G4VHS7_SCHMA Loading...

Putative mitochondrial carrier

AlphaFold DB , UniProt , Accession G4VHS7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 343 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.6	Very low	37.3	Very low	242 Å²	242	151.1 Å²	151.1	100%	1.192	82%	0.816	S	S	*	*				0	119	0	-87.7	166.8	162.3	0	0	105.5	D3	M1-D3 PolarHBondContact O-N 3Å
2	I	40.7	Very low	37.2	Very low	173 Å²	173	153.5 Å²	153.5	89%	0.887	82%	0.818	S	S	*	*			trans	-73.8	121.2	-172.9	-67.5	167.2	0	0	0	107.4	S4	I2-S4 PolarHBondContact O-N 2.83Å
3	D	39.7	Very low	37	Very low	149 Å²	149	158 Å²	158	80%	0.797	82%	0.819	S	S	*	*			trans	-56.3	117.2	172.4	-89.7	-40.3	0	0	0	109.2	M1 D5	M1-D3 PolarHBondContact O-N 3Å; D3-D5 PolarHBondContact O-N 2.9Å
4	S	42.6	Very low	37.2	Very low	108 Å²	108	154.3 Å²	154.3	76%	0.755	81%	0.807	S	S	*	*			trans	-80.5	92.3	170.6	55.7	0	0	0	0	107.7	I2 T6	I2-S4 PolarHBondContact O-N 2.83Å; S4-T6 PolarHBondContact O-N 3.17Å
5	D	40.4	Very low	37	Very low	154 Å²	154	150.5 Å²	150.5	82%	0.824	80%	0.799	S	S	*	*			trans	-58.9	107.2	165.8	-80.3	-30.4	0	0	0	108.4	D3	D3-D5 PolarHBondContact O-N 2.9Å
6	T	32.5	Very low	37	Very low	117 Å²	117	153.6 Å²	153.6	72%	0.718	80%	0.797	S	S	*	*			trans	-50.4	128.8	153.2	44.6	0	0	0	0	109.1	S4	S4-T6 PolarHBondContact O-N 3.17Å
7	D	36.7	Very low	37.2	Very low	157 Å²	157	151.4 Å²	151.4	84%	0.84	79%	0.793	S	S	*	*			trans	-155.7	122.6	131.6	-95.9	-23.3	0	0	0	110.9	F9	D7-F9 PolarHBondContact O-N 3.35Å
8	E	32.8	Very low	37.2	Very low	175 Å²	175	151.8 Å²	151.8	82%	0.818	79%	0.794	S	S	*	*			trans	-51.2	114.9	-179.8	-69.8	166.4	144.7	0	0	111.1	S10	E8-S10 PolarHBondContact O-N 2.97Å
9	F	33.1	Very low	37.5	Very low	214 Å²	214	148.2 Å²	148.2	94%	0.939	78%	0.778	S	S	*	*			trans	-68.4	65.6	161.3	-137.1	-93.2	0	0	0	108.5	D7 S11	D7-F9 PolarHBondContact O-N 3.35Å; F9-S11 PolarHBondContact O-N 3.33Å
10	S	34.9	Very low	37.4	Very low	92 Å²	92	145.7 Å²	145.7	64%	0.643	77%	0.771	S	S	*	*			trans	-68.4	107.8	174.1	53.7	0	0	0	0	107.5	E8 Q12	E8-S10 PolarHBondContact O-N 2.97Å; S10-Q12 PolarHBondContact O-N 3.25Å
11	S	36.7	Very low	37.5	Very low	81 Å²	81	147.5 Å²	147.5	57%	0.566	77%	0.769	S	S	*	*			trans	-55	99.5	174.5	48.1	0	0	0	0	109.4	F9 Y13	F9-S11 PolarHBondContact O-N 3.33Å; S11-Y13 WeakPolarHBondContact O-CD2 3.34Å; S11-Y13 PolarHBondContact O-N 3.25Å
12	Q	35.8	Very low	37.7	Very low	180 Å²	180	141.3 Å²	141.3	84%	0.841	75%	0.745	S	S	*	*			trans	-63.3	93.2	162.4	-83.2	-180	-18.5	0	0	107.4	S10 V14	S10-Q12 PolarHBondContact O-N 3.25Å; Q12-V14 VanDerWaalsContact C-N 3.3Å; Q12-V14 PolarHBondContact O-N 3.15Å
13	Y	34.5	Very low	37.6	Very low	212 Å²	212	140.8 Å²	140.8	83%	0.831	74%	0.738	S	S	*	*			trans	-55.8	98.5	163.1	-77.4	-91.2	0	0	0	107.3	S11 S15	S11-Y13 WeakPolarHBondContact O-CD2 3.34Å; S11-Y13 PolarHBondContact O-N 3.25Å; Y13-S15 PolarHBondContact O-N 3.14Å
14	V	39.7	Very low	38	Very low	106 Å²	106	138.9 Å²	138.9	64%	0.642	73%	0.725	S	S	*	*			trans	-66	91.7	169.3	179.6	0	0	0	0	106.1	Q12 Y16	Q12-V14 VanDerWaalsContact C-N 3.3Å; Q12-V14 PolarHBondContact O-N 3.15Å; V14-Y16 PolarHBondContact O-N 2.95Å
15	S	34.5	Very low	38.2	Very low	98 Å²	98	142 Å²	142	69%	0.685	73%	0.728	S	S	*	*			trans	-63.5	105.1	174.2	-172	0	0	0	0	107.6	Y13 T17	Y13-S15 PolarHBondContact O-N 3.14Å; S15-T17 VanDerWaalsContact C-N 3.29Å; S15-T17 PolarHBondContact O-N 3.34Å
16	Y	37.2	Very low	38.7	Very low	199 Å²	199	139.4 Å²	139.4	78%	0.78	72%	0.719	S	S	*	*			trans	-64.4	94.8	173	-41.1	-83.7	0	0	0	107	V14 I18	V14-Y16 PolarHBondContact O-N 2.95Å; Y16-I18 VanDerWaalsContact C-N 3.34Å; Y16-I18 PolarHBondContact O-N 3.33Å
17	T	39.3	Very low	39.9	Very low	117 Å²	117	137.3 Å²	137.3	72%	0.718	71%	0.706	S	S	*	*			trans	-61.9	102.7	168.4	-52.8	0	0	0	0	106.7	S15 V19	S15-T17 VanDerWaalsContact C-N 3.29Å; S15-T17 PolarHBondContact O-N 3.34Å; T17-V19 VanDerWaalsContact C-N 3.35Å; T17-V19 PolarHBondContact O-N 2.79Å
18	I	38.3	Very low	41.1	Very low	159 Å²	159	131.1 Å²	131.1	82%	0.815	67%	0.673	S	S	*	*			trans	-60.4	102.8	171.8	-60.5	172.5	0	0	0	105.5	Y16	Y16-I18 VanDerWaalsContact C-N 3.34Å; Y16-I18 PolarHBondContact O-N 3.33Å
19	V	43	Very low	42.6	Very low	82 Å²	82	124.6 Å²	124.6	50%	0.497	65%	0.653	S	S	.	*			trans	-64.6	125.3	-179.7	-175.9	0	0	0	0	106.9	T17 Y21	T17-V19 VanDerWaalsContact C-N 3.35Å; T17-V19 PolarHBondContact O-N 2.79Å; V19-Y21 PolarHBondContact O-N 2.95Å
20	P	35.9	Very low	44.5	Very low	98 Å²	98	121.6 Å²	121.6	64%	0.636	65%	0.646	S	S	*	*			trans	-56.9	136	179.1	21.5	-31.1	0	0	0	109.4	V22	P20-V22 PolarHBondContact O-N 2.9Å
21	Y	38.4	Very low	46.6	Very low	184 Å²	184	124.7 Å²	124.7	72%	0.722	65%	0.65	S	S	*	*			trans	-59.2	103	170	176.4	-98.5	0	0	0	107.7	V19 E23	V19-Y21 PolarHBondContact O-N 2.95Å; Y21-E23 HydrophobicContact CD1-CB 4.21Å; Y21-E23 HydrophobicContact CE1-CB 3.9Å; Y21-E23 HydrophobicContact CE1-CG 4.14Å; Y21-E23 PolarHBondContact O-N 3.19Å; Y21-E23 VanDerWaalsContact O-N 3.08Å
22	V	44.3	Very low	48.4	Very low	113 Å²	113	122.5 Å²	122.5	69%	0.685	64%	0.636	S	S	*	*			trans	-74.3	102.2	169.8	-179.3	0	0	0	0	105.7	P20 Q24	P20-V22 PolarHBondContact O-N 2.9Å; V22-Q24 PolarHBondContact O-N 2.8Å
23	E	38.6	Very low	50.1	Low	161 Å²	161	116.9 Å²	116.9	75%	0.752	61%	0.608	S	S	*	*			trans	-56.9	104.4	172.6	-170.1	166.9	-159.1	0	0	108.2	Y21 Q25	Y21-E23 HydrophobicContact CD1-CB 4.21Å; Y21-E23 HydrophobicContact CE1-CB 3.9Å; Y21-E23 HydrophobicContact CE1-CG 4.14Å; Y21-E23 PolarHBondContact O-N 3.19Å; Y21-E23 VanDerWaalsContact O-N 3.08Å; E23-Q25 PolarHBondContact O-N 3.44Å
24	Q	49.4	Very low	52.2	Low	110 Å²	110	112.8 Å²	112.8	51%	0.514	60%	0.595	S	S	.	*			trans	-73	126.6	175.8	-77.6	177.9	-22.8	0	0	107.4	V22	V22-Q24 PolarHBondContact O-N 2.8Å
25	Q	46.6	Very low	54.2	Low	174 Å²	174	113 Å²	113	81%	0.813	59%	0.592	S	S	*	*			trans	-45.7	139.1	171.8	-68.7	-104.6	-44.5	0	0	109.5	E23 V27	E23-Q25 PolarHBondContact O-N 3.44Å; Q25-V27 PolarHBondContact O-N 3.13Å
