O-N 3.08Å; E506-R510 IonicContact OE2-NH2 3.8Å
507	E	71.7	Confident	62.8	Low	107 Å²	107	87.7 Å²	87.7	50%	0.5	43%	0.426	S	S	.	.	H	α-helix	trans	-69.9	-41.5	177.4	-156.9	-171.9	145.7	0	0	111.9	R503 Q504 E505 R510 K511	R503-E507 PolarHBondContact O-N 3.34Å; Q504-E507 PolarHBondContact O-N 2.92Å; E505-E507 VanDerWaalsContact C-N 3.29Å; E505-E507 PolarHBondContact O-N 3.38Å; E507-R510 PolarHBondContact O-N 3.15Å; E507-K511 WeakPolarHBondContact O-CG 3.28Å; E507-K511 PolarHBondContact O-N 3.11Å; E507-K511 WeakPolarHBondContact OE1-CE 3.31Å; E507-K511 IonicContact OE1-NZ 2.77Å; E507-K511 PolarHBondContact OE1-NZ 3.37Å
508	H	62.1	Low	62.2	Low	92 Å²	92	91.6 Å²	91.6	43%	0.426	44%	0.442	S	S	.	.	H	α-helix	trans	-64.5	-43.3	176.1	-173.7	-88.9	0	0	0	111.8	Q504 E505 R510 K511 M512	Q504-H508 WeakPolarHBondContact O-CB 3.22Å; Q504-H508 PolarHBondContact O-N 2.87Å; E505-H508 PolarHBondContact O-N 3.37Å; H508-R510 VanDerWaalsContact C-N 3.33Å; H508-R510 PolarHBondContact O-N 3.26Å; H508-K511 PolarHBondContact O-N 3.23Å; H508-M512 WeakPolarHBondContact O-CB 3.34Å; H508-M512 WeakPolarHBondContact O-CG 3.43Å; H508-M512 PolarHBondContact O-N 3.31Å
509	T	61.9	Low	61.2	Low	33 Å²	33	98.6 Å²	98.6	20%	0.202	47%	0.47	C	S	.	.	H	α-helix	trans	-63.2	-40.7	176.7	-38.4	0	0	0	0	110.7	E505 K511 M512 D513	E505-T509 WeakPolarHBondContact O-CB 3.42Å; E505-T509 PolarHBondContact O-N 3.14Å; E505-T509 PolarHBondContact O-OG1 3.11Å; T509-K511 PolarHBondContact O-N 3.25Å; T509-M512 PolarHBondContact O-N 2.86Å; T509-D513 WeakPolarHBondContact O-CB 3.37Å; T509-D513 VanDerWaalsContact O-CG 3.31Å; T509-D513 PolarHBondContact O-N 2.86Å
510	R	68.6	Low	60.1	Low	158 Å²	158	102.7 Å²	102.7	60%	0.596	49%	0.494	S	S	*	.	H	α-helix	trans	-63.6	-39.1	174.7	-73.9	175.7	-159.9	-165.1	8.4	112.8	E506 E507 H508 Q514	E506-R510 VanDerWaalsContact O-CG 3.24Å; E506-R510 WeakPolarHBondContact O-CG 3.25Å; E506-R510 PolarHBondContact O-N 3.36Å; E506-R510 VanDerWaalsContact O-N 3.08Å; E506-R510 IonicContact OE2-NH2 3.8Å; E507-R510 PolarHBondContact O-N 3.15Å; H508-R510 VanDerWaalsContact C-N 3.33Å; H508-R510 PolarHBondContact O-N 3.26Å; R510-Q514 WeakPolarHBondContact O-CG 3.34Å; R510-Q514 PolarHBondContact O-N 3.2Å
511	K	65.2	Low	58.8	Low	106 Å²	106	103.9 Å²	103.9	46%	0.461	51%	0.505	S	S	.	.	H	α-helix	trans	-66.1	-41.9	175.2	-74.2	174.2	-174.6	164.5	0	111.1	E507 H508 T509 Q514 I515	E507-K511 WeakPolarHBondContact O-CG 3.28Å; E507-K511 PolarHBondContact O-N 3.11Å; E507-K511 WeakPolarHBondContact OE1-CE 3.31Å; E507-K511 IonicContact OE1-NZ 2.77Å; E507-K511 PolarHBondContact OE1-NZ 3.37Å; H508-K511 PolarHBondContact O-N 3.23Å; T509-K511 PolarHBondContact O-N 3.25Å; K511-Q514 WeakPolarHBondContact O-CB 3.28Å; K511-Q514 PolarHBondContact O-N 2.99Å; K511-I515 WeakPolarHBondContact O-CD1 3.38Å; K511-I515 VanDerWaalsContact O-CG1 3.23Å; K511-I515 WeakPolarHBondContact O-CG1 3.19Å; K511-I515 PolarHBondContact O-N 3.26Å
512	M	56.4	Low	57.7	Low	64 Å²	64	106.1 Å²	106.1	32%	0.315	53%	0.527	S	S	.	.	H	α-helix	trans	-66.7	-40.1	176.5	-73.5	-67.8	167.5	0	0	112.6	H508 T509 Q514 I515 E516	H508-M512 WeakPolarHBondContact O-CB 3.34Å; H508-M512 WeakPolarHBondContact O-CG 3.43Å; H508-M512 PolarHBondContact O-N 3.31Å; T509-M512 PolarHBondContact O-N 2.86Å; M512-Q514 VanDerWaalsContact C-N 3.27Å; M512-Q514 PolarHBondContact O-N 3.07Å; M512-I515 PolarHBondContact O-N 3.42Å; M512-I515 VanDerWaalsContact O-N 3.15Å; M512-I515 HydrophobicContact SD-CD1 4.5Å; M512-E516 PolarHBondContact O-N 3.32Å
513	D	60.9	Low	56.5	Low	91 Å²	91	112.4 Å²	112.4	49%	0.487	56%	0.558	S	S	.	*	H	α-helix	trans	-64	-32.3	173.2	-72.6	-22.3	0	0	0	111.8	T509 G517	T509-D513 WeakPolarHBondContact O-CB 3.37Å; T509-D513 VanDerWaalsContact O-CG 3.31Å; T509-D513 PolarHBondContact O-N 2.86Å; D513-G517 PolarHBondContact O-N 2.98Å
514	Q	60.4	Low	54.8	Low	142 Å²	142	111.4 Å²	111.4	66%	0.664	56%	0.561	S	S	*	*	H	α-helix	trans	-70.4	-37.7	172.1	-76.7	175.6	-2.4	0	0	112.1	R510 K511 M512 G517	R510-Q514 WeakPolarHBondContact O-CG 3.34Å; R510-Q514 PolarHBondContact O-N 3.2Å; K511-Q514 WeakPolarHBondContact O-CB 3.28Å; K511-Q514 PolarHBondContact O-N 2.99Å; M512-Q514 VanDerWaalsContact C-N 3.27Å; M512-Q514 PolarHBondContact O-N 3.07Å; Q514-G517 PolarHBondContact O-N 3.31Å
515	I	56.1	Low	53.3	Low	105 Å²	105	113.8 Å²	113.8	54%	0.538	57%	0.573	S	S	.	*	H	α-helix	trans	-73.1	-38.3	178.5	-65	162.1	0	0	0	111.3	K511 M512 G517 E518	K511-I515 WeakPolarHBondContact O-CD1 3.38Å; K511-I515 VanDerWaalsContact O-CG1 3.23Å; K511-I515 WeakPolarHBondContact O-CG1 3.19Å; K511-I515 PolarHBondContact O-N 3.26Å; M512-I515 PolarHBondContact O-N 3.42Å; M512-I515 VanDerWaalsContact O-N 3.15Å; M512-I515 HydrophobicContact SD-CD1 4.5Å; I515-G517 PolarHBondContact O-N 2.98Å; I515-E518 CarbonylContact O-C 3.5Å; I515-E518 PolarHBondContact O-N 3.33Å; I515-E518 VanDerWaalsContact O-N 3.1Å
516	E	53.9	Low	52.1	Low	91 Å²	91	118.7 Å²	118.7	43%	0.425	60%	0.599	S	S	.	*	H	α-helix	trans	-65.3	-20.2	173.4	-84.1	-159.6	135	0	0	112.8	M512 K634	M512-E516 PolarHBondContact O-N 3.32Å; E516-K634 IonicContact OE1-NZ 3.53Å; E516-K634 PolarHBondContact OE1-NZ 3.41Å
517	G	51.5	Low	51.1	Low	65 Å²	65	120.3 Å²	120.3	67%	0.67	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	-18.6	173	0	0	0	0	0	114.3	D513 Q514 I515	D513-G517 PolarHBondContact O-N 2.98Å; Q514-G517 PolarHBondContact O-N 3.31Å; I515-G517 PolarHBondContact O-N 2.98Å
518	E	47.7	Very low	49.8	Very low	158 Å²	158	121.7 Å²	121.7	74%	0.738	62%	0.617	S	S	*	*	S	Bend	trans	-129.8	93.8	-177.8	-76.1	-173.4	145.1	0	0	111	I515	I515-E518 CarbonylContact O-C 3.5Å; I515-E518 PolarHBondContact O-N 3.33Å; I515-E518 VanDerWaalsContact O-N 3.1Å
519	K	38.6	Very low	48.8	Very low	184 Å²	184	124 Å²	124	80%	0.8	63%	0.628	S	S	*	*			trans	91.6	125.9	166.3	-54.8	173	179.5	173.6	0	117	V521	K519-V521 PolarHBondContact O-N 3.34Å
520	N	40.2	Very low	47.7	Very low	171 Å²	171	126.9 Å²	126.9	91%	0.914	64%	0.642	S	S	*	*			trans	-60.2	110.5	159.8	-72.6	-33.8	0	0	0	109.7
521	V	40.4	Very low	46.6	Very low	114 Å²	114	125.2 Å²	125.2	69%	0.691	64%	0.641	S	S	*	*			trans	-117.5	118.2	165.4	-177.6	0	0	0	0	107.8	K519	K519-V521 PolarHBondContact O-N 3.34Å
522	P	40.2	Very low	45.6	Very low	118 Å²	118	122.7 Å²	122.7	77%	0.766	63%	0.632	S	S	*	*			trans	-74.1	130.6	171.3	6.4	8.4	0	0	0	109.2
523	I	39.8	Very low	45.1	Very low	146 Å²	146	123.5 Å²	123.5	75%	0.749	64%	0.637	S	S	*	*			trans	-107.6	99.8	171.2	-58.2	174.3	0	0	0	106.4