26	P	50.4	Low	56.4	Low	99 Å²	99	111 Å²	111	64%	0.643	57%	0.569	S	S	*	*			trans	-50.5	132.9	178.6	20.8	-31.7	0	0	0	109.4	V28	P26-V28 PolarHBondContact O-N 3.38Å
27	V	57.1	Low	58.4	Low	72 Å²	72	105.5 Å²	105.5	44%	0.436	55%	0.551	S	S	.	*	S	Bend	trans	-56.1	-24.4	-170.9	-177	0	0	0	0	112.1	Q25 E112 A116	Q25-V27 PolarHBondContact O-N 3.13Å; V27-E112 VanDerWaalsContact CG1-OE1 3.22Å; V27-E112 WeakPolarHBondContact CG1-OE1 3.34Å; V27-A116 HydrophobicContact CB-CB 4.42Å; V27-A116 HydrophobicContact CG1-CB 4.34Å; V27-A116 HydrophobicContact CG2-CB 3.73Å
28	V	61.8	Low	60.6	Low	27 Å²	27	104.4 Å²	104.4	16%	0.164	54%	0.54	C	S	.	.	S	Bend	trans	-144.4	123.8	176.1	179.5	0	0	0	0	107.7	P26 A32 Y33 E112	P26-V28 PolarHBondContact O-N 3.38Å; V28-A32 HydrophobicContact CG1-CB 3.26Å; V28-Y33 HydrophobicContact CB-CD2 4.36Å; V28-Y33 HydrophobicContact CB-CE2 3.92Å; V28-Y33 HydrophobicContact CG1-CD2 3.89Å; V28-Y33 HydrophobicContact CG1-CE2 3.91Å; V28-E112 HydrophobicContact CG2-CG 3.83Å; V28-E112 WeakPolarHBondContact CG2-OE1 3.28Å; V28-E112 WeakPolarHBondContact CG2-OE2 3.42Å
29	G	66.1	Low	62.9	Low	38 Å²	38	98.4 Å²	98.4	39%	0.392	51%	0.514	S	S	.	.			trans	-61.5	154.1	173.1	0	0	0	0	0	111.6	E31 A32	G29-E31 PolarHBondContact O-N 3.21Å; G29-A32 PolarHBondContact O-N 3.49Å
30	I	72.1	Confident	65.3	Low	152 Å²	152	94.5 Å²	94.5	78%	0.779	49%	0.49	S	S	*	.	H	α-helix	trans	-51	-34.1	175.6	-66.5	166.6	0	0	0	110.9	A32 Y33 F34	I30-A32 PolarHBondContact O-N 3.24Å; I30-Y33 WeakPolarHBondContact O-CB 3.4Å; I30-Y33 PolarHBondContact O-N 2.83Å; I30-F34 PolarHBondContact O-N 3.35Å
31	E	78.2	Confident	68	Low	156 Å²	156	90.3 Å²	90.3	73%	0.729	46%	0.463	S	S	*	.	H	α-helix	trans	-55.3	-45.5	175.2	-61.2	178.9	178.8	0	0	113.1	G29 Y33 F34 L35	G29-E31 PolarHBondContact O-N 3.21Å; E31-Y33 VanDerWaalsContact C-N 3.33Å; E31-Y33 PolarHBondContact O-N 3.07Å; E31-F34 WeakPolarHBondContact O-CB 3.14Å; E31-F34 PolarHBondContact O-N 2.81Å; E31-F34 VanDerWaalsContact O-N 3.16Å; E31-L35 VanDerWaalsContact O-CG 3.3Å; E31-L35 WeakPolarHBondContact O-CG 3.21Å; E31-L35 PolarHBondContact O-N 3.49Å
32	A	74.7	Confident	70.6	Confident	35 Å²	35	85.3 Å²	85.3	29%	0.289	45%	0.445	S	S	.	.	H	α-helix	trans	-72.2	-29.1	-178.3	0	0	0	0	0	112.1	V28 G29 I30 R36	V28-A32 HydrophobicContact CG1-CB 3.26Å; G29-A32 PolarHBondContact O-N 3.49Å; I30-A32 PolarHBondContact O-N 3.24Å; A32-R36 WeakPolarHBondContact O-CB 3.38Å; A32-R36 VanDerWaalsContact O-CG 3.26Å; A32-R36 WeakPolarHBondContact O-CG 3.5Å; A32-R36 PolarHBondContact O-N 3.34Å
33	Y	72.8	Confident	73	Confident	63 Å²	63	83 Å²	83	25%	0.247	42%	0.424	C	S	.	.	H	α-helix	trans	-66.4	-41.7	167.8	-81.9	-79.4	0	0	0	111.8	V28 I30 E31 R36 Q37 F109	V28-Y33 HydrophobicContact CB-CD2 4.36Å; V28-Y33 HydrophobicContact CB-CE2 3.92Å; V28-Y33 HydrophobicContact CG1-CD2 3.89Å; V28-Y33 HydrophobicContact CG1-CE2 3.91Å; I30-Y33 WeakPolarHBondContact O-CB 3.4Å; I30-Y33 PolarHBondContact O-N 2.83Å; E31-Y33 VanDerWaalsContact C-N 3.33Å; E31-Y33 PolarHBondContact O-N 3.07Å; Y33-R36 PolarHBondContact O-N 2.9Å; Y33-Q37 WeakPolarHBondContact O-CG 3.13Å; Y33-Q37 PolarHBondContact O-N 3.45Å; Y33-Q37 VanDerWaalsContact O-N 3.11Å; Y33-F109 HydrophobicContact CE1-CD2 4.46Å
34	F	78.2	Confident	75.7	Confident	125 Å²	125	75.4 Å²	75.4	55%	0.548	39%	0.389	S	S	.	.	H	α-helix	trans	-62.5	-45.7	175.3	-174.7	-104.6	0	0	0	111.9	I30 E31 R36 Q37 L38	I30-F34 PolarHBondContact O-N 3.35Å; E31-F34 WeakPolarHBondContact O-CB 3.14Å; E31-F34 PolarHBondContact O-N 2.81Å; E31-F34 VanDerWaalsContact O-N 3.16Å; F34-R36 VanDerWaalsContact C-N 3.33Å; F34-R36 PolarHBondContact O-N 3.5Å; F34-Q37 WeakPolarHBondContact O-CB 3.44Å; F34-Q37 PolarHBondContact O-N 2.8Å; F34-L38 HydrophobicContact CD1-CD1 4Å; F34-L38 HydrophobicContact CD1-CG 4.32Å; F34-L38 HydrophobicContact CE1-CD1 3.63Å; F34-L38 HydrophobicContact CE1-CD2 4.3Å; F34-L38 HydrophobicContact CE1-CG 4.02Å; F34-L38 HydrophobicContact CZ-CD1 4.34Å; F34-L38 HydrophobicContact CZ-CD2 4.2Å; F34-L38 HydrophobicContact CZ-CG 4.36Å; F34-L38 PolarHBondContact O-N 2.91Å
35	L	81	Confident	78	Confident	112 Å²	112	70.1 Å²	70.1	59%	0.586	36%	0.364	S	S	*	.	H	α-helix	trans	-60.5	-40.5	175.8	-70.3	174.3	0	0	0	112.2	E31 Q37 L38 A39	E31-L35 VanDerWaalsContact O-CG 3.3Å; E31-L35 WeakPolarHBondContact O-CG 3.21Å; E31-L35 PolarHBondContact O-N 3.49Å; L35-Q37 VanDerWaalsContact C-N 3.27Å; L35-Q37 PolarHBondContact O-N 3.06Å; L35-L38 HydrophobicContact CD2-CD1 4.42Å; L35-L38 PolarHBondContact O-N 3.38Å; L35-A39 PolarHBondContact O-N 3.22Å
36	R	80.4	Confident	80.3	Confident	56 Å²	56	67.2 Å²	67.2	21%	0.211	35%	0.346	C	S	.	.	H	α-helix	trans	-59.3	-40.1	173.2	-76.2	175.7	-169.4	-177.1	7.9	110.9	A32 Y33 F34 A39 R43 E112	A32-R36 WeakPolarHBondContact O-CB 3.38Å; A32-R36 VanDerWaalsContact O-CG 3.26Å; A32-R36 WeakPolarHBondContact O-CG 3.5Å; A32-R36 PolarHBondContact O-N 3.34Å; Y33-R36 PolarHBondContact O-N 2.9Å; F34-R36 VanDerWaalsContact C-N 3.33Å; F34-R36 PolarHBondContact O-N 3.5Å; R36-A39 PolarHBondContact O-N 3.26Å; R36-R43 PolarHBondContact O-NH1 2.94Å; R36-E112 IonicContact CZ-OE2 2.86Å; R36-E112 IonicContact NH1-OE2 3.55Å; R36-E112 PolarHBondContact NH1-OE2 3.02Å; R36-E112 IonicContact NH2-OE2 3.92Å; R36-E112 PolarHBondContact NH2-OE2 3.23Å
37	Q	80.4	Confident	82.5	Confident	83 Å²	83	63.4 Å²	63.4	39%	0.388	32%	0.321	S	S	.	.	H	α-helix	trans	-70.3	-36.4	178.8	-68.2	-172.8	96.8	0	0	112.7	Y33 F34 L35 A39 N40 L101	Y33-Q37 WeakPolarHBondContact O-CG 3.13Å; Y33-Q37 PolarHBondContact O-N 3.45Å; Y33-Q37 VanDerWaalsContact O-N 3.11Å; F34-Q37 WeakPolarHBondContact O-CB 3.44Å; F34-Q37 PolarHBondContact O-N 2.8Å; L35-Q37 VanDerWaalsContact C-N 3.27Å; L35-Q37 PolarHBondContact O-N 3.06Å; Q37-A39 PolarHBondContact O-N 3.47Å; Q37-N40 VanDerWaalsContact O-CB 3.25Å; Q37-N40 WeakPolarHBondContact O-CB 3.12Å; Q37-N40 PolarHBondContact O-N 2.95Å; Q37-L101 HydrophobicContact CB-CD1 4.08Å; Q37-L101 HydrophobicContact CG-CD1 3.95Å