524	E	36.6	Very low	44.4	Very low	162 Å²	162	124.1 Å²	124.1	76%	0.757	64%	0.636	S	S	*	*			trans	-99.9	144	165.8	-89.1	-174.8	147.6	0	0	109.5
525	E	36.6	Very low	43.9	Very low	169 Å²	169	120.1 Å²	120.1	79%	0.79	62%	0.617	S	S	*	*	S	Bend	trans	72.5	86.8	162.3	-62.8	-178	161	0	0	118.6
526	D	38.4	Very low	43.7	Very low	125 Å²	125	121.6 Å²	121.6	67%	0.668	62%	0.622	S	S	*	*			trans	-177.2	67.7	132.8	-87.9	-24.6	0	0	0	109.8	E528	D526-E528 VanDerWaalsContact C-N 3.29Å; D526-E528 PolarHBondContact O-N 2.92Å
527	N	46.4	Very low	43.6	Very low	125 Å²	125	120.5 Å²	120.5	67%	0.668	62%	0.617	S	S	*	*	H	α-helix	trans	-73.2	-10.9	-171.9	-83.2	-32.2	0	0	0	115.2	H531	N527-H531 PolarHBondContact O-N 3.48Å
528	E	44.8	Very low	43.5	Very low	137 Å²	137	123.5 Å²	123.5	64%	0.64	61%	0.609	S	S	*	*	H	α-helix	trans	-81.5	-39.5	178.3	-133.8	174	-175.6	0	0	111.3	D526 H531 D532	D526-E528 VanDerWaalsContact C-N 3.29Å; D526-E528 PolarHBondContact O-N 2.92Å; E528-H531 PolarHBondContact O-N 2.93Å; E528-D532 PolarHBondContact O-N 3.38Å; E528-D532 VanDerWaalsContact O-N 3.08Å
529	E	40.7	Very low	43.7	Very low	140 Å²	140	121.1 Å²	121.1	65%	0.654	59%	0.594	S	S	*	*	H	α-helix	trans	-68.3	-37	178	-131.2	176.9	-159.1	0	0	111.5	D532 L533	E529-D532 PolarHBondContact O-N 2.72Å; E529-L533 WeakPolarHBondContact O-CB 3.44Å; E529-L533 PolarHBondContact O-N 3.25Å
530	L	39.1	Very low	44.5	Very low	93 Å²	93	118.3 Å²	118.3	49%	0.487	58%	0.583	S	S	.	*	H	α-helix	trans	-68	-34.9	177.2	-164.1	73.1	0	0	0	112.4	F534	L530-F534 WeakPolarHBondContact O-CB 3.44Å; L530-F534 PolarHBondContact O-N 3.45Å
531	H	44.3	Very low	45	Very low	123 Å²	123	112.9 Å²	112.9	57%	0.569	55%	0.554	S	S	*	*	H	α-helix	trans	-72.8	-40.5	176.7	-157.4	-70.2	0	0	0	111.3	N527 E528 L533 F534 E535	N527-H531 PolarHBondContact O-N 3.48Å; E528-H531 PolarHBondContact O-N 2.93Å; H531-L533 VanDerWaalsContact C-N 3.34Å; H531-F534 WeakPolarHBondContact O-CB 3.37Å; H531-F534 PolarHBondContact O-N 2.9Å; H531-E535 PolarHBondContact O-N 2.8Å
532	D	45	Very low	45.6	Very low	54 Å²	54	108.9 Å²	108.9	29%	0.289	53%	0.528	S	S	.	.	H	α-helix	trans	-63.7	-39.7	173.3	-78.5	-10.7	0	0	0	111.1	R427 E528 E529 E535 Q536	R427-D532 IonicContact CZ-OD2 3.68Å; R427-D532 IonicContact NH1-OD1 2.69Å; R427-D532 IonicContact NH1-OD2 2.64Å; R427-D532 PolarHBondContact NH1-OD2 3.44Å; E528-D532 PolarHBondContact O-N 3.38Å; E528-D532 VanDerWaalsContact O-N 3.08Å; E529-D532 PolarHBondContact O-N 2.72Å; D532-E535 PolarHBondContact O-N 2.74Å; D532-Q536 WeakPolarHBondContact O-CB 3.37Å; D532-Q536 WeakPolarHBondContact O-CG 3.36Å; D532-Q536 PolarHBondContact O-N 3.46Å
533	L	46.1	Very low	46.3	Very low	80 Å²	80	105 Å²	105	42%	0.419	50%	0.501	S	S	.	.	H	α-helix	trans	-62.7	-41.8	172.7	-124.1	95.8	0	0	0	112	E529 H531 Q537	E529-L533 WeakPolarHBondContact O-CB 3.44Å; E529-L533 PolarHBondContact O-N 3.25Å; H531-L533 VanDerWaalsContact C-N 3.34Å; L533-Q537 VanDerWaalsContact O-CB 3.29Å; L533-Q537 WeakPolarHBondContact O-CB 3.45Å; L533-Q537 WeakPolarHBondContact O-CG 3.32Å; L533-Q537 PolarHBondContact O-N 2.82Å
534	F	45	Very low	46.8	Very low	104 Å²	104	98.7 Å²	98.7	46%	0.456	47%	0.47	S	S	.	.	H	α-helix	trans	-63.9	-43	179.4	-172.7	-88.7	0	0	0	111.2	L530 H531 Q537 Y538	L530-F534 WeakPolarHBondContact O-CB 3.44Å; L530-F534 PolarHBondContact O-N 3.45Å; H531-F534 WeakPolarHBondContact O-CB 3.37Å; H531-F534 PolarHBondContact O-N 2.9Å; F534-Q537 PolarHBondContact O-N 2.94Å; F534-Y538 WeakPolarHBondContact O-CB 3.27Å; F534-Y538 PolarHBondContact O-N 3.3Å
535	E	51.6	Low	47.4	Very low	58 Å²	58	94.4 Å²	94.4	27%	0.271	45%	0.452	S	S	.	.	H	α-helix	trans	-69	-45.7	-179.8	-146.7	177.6	167	0	0	111.1	M431 H531 D532 Q537 Y538 Y539	M431-E535 HydrophobicContact CE-CB 4.33Å; M431-E535 HydrophobicContact CE-CG 3.83Å; H531-E535 PolarHBondContact O-N 2.8Å; D532-E535 PolarHBondContact O-N 2.74Å; E535-Q537 VanDerWaalsContact C-N 3.32Å; E535-Q537 PolarHBondContact O-N 2.83Å; E535-Y538 PolarHBondContact O-N 2.94Å; E535-Y539 HydrophobicContact CG-CD2 4.26Å; E535-Y539 HydrophobicContact CG-CE2 3.91Å; E535-Y539 VanDerWaalsContact O-CD2 3.22Å; E535-Y539 WeakPolarHBondContact O-CD2 3.45Å; E535-Y539 PolarHBondContact O-N 3.41Å; E535-Y539 VanDerWaalsContact O-N 3.12Å
536	Q	50.8	Low	48.3	Very low	136 Å²	136	88.3 Å²	88.3	64%	0.636	42%	0.423	S	S	*	.	H	α-helix	trans	-57.3	-43.8	173.1	-79.3	-175.6	-8.4	0	0	112.2	D532 H540	D532-Q536 WeakPolarHBondContact O-CB 3.37Å; D532-Q536 WeakPolarHBondContact O-CG 3.36Å; D532-Q536 PolarHBondContact O-N 3.46Å; Q536-H540 WeakPolarHBondContact O-CB 3.34Å; Q536-H540 PolarHBondContact O-N 2.89Å
537	Q	51.2	Low	48.9	Very low	68 Å²	68	85.6 Å²	85.6	32%	0.318	41%	0.407	S	S	.	.	H	α-helix	trans	-70.3	-35.4	179.6	-74	177.4	9.2	0	0	112.8	L533 F534 E535 H540 L541	L533-Q537 VanDerWaalsContact O-CB 3.29Å; L533-Q537 WeakPolarHBondContact O-CB 3.45Å; L533-Q537 WeakPolarHBondContact O-CG 3.32Å; L533-Q537 PolarHBondContact O-N 2.82Å; F534-Q537 PolarHBondContact O-N 2.94Å; E535-Q537 VanDerWaalsContact C-N 3.32Å; E535-Q537 PolarHBondContact O-N 2.83Å; Q537-H540 PolarHBondContact O-N 3.48Å; Q537-L541 WeakPolarHBondContact O-CB 3.22Å; Q537-L541 PolarHBondContact O-N 2.98Å
538	Y	49.1	Very low	48.7	Very low	128 Å²	128	81.1 Å²	81.1	50%	0.502	38%	0.384	S	S	.	.	H	α-helix	trans	-63.3	-43.9	176.1	-179.7	-102.6	0	0	0	111.7	F534 E535 L541 I542	F534-Y538 WeakPolarHBondContact O-CB 3.27Å; F534-Y538 PolarHBondContact O-N 3.3Å; E535-Y538 PolarHBondContact O-N 2.94Å; Y538-L541 WeakPolarHBondContact O-CB 3.04Å; Y538-L541 PolarHBondContact O-N 2.96Å; Y538-I542 HydrophobicContact CD1-CD1 3.81Å; Y538-I542 HydrophobicContact CE1-CD1 3.32Å; Y538-I542 HydrophobicContact CE1-CG1 4.27Å; Y538-I542 WeakPolarHBondContact O-CG1 3.47Å; Y538-I542 PolarHBondContact O-N 3.32Å
539	Y	52.4	Low	48.7	Very low	109 Å²	109	77.9 Å²	77.9	43%	0.427	37%	0.373	S	S	.	.	H	α-helix	trans	-69.9	-37.5	176	-76.2	-69.5	0	0	0	112.6	M431 E535 L541 I542 D543	M431-Y539 HydrophobicContact CE-CD2 4.03Å; M431-Y539 HydrophobicContact CE-CE2 3.87Å; E535-Y539 HydrophobicContact CG-CD2 4.26Å; E535-Y539 HydrophobicContact CG-CE2 3.91Å; E535-Y539 VanDerWaalsContact O-CD2 3.22Å; E535-Y539 WeakPolarHBondContact O-CD2 3.45Å; E535-Y539 PolarHBondContact O-N 3.41Å; E535-Y539 VanDerWaalsContact O-N 3.12Å; Y539-L541 VanDerWaalsContact C-N 3.26Å; Y539-L541 PolarHBondContact O-N 3.43Å; Y539-I542 HydrophobicContact CD1-CD1 4.25Å; Y539-I542 HydrophobicContact CE1-CD1 4.48Å; Y539-I542 PolarHBondContact O-N 3.4Å; Y539-D543 WeakPolarHBondContact O-CB 3.33Å; Y539-D543 PolarHBondContact O-N 2.7Å