38	L	84.5	Confident	84.4	Confident	94 Å²	94	60 Å²	60	49%	0.492	30%	0.3	S	S	.	.	H	α-helix	trans	-61.8	-27.3	172.8	-67.7	-179.2	0	0	0	112.8	F34 L35 N40 P41	F34-L38 HydrophobicContact CD1-CD1 4Å; F34-L38 HydrophobicContact CD1-CG 4.32Å; F34-L38 HydrophobicContact CE1-CD1 3.63Å; F34-L38 HydrophobicContact CE1-CD2 4.3Å; F34-L38 HydrophobicContact CE1-CG 4.02Å; F34-L38 HydrophobicContact CZ-CD1 4.34Å; F34-L38 HydrophobicContact CZ-CD2 4.2Å; F34-L38 HydrophobicContact CZ-CG 4.36Å; F34-L38 PolarHBondContact O-N 2.91Å; L35-L38 HydrophobicContact CD2-CD1 4.42Å; L35-L38 PolarHBondContact O-N 3.38Å; L38-N40 VanDerWaalsContact C-N 3.27Å; L38-N40 PolarHBondContact O-N 3.06Å; L38-P41 WeakPolarHBondContact O-CD 3.48Å
39	A	87.8	Confident	86	Confident	33 Å²	33	58.8 Å²	58.8	27%	0.273	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	3.1	175.6	0	0	0	0	0	114.2	L35 R36 Q37 F42 R43	L35-A39 PolarHBondContact O-N 3.22Å; R36-A39 PolarHBondContact O-N 3.26Å; Q37-A39 PolarHBondContact O-N 3.47Å; A39-F42 HydrophobicContact CB-CD2 4.36Å; A39-F42 WeakPolarHBondContact O-CB 2.99Å; A39-F42 PolarHBondContact O-N 3.36Å; A39-F42 VanDerWaalsContact O-N 3.14Å; A39-R43 PolarHBondContact O-N 2.84Å; A39-R43 VanDerWaalsContact O-N 3.16Å
40	N	92.1	Very high	87.4	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-58.1	-41.5	-178.4	-164	51.1	0	0	0	114.2	Q37 L38 F42 R43 V44 L97 T99 L101 N104	Q37-N40 VanDerWaalsContact O-CB 3.25Å; Q37-N40 WeakPolarHBondContact O-CB 3.12Å; Q37-N40 PolarHBondContact O-N 2.95Å; L38-N40 VanDerWaalsContact C-N 3.27Å; L38-N40 PolarHBondContact O-N 3.06Å; N40-F42 PolarHBondContact O-N 3.2Å; N40-R43 WeakPolarHBondContact O-CA 3.19Å; N40-R43 WeakPolarHBondContact O-CB 3.45Å; N40-R43 PolarHBondContact O-N 3.39Å; N40-V44 WeakPolarHBondContact O-CG2 3.41Å; N40-V44 PolarHBondContact O-N 2.86Å; N40-L97 PolarHBondContact ND2-O 3.37Å; N40-T99 PolarHBondContact ND2-O 3Å; N40-L101 HydrophobicContact CB-CD1 4.24Å; N40-N104 PolarHBondContact OD1-ND2 3.34Å; N40-N104 VanDerWaalsContact OD1-ND2 3.07Å
41	P	93.9	Very high	88.6	Confident	9 Å²	9	51.2 Å²	51.2	6%	0.058	24%	0.244	C	C	.	.	H	α-helix	trans	-57.9	-34.5	176.5	-26.7	36.9	0	0	0	113.4	L38 A45 T84 M88 V96 L97	L38-P41 WeakPolarHBondContact O-CD 3.48Å; P41-A45 WeakPolarHBondContact O-CB 3.42Å; P41-A45 PolarHBondContact O-N 3.02Å; P41-T84 HydrophobicContact CB-CG2 3.83Å; P41-M88 HydrophobicContact CB-SD 4.43Å; P41-V96 HydrophobicContact CB-CG1 3.86Å; P41-V96 HydrophobicContact CG-CG1 4.44Å; P41-L97 HydrophobicContact CG-CD2 3.35Å; P41-L97 HydrophobicContact CG-CG 4Å
42	F	93.4	Very high	89.3	Confident	80 Å²	80	44.3 Å²	44.3	35%	0.351	21%	0.214	S	C	.	.	H	α-helix	trans	-69.2	-43.1	174.6	-60.6	-51.9	0	0	0	110.8	A39 N40 V44 A45 W46 F80 F81 T84	A39-F42 HydrophobicContact CB-CD2 4.36Å; A39-F42 WeakPolarHBondContact O-CB 2.99Å; A39-F42 PolarHBondContact O-N 3.36Å; A39-F42 VanDerWaalsContact O-N 3.14Å; N40-F42 PolarHBondContact O-N 3.2Å; F42-V44 VanDerWaalsContact C-N 3.32Å; F42-V44 PolarHBondContact O-N 2.64Å; F42-A45 PolarHBondContact O-N 2.99Å; F42-W46 VanDerWaalsContact O-CB 3.28Å; F42-W46 WeakPolarHBondContact O-CB 3.24Å; F42-W46 PolarHBondContact O-N 3.32Å; F42-F80 HydrophobicContact CB-CE1 3.67Å; F42-F80 HydrophobicContact CB-CZ 3.63Å; F42-F80 HydrophobicContact CD1-CD1 4.09Å; F42-F80 AromaticContact CD1-CE1 3.29Å; F42-F80 HydrophobicContact CD1-CE1 3.29Å; F42-F80 AromaticContact CD1-CZ 3.97Å; F42-F80 HydrophobicContact CD1-CZ 3.97Å; F42-F80 HydrophobicContact CE1-CE1 4.2Å; F42-F80 AromaticContact CG-CE1 3.78Å; F42-F80 HydrophobicContact CG-CE1 3.78Å; F42-F80 HydrophobicContact CG-CZ 4.23Å; F42-F80 WeakPolarHBondContact O-CZ 3.5Å; F42-F81 AromaticContact CE1-CD1 3.74Å; F42-F81 HydrophobicContact CE1-CD1 3.74Å; F42-F81 AromaticContact CE1-CE1 3.8Å; F42-F81 HydrophobicContact CE1-CE1 3.8Å; F42-F81 HydrophobicContact CZ-CD1 4.16Å; F42-F81 AromaticContact CZ-CE1 3.93Å; F42-F81 HydrophobicContact CZ-CE1 3.93Å; F42-T84 HydrophobicContact CD1-CG2 3.95Å; F42-T84 HydrophobicContact CE1-CG2 4.11Å
43	R	93.5	Very high	90.2	Very high	65 Å²	65	45.9 Å²	45.9	25%	0.245	21%	0.213	C	C	.	.	H	α-helix	trans	-59.4	-41.7	173.6	-66.1	-166.8	176.9	106.5	-14	112.7	R36 A39 N40 W46 T47 D108	R36-R43 PolarHBondContact O-NH1 2.94Å; A39-R43 PolarHBondContact O-N 2.84Å; A39-R43 VanDerWaalsContact O-N 3.16Å; N40-R43 WeakPolarHBondContact O-CA 3.19Å; N40-R43 WeakPolarHBondContact O-CB 3.45Å; N40-R43 PolarHBondContact O-N 3.39Å; R43-W46 PolarHBondContact O-N 3.06Å; R43-T47 WeakPolarHBondContact O-CB 3.47Å; R43-T47 PolarHBondContact O-N 3.33Å; R43-T47 PolarHBondContact O-OG1 2.84Å; R43-D108 IonicContact CZ-OD2 3.48Å; R43-D108 IonicContact NH1-OD2 2.95Å; R43-D108 IonicContact NH2-OD1 3.87Å; R43-D108 IonicContact NH2-OD2 3.11Å; R43-D108 PolarHBondContact NH2-OD2 2.98Å
44	V	96.2	Very high	91.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-59.7	-52.9	175.4	174.3	0	0	0	0	110.5	N40 F42 W46 T47 L48 V96 I195 L198	N40-V44 WeakPolarHBondContact O-CG2 3.41Å; N40-V44 PolarHBondContact O-N 2.86Å; F42-V44 VanDerWaalsContact C-N 3.32Å; F42-V44 PolarHBondContact O-N 2.64Å; V44-W46 VanDerWaalsContact C-N 3.31Å; V44-W46 PolarHBondContact O-N 2.74Å; V44-T47 PolarHBondContact O-N 3.01Å; V44-L48 HydrophobicContact CG1-CD1 4.02Å; V44-L48 WeakPolarHBondContact O-CG 3.34Å; V44-L48 PolarHBondContact O-N 2.91Å; V44-V96 HydrophobicContact CB-CG1 4.31Å; V44-V96 HydrophobicContact CG1-CG1 4.25Å; V44-I195 HydrophobicContact CG1-CG2 4.04Å; V44-I195 HydrophobicContact CG2-CD1 4.29Å; V44-I195 HydrophobicContact CG2-CG1 4.15Å; V44-L198 HydrophobicContact CG1-CD1 3.59Å
45	A	96	Very high	91.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-56.3	-46.4	177.1	0	0	0	0	0	112	P41 F42 T47 L48 I49 F80 Y83 T84 L87	P41-A45 WeakPolarHBondContact O-CB 3.42Å; P41-A45 PolarHBondContact O-N 3.02Å; F42-A45 PolarHBondContact O-N 2.99Å; A45-T47 PolarHBondContact O-N 3.32Å; A45-L48 PolarHBondContact O-N 2.95Å; A45-I49 WeakPolarHBondContact O-CD1 3.47Å; A45-I49 VanDerWaalsContact O-CG1 3.23Å; A45-I49 WeakPolarHBondContact O-CG1 3.4Å; A45-I49 PolarHBondContact O-N 3.1Å; A45-F80 HydrophobicContact CB-CD2 4.4Å; A45-F80 HydrophobicContact CB-CE2 3.74Å; A45-F80 HydrophobicContact CB-CZ 4.11Å; A45-Y83 HydrophobicContact CB-CD1 3.82Å; A45-Y83 HydrophobicContact CB-CE1 4.12Å; A45-T84 HydrophobicContact CB-CG2 4.44Å; A45-T84 VanDerWaalsContact CB-OG1 3.28Å; A45-T84 WeakPolarHBondContact CB-OG1 3.13Å; A45-L87 HydrophobicContact CB-CD1 3.99Å