540	H	55.2	Low	48.7	Very low	125 Å²	125	73 Å²	73	58%	0.579	36%	0.361	S	S	*	.	H	α-helix	trans	-61.9	-35.5	171.8	-169	-83.4	0	0	0	111.9	Q536 Q537 D543 C544	Q536-H540 WeakPolarHBondContact O-CB 3.34Å; Q536-H540 PolarHBondContact O-N 2.89Å; Q537-H540 PolarHBondContact O-N 3.48Å; H540-D543 PolarHBondContact O-N 3.37Å; H540-C544 WeakPolarHBondContact O-CB 3.28Å; H540-C544 PolarHBondContact O-N 3.38Å
541	L	51.3	Low	48.9	Very low	57 Å²	57	73.8 Å²	73.8	30%	0.298	37%	0.365	S	S	.	.	H	α-helix	trans	-67.7	-42.7	173.7	-172.4	74.7	0	0	0	111.9	Q537 Y538 Y539 D543 C544 L545 F617 C621	Q537-L541 WeakPolarHBondContact O-CB 3.22Å; Q537-L541 PolarHBondContact O-N 2.98Å; Y538-L541 WeakPolarHBondContact O-CB 3.04Å; Y538-L541 PolarHBondContact O-N 2.96Å; Y539-L541 VanDerWaalsContact C-N 3.26Å; Y539-L541 PolarHBondContact O-N 3.43Å; L541-D543 VanDerWaalsContact C-N 3.33Å; L541-C544 PolarHBondContact O-N 3.05Å; L541-L545 HydrophobicContact CG-CD1 4.2Å; L541-L545 WeakPolarHBondContact O-CB 3.31Å; L541-L545 WeakPolarHBondContact O-CG 3.44Å; L541-L545 PolarHBondContact O-N 3.4Å; L541-F617 HydrophobicContact CD1-CE1 4.39Å; L541-C621 HydrophobicContact CD1-CB 3.69Å; L541-C621 WeakPolarHBondContact CD1-SG 3.45Å
542	I	52.8	Low	48.8	Very low	29 Å²	29	75.2 Å²	75.2	15%	0.149	37%	0.372	C	S	.	.	H	α-helix	trans	-59.9	-46.1	173.3	-71.5	173.6	0	0	0	110.2	Y538 Y539 C544 L545 Q546 V553	Y538-I542 HydrophobicContact CD1-CD1 3.81Å; Y538-I542 HydrophobicContact CE1-CD1 3.32Å; Y538-I542 HydrophobicContact CE1-CG1 4.27Å; Y538-I542 WeakPolarHBondContact O-CG1 3.47Å; Y538-I542 PolarHBondContact O-N 3.32Å; Y539-I542 HydrophobicContact CD1-CD1 4.25Å; Y539-I542 HydrophobicContact CE1-CD1 4.48Å; Y539-I542 PolarHBondContact O-N 3.4Å; I542-C544 PolarHBondContact O-N 2.71Å; I542-L545 PolarHBondContact O-N 3.19Å; I542-Q546 HydrophobicContact CG2-CG 4.27Å; I542-Q546 WeakPolarHBondContact O-CB 3.17Å; I542-Q546 WeakPolarHBondContact O-CG 3.45Å; I542-Q546 PolarHBondContact O-N 2.84Å; I542-V553 HydrophobicContact CG2-CG2 4.44Å
543	D	54.4	Low	48.5	Very low	36 Å²	36	76.6 Å²	76.6	19%	0.193	38%	0.382	C	S	.	.	H	α-helix	trans	-61.5	-46	179.7	-166	18.3	0	0	0	110.4	Y539 H540 L541 L545 Q546 Q547	Y539-D543 WeakPolarHBondContact O-CB 3.33Å; Y539-D543 PolarHBondContact O-N 2.7Å; H540-D543 PolarHBondContact O-N 3.37Å; L541-D543 VanDerWaalsContact C-N 3.33Å; D543-L545 PolarHBondContact O-N 3.21Å; D543-Q546 PolarHBondContact O-N 2.94Å; D543-Q547 WeakPolarHBondContact O-CB 3.35Å; D543-Q547 WeakPolarHBondContact O-CG 3.49Å; D543-Q547 PolarHBondContact O-N 2.92Å; D543-Q547 PolarHBondContact OD1-NE2 2.88Å; D543-Q547 PolarHBondContact OD2-NE2 3.24Å; D543-Q547 VanDerWaalsContact OD2-NE2 3.12Å
544	C	52	Low	48	Very low	15 Å²	15	77.1 Å²	77.1	10%	0.101	40%	0.398	C	S	.	.	H	α-helix	trans	-64.4	-37.2	176	-150.4	0	0	0	0	112.7	H540 L541 I542 T548 F617	H540-C544 WeakPolarHBondContact O-CB 3.28Å; H540-C544 PolarHBondContact O-N 3.38Å; L541-C544 PolarHBondContact O-N 3.05Å; I542-C544 PolarHBondContact O-N 2.71Å; C544-T548 WeakPolarHBondContact O-CB 3.41Å; C544-T548 VanDerWaalsContact O-CG2 3.24Å; C544-T548 WeakPolarHBondContact O-CG2 3.2Å; C544-T548 PolarHBondContact O-N 3.42Å; C544-T548 PolarHBondContact O-OG1 3.41Å; C544-F617 HydrophobicContact CB-CE1 3.8Å; C544-F617 HydrophobicContact CB-CZ 3.75Å; C544-F617 WeakPolarHBondContact SG-CE1 3.42Å; C544-F617 WeakPolarHBondContact SG-CZ 3.33Å
545	L	49.1	Very low	47.5	Very low	71 Å²	71	78.2 Å²	78.2	37%	0.372	41%	0.405	S	S	.	.	H	α-helix	trans	-66.5	-41.4	174	-81	166	0	0	0	112.4	L541 I542 D543 T548 T549	L541-L545 HydrophobicContact CG-CD1 4.2Å; L541-L545 WeakPolarHBondContact O-CB 3.31Å; L541-L545 WeakPolarHBondContact O-CG 3.44Å; L541-L545 PolarHBondContact O-N 3.4Å; I542-L545 PolarHBondContact O-N 3.19Å; D543-L545 PolarHBondContact O-N 3.21Å; L545-T548 WeakPolarHBondContact CA-OG1 3.04Å; L545-T548 PolarHBondContact O-N 3.46Å; L545-T548 PolarHBondContact O-OG1 3.39Å; L545-T548 VanDerWaalsContact O-OG1 3.1Å; L545-T549 WeakPolarHBondContact O-CB 3.31Å; L545-T549 WeakPolarHBondContact O-CG2 3.3Å; L545-T549 PolarHBondContact O-N 3.45Å; L545-T549 PolarHBondContact O-OG1 3.42Å
546	Q	53.9	Low	46.6	Very low	41 Å²	41	85 Å²	85	19%	0.192	43%	0.433	C	S	.	.	H	α-helix	trans	-65.6	-43.5	175.7	-74.7	179.8	-8.5	0	0	110.9	I542 D543 T548 G550 V553	I542-Q546 HydrophobicContact CG2-CG 4.27Å; I542-Q546 WeakPolarHBondContact O-CB 3.17Å; I542-Q546 WeakPolarHBondContact O-CG 3.45Å; I542-Q546 PolarHBondContact O-N 2.84Å; D543-Q546 PolarHBondContact O-N 2.94Å; Q546-T548 VanDerWaalsContact C-N 3.25Å; Q546-T548 PolarHBondContact O-N 2.96Å; Q546-G550 PolarHBondContact O-N 3.37Å; Q546-G550 VanDerWaalsContact O-N 3.07Å; Q546-V553 HydrophobicContact CG-CG2 4.4Å
547	Q	50.8	Low	45.7	Very low	69 Å²	69	85.3 Å²	85.3	32%	0.322	44%	0.44	S	S	.	.	H	α-helix	trans	-61.6	-33.2	177.1	-71.9	174.4	30.4	0	0	112.5	D543	D543-Q547 WeakPolarHBondContact O-CB 3.35Å; D543-Q547 WeakPolarHBondContact O-CG 3.49Å; D543-Q547 PolarHBondContact O-N 2.92Å; D543-Q547 PolarHBondContact OD1-NE2 2.88Å; D543-Q547 PolarHBondContact OD2-NE2 3.24Å; D543-Q547 VanDerWaalsContact OD2-NE2 3.12Å
548	T	44.1	Very low	44.8	Very low	30 Å²	30	89.7 Å²	89.7	18%	0.184	46%	0.457	C	S	.	.	H	α-helix	trans	-91.3	-37.6	-175.8	49.2	0	0	0	0	114.3	C544 L545 Q546 L614	C544-T548 WeakPolarHBondContact O-CB 3.41Å; C544-T548 VanDerWaalsContact O-CG2 3.24Å; C544-T548 WeakPolarHBondContact O-CG2 3.2Å; C544-T548 PolarHBondContact O-N 3.42Å; C544-T548 PolarHBondContact O-OG1 3.41Å; L545-T548 WeakPolarHBondContact CA-OG1 3.04Å; L545-T548 PolarHBondContact O-N 3.46Å; L545-T548 PolarHBondContact O-OG1 3.39Å; L545-T548 VanDerWaalsContact O-OG1 3.1Å; Q546-T548 VanDerWaalsContact C-N 3.25Å; Q546-T548 PolarHBondContact O-N 2.96Å; T548-L614 HydrophobicContact CG2-CD2 3.22Å
549	T	44.6	Very low	43.8	Very low	69 Å²	69	92.3 Å²	92.3	42%	0.423	48%	0.479	S	S	.	.	H	α-helix	trans	-99.5	-21.4	-172.5	64.6	0	0	0	0	114.2	L545 L551	L545-T549 WeakPolarHBondContact O-CB 3.31Å; L545-T549 WeakPolarHBondContact O-CG2 3.3Å; L545-T549 PolarHBondContact O-N 3.45Å; L545-T549 PolarHBondContact O-OG1 3.42Å; T549-L551 PolarHBondContact O-N 3.42Å; T549-L551 VanDerWaalsContact O-N 3.15Å; T549-L551 PolarHBondContact OG1-N 2.93Å