46	W	95.1	Very high	92.3	Very high	112 Å²	112	36 Å²	36	42%	0.424	17%	0.173	S	C	.	.	H	α-helix	trans	-65	-41.4	-176.8	-157	-13.9	0	0	0	111.9	F42 R43 V44 I49 K50 F80 G324	F42-W46 VanDerWaalsContact O-CB 3.28Å; F42-W46 WeakPolarHBondContact O-CB 3.24Å; F42-W46 PolarHBondContact O-N 3.32Å; R43-W46 PolarHBondContact O-N 3.06Å; V44-W46 VanDerWaalsContact C-N 3.31Å; V44-W46 PolarHBondContact O-N 2.74Å; W46-I49 PolarHBondContact O-N 3.2Å; W46-K50 WeakPolarHBondContact O-CG 3.32Å; W46-K50 PolarHBondContact O-N 2.87Å; W46-F80 HydrophobicContact CB-CE2 3.85Å; W46-F80 HydrophobicContact CB-CZ 4.24Å; W46-F80 HydrophobicContact CG-CE2 4.31Å; W46-G324 PolarHBondContact NE1-O 3.05Å
47	T	96.5	Very high	92.7	Very high	19 Å²	19	37 Å²	37	12%	0.117	19%	0.193	C	C	.	.	H	α-helix	trans	-65.7	-42.8	176.8	-54.7	0	0	0	0	110.9	R43 V44 A45 I49 K50 L51 V192 I195	R43-T47 WeakPolarHBondContact O-CB 3.47Å; R43-T47 PolarHBondContact O-N 3.33Å; R43-T47 PolarHBondContact O-OG1 2.84Å; V44-T47 PolarHBondContact O-N 3.01Å; A45-T47 PolarHBondContact O-N 3.32Å; T47-I49 VanDerWaalsContact C-N 3.33Å; T47-I49 PolarHBondContact O-N 3.07Å; T47-K50 WeakPolarHBondContact O-CB 3.28Å; T47-K50 PolarHBondContact O-N 3.4Å; T47-L51 HydrophobicContact CG2-CD1 4.3Å; T47-L51 WeakPolarHBondContact O-CG 3.02Å; T47-L51 PolarHBondContact O-N 3.48Å; T47-V192 HydrophobicContact CG2-CB 4.31Å; T47-V192 HydrophobicContact CG2-CG1 3.87Å; T47-V192 HydrophobicContact CG2-CG2 4.11Å; T47-I195 HydrophobicContact CG2-CB 4.16Å; T47-I195 HydrophobicContact CG2-CD1 3.95Å; T47-I195 HydrophobicContact CG2-CG2 3.96Å
48	L	97.1	Very high	93.2	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-62.2	-39.5	176.6	-71.8	171.4	0	0	0	112.8	V44 A45 L51 G52 Y53 Y83 L87 I195 I199	V44-L48 HydrophobicContact CG1-CD1 4.02Å; V44-L48 WeakPolarHBondContact O-CG 3.34Å; V44-L48 PolarHBondContact O-N 2.91Å; A45-L48 PolarHBondContact O-N 2.95Å; L48-L51 CarbonylContact O-C 3.6Å; L48-L51 PolarHBondContact O-N 2.97Å; L48-G52 PolarHBondContact O-N 3.43Å; L48-G52 VanDerWaalsContact O-N 3.16Å; L48-Y53 HydrophobicContact CB-CD1 4.33Å; L48-Y53 HydrophobicContact CD1-CD1 4.33Å; L48-Y53 HydrophobicContact CD2-CD1 4.2Å; L48-Y53 PolarHBondContact O-N 3.32Å; L48-Y83 HydrophobicContact CB-CE1 4.35Å; L48-L87 HydrophobicContact CD1-CD1 3.63Å; L48-L87 HydrophobicContact CD1-CD2 3.91Å; L48-L87 HydrophobicContact CD1-CG 4.45Å; L48-I195 HydrophobicContact CD1-CG2 4.39Å; L48-I195 HydrophobicContact CD2-CG2 3.81Å; L48-I195 HydrophobicContact CG-CG2 3.64Å; L48-I199 HydrophobicContact CD2-CD1 3.74Å; L48-I199 HydrophobicContact CD2-CG1 3.55Å
49	I	95.8	Very high	93.3	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.01	18%	0.181	C	C	.	.	H	α-helix	trans	-62.8	-43.5	175.1	-68.2	165.2	0	0	0	110.6	A45 W46 T47 L51 G52 E54 F80 Y83 G324	A45-I49 WeakPolarHBondContact O-CD1 3.47Å; A45-I49 VanDerWaalsContact O-CG1 3.23Å; A45-I49 WeakPolarHBondContact O-CG1 3.4Å; A45-I49 PolarHBondContact O-N 3.1Å; W46-I49 PolarHBondContact O-N 3.2Å; T47-I49 VanDerWaalsContact C-N 3.33Å; T47-I49 PolarHBondContact O-N 3.07Å; I49-L51 VanDerWaalsContact C-N 3.32Å; I49-L51 PolarHBondContact O-N 2.99Å; I49-G52 PolarHBondContact O-N 3.4Å; I49-E54 WeakPolarHBondContact CG2-OE1 3.43Å; I49-F80 HydrophobicContact CD1-CD2 3.73Å; I49-F80 HydrophobicContact CD1-CE2 4.19Å; I49-Y83 HydrophobicContact CD1-CD1 4.06Å; I49-Y83 HydrophobicContact CD1-CE1 4.26Å; I49-Y83 HydrophobicContact CD1-CG 4.29Å; I49-Y83 HydrophobicContact CG1-CD1 4.2Å; I49-Y83 HydrophobicContact CG1-CE1 3.91Å; I49-Y83 HydrophobicContact CG1-CE2 4.25Å; I49-Y83 HydrophobicContact CG1-CG 4.49Å; I49-G324 VanDerWaalsContact CG2-CA 3.47Å
50	K	96	Very high	93.1	Very high	17 Å²	17	36.8 Å²	36.8	7%	0.074	19%	0.192	C	C	.	.	H	α-helix	trans	-61.4	-40.8	175.7	-74.5	175.1	173.3	177.3	0	111.9	W46 T47 G52 Y280 E283 L284 C287	W46-K50 WeakPolarHBondContact O-CG 3.32Å; W46-K50 PolarHBondContact O-N 2.87Å; T47-K50 WeakPolarHBondContact O-CB 3.28Å; T47-K50 PolarHBondContact O-N 3.4Å; K50-G52 PolarHBondContact O-N 3.18Å; K50-Y280 VanDerWaalsContact CE-OH 3.24Å; K50-Y280 WeakPolarHBondContact CE-OH 3.22Å; K50-E283 IonicContact NZ-OE1 3.55Å; K50-E283 PolarHBondContact NZ-OE1 3.49Å; K50-L284 HydrophobicContact CB-CD1 3.75Å; K50-L284 HydrophobicContact CG-CD1 3.92Å; K50-L284 WeakPolarHBondContact O-CD1 3.44Å; K50-C287 HydrophobicContact CB-CB 4.4Å; K50-C287 HydrophobicContact CD-CB 4.21Å
51	L	96.1	Very high	92.7	Very high	14 Å²	14	40.6 Å²	40.6	7%	0.073	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-6.3	174.3	-65.5	176	0	0	0	113.6	T47 L48 I49 V192 A196 V291	T47-L51 HydrophobicContact CG2-CD1 4.3Å; T47-L51 WeakPolarHBondContact O-CG 3.02Å; T47-L51 PolarHBondContact O-N 3.48Å; L48-L51 CarbonylContact O-C 3.6Å; L48-L51 PolarHBondContact O-N 2.97Å; I49-L51 VanDerWaalsContact C-N 3.32Å; I49-L51 PolarHBondContact O-N 2.99Å; L51-V192 HydrophobicContact CD1-CG1 4.24Å; L51-V192 HydrophobicContact CD2-CG1 4.16Å; L51-A196 HydrophobicContact CD1-CB 3.68Å; L51-V291 HydrophobicContact CD2-CG1 4.22Å; L51-V291 HydrophobicContact CD2-CG2 3.78Å
52	G	93.1	Very high	91.9	Very high	11 Å²	11	43.7 Å²	43.7	11%	0.113	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.2	12.2	177.3	0	0	0	0	0	114.8	L48 I49 K50 E54 Q334	L48-G52 PolarHBondContact O-N 3.43Å; L48-G52 VanDerWaalsContact O-N 3.16Å; I49-G52 PolarHBondContact O-N 3.4Å; K50-G52 PolarHBondContact O-N 3.18Å; G52-E54 PolarHBondContact O-N 3Å; G52-Q334 PolarHBondContact O-NE2 2.86Å