550	G	40.4	Very low	42.6	Very low	38 Å²	38	92.2 Å²	92.2	39%	0.392	49%	0.494	S	S	.	.			trans	63.1	9.9	-172.2	0	0	0	0	0	114.1	Q546	Q546-G550 PolarHBondContact O-N 3.37Å; Q546-G550 VanDerWaalsContact O-N 3.07Å
551	L	42.2	Very low	41.3	Very low	109 Å²	109	92 Å²	92	57%	0.571	51%	0.507	S	S	*	.			trans	-86.9	126.2	175.6	-74.8	160.2	0	0	0	109.2	T549 V553	T549-L551 PolarHBondContact O-N 3.42Å; T549-L551 VanDerWaalsContact O-N 3.15Å; T549-L551 PolarHBondContact OG1-N 2.93Å; L551-V553 PolarHBondContact O-N 2.94Å
552	E	42.4	Very low	40.3	Very low	153 Å²	153	94.2 Å²	94.2	72%	0.715	53%	0.527	S	S	*	.			trans	-64.9	122.9	169.9	-79.2	-176.1	152.1	0	0	109.4	A554	E552-A554 PolarHBondContact O-N 3.33Å
553	V	39.5	Very low	39	Very low	84 Å²	84	97 Å²	97	51%	0.509	56%	0.564	S	S	.	*			trans	-82	102.4	161.3	-178.2	0	0	0	0	105.7	I542 Q546 L551 E555	I542-V553 HydrophobicContact CG2-CG2 4.44Å; Q546-V553 HydrophobicContact CG-CG2 4.4Å; L551-V553 PolarHBondContact O-N 2.94Å; V553-E555 PolarHBondContact O-N 3.44Å
554	A	35.1	Very low	37.8	Very low	90 Å²	90	102.1 Å²	102.1	74%	0.744	59%	0.591	S	S	*	*			trans	-60.3	122.8	173.7	0	0	0	0	0	109.5	E552 F556	E552-A554 PolarHBondContact O-N 3.33Å; A554-F556 PolarHBondContact O-N 3.11Å
555	E	35.4	Very low	36.6	Very low	128 Å²	128	109.7 Å²	109.7	60%	0.598	62%	0.622	S	S	*	*			trans	-65	117.1	176.3	-131.4	-178.5	177.5	0	0	109.3	V553 N557 K558	V553-E555 PolarHBondContact O-N 3.44Å; E555-N557 PolarHBondContact O-N 3.03Å; E555-N557 VanDerWaalsContact O-N 3.12Å; E555-K558 IonicContact OE2-NZ 3.67Å; E555-K558 PolarHBondContact OE2-NZ 3.16Å
556	F	31.7	Very low	35.6	Very low	200 Å²	200	113.6 Å²	113.6	88%	0.877	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	1.4	-178	-153	-97.2	0	0	0	113.9	A554	A554-F556 PolarHBondContact O-N 3.11Å
557	N	32.2	Very low	34.3	Very low	143 Å²	143	123.2 Å²	123.2	77%	0.765	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.3	24.4	-169.7	-76.9	-21	0	0	0	115.6	E555	E555-N557 PolarHBondContact O-N 3.03Å; E555-N557 VanDerWaalsContact O-N 3.12Å
558	K	31.3	Very low	33.2	Very low	159 Å²	159	128.2 Å²	128.2	69%	0.691	71%	0.705	S	S	*	*	S	Bend	trans	-115	13.8	175.4	-94.3	175.4	-174.9	139.3	0	115.8	E555	E555-K558 IonicContact OE2-NZ 3.67Å; E555-K558 PolarHBondContact OE2-NZ 3.16Å
559	L	28.6	Very low	32.3	Very low	183 Å²	183	132.8 Å²	132.8	96%	0.958	73%	0.733	S	S	*	*	S	Bend	trans	-113.4	43.5	174.2	-76.3	160.5	0	0	0	111.8
560	S	28.6	Very low	31.4	Very low	107 Å²	107	137 Å²	137	75%	0.748	75%	0.753	S	S	*	*	S	Bend	trans	-162.5	126.5	160.7	-176.8	0	0	0	0	107
561	S	27.4	Very low	31	Very low	121 Å²	121	144.6 Å²	144.6	85%	0.846	78%	0.781	S	S	*	*	S	Bend	trans	77.7	76	-175.9	-158.4	0	0	0	0	116.5
562	S	29	Very low	30.1	Very low	103 Å²	103	149 Å²	149	72%	0.72	80%	0.795	S	S	*	*			trans	-178.3	72.5	133	-179	0	0	0	0	109.2	N564	S562-N564 PolarHBondContact O-N 3.34Å
563	G	25.9	Very low	29.5	Very low	89 Å²	89	149.8 Å²	149.8	92%	0.918	80%	0.803	S	S	*	*			trans	-74.2	69.1	160.8	0	0	0	0	0	109.4
564	N	29.5	Very low	28.8	Very low	142 Å²	142	152.6 Å²	152.6	76%	0.759	82%	0.815	S	S	*	*			trans	-105.9	105.1	174.3	-137.5	-7.5	0	0	0	110.4	S562	S562-N564 PolarHBondContact O-N 3.34Å
565	K	27.5	Very low	28.6	Very low	175 Å²	175	154.5 Å²	154.5	76%	0.761	82%	0.818	S	S	*	*			trans	-58.7	148.7	168.5	-68.5	166.7	177	167.7	0	108.9
566	N	27.9	Very low	28.3	Very low	152 Å²	152	154.5 Å²	154.5	81%	0.813	83%	0.832	S	S	*	*			trans	85.4	82.4	164.1	-48.9	-24.6	0	0	0	117
567	R	26.3	Very low	28.3	Very low	244 Å²	244	148.3 Å²	148.3	92%	0.921	83%	0.825	S	S	*	*			trans	-167.8	68.9	142	-120.5	177	-178.4	-179.7	1.1	113.8
568	I	27	Very low	28.2	Very low	174 Å²	174	150.7 Å²	150.7	89%	0.892	83%	0.828	S	S	*	*			trans	-138.3	85.6	152.4	-54.9	-179.3	0	0	0	107.6
569	T	26.3	Very low	28.2	Very low	125 Å²	125	150.8 Å²	150.8	77%	0.767	84%	0.836	S	S	*	*			trans	-130.9	108.2	159.6	40.7	0	0	0	0	106.9
570	N	26.3	Very low	28	Very low	159 Å²	159	148.2 Å²	148.2	85%	0.85	83%	0.828	S	S	*	*			trans	165.9	89.2	141.3	-82.6	-19.3	0	0	0	110.2
571	M	30.1	Very low	28	Very low	197 Å²	197	152.3 Å²	152.3	97%	0.97	84%	0.835	S	S	*	*			trans	-159.7	120.1	132.1	-113.4	174.1	177.8	0	0	109.1
572	K	24.8	Very low	27.7	Very low	200 Å²	200	157.8 Å²	157.8	87%	0.87	84%	0.837	S	S	*	*			trans	-56.4	140.5	-178.8	-76.6	162.9	165.3	171.6	0	111.7
573	L	28.8	Very low	27.7	Very low	170 Å²	170	158 Å²	158	89%	0.89	84%	0.837	S	S	*	*				-166.2	110.8	124.9	-101.7	147.8	0	0	0	111.1
574	N	26	Very low	27.6	Very low	143 Å²	143	163.1 Å²	163.1	77%	0.765	83%	0.834	S	S	*	*			trans	-11.8	127.2	158.3	-72.8	-16.5	0	0	0	117.3
575	T	30.7	Very low	27.3	Very low	130 Å²	130	161.5 Å²	161.5	80%	0.798	83%	0.833	S	S	*	*				175.8	120.8	87.4	30.9	0	0	0	0	111.6
576	S	29.3	Very low	27.3	Very low	129 Å²	129	162.4 Å²	162.4	90%	0.902	84%	0.837	S	S	*	*			trans	33.5	123.9	137.8	-150.3	0	0	0	0	121.2
577	G	30.5	Very low	27	Very low	69 Å²	69	162.4 Å²	162.4	71%	0.711	84%	0.837	S	S	*	*			trans	156.5	57.1	152	0	0	0	0	0	120.1
578	K	30.3	Very low	27	Very low	194 Å²	194	155.8 Å²	155.8	84%	0.843	83%	0.828	S	S	*	*			trans	47.8	124.7	144.2	-67.8	-179.8	177.9	175.8	0	121.9
579	N	30.8	Very low	26.8	Very low	160 Å²	160	153.9 Å²	153.9	86%	0.856	83%	0.825	S	S	*	*			trans	96.3	119.2	135.3	-73.6	-17.2	0	0	0	120.6
580	V	24.9	Very low	26.8	Very low	130 Å²	130	153.5 Å²	153.5	79%	0.788	83%	0.828	S	S	*	*			trans	-87.9	130.2	177.7	168.3	0	0	0	0	109.6
581	Q	29.1	Very low	26.8	Very low	192 Å²	192	150.8 Å²	150.8	90%	0.897	82%	0.821	S	S	*	*			trans	-166.3	125.6	141.7	-118	140.3	-11.9	0	0	112.3
582	R	21.4	Very low	26.6	Very low	236 Å²	236	147 Å²	147	89%	0.891	81%	0.814	S	S	*	*			trans	-66.2	171.2	161.3	-71.8	-179	177.4	-172.6	-1.1	109.8
583	P	27.9	Very low	26.7	Very low	109 Å²	109	140.9 Å²	140.9	71%	0.708	81%	0.808	S	S	*	*			cis	-142.1	-178.9	6.2	31.8	-7.5	0	0	0	116.4
584	K	23.8	Very low	26.6	Very low	196 Å²	196	140.8 Å²	140.8	85%	0.852	80%	0.803	S	S	*	*			trans	67.7	124.4	148.1	-78.8	173.1	-176.5	-175.3	0	121.3
585	S	24.3	Very low	26.6	Very low	107 Å²	107	142.4 Å²	142.4	75%	0.748	81%	0.811	S	S	*	*			trans	94.7	145	144.7	81.1	0	0	0	0	119.6
586	F	25.8	Very low	26.4	Very low	195 Å²	195	143 Å²	143	86%	0.855	80%	0.804	S	S	*	*			trans	93.5	115.9	161.6	-87	-92.5	0	0	0	120.7
587	N	22.4	Very low	26.4	Very low	151 Å²	151	142.5 Å²	142.5	81%	0.807	80%	0.801	S	S	*	*			trans	-49.8	138.8	161.8	-66.1	-29.9	0	0	0	112.4
588	S	26.1	Very low	26.2	Very low	105 Å²	105	146.9 Å²	146.9	73%	0.734	80%	0.803	S	S	*	*				171.5	116.2	118.9	57.2	0	0	0	0	110.3
589	T	23.9	Very low	25.9	Very low	134 Å²	134	143 Å²	143	82%	0.822	80%	0.797	S	S	*	*			trans	34.1	112.1	138.1	54.3	0	0	0	0	119
590	S	25.8	Very low	25.7	Very low	118 Å²	118	142.8 Å²	142.8	83%	0.825	80%	0.795	S	S	*	*				-177.6	146.1	110.1	65.7	0	0	0	0	112.2
591	S	26.3	Very low	25.8	Very low	101 Å²	101	143.8 Å²	143.8	71%	0.706	80%	0.796	S	S	*	*			trans	83.1	96.8	148.5	-153.1	0	0	0	0	119.6
592	S	25.9	Very low	25.6	Very low	117 Å²	117	142.3 Å²	142.3	82%	0.818	79%	0.791	S	S	*	*				75.3	111.1	120.3	-46.7	0	0	0	0	119
593	G	27.6	Very low	25.8	Very low	73 Å²	73	136.9 Å²	136.9	75%	0.753	78%	0.784	S	S	*	*			trans	150.4	65.4	160.6	0	0	0	0	0	113.5	L595	G593-L595 PolarHBondContact O-N 3.47Å; G593-L595 VanDerWaalsContact O-N 3.1Å
594	E	25.3	Very low	26	Very low	168 Å²	168	137.2 Å²	137.2	79%	0.785	79%	0.786	S	S	*	*			trans	-55	109.3	166.2	-73.3	172.4	120.4	0	0	110.1	Q596	E594-Q596 VanDerWaalsContact C-N 3.27Å; E594-Q596 PolarHBondContact O-N 3.19Å
595	L	27.3	Very low	26.3	Very low	177 Å²	177	133.2 Å²	133.2	93%	0.927	78%	0.777	S	S	*	*			trans	-89.1	74.5	155.5	-113.5	91.5	0	0	0	107.7	G593 S597	G593-L595 PolarHBondContact O-N 3.47Å; G593-L595 VanDerWaalsContact O-N 3.1Å; L595-S597 PolarHBondContact O-N 3.44Å
596	Q	26.7	Very low	26.5	Very low	141 Å²	141	139.4 Å²	139.4	66%	0.659	78%	0.784	S	S	*	*			trans	-67.7	116.8	156.2	-87.9	175.5	-1.8	0	0	107.4	E594 Q598	E594-Q596 VanDerWaalsContact C-N 3.27Å; E594-Q596 PolarHBondContact O-N 3.19Å; Q596-Q598 PolarHBondContact O-N 3.41Å
597	S	28.5	Very low	27	Very low	120 Å²	120	134.9 Å²	134.9	84%	0.839	76%	0.762	S	S	*	*			trans	-60.7	89.1	162.3	39.7	0	0	0	0	108.8	L595	L595-S597 PolarHBondContact O-N 3.44Å
598	Q	25.6	Very low	27.5	Very low	160 Å²	160	137.1 Å²	137.1	75%	0.748	76%	0.764	S	S	*	*			trans	-63.3	135.4	169.8	-73.4	-172.9	-5.1	0	0	109.3	Q596 I600	Q596-Q598 PolarHBondContact O-N 3.41Å; Q598-I600 PolarHBondContact O-N 2.99Å
599	P	25.3	Very low	28.2	Very low	112 Å²	112	136.5 Å²	136.5	73%	0.727	76%	0.76	S	S	*	*			trans	-63.8	125.7	169.4	27	-30.8	0	0	0	108.2	N601	P599-N601 PolarHBondContact O-N 3.39Å
600	I	26.3	Very low	29.2	Very low	157 Å²	157	133 Å²	133	81%	0.805	73%	0.733	S	S	*	*			trans	-61.6	107.4	172.4	-62.5	172.1	0	0	0	107.2	Q598 M602	Q598-I600 PolarHBondContact O-N 2.99Å; I600-M602 PolarHBondContact O-N 3.36Å
601	N	25.6	Very low	30.2	Very low	150 Å²	150	131.6 Å²	131.6	80%	0.802	72%	0.716	S	S	*	*			trans	-59.1	104	170.8	-94.7	-32.6	0	0	0	109.3	P599 V603	P599-N601 PolarHBondContact O-N 3.39Å; N601-V603 PolarHBondContact O-N 2.79Å
602	M	26.7	Very low	31.5	Very low	161 Å²	161	130.3 Å²	130.3	79%	0.793	71%	0.707	S	S	*	*			trans	-78	104.8	166.7	-69.8	-165.5	-71	0	0	109	I600	I600-M602 PolarHBondContact O-N 3.36Å
603	V	25.7	Very low	32.7	Very low	122 Å²	122	125.6 Å²	125.6	74%	0.739	67%	0.674	S	S	*	*			trans	-74.8	124	168.5	179.6	0	0	0	0	108.4	N601 V605	N601-V603 PolarHBondContact O-N 2.79Å; V603-V605 PolarHBondContact O-N 3.44Å; V603-V605 VanDerWaalsContact O-N 3.14Å
604	P	30.2	Very low	33.8	Very low	117 Å²	117	125 Å²	125	76%	0.76	65%	0.654	S	S	*	*			trans	-74.1	107.5	179.6	29	-32.7	0	0	0	110.3	R606	P604-R606 PolarHBondContact O-N 2.9Å
605	V	31	Very low	35.3	Very low	111 Å²	111	125 Å²	125	67%	0.673	65%	0.646	S	S	*	*			trans	-68.5	115.2	169.5	178.9	0	0	0	0	108.8	V603 R607	V603-V605 PolarHBondContact O-N 3.44Å; V603-V605 VanDerWaalsContact O-N 3.14Å; V605-R607 PolarHBondContact O-N 2.89Å
606	R	27.9	Very low	36.9	Very low	237 Å²	237	124.5 Å²	124.5	89%	0.894	63%	0.632	S	S	*	*			trans	-62.8	99.6	176	-80.7	178.3	169.8	172.8	-2.1	110.8	P604	P604-R606 PolarHBondContact O-N 2.9Å
607	R	35.9	Very low	38.4	Very low	101 Å²	101	118.4 Å²	118.4	38%	0.381	60%	0.603	S	S	.	*			trans	-126.9	87.2	162.4	-76.9	-176.6	175.7	149	-1.5	109.8	E453 V605 S609	E453-R607 IonicContact OE1-CZ 3.62Å; E453-R607 IonicContact OE1-NH1 2.85Å; E453-R607 PolarHBondContact OE1-NH1 3.37Å; E453-R607 IonicContact OE1-NH2 3.55Å; V605-R607 PolarHBondContact O-N 2.89Å; R607-S609 VanDerWaalsContact C-N 3.32Å; R607-S609 PolarHBondContact O-N 2.75Å
608	K	34.6	Very low	39.7	Very low	198 Å²	198	115.5 Å²	115.5	86%	0.861	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	-19.8	-177.4	-82.5	-176.1	175.5	-179.6	0	114.4
609	S	40.9	Very low	41.6	Very low	91 Å²	91	112.1 Å²	112.1	64%	0.636	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-45.5	-176.3	55.3	0	0	0	0	113.9	R607 L611 S612	R607-S609 VanDerWaalsContact C-N 3.32Å; R607-S609 PolarHBondContact O-N 2.75Å; S609-L611 VanDerWaalsContact C-N 3.25Å; S609-L611 PolarHBondContact O-N 3.07Å; S609-S612 PolarHBondContact O-N 3Å; S609-S612 PolarHBondContact O-OG 2.82Å
610	K	44.6	Very low	43.4	Very low	61 Å²	61	107.9 Å²	107.9	27%	0.265	55%	0.546	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-16.1	179.4	-74.4	-170.7	174.3	-174.3	0	114.4	E491 S612 S613	E491-K610 VanDerWaalsContact CD-NZ 3.29Å; E491-K610 IonicContact OE1-NZ 2.68Å; E491-K610 PolarHBondContact OE1-NZ 3.43Å; E491-K610 IonicContact OE2-NZ 3.32Å; E491-K610 PolarHBondContact OE2-NZ 2.93Å; K610-S612 PolarHBondContact O-N 3.47Å; K610-S613 PolarHBondContact O-OG 3.31Å
611	L	46.7	Very low	44.9	Very low	88 Å²	88	101.7 Å²	101.7	46%	0.461	52%	0.517	S	S	.	.	H	α-helix	trans	-68.5	-19.1	175.8	-114.8	85	0	0	0	113.3	S609 R615	S609-L611 VanDerWaalsContact C-N 3.25Å; S609-L611 PolarHBondContact O-N 3.07Å; L611-R615 WeakPolarHBondContact O-CB 3.46Å; L611-R615 WeakPolarHBondContact O-CG 3.23Å; L611-R615 PolarHBondContact O-N 2.59Å
612	S	52.6	Low	46.7	Very low	75 Å²	75	99.6 Å²	99.6	52%	0.524	50%	0.502	S	S	.	.	H	α-helix	trans	-77.6	-44.9	-174.2	65	0	0	0	0	113.1	S609 K610 R615 R616	S609-S612 PolarHBondContact O-N 3Å; S609-S612 PolarHBondContact O-OG 2.82Å; K610-S612 PolarHBondContact O-N 3.47Å; S612-R615 PolarHBondContact O-N 3.33Å; S612-R616 PolarHBondContact O-N 3.43Å
613	S	51.1	Low	48.4	Very low	17 Å²	17	99.7 Å²	99.7	12%	0.119	49%	0.493	C	S	.	.	H	α-helix	trans	-65.9	-42.4	177.1	46.2	0	0	0	0	111.4	E495 K610 R616 F617	E495-S613 PolarHBondContact OE1-OG 3.23Å; K610-S613 PolarHBondContact O-OG 3.31Å; S613-R616 WeakPolarHBondContact O-CB 3.44Å; S613-R616 PolarHBondContact O-N 3.21Å; S613-F617 PolarHBondContact O-N 3.04Å