53	Y	94.5	Very high	91	Very high	69 Å²	69	41 Å²	41	27%	0.271	22%	0.221	S	C	.	.			trans	-77.6	113.1	172.7	-178.6	-116.6	0	0	0	109.6	L48 P55 Y83 L87 I199	L48-Y53 HydrophobicContact CB-CD1 4.33Å; L48-Y53 HydrophobicContact CD1-CD1 4.33Å; L48-Y53 HydrophobicContact CD2-CD1 4.2Å; L48-Y53 PolarHBondContact O-N 3.32Å; Y53-P55 HydrophobicContact CD1-CG 4.38Å; Y53-P55 HydrophobicContact CE1-CB 4.42Å; Y53-P55 HydrophobicContact CE1-CG 3.79Å; Y53-Y83 VanDerWaalsContact CD1-OH 3.28Å; Y53-Y83 WeakPolarHBondContact CD1-OH 3.25Å; Y53-Y83 PolarHBondContact O-OH 3.29Å; Y53-L87 HydrophobicContact CE1-CD2 4.24Å; Y53-I199 HydrophobicContact CD1-CG1 4.1Å; Y53-I199 HydrophobicContact CD2-CD1 4.45Å; Y53-I199 HydrophobicContact CD2-CG1 4.09Å; Y53-I199 HydrophobicContact CD2-CG2 3.78Å; Y53-I199 HydrophobicContact CE2-CG2 3.92Å; Y53-I199 HydrophobicContact CG-CD1 4.1Å; Y53-I199 HydrophobicContact CG-CG1 3.84Å; Y53-I199 HydrophobicContact CG-CG2 4.4Å
54	E	93.1	Very high	90.1	Very high	11 Å²	11	42.6 Å²	42.6	5%	0.051	24%	0.24	C	C	.	.			trans	-133.1	80.3	-178.5	-66.5	-70.8	171.5	0	0	111	I49 G52 L56 Y77 Y83 R330 H332	I49-E54 WeakPolarHBondContact CG2-OE1 3.43Å; G52-E54 PolarHBondContact O-N 3Å; E54-L56 PolarHBondContact O-N 3Å; E54-Y77 HydrophobicContact CB-CD1 4.31Å; E54-Y77 HydrophobicContact CB-CE1 3.79Å; E54-Y77 HydrophobicContact CB-CE2 4.43Å; E54-Y77 HydrophobicContact CG-CD1 4.4Å; E54-Y77 HydrophobicContact CG-CD2 4.21Å; E54-Y77 HydrophobicContact CG-CE1 4.03Å; E54-Y77 HydrophobicContact CG-CE2 3.77Å; E54-Y77 HydrophobicContact CG-CG 4.49Å; E54-Y83 WeakPolarHBondContact OE2-CE2 3.25Å; E54-R330 VanDerWaalsContact CD-NH1 3.26Å; E54-R330 IonicContact OE1-CZ 3.64Å; E54-R330 IonicContact OE1-NH1 2.71Å; E54-R330 PolarHBondContact OE1-NH1 3.49Å; E54-R330 IonicContact OE1-NH2 3.9Å; E54-R330 IonicContact OE2-CZ 3.93Å; E54-R330 IonicContact OE2-NH1 3.96Å; E54-R330 PolarHBondContact OE2-NH1 2.72Å; E54-R330 VanDerWaalsContact OE2-NH1 3.1Å; E54-R330 IonicContact OE2-NH2 2.64Å; E54-R330 PolarHBondContact OE2-NH2 3.24Å; E54-H332 IonicContact OE1-NE2 3.84Å
55	P	90.6	Very high	89	Confident	51 Å²	51	47.4 Å²	47.4	33%	0.331	27%	0.265	S	S	.	.			trans	-66.5	-14.1	179.9	24.9	-37.6	0	0	0	114.7	Y53 Y83	Y53-P55 HydrophobicContact CD1-CG 4.38Å; Y53-P55 HydrophobicContact CE1-CB 4.42Å; Y53-P55 HydrophobicContact CE1-CG 3.79Å; P55-Y83 HydrophobicContact CG-CE2 4.11Å
56	L	91.8	Very high	87.7	Confident	30 Å²	30	48.5 Å²	48.5	16%	0.157	27%	0.274	C	S	.	.	S	Bend	trans	-102.5	126.3	-178	-62.4	174.9	0	0	0	110.5	E54 P78 K82 Y83 H86	E54-L56 PolarHBondContact O-N 3Å; L56-P78 HydrophobicContact CB-CG 3.5Å; L56-P78 HydrophobicContact CD1-CB 4.33Å; L56-P78 HydrophobicContact CD1-CG 3.53Å; L56-P78 HydrophobicContact CG-CG 4.16Å; L56-K82 HydrophobicContact CD1-CG 4.43Å; L56-Y83 HydrophobicContact CD1-CD2 4.47Å; L56-H86 HydrophobicContact CD1-CB 4.1Å; L56-H86 HydrophobicContact CD2-CB 4.42Å
57	A	89	Confident	86.4	Confident	76 Å²	76	50.4 Å²	50.4	63%	0.628	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-59.6	144.4	178	0	0	0	0	0	112.1
58	P	90.1	Very high	85.5	Confident	21 Å²	21	57.2 Å²	57.2	14%	0.136	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-65.8	146.2	175.8	29.3	-35.2	0	0	0	110.7	V76 Y77 V333 H337	P58-V76 CarbonylContact C-O 3.57Å; P58-V76 WeakPolarHBondContact CA-O 3.48Å; P58-Y77 HydrophobicContact CB-CD1 4.15Å; P58-Y77 HydrophobicContact CB-CE1 4.32Å; P58-V333 HydrophobicContact CB-CG1 3.89Å; P58-V333 HydrophobicContact CB-CG2 3.92Å; P58-V333 HydrophobicContact CG-CG1 3.79Å; P58-H337 HydrophobicContact CG-CB 4.21Å; P58-H337 WeakPolarHBondContact CG-O 3.34Å
59	V	87.3	Confident	84.2	Confident	81 Å²	81	60.4 Å²	60.4	49%	0.491	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	142.1	177	-176.9	0	0	0	0	108.4	F61 V76	V59-F61 PolarHBondContact O-N 3.13Å; V59-V76 PolarHBondContact N-O 3.32Å; V59-V76 PolarHBondContact O-N 3.46Å
60	Q	84.7	Confident	83.1	Confident	105 Å²	105	66.6 Å²	66.6	49%	0.491	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	119.4	172.7	-169.7	175	15.2	0	0	109.4	P73 Y75	Q60-P73 HydrophobicContact CG-CB 3.67Å; Q60-P73 HydrophobicContact CG-CG 4.38Å; Q60-P73 VanDerWaalsContact NE2-CB 3.3Å; Q60-Y75 HydrophobicContact CB-CD1 4.3Å; Q60-Y75 HydrophobicContact CB-CE1 4.02Å; Q60-Y75 HydrophobicContact CG-CE1 4.47Å
61	F	83	Confident	82.1	Confident	80 Å²	80	67.8 Å²	67.8	35%	0.351	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	118.1	176.2	179	-100.4	0	0	0	109.9	V59 I74 V76 L329	V59-F61 PolarHBondContact O-N 3.13Å; F61-I74 PolarHBondContact N-O 3.19Å; F61-I74 PolarHBondContact O-N 3.43Å; F61-V76 HydrophobicContact CB-CG1 4.28Å; F61-V76 HydrophobicContact CB-CG2 3.6Å; F61-V76 HydrophobicContact CG-CG2 4.41Å; F61-L329 HydrophobicContact CD1-CD2 3.83Å; F61-L329 HydrophobicContact CD2-CD2 4Å; F61-L329 HydrophobicContact CE1-CD2 3.72Å; F61-L329 HydrophobicContact CE2-CD2 3.91Å; F61-L329 HydrophobicContact CG-CD2 3.96Å; F61-L329 HydrophobicContact CZ-CD2 3.77Å
62	S	76.2	Confident	81.1	Confident	74 Å²	74	71.6 Å²	71.6	52%	0.517	42%	0.424	S	S	.	.			trans	-94.4	114.9	170.9	-59.7	0	0	0	0	108.1
63	S	74.5	Confident	80.4	Confident	22 Å²	22	73.7 Å²	73.7	15%	0.154	44%	0.436	C	S	.	.			trans	-60.8	156	174.7	67.3	0	0	0	0	110.1	L65 A66 S71	S63-L65 PolarHBondContact O-N 3.47Å; S63-L65 VanDerWaalsContact O-N 3.07Å; S63-A66 WeakPolarHBondContact O-CA 3.45Å; S63-A66 WeakPolarHBondContact O-CB 3.31Å; S63-A66 PolarHBondContact O-N 3.21Å; S63-A66 PolarHBondContact OG-N 3.43Å; S63-S71 WeakPolarHBondContact OG-CB 3.3Å; S63-S71 PolarHBondContact OG-OG 2.89Å
64	P	74.5	Confident	79.8	Confident	99 Å²	99	74.9 Å²	74.9	64%	0.643	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-55.2	-26.9	171.5	-26.1	34.7	0	0	0	112.8	A66 L67	P64-A66 VanDerWaalsContact C-N 3.3Å; P64-A66 PolarHBondContact O-N 2.86Å; P64-L67 WeakPolarHBondContact O-CB 3.48Å; P64-L67 PolarHBondContact O-N 3.01Å