614	L	51.7	Low	50	Low	62 Å²	62	97.6 Å²	97.6	33%	0.325	47%	0.472	S	S	.	.	H	α-helix	trans	-65.5	-39.2	175.9	-62.5	-174.5	0	0	0	113.7	T548 R616 F617 S618	T548-L614 HydrophobicContact CG2-CD2 3.22Å; L614-R616 VanDerWaalsContact C-N 3.35Å; L614-F617 PolarHBondContact O-N 3.31Å; L614-S618 WeakPolarHBondContact O-CB 3.27Å; L614-S618 PolarHBondContact O-N 3.11Å
615	R	56.1	Low	51.3	Low	168 Å²	168	100 Å²	100	63%	0.634	47%	0.466	S	S	*	.	H	α-helix	trans	-63.8	-41.1	173.2	-81.4	178	-173.4	-169.1	2.5	111.4	L611 S612 T619	L611-R615 WeakPolarHBondContact O-CB 3.46Å; L611-R615 WeakPolarHBondContact O-CG 3.23Å; L611-R615 PolarHBondContact O-N 2.59Å; S612-R615 PolarHBondContact O-N 3.33Å; R615-T619 WeakPolarHBondContact O-CB 3.47Å; R615-T619 PolarHBondContact O-N 3.03Å; R615-T619 PolarHBondContact O-OG1 3.35Å
616	R	61.1	Low	52.9	Low	165 Å²	165	103.8 Å²	103.8	62%	0.623	47%	0.468	S	S	*	.	H	α-helix	trans	-60.8	-49.3	175.1	-84.8	-176.6	179.9	170.1	0.2	111.5	E499 S612 S613 L614 T619 C620	E499-R616 IonicContact OE1-NH1 3.95Å; S612-R616 PolarHBondContact O-N 3.43Å; S613-R616 WeakPolarHBondContact O-CB 3.44Å; S613-R616 PolarHBondContact O-N 3.21Å; L614-R616 VanDerWaalsContact C-N 3.35Å; R616-T619 PolarHBondContact O-N 3.32Å; R616-C620 WeakPolarHBondContact O-CB 3.35Å; R616-C620 PolarHBondContact O-N 3.12Å
617	F	57.9	Low	54.3	Low	14 Å²	14	94.7 Å²	94.7	6%	0.061	43%	0.434	C	S	.	.	H	α-helix	trans	-60.1	-49.3	179	-174.6	-103.5	0	0	0	112.1	V498 F501 L541 C544 S613 L614 T619 C620 C621	V498-F617 HydrophobicContact CG1-CB 4.18Å; V498-F617 HydrophobicContact CG1-CD2 3.9Å; V498-F617 HydrophobicContact CG1-CG 4.31Å; F501-F617 HydrophobicContact CD1-CD2 4.45Å; F501-F617 AromaticContact CD1-CE2 3.97Å; F501-F617 HydrophobicContact CD1-CE2 3.97Å; F501-F617 AromaticContact CE1-CE2 3.97Å; F501-F617 HydrophobicContact CE1-CE2 3.97Å; L541-F617 HydrophobicContact CD1-CE1 4.39Å; C544-F617 HydrophobicContact CB-CE1 3.8Å; C544-F617 HydrophobicContact CB-CZ 3.75Å; C544-F617 WeakPolarHBondContact SG-CE1 3.42Å; C544-F617 WeakPolarHBondContact SG-CZ 3.33Å; S613-F617 PolarHBondContact O-N 3.04Å; L614-F617 PolarHBondContact O-N 3.31Å; F617-T619 VanDerWaalsContact C-N 3.31Å; F617-T619 PolarHBondContact O-N 3.34Å; F617-C620 WeakPolarHBondContact O-CB 3.35Å; F617-C620 PolarHBondContact O-N 3.23Å; F617-C620 VanDerWaalsContact O-N 3.11Å; F617-C621 VanDerWaalsContact CZ-SG 3.59Å; F617-C621 PolarHBondContact O-N 3.02Å; F617-C621 PolarHBondContact O-SG 3.41Å; F617-C621 VanDerWaalsContact O-SG 3.35Å
618	S	57.1	Low	55.2	Low	59 Å²	59	92.9 Å²	92.9	41%	0.413	43%	0.431	S	S	.	.	H	α-helix	trans	-57	-42.7	175.3	175.5	0	0	0	0	112.5	L614 C621 H622	L614-S618 WeakPolarHBondContact O-CB 3.27Å; L614-S618 PolarHBondContact O-N 3.11Å; S618-C621 PolarHBondContact O-N 3.3Å; S618-H622 WeakPolarHBondContact O-CB 3.47Å; S618-H622 PolarHBondContact O-N 3.28Å
619	T	65.3	Low	56.3	Low	88 Å²	88	87 Å²	87	54%	0.54	41%	0.408	S	S	.	.	H	α-helix	trans	-64.9	-40.3	177.5	-52.7	0	0	0	0	111.4	R615 R616 F617 H622 R623	R615-T619 WeakPolarHBondContact O-CB 3.47Å; R615-T619 PolarHBondContact O-N 3.03Å; R615-T619 PolarHBondContact O-OG1 3.35Å; R616-T619 PolarHBondContact O-N 3.32Å; F617-T619 VanDerWaalsContact C-N 3.31Å; F617-T619 PolarHBondContact O-N 3.34Å; T619-H622 PolarHBondContact O-N 3.32Å; T619-R623 WeakPolarHBondContact O-CB 3.37Å; T619-R623 PolarHBondContact O-N 3.46Å
620	C	62.6	Low	57.2	Low	23 Å²	23	91.5 Å²	91.5	16%	0.155	41%	0.412	C	S	.	.	H	α-helix	trans	-62.1	-49.8	176.3	-164	0	0	0	0	111.3	R616 F617 H622 R623 R624	R616-C620 WeakPolarHBondContact O-CB 3.35Å; R616-C620 PolarHBondContact O-N 3.12Å; F617-C620 WeakPolarHBondContact O-CB 3.35Å; F617-C620 PolarHBondContact O-N 3.23Å; F617-C620 VanDerWaalsContact O-N 3.11Å; C620-H622 PolarHBondContact O-N 3.36Å; C620-R623 PolarHBondContact O-N 3.26Å; C620-R624 PolarHBondContact O-N 2.85Å
621	C	57.7	Low	57.7	Low	28 Å²	28	90.8 Å²	90.8	19%	0.189	41%	0.411	C	S	.	.	H	α-helix	trans	-62.4	-41.8	177.4	-63.8	0	0	0	0	112.5	L541 F617 S618 R623 R624 R625	L541-C621 HydrophobicContact CD1-CB 3.69Å; L541-C621 WeakPolarHBondContact CD1-SG 3.45Å; F617-C621 VanDerWaalsContact CZ-SG 3.59Å; F617-C621 PolarHBondContact O-N 3.02Å; F617-C621 PolarHBondContact O-SG 3.41Å; F617-C621 VanDerWaalsContact O-SG 3.35Å; S618-C621 PolarHBondContact O-N 3.3Å; C621-R623 VanDerWaalsContact C-N 3.34Å; C621-R623 PolarHBondContact O-N 2.86Å; C621-R624 PolarHBondContact O-N 3.45Å; C621-R625 WeakPolarHBondContact O-CB 3.39Å; C621-R625 PolarHBondContact O-N 2.92Å
622	H	62.2	Low	58	Low	106 Å²	106	92.1 Å²	92.1	49%	0.491	42%	0.415	S	S	.	.	H	α-helix	trans	-64.5	-38	175.9	-106.5	-55.9	0	0	0	112.7	S618 T619 C620 R625 R626	S618-H622 WeakPolarHBondContact O-CB 3.47Å; S618-H622 PolarHBondContact O-N 3.28Å; T619-H622 PolarHBondContact O-N 3.32Å; C620-H622 PolarHBondContact O-N 3.36Å; H622-R625 PolarHBondContact O-N 3.16Å; H622-R626 WeakPolarHBondContact O-CG 3.19Å; H622-R626 PolarHBondContact O-N 3.36Å
623	R	64.3	Low	57.8	Low	162 Å²	162	92.1 Å²	92.1	61%	0.611	41%	0.411	S	S	*	.	H	α-helix	trans	-65.4	-43.4	176.7	-170.7	178.2	-100.3	-174.1	-7.7	110.7	T619 C620 C621 R626 Y627	T619-R623 WeakPolarHBondContact O-CB 3.37Å; T619-R623 PolarHBondContact O-N 3.46Å; C620-R623 PolarHBondContact O-N 3.26Å; C621-R623 VanDerWaalsContact C-N 3.34Å; C621-R623 PolarHBondContact O-N 2.86Å; R623-R626 PolarHBondContact O-N 3.3Å; R623-Y627 PolarHBondContact O-N 2.87Å
624	R	58.8	Low	57.7	Low	78 Å²	78	96.7 Å²	96.7	29%	0.294	43%	0.429	S	S	.	.	H	α-helix	trans	-63.5	-44.2	174.5	-169.1	175.1	-174.3	152.5	-3.7	112.5	E505 C620 C621 R626 Y627 M628	E505-R624 IonicContact OE1-CZ 3.73Å; E505-R624 IonicContact OE1-NH1 3.59Å; E505-R624 PolarHBondContact OE1-NH1 2.85Å; E505-R624 WeakPolarHBondContact OE2-CD 3.4Å; E505-R624 IonicContact OE2-CZ 3.65Å; E505-R624 IonicContact OE2-NE 3.5Å; E505-R624 IonicContact OE2-NH1 3.65Å; E505-R624 PolarHBondContact OE2-NH1 3.44Å; C620-R624 PolarHBondContact O-N 2.85Å; C621-R624 PolarHBondContact O-N 3.45Å; R624-R626 VanDerWaalsContact C-N 3.27Å; R624-R626 PolarHBondContact O-N 3.41Å; R624-Y627 WeakPolarHBondContact O-CB 3.39Å; R624-Y627 PolarHBondContact O-N 3.19Å; R624-Y627 VanDerWaalsContact O-N 3.1Å; R624-M628 HydrophobicContact CG-CG 4.39Å; R624-M628 WeakPolarHBondContact O-CG 3.24Å; R624-M628 PolarHBondContact O-N 2.91Å