65	L	73.8	Confident	79.6	Confident	101 Å²	101	78 Å²	78	53%	0.529	46%	0.457	S	S	.	.	G	3₁₀ helix	trans	-70.7	-24.9	174.4	-60.7	98.7	0	0	0	113	S63 L67 F68 G69 L70	S63-L65 PolarHBondContact O-N 3.47Å; S63-L65 VanDerWaalsContact O-N 3.07Å; L65-L67 PolarHBondContact O-N 3.24Å; L65-F68 PolarHBondContact O-N 3.14Å; L65-F68 VanDerWaalsContact O-N 3.13Å; L65-G69 PolarHBondContact O-N 3.4Å; L65-L70 HydrophobicContact CB-CB 4.46Å; L65-L70 PolarHBondContact O-N 3.03Å; L65-L70 VanDerWaalsContact O-N 3.14Å
66	A	68.1	Low	79.5	Confident	24 Å²	24	76.3 Å²	76.3	20%	0.198	45%	0.446	C	S	.	.	G	3₁₀ helix	trans	-64.5	-26.7	171.9	0	0	0	0	0	111.7	S63 P64 F68 G69 S71	S63-A66 WeakPolarHBondContact O-CA 3.45Å; S63-A66 WeakPolarHBondContact O-CB 3.31Å; S63-A66 PolarHBondContact O-N 3.21Å; S63-A66 PolarHBondContact OG-N 3.43Å; P64-A66 VanDerWaalsContact C-N 3.3Å; P64-A66 PolarHBondContact O-N 2.86Å; A66-F68 PolarHBondContact O-N 3.37Å; A66-G69 PolarHBondContact O-N 2.91Å; A66-S71 WeakPolarHBondContact CA-O 3.38Å; A66-S71 WeakPolarHBondContact CB-O 3.16Å
67	L	69	Low	79.6	Confident	152 Å²	152	74.9 Å²	74.9	80%	0.796	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-60.1	-34.5	172.9	-164.2	95.5	0	0	0	111.7	P64 L65 G69	P64-L67 WeakPolarHBondContact O-CB 3.48Å; P64-L67 PolarHBondContact O-N 3.01Å; L65-L67 PolarHBondContact O-N 3.24Å; L67-G69 VanDerWaalsContact C-N 3.29Å
68	F	76.7	Confident	79.7	Confident	161 Å²	161	72 Å²	72	71%	0.706	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-88.1	4.8	176.2	-63	-75.5	0	0	0	112.9	L65 A66 L70	L65-F68 PolarHBondContact O-N 3.14Å; L65-F68 VanDerWaalsContact O-N 3.13Å; A66-F68 PolarHBondContact O-N 3.37Å; F68-L70 HydrophobicContact CB-CD1 3.26Å; F68-L70 HydrophobicContact CG-CD1 4.36Å; F68-L70 WeakPolarHBondContact O-CD1 3.41Å; F68-L70 PolarHBondContact O-N 3.38Å
69	G	70.2	Confident	79.8	Confident	68 Å²	68	74.6 Å²	74.6	70%	0.701	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.9	8.8	-177	0	0	0	0	0	114.9	L65 A66 L67	L65-G69 PolarHBondContact O-N 3.4Å; A66-G69 PolarHBondContact O-N 2.91Å; L67-G69 VanDerWaalsContact C-N 3.29Å
70	L	73.6	Confident	80	Confident	132 Å²	132	71.6 Å²	71.6	69%	0.691	41%	0.407	S	S	*	.	S	Bend	trans	-82.4	-12.3	-179	-75.2	100.6	0	0	0	113.8	L65 F68	L65-L70 HydrophobicContact CB-CB 4.46Å; L65-L70 PolarHBondContact O-N 3.03Å; L65-L70 VanDerWaalsContact O-N 3.14Å; F68-L70 HydrophobicContact CB-CD1 3.26Å; F68-L70 HydrophobicContact CG-CD1 4.36Å; F68-L70 WeakPolarHBondContact O-CD1 3.41Å; F68-L70 PolarHBondContact O-N 3.38Å
71	S	73.9	Confident	80.4	Confident	41 Å²	41	71.9 Å²	71.9	29%	0.287	41%	0.407	S	S	.	.	S	Bend	trans	-139.5	131.8	-174.3	-174.8	0	0	0	0	111	S63 A66	S63-S71 WeakPolarHBondContact OG-CB 3.3Å; S63-S71 PolarHBondContact OG-OG 2.89Å; A66-S71 WeakPolarHBondContact CA-O 3.38Å; A66-S71 WeakPolarHBondContact CB-O 3.16Å
72	S	75.8	Confident	80.9	Confident	94 Å²	94	74.3 Å²	74.3	66%	0.657	42%	0.417	S	S	*	.			trans	-69.5	148.5	165.6	28.4	0	0	0	0	110.5
73	P	77.5	Confident	81.8	Confident	56 Å²	56	70.8 Å²	70.8	36%	0.364	39%	0.392	S	S	.	.			trans	-68.3	140.6	176.7	27.9	-34.4	0	0	0	111	Q60	Q60-P73 HydrophobicContact CG-CB 3.67Å; Q60-P73 HydrophobicContact CG-CG 4.38Å; Q60-P73 VanDerWaalsContact NE2-CB 3.3Å
74	I	83.1	Confident	82.8	Confident	93 Å²	93	69.9 Å²	69.9	48%	0.477	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	139.6	-176.1	-54	173.6	0	0	0	109	F61 V76	F61-I74 PolarHBondContact N-O 3.19Å; F61-I74 PolarHBondContact O-N 3.43Å; I74-V76 HydrophobicContact CG2-CG1 4.49Å
75	Y	87.6	Confident	83.9	Confident	77 Å²	77	72 Å²	72	30%	0.302	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	130.7	171.6	-69.9	-80.9	0	0	0	110.6	Q60 V333 L338 P339	Q60-Y75 HydrophobicContact CB-CD1 4.3Å; Q60-Y75 HydrophobicContact CB-CE1 4.02Å; Q60-Y75 HydrophobicContact CG-CE1 4.47Å; Y75-V333 WeakPolarHBondContact O-CG2 3.34Å; Y75-L338 HydrophobicContact CD2-CD2 3.96Å; Y75-L338 HydrophobicContact CG-CD2 4.14Å; Y75-P339 HydrophobicContact CE1-CG 3.87Å; Y75-P339 HydrophobicContact CE2-CG 4.29Å
76	V	90.1	Very high	84.9	Confident	16 Å²	16	69.6 Å²	69.6	10%	0.097	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	142.1	178	-60.8	0	0	0	0	110.2	P58 V59 F61 I74 R330	P58-V76 CarbonylContact C-O 3.57Å; P58-V76 WeakPolarHBondContact CA-O 3.48Å; V59-V76 PolarHBondContact N-O 3.32Å; V59-V76 PolarHBondContact O-N 3.46Å; F61-V76 HydrophobicContact CB-CG1 4.28Å; F61-V76 HydrophobicContact CB-CG2 3.6Å; F61-V76 HydrophobicContact CG-CG2 4.41Å; I74-V76 HydrophobicContact CG2-CG1 4.49Å; V76-R330 CarbonylContact C-O 3.6Å; V76-R330 WeakPolarHBondContact CA-O 3.41Å
77	Y	93.2	Very high	86.2	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-67.2	152.6	168.2	-69.9	-60.1	0	0	0	110.9	E54 P58 R330 H332 V333 Q334 H337	E54-Y77 HydrophobicContact CB-CD1 4.31Å; E54-Y77 HydrophobicContact CB-CE1 3.79Å; E54-Y77 HydrophobicContact CB-CE2 4.43Å; E54-Y77 HydrophobicContact CG-CD1 4.4Å; E54-Y77 HydrophobicContact CG-CD2 4.21Å; E54-Y77 HydrophobicContact CG-CE1 4.03Å; E54-Y77 HydrophobicContact CG-CE2 3.77Å; E54-Y77 HydrophobicContact CG-CG 4.49Å; P58-Y77 HydrophobicContact CB-CD1 4.15Å; P58-Y77 HydrophobicContact CB-CE1 4.32Å; Y77-R330 PolarHBondContact N-O 3.26Å; Y77-H332 WeakPolarHBondContact CE2-O 3.3Å; Y77-V333 HydrophobicContact CD2-CG2 4.36Å; Y77-V333 HydrophobicContact CE1-CG1 4.49Å; Y77-V333 HydrophobicContact CE2-CB 4.45Å; Y77-V333 HydrophobicContact CE2-CG2 4.38Å; Y77-Q334 PolarHBondContact OH-N 2.85Å; Y77-H337 HydrophobicContact CE1-CB 4.4Å; Y77-H337 AromaticContact CE1-ND1 3.66Å; Y77-H337 AromaticContact CZ-ND1 3.64Å; Y77-H337 PolarHBondContact OH-ND1 2.75Å
78	P	90.5	Very high	87.5	Confident	14 Å²	14	63.6 Å²	63.6	9%	0.091	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-58.8	156.4	176.6	23.4	-33.8	0	0	0	112	L56 K82 R330	L56-P78 HydrophobicContact CB-CG 3.5Å; L56-P78 HydrophobicContact CD1-CB 4.33Å; L56-P78 HydrophobicContact CD1-CG 3.53Å; L56-P78 HydrophobicContact CG-CG 4.16Å; P78-K82 HydrophobicContact CB-CB 4.41Å; P78-K82 HydrophobicContact CB-CD 3.93Å; P78-K82 HydrophobicContact CB-CG 4.4Å; P78-R330 VanDerWaalsContact O-CZ 3.27Å; P78-R330 PolarHBondContact O-NE 3.17Å; P78-R330 PolarHBondContact O-NH2 2.83Å