625	R	56.7	Low	57.1	Low	168 Å²	168	98 Å²	98	63%	0.634	44%	0.436	S	S	*	.	H	α-helix	trans	-57.9	-39.8	175	-172	176.2	-178.7	-177.8	1.3	112	C621 H622 N629	C621-R625 WeakPolarHBondContact O-CB 3.39Å; C621-R625 PolarHBondContact O-N 2.92Å; H622-R625 PolarHBondContact O-N 3.16Å; R625-N629 WeakPolarHBondContact O-CB 3.41Å; R625-N629 VanDerWaalsContact O-CG 3.3Å; R625-N629 PolarHBondContact O-N 3.32Å; R625-N629 PolarHBondContact O-OD1 2.54Å
626	R	64.2	Low	56.2	Low	190 Å²	190	92.8 Å²	92.8	72%	0.717	43%	0.425	S	S	*	.	H	α-helix	trans	-66.5	-40.6	174.8	-78.7	-175.4	177.4	-178.3	0.6	112.7	H622 R623 R624 R630	H622-R626 WeakPolarHBondContact O-CG 3.19Å; H622-R626 PolarHBondContact O-N 3.36Å; R623-R626 PolarHBondContact O-N 3.3Å; R624-R626 VanDerWaalsContact C-N 3.27Å; R624-R626 PolarHBondContact O-N 3.41Å; R626-R630 PolarHBondContact O-N 3.47Å; R626-R630 VanDerWaalsContact O-N 3.1Å
627	Y	58.2	Low	55.3	Low	47 Å²	47	90.2 Å²	90.2	18%	0.184	42%	0.424	C	S	.	.	H	α-helix	trans	-63	-46.8	176.9	-170.3	-94.2	0	0	0	111.2	R623 R624 R630 N631	R623-Y627 PolarHBondContact O-N 2.87Å; R624-Y627 WeakPolarHBondContact O-CB 3.39Å; R624-Y627 PolarHBondContact O-N 3.19Å; R624-Y627 VanDerWaalsContact O-N 3.1Å; Y627-R630 WeakPolarHBondContact O-CB 3.4Å; Y627-R630 PolarHBondContact O-N 2.96Å; Y627-N631 WeakPolarHBondContact CE1-ND2 3.45Å; Y627-N631 PolarHBondContact O-N 3.11Å
628	M	54.8	Low	54.5	Low	62 Å²	62	93.4 Å²	93.4	31%	0.305	45%	0.448	S	S	.	.	H	α-helix	trans	-64.1	-44.8	177.9	-64.1	-64.5	-111	0	0	112.4	R624 R630 N631 Q632	R624-M628 HydrophobicContact CG-CG 4.39Å; R624-M628 WeakPolarHBondContact O-CG 3.24Å; R624-M628 PolarHBondContact O-N 2.91Å; M628-R630 VanDerWaalsContact C-N 3.27Å; M628-R630 PolarHBondContact O-N 2.91Å; M628-N631 PolarHBondContact O-N 3.43Å; M628-N631 VanDerWaalsContact O-N 3.12Å; M628-Q632 PolarHBondContact O-N 3.36Å
629	N	57.1	Low	53.5	Low	74 Å²	74	94 Å²	94	40%	0.396	45%	0.451	S	S	.	.	H	α-helix	trans	-60.4	-37.1	176.1	-78	5.8	0	0	0	111.9	R625 Q632 T633	R625-N629 WeakPolarHBondContact O-CB 3.41Å; R625-N629 VanDerWaalsContact O-CG 3.3Å; R625-N629 PolarHBondContact O-N 3.32Å; R625-N629 PolarHBondContact O-OD1 2.54Å; N629-Q632 PolarHBondContact O-N 3.06Å; N629-T633 WeakPolarHBondContact O-CB 3.48Å; N629-T633 PolarHBondContact O-N 2.71Å; N629-T633 PolarHBondContact O-OG1 3.27Å
630	R	60	Low	52.3	Low	186 Å²	186	94.7 Å²	94.7	70%	0.702	45%	0.452	S	S	*	.	H	α-helix	trans	-61.5	-43.6	174.4	-87.3	-176.3	177.6	-177.2	-1.4	111.6	R626 Y627 M628 T633 K634	R626-R630 PolarHBondContact O-N 3.47Å; R626-R630 VanDerWaalsContact O-N 3.1Å; Y627-R630 WeakPolarHBondContact O-CB 3.4Å; Y627-R630 PolarHBondContact O-N 2.96Å; M628-R630 VanDerWaalsContact C-N 3.27Å; M628-R630 PolarHBondContact O-N 2.91Å; R630-T633 PolarHBondContact O-N 3.48Å; R630-K634 WeakPolarHBondContact O-CG 3.27Å; R630-K634 PolarHBondContact O-N 3.14Å
631	N	55.7	Low	51.3	Low	46 Å²	46	98.3 Å²	98.3	25%	0.246	47%	0.473	C	S	.	.	H	α-helix	trans	-68.9	-39.6	179.3	-71.6	-7.2	0	0	0	111.9	Y627 M628 T633 K634 L635	Y627-N631 WeakPolarHBondContact CE1-ND2 3.45Å; Y627-N631 PolarHBondContact O-N 3.11Å; M628-N631 PolarHBondContact O-N 3.43Å; M628-N631 VanDerWaalsContact O-N 3.12Å; N631-T633 VanDerWaalsContact C-N 3.3Å; N631-T633 PolarHBondContact O-N 2.87Å; N631-K634 PolarHBondContact O-N 2.94Å; N631-L635 WeakPolarHBondContact O-CD1 3.46Å; N631-L635 PolarHBondContact O-N 3.28Å
632	Q	52.6	Low	50.4	Low	116 Å²	116	104.9 Å²	104.9	54%	0.542	50%	0.501	S	S	.	.	H	α-helix	trans	-64.3	-34.8	175.4	-140.7	171.4	18.5	0	0	112.4	M628 N629 L635 S636	M628-Q632 PolarHBondContact O-N 3.36Å; N629-Q632 PolarHBondContact O-N 3.06Å; Q632-L635 PolarHBondContact O-N 3.28Å; Q632-S636 PolarHBondContact O-N 3.08Å; Q632-S636 PolarHBondContact O-OG 3.44Å
633	T	48.7	Very low	49.2	Very low	75 Å²	75	108 Å²	108	46%	0.46	52%	0.516	S	S	.	.	H	α-helix	trans	-74.3	-35.6	175.4	-38.7	0	0	0	0	111.8	N629 R630 N631 L635 S636 L637	N629-T633 WeakPolarHBondContact O-CB 3.48Å; N629-T633 PolarHBondContact O-N 2.71Å; N629-T633 PolarHBondContact O-OG1 3.27Å; R630-T633 PolarHBondContact O-N 3.48Å; N631-T633 VanDerWaalsContact C-N 3.3Å; N631-T633 PolarHBondContact O-N 2.87Å; T633-L635 VanDerWaalsContact C-N 3.31Å; T633-S636 PolarHBondContact O-N 3.25Å; T633-S636 PolarHBondContact O-OG 3.11Å; T633-L637 HydrophobicContact CG2-CD1 4.07Å; T633-L637 WeakPolarHBondContact O-CB 3.09Å; T633-L637 PolarHBondContact O-N 3.38Å
634	K	48.2	Very low	47.8	Very low	113 Å²	113	105.4 Å²	105.4	49%	0.491	52%	0.518	S	S	.	.	H	α-helix	trans	-63.5	-37.3	171.9	-75.8	-179.9	-178.6	178.1	0	111.5	E516 R630 N631 S638	E516-K634 IonicContact OE1-NZ 3.53Å; E516-K634 PolarHBondContact OE1-NZ 3.41Å; R630-K634 WeakPolarHBondContact O-CG 3.27Å; R630-K634 PolarHBondContact O-N 3.14Å; N631-K634 PolarHBondContact O-N 2.94Å; K634-S638 WeakPolarHBondContact O-CB 3.19Å; K634-S638 PolarHBondContact O-N 3.12Å; K634-S638 VanDerWaalsContact O-N 3.12Å; K634-S638 PolarHBondContact O-OG 3.11Å
635	L	40.1	Very low	46.7	Very low	91 Å²	91	110.2 Å²	110.2	48%	0.476	54%	0.543	S	S	.	.	H	α-helix	trans	-67.5	-41.5	175.4	-88.2	145.1	0	0	0	112.7	N631 Q632 T633 S639	N631-L635 WeakPolarHBondContact O-CD1 3.46Å; N631-L635 PolarHBondContact O-N 3.28Å; Q632-L635 PolarHBondContact O-N 3.28Å; T633-L635 VanDerWaalsContact C-N 3.31Å; L635-S639 PolarHBondContact O-N 3.2Å; L635-S639 PolarHBondContact O-OG 3.12Å
636	S	37.6	Very low	45.5	Very low	57 Å²	57	108 Å²	108	40%	0.399	55%	0.554	S	S	.	*	H	α-helix	trans	-76.4	-23.5	178.6	65.6	0	0	0	0	114.5	Q632 T633 S639 N640	Q632-S636 PolarHBondContact O-N 3.08Å; Q632-S636 PolarHBondContact O-OG 3.44Å; T633-S636 PolarHBondContact O-N 3.25Å; T633-S636 PolarHBondContact O-OG 3.11Å; S636-S639 PolarHBondContact O-OG 3.23Å; S636-N640 PolarHBondContact O-ND2 3.46Å
637	L	41.5	Very low	44.1	Very low	112 Å²	112	104.1 Å²	104.1	59%	0.586	56%	0.556	S	S	*	*	H	α-helix	trans	-79.9	-31.5	172.1	-87.3	152.1	0	0	0	112.4	T633 V641	T633-L637 HydrophobicContact CG2-CD1 4.07Å; T633-L637 WeakPolarHBondContact O-CB 3.09Å; T633-L637 PolarHBondContact O-N 3.38Å; L637-V641 WeakPolarHBondContact O-CG2 3.39Å
638	S	40.6	Very low	43	Very low	81 Å²	81	109.2 Å²	109.2	57%	0.566	59%	0.586	S	S	*	*	H	α-helix	trans	-74.3	-37.2	178.6	-55	0	0	0	0	111.8	K634 N640	K634-S638 WeakPolarHBondContact O-CB 3.19Å; K634-S638 PolarHBondContact O-N 3.12Å; K634-S638 VanDerWaalsContact O-N 3.12Å; K634-S638 PolarHBondContact O-OG 3.11Å; S638-N640 VanDerWaalsContact C-N 3.33Å; S638-N640 PolarHBondContact O-N 2.89Å