79	N	91.6	Very high	88.5	Confident	77 Å²	77	63.4 Å²	63.4	41%	0.412	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-55.6	148.9	179.8	-65.5	-30.2	0	0	0	112.2	F81 K82 Y83 F328	N79-F81 VanDerWaalsContact C-N 3.27Å; N79-F81 PolarHBondContact O-N 2.62Å; N79-K82 WeakPolarHBondContact O-CB 3.44Å; N79-K82 PolarHBondContact O-N 3.49Å; N79-Y83 PolarHBondContact O-N 3.04Å; N79-F328 HydrophobicContact CB-CD1 4.35Å
80	F	91.5	Very high	89.6	Confident	18 Å²	18	63.9 Å²	63.9	8%	0.079	32%	0.321	C	S	.	.	H	α-helix	trans	-49.6	-43.5	179.2	178.9	-105.2	0	0	0	113.8	F42 A45 W46 I49 K82 Y83 T84 P327	F42-F80 HydrophobicContact CB-CE1 3.67Å; F42-F80 HydrophobicContact CB-CZ 3.63Å; F42-F80 HydrophobicContact CD1-CD1 4.09Å; F42-F80 AromaticContact CD1-CE1 3.29Å; F42-F80 HydrophobicContact CD1-CE1 3.29Å; F42-F80 AromaticContact CD1-CZ 3.97Å; F42-F80 HydrophobicContact CD1-CZ 3.97Å; F42-F80 HydrophobicContact CE1-CE1 4.2Å; F42-F80 AromaticContact CG-CE1 3.78Å; F42-F80 HydrophobicContact CG-CE1 3.78Å; F42-F80 HydrophobicContact CG-CZ 4.23Å; F42-F80 WeakPolarHBondContact O-CZ 3.5Å; A45-F80 HydrophobicContact CB-CD2 4.4Å; A45-F80 HydrophobicContact CB-CE2 3.74Å; A45-F80 HydrophobicContact CB-CZ 4.11Å; W46-F80 HydrophobicContact CB-CE2 3.85Å; W46-F80 HydrophobicContact CB-CZ 4.24Å; W46-F80 HydrophobicContact CG-CE2 4.31Å; I49-F80 HydrophobicContact CD1-CD2 3.73Å; I49-F80 HydrophobicContact CD1-CE2 4.19Å; F80-K82 PolarHBondContact O-N 3.33Å; F80-Y83 VanDerWaalsContact O-CB 3.31Å; F80-Y83 WeakPolarHBondContact O-CB 3.31Å; F80-Y83 PolarHBondContact O-N 3.21Å; F80-T84 PolarHBondContact O-N 3.19Å; F80-T84 PolarHBondContact O-OG1 2.97Å; F80-T84 VanDerWaalsContact O-OG1 3.07Å; F80-P327 HydrophobicContact CB-CB 3.85Å; F80-P327 WeakPolarHBondContact CB-O 3.47Å; F80-P327 HydrophobicContact CG-CB 4.27Å; F80-P327 PolarHBondContact N-O 3.35Å
81	F	94.4	Very high	90.6	Very high	111 Å²	111	59.5 Å²	59.5	49%	0.487	30%	0.297	S	S	.	.	H	α-helix	trans	-63.2	-39.8	177.8	-64	-79	0	0	0	113.4	F42 N79 Y83 T84 Y85 F328	F42-F81 AromaticContact CE1-CD1 3.74Å; F42-F81 HydrophobicContact CE1-CD1 3.74Å; F42-F81 AromaticContact CE1-CE1 3.8Å; F42-F81 HydrophobicContact CE1-CE1 3.8Å; F42-F81 HydrophobicContact CZ-CD1 4.16Å; F42-F81 AromaticContact CZ-CE1 3.93Å; F42-F81 HydrophobicContact CZ-CE1 3.93Å; N79-F81 VanDerWaalsContact C-N 3.27Å; N79-F81 PolarHBondContact O-N 2.62Å; F81-Y83 VanDerWaalsContact C-N 3.29Å; F81-Y83 PolarHBondContact O-N 3.5Å; F81-T84 PolarHBondContact O-N 2.91Å; F81-Y85 WeakPolarHBondContact O-CB 3.21Å; F81-Y85 PolarHBondContact O-N 3.16Å; F81-F328 AromaticContact CD2-CE1 3.98Å; F81-F328 HydrophobicContact CD2-CE1 3.98Å; F81-F328 HydrophobicContact CD2-CZ 4.43Å; F81-F328 AromaticContact CE2-CE1 3.77Å; F81-F328 HydrophobicContact CE2-CE1 3.77Å; F81-F328 AromaticContact CE2-CZ 3.76Å; F81-F328 HydrophobicContact CE2-CZ 3.76Å
82	K	93.8	Very high	91.5	Very high	130 Å²	130	58.8 Å²	58.8	57%	0.565	30%	0.297	S	S	*	.	H	α-helix	trans	-65.6	-37.9	176.1	-174.8	172.7	-179.5	-179.2	0	110.6	L56 P78 N79 F80 H86	L56-K82 HydrophobicContact CD1-CG 4.43Å; P78-K82 HydrophobicContact CB-CB 4.41Å; P78-K82 HydrophobicContact CB-CD 3.93Å; P78-K82 HydrophobicContact CB-CG 4.4Å; N79-K82 WeakPolarHBondContact O-CB 3.44Å; N79-K82 PolarHBondContact O-N 3.49Å; F80-K82 PolarHBondContact O-N 3.33Å; K82-H86 WeakPolarHBondContact O-CB 3.46Å; K82-H86 PolarHBondContact O-N 3.24Å
83	Y	95	Very high	92.4	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-63.5	-49.6	174.3	-172.6	-84.6	0	0	0	111.9	A45 L48 I49 Y53 E54 P55 L56 N79 F80 F81 Y85 H86 L87	A45-Y83 HydrophobicContact CB-CD1 3.82Å; A45-Y83 HydrophobicContact CB-CE1 4.12Å; L48-Y83 HydrophobicContact CB-CE1 4.35Å; I49-Y83 HydrophobicContact CD1-CD1 4.06Å; I49-Y83 HydrophobicContact CD1-CE1 4.26Å; I49-Y83 HydrophobicContact CD1-CG 4.29Å; I49-Y83 HydrophobicContact CG1-CD1 4.2Å; I49-Y83 HydrophobicContact CG1-CE1 3.91Å; I49-Y83 HydrophobicContact CG1-CE2 4.25Å; I49-Y83 HydrophobicContact CG1-CG 4.49Å; Y53-Y83 VanDerWaalsContact CD1-OH 3.28Å; Y53-Y83 WeakPolarHBondContact CD1-OH 3.25Å; Y53-Y83 PolarHBondContact O-OH 3.29Å; E54-Y83 WeakPolarHBondContact OE2-CE2 3.25Å; P55-Y83 HydrophobicContact CG-CE2 4.11Å; L56-Y83 HydrophobicContact CD1-CD2 4.47Å; N79-Y83 PolarHBondContact O-N 3.04Å; F80-Y83 VanDerWaalsContact O-CB 3.31Å; F80-Y83 WeakPolarHBondContact O-CB 3.31Å; F80-Y83 PolarHBondContact O-N 3.21Å; F81-Y83 VanDerWaalsContact C-N 3.29Å; F81-Y83 PolarHBondContact O-N 3.5Å; Y83-Y85 PolarHBondContact O-N 2.81Å; Y83-H86 WeakPolarHBondContact O-CB 3.44Å; Y83-H86 PolarHBondContact O-N 3.47Å; Y83-L87 HydrophobicContact CD1-CD1 3.86Å; Y83-L87 HydrophobicContact CD1-CG 4.18Å; Y83-L87 HydrophobicContact CE1-CD1 3.48Å; Y83-L87 VanDerWaalsContact CE1-CD1 3.48Å; Y83-L87 HydrophobicContact CE1-CD2 4.29Å; Y83-L87 HydrophobicContact CE1-CG 3.92Å; Y83-L87 WeakPolarHBondContact O-CG 3.48Å; Y83-L87 PolarHBondContact O-N 3.5Å
84	T	95.5	Very high	93.1	Very high	3 Å²	3	65.3 Å²	65.3	2%	0.018	31%	0.308	C	S	.	.	H	α-helix	trans	-60.2	-43.7	176.2	-51.3	0	0	0	0	111.8	P41 F42 A45 F80 F81 H86 L87 M88	P41-T84 HydrophobicContact CB-CG2 3.83Å; F42-T84 HydrophobicContact CD1-CG2 3.95Å; F42-T84 HydrophobicContact CE1-CG2 4.11Å; A45-T84 HydrophobicContact CB-CG2 4.44Å; A45-T84 VanDerWaalsContact CB-OG1 3.28Å; A45-T84 WeakPolarHBondContact CB-OG1 3.13Å; F80-T84 PolarHBondContact O-N 3.19Å; F80-T84 PolarHBondContact O-OG1 2.97Å; F80-T84 VanDerWaalsContact O-OG1 3.07Å; F81-T84 PolarHBondContact O-N 2.91Å; T84-H86 VanDerWaalsContact C-N 3.35Å; T84-H86 PolarHBondContact O-N 2.87Å; T84-L87 PolarHBondContact O-N 3.35Å; T84-M88 HydrophobicContact CG2-CE 4.28Å; T84-M88 WeakPolarHBondContact O-CG 3.41Å; T84-M88 PolarHBondContact O-N 3.29Å