639	S	37.1	Very low	42.2	Very low	70 Å²	70	111.2 Å²	111.2	49%	0.49	60%	0.604	S	S	.	*	H	α-helix	trans	-72	-21.2	178.5	61.1	0	0	0	0	114.8	L635 S636	L635-S639 PolarHBondContact O-N 3.2Å; L635-S639 PolarHBondContact O-OG 3.12Å; S636-S639 PolarHBondContact O-OG 3.23Å
640	N	39.7	Very low	41.1	Very low	104 Å²	104	116.5 Å²	116.5	56%	0.556	63%	0.626	S	S	*	*	H	α-helix	trans	-92.8	-11.6	179.7	-77.6	-53.9	0	0	0	114.1	S636 S638	S636-N640 PolarHBondContact O-ND2 3.46Å; S638-N640 VanDerWaalsContact C-N 3.33Å; S638-N640 PolarHBondContact O-N 2.89Å
641	V	41.5	Very low	39.9	Very low	98 Å²	98	112.4 Å²	112.4	59%	0.594	62%	0.623	S	S	*	*	H	α-helix	trans	-87.7	-25.3	179.3	173.4	0	0	0	0	112.2	L637 Q643	L637-V641 WeakPolarHBondContact O-CG2 3.39Å; V641-Q643 PolarHBondContact O-N 2.73Å
642	E	37.9	Very low	38.8	Very low	167 Å²	167	118 Å²	118	78%	0.78	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.1	-10.7	177.2	-82.7	178.5	143.2	0	0	114.8
643	Q	36.8	Very low	37.9	Very low	171 Å²	171	120.2 Å²	120.2	80%	0.799	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.1	6.2	179.9	-79.2	-174.2	-12	0	0	115.6	V641	V641-Q643 PolarHBondContact O-N 2.73Å
644	T	34.9	Very low	37.1	Very low	107 Å²	107	123.6 Å²	123.6	66%	0.656	68%	0.678	S	S	*	*	S	Bend	trans	-115.9	7.2	-176.7	53.7	0	0	0	0	116.6
645	H	35.8	Very low	36.2	Very low	179 Å²	179	123.4 Å²	123.4	83%	0.829	69%	0.691	S	S	*	*	S	Bend	trans	-121.6	73.3	172.6	-87.5	-74.9	0	0	0	112.6
646	S	31.4	Very low	35.7	Very low	122 Å²	122	125 Å²	125	85%	0.853	71%	0.71	S	S	*	*			trans	-173.8	85.4	152.7	172.9	0	0	0	0	110.4
647	S	36.8	Very low	35.3	Very low	108 Å²	108	130.7 Å²	130.7	76%	0.755	73%	0.727	S	S	*	*			trans	-125.4	132	160.4	50.4	0	0	0	0	109.6
648	N	34.1	Very low	35	Very low	154 Å²	154	134.8 Å²	134.8	82%	0.824	74%	0.743	S	S	*	*			trans	95.3	143.2	163.5	-75	-7.1	0	0	0	120.8
649	P	37.4	Very low	34.4	Very low	104 Å²	104	137.3 Å²	137.3	68%	0.675	75%	0.75	S	S	*	*				-129	160.9	-123.9	40.2	-25.5	0	0	0	114.3
650	H	34.5	Very low	33.9	Very low	185 Å²	185	141.7 Å²	141.7	86%	0.856	77%	0.767	S	S	*	*			trans	179.4	152.3	131.6	-111.8	-88.7	0	0	0	110.4
651	P	34.2	Very low	33.6	Very low	100 Å²	100	142.3 Å²	142.3	65%	0.649	77%	0.774	S	S	*	*			trans	-97.8	147.4	-162.7	37.1	-28.7	0	0	0	112.4
652	D	32.7	Very low	32.9	Very low	165 Å²	165	142.4 Å²	142.4	88%	0.882	78%	0.779	S	S	*	*			trans	-156.5	154.2	152.2	-98.5	-33.4	0	0	0	111.7
653	H	35.4	Very low	32.7	Very low	162 Å²	162	142.3 Å²	142.3	75%	0.75	78%	0.782	S	S	*	*			trans	-54.1	155.4	-163.1	-96.7	-95.9	0	0	0	119.3
654	N	30.9	Very low	32.3	Very low	145 Å²	145	140.9 Å²	140.9	78%	0.775	78%	0.78	S	S	*	*			trans	67.9	97.8	145.9	-69.8	-5.7	0	0	0	119.2
655	S	29.7	Very low	32.1	Very low	109 Å²	109	145.5 Å²	145.5	76%	0.762	79%	0.791	S	S	*	*				-167.2	113.6	124.9	-157.8	0	0	0	0	111.1	K657	S655-K657 PolarHBondContact O-N 3.26Å
656	S	29.1	Very low	31.9	Very low	124 Å²	124	142.5 Å²	142.5	87%	0.867	79%	0.786	S	S	*	*			trans	-61.2	118	167.7	-57.8	0	0	0	0	110.7
657	K	30.1	Very low	31.7	Very low	177 Å²	177	145.7 Å²	145.7	77%	0.77	79%	0.787	S	S	*	*			trans	-129.3	92.1	156.7	-77.6	-172.7	178.3	178.9	0	108.8	S655 L659	S655-K657 PolarHBondContact O-N 3.26Å; K657-L659 PolarHBondContact O-N 3.22Å
658	H	33.7	Very low	31.5	Very low	198 Å²	198	146.6 Å²	146.6	92%	0.917	78%	0.783	S	S	*	*			trans	-67.1	107	157.5	-116.9	-88.2	0	0	0	106.7
659	L	28.9	Very low	31.2	Very low	134 Å²	134	147 Å²	147	70%	0.702	78%	0.78	S	S	*	*			trans	-101.1	99.9	173.2	-121.7	134.5	0	0	0	107.9	K657 V661	K657-L659 PolarHBondContact O-N 3.22Å; L659-V661 HydrophobicContact CD2-CG2 3.55Å
660	L	27.2	Very low	30.9	Very low	162 Å²	162	150 Å²	150	85%	0.848	79%	0.785	S	S	*	*			trans	-63.6	122	152	-87.2	156.1	0	0	0	107.3
661	V	31.8	Very low	30.6	Very low	117 Å²	117	147.5 Å²	147.5	71%	0.709	78%	0.783	S	S	*	*			trans	-119.8	112.5	159.9	177.1	0	0	0	0	107.3	L659	L659-V661 HydrophobicContact CD2-CG2 3.55Å
662	S	28.2	Very low	30.4	Very low	100 Å²	100	147 Å²	147	70%	0.699	79%	0.787	S	S	*	*			trans	-60.9	131.5	174.4	-50.3	0	0	0	0	111.3
663	I	32.8	Very low	30.2	Very low	165 Å²	165	143.9 Å²	143.9	85%	0.846	78%	0.779	S	S	*	*			trans	-92.3	102.6	156.5	-66	176.7	0	0	0	106.9	K665	I663-K665 PolarHBondContact O-N 3.28Å
664	N	28.6	Very low	29.9	Very low	141 Å²	141	142.4 Å²	142.4	75%	0.754	78%	0.781	S	S	*	*			trans	-63.2	120.2	160.2	-86	-25.5	0	0	0	108.8
665	K	31.9	Very low	29.9	Very low	204 Å²	204	141.1 Å²	141.1	89%	0.887	78%	0.783	S	S	*	*			trans	-133.9	107.5	140.8	-116.1	174.3	-177	171.4	0	107.5	I663	I663-K665 PolarHBondContact O-N 3.28Å
666	T	29.6	Very low	30	Very low	117 Å²	117	141 Å²	141	72%	0.718	78%	0.782	S	S	*	*			trans	-56.7	134	-178	37.7	0	0	0	0	112	N668	T666-N668 PolarHBondContact O-N 3.44Å
667	H	28.2	Very low	30	Very low	189 Å²	189	144 Å²	144	88%	0.875	78%	0.783	S	S	*	*			trans	-50.6	122	151.2	-102.2	-96.8	0	0	0	110
668	N	32.1	Very low	30.1	Very low	127 Å²	127	150.7 Å²	150.7	68%	0.679	80%	0.803	S	S	*	*			trans	-143.3	118.1	150.3	-92.9	4.2	0	0	0	103.3	T666	T666-N668 PolarHBondContact O-N 3.44Å
669	E	28.8	Very low	29.9	Very low	162 Å²	162	148.4 Å²	148.4	76%	0.757	80%	0.798	S	S	*	*				62.7	116.9	93	-76.7	-177.7	170	0	0	109.4
670	E	29.6	Very low	29.9	Very low	166 Å²	166	149.1 Å²	149.1	78%	0.776	80%	0.803	S	S	*	*			cis	-163.9	140.4	42.3	-86.5	154.3	148.1	0	0	107.3
671	T	28.3	Very low	30.1	Very low	133 Å²	133	148.4 Å²	148.4	82%	0.816	80%	0.8	S	S	*	*				45.6	139.2	81.1	46.3	0	0	0	0	117.5
672	A	30.3	Very low	30	Very low	89 Å²	89	150.2 Å²	150.2	74%	0.736	81%	0.805	S	S	*	*			trans	82.9	102.1	168.4	0	0	0	0	0	116.4
673	S	30	Very low	30.1	Very low	101 Å²	101	153.4 Å²	153.4	71%	0.706	81%	0.812	S	S	*	*				57.3	115.6	67.6	80.4	0	0	0	0	114.6
674	T	28.7	Very low	29.9	Very low	131 Å²	131	152.6 Å²	152.6	80%	0.804	81%	0.81	S	S	*	*			trans	62.8	115.1	145.6	58.9	0	0	0	0	119
675	S	30.5	Very low	30	Very low	117 Å²	117	153.4 Å²	153.4	82%	0.818	81%	0.814	S	S	*	*				176.4	132.1	107.5	58.8	0	0	0	0	113.6
676	S	31.5	Very low	29.9	Very low	107 Å²	107	149.5 Å²	149.5	75%	0.748	81%	0.808	S	S	*	*			trans	70.1	109.7	141.3	-160.1	0	0	0	0	121.2
677	E	29.5	Very low	29.9	Very low	186 Å²	186	152.3 Å²	152.3	87%	0.869	82%	0.816	S	S	*	*			trans	-8.5	122.6	137	-61.7	173.9	141.7	0	0	117.2
678	R	31.7	Very low	30.1	Very low	319 Å²	319	148.9 Å²	148.9	100%	1.204	81%	0.81	S	S	*	*				-158.4	0	115.6	-118.4	-174	-161.4	-176.8	6.4	111

Retrieved 678 of 678 residues in 904.9 ms (Link to these results)

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