85	Y	96.1	Very high	93.6	Very high	144 Å²	144	64.7 Å²	64.7	57%	0.565	30%	0.302	S	S	*	.	H	α-helix	trans	-59.7	-44.4	175.4	176.2	-97.9	0	0	0	112.1	F81 Y83 L87 M88 K89	F81-Y85 WeakPolarHBondContact O-CB 3.21Å; F81-Y85 PolarHBondContact O-N 3.16Å; Y83-Y85 PolarHBondContact O-N 2.81Å; Y85-L87 PolarHBondContact O-N 3.45Å; Y85-M88 PolarHBondContact O-N 2.72Å; Y85-K89 HydrophobicContact CE1-CD 4.39Å; Y85-K89 PolarHBondContact O-N 2.86Å
86	H	96	Very high	93.9	Very high	50 Å²	50	61 Å²	61	23%	0.231	29%	0.287	C	S	.	.	H	α-helix	trans	-58.6	-48.1	175.7	178.6	-92.5	0	0	0	111.5	L56 K82 Y83 T84 M88 K89 T90	L56-H86 HydrophobicContact CD1-CB 4.1Å; L56-H86 HydrophobicContact CD2-CB 4.42Å; K82-H86 WeakPolarHBondContact O-CB 3.46Å; K82-H86 PolarHBondContact O-N 3.24Å; Y83-H86 WeakPolarHBondContact O-CB 3.44Å; Y83-H86 PolarHBondContact O-N 3.47Å; T84-H86 VanDerWaalsContact C-N 3.35Å; T84-H86 PolarHBondContact O-N 2.87Å; H86-M88 VanDerWaalsContact C-N 3.35Å; H86-M88 PolarHBondContact O-N 3.01Å; H86-K89 PolarHBondContact O-N 2.88Å; H86-K89 VanDerWaalsContact O-N 3.13Å; H86-T90 WeakPolarHBondContact O-CG2 3.27Å; H86-T90 PolarHBondContact O-N 3Å; H86-T90 PolarHBondContact O-OG1 3.12Å; H86-T90 VanDerWaalsContact O-OG1 3.06Å
87	L	96	Very high	94	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-57.7	-45.9	176.9	-68.4	177.6	0	0	0	112.4	A45 L48 Y53 Y83 T84 Y85 K89 T90 I91 V96	A45-L87 HydrophobicContact CB-CD1 3.99Å; L48-L87 HydrophobicContact CD1-CD1 3.63Å; L48-L87 HydrophobicContact CD1-CD2 3.91Å; L48-L87 HydrophobicContact CD1-CG 4.45Å; Y53-L87 HydrophobicContact CE1-CD2 4.24Å; Y83-L87 HydrophobicContact CD1-CD1 3.86Å; Y83-L87 HydrophobicContact CD1-CG 4.18Å; Y83-L87 HydrophobicContact CE1-CD1 3.48Å; Y83-L87 VanDerWaalsContact CE1-CD1 3.48Å; Y83-L87 HydrophobicContact CE1-CD2 4.29Å; Y83-L87 HydrophobicContact CE1-CG 3.92Å; Y83-L87 WeakPolarHBondContact O-CG 3.48Å; Y83-L87 PolarHBondContact O-N 3.5Å; T84-L87 PolarHBondContact O-N 3.35Å; Y85-L87 PolarHBondContact O-N 3.45Å; L87-K89 VanDerWaalsContact C-N 3.26Å; L87-K89 PolarHBondContact O-N 3.23Å; L87-T90 PolarHBondContact O-N 3.22Å; L87-T90 PolarHBondContact O-OG1 3.21Å; L87-I91 HydrophobicContact CB-CD1 4.47Å; L87-I91 HydrophobicContact CD2-CD1 3.76Å; L87-I91 VanDerWaalsContact O-CB 3.3Å; L87-I91 WeakPolarHBondContact O-CB 3.32Å; L87-I91 PolarHBondContact O-N 3.16Å; L87-V96 HydrophobicContact CB-CG2 4.32Å
88	M	95.7	Very high	93.9	Very high	51 Å²	51	66.2 Å²	66.2	25%	0.251	32%	0.32	S	S	.	.	H	α-helix	trans	-61.9	-36.1	178.4	-71.8	-171.2	-61.8	0	0	112	P41 T84 Y85 H86 G92 V93 V96	P41-M88 HydrophobicContact CB-SD 4.43Å; T84-M88 HydrophobicContact CG2-CE 4.28Å; T84-M88 WeakPolarHBondContact O-CG 3.41Å; T84-M88 PolarHBondContact O-N 3.29Å; Y85-M88 PolarHBondContact O-N 2.72Å; H86-M88 VanDerWaalsContact C-N 3.35Å; H86-M88 PolarHBondContact O-N 3.01Å; M88-G92 CarbonylContact O-C 3.46Å; M88-G92 VanDerWaalsContact O-C 3.25Å; M88-G92 WeakPolarHBondContact O-CA 3.39Å; M88-G92 PolarHBondContact O-N 3.02Å; M88-G92 VanDerWaalsContact O-N 3.14Å; M88-V93 HydrophobicContact CB-CG2 4.17Å; M88-V93 PolarHBondContact O-N 3.39Å; M88-V96 HydrophobicContact CG-CB 4.3Å; M88-V96 HydrophobicContact CG-CG1 4.14Å
89	K	96.4	Very high	94.1	Very high	157 Å²	157	66.1 Å²	66.1	68%	0.683	32%	0.32	S	S	*	.	H	α-helix	trans	-72.8	-40	177.1	-172.4	175.5	-179.5	177.1	0	112.8	Y85 H86 L87	Y85-K89 HydrophobicContact CE1-CD 4.39Å; Y85-K89 PolarHBondContact O-N 2.86Å; H86-K89 PolarHBondContact O-N 2.88Å; H86-K89 VanDerWaalsContact O-N 3.13Å; L87-K89 VanDerWaalsContact C-N 3.26Å; L87-K89 PolarHBondContact O-N 3.23Å
90	T	94.9	Very high	94.2	Very high	78 Å²	78	62.5 Å²	62.5	48%	0.479	30%	0.3	S	S	.	.	H	α-helix	trans	-87.9	-36.9	-174.1	56.9	0	0	0	0	114	H86 L87	H86-T90 WeakPolarHBondContact O-CG2 3.27Å; H86-T90 PolarHBondContact O-N 3Å; H86-T90 PolarHBondContact O-OG1 3.12Å; H86-T90 VanDerWaalsContact O-OG1 3.06Å; L87-T90 PolarHBondContact O-N 3.22Å; L87-T90 PolarHBondContact O-OG1 3.21Å
91	I	93.4	Very high	94.3	Very high	39 Å²	39	64.1 Å²	64.1	20%	0.2	31%	0.309	C	S	.	.	H	α-helix	trans	-95.9	-27.3	-177	-57.8	175.2	0	0	0	110.8	L87 K95 V96 L198	L87-I91 HydrophobicContact CB-CD1 4.47Å; L87-I91 HydrophobicContact CD2-CD1 3.76Å; L87-I91 VanDerWaalsContact O-CB 3.3Å; L87-I91 WeakPolarHBondContact O-CB 3.32Å; L87-I91 PolarHBondContact O-N 3.16Å; I91-K95 HydrophobicContact CG2-CB 4.16Å; I91-K95 HydrophobicContact CG2-CD 3.75Å; I91-K95 HydrophobicContact CG2-CG 3.99Å; I91-V96 HydrophobicContact CB-CG2 4.03Å; I91-V96 HydrophobicContact CG2-CG2 4.15Å; I91-L198 HydrophobicContact CD1-CB 4.21Å; I91-L198 HydrophobicContact CG2-CD2 4.23Å
92	G	94	Very high	94.2	Very high	27 Å²	27	64.6 Å²	64.6	28%	0.278	31%	0.312	S	S	.	.			trans	104.9	136.4	-176.7	0	0	0	0	0	112.2	M88 W94 K95 V96	M88-G92 CarbonylContact O-C 3.46Å; M88-G92 VanDerWaalsContact O-C 3.25Å; M88-G92 WeakPolarHBondContact O-CA 3.39Å; M88-G92 PolarHBondContact O-N 3.02Å; M88-G92 VanDerWaalsContact O-N 3.14Å; G92-W94 PolarHBondContact O-N 2.99Å; G92-K95 PolarHBondContact O-N 3.35Å; G92-V96 WeakPolarHBondContact O-CG2 3.32Å; G92-V96 PolarHBondContact O-N 3.29Å; G92-V96 VanDerWaalsContact O-N 3.09Å
93	V	94.1	Very high	94.3	Very high	75 Å²	75	58.4 Å²	58.4	46%	0.455	29%	0.285	S	S	.	.	H	α-helix	trans	-55.4	-49.8	-176.4	178.2	0	0	0	0	111.5	M88 K95 V96 L97	M88-V93 HydrophobicContact CB-CG2 4.17Å; M88-V93 PolarHBondContact O-N 3.39Å; V93-K95 PolarHBondContact O-N 2.79Å; V93-V96 PolarHBondContact O-N 2.96Å; V93-L97 HydrophobicContact CG1-CD1 3.6Å; V93-L97 HydrophobicContact CG1-CG 4.4Å; V93-L97 WeakPolarHBondContact O-CB 3.47Å; V93-L97 WeakPolarHBondContact O-CG 3.41Å; V93-L97 PolarHBondContact O-N 3.36Å
94	W	92.7	Very high	94.2	Very high	212 Å²	212	59 Å²	59	80%	0.803	29%	0.288	S	S	*	.	H	α-helix	trans	-64.6	-36.5	-178	-66.4	123.4	0	0	0	113.8	G92 L97 S98	G92-W94 PolarHBondContact O-N 2.99Å; W94-L97 HydrophobicContact CE3-CD1 4.17Å; W94-L97 HydrophobicContact CZ3-CD1 4.32Å; W94-S98 WeakPolarHBondContact O-CB 3.3Å; W94-S98 PolarHBondContact O-N 3.38Å; W94-S98 PolarHBondContact O-OG 3.19Å
95	K	92.6	Very high	94	Very high	79 Å²	79	60.6 Å²	60.6	34%	0.343	30%	0.301	S	S	.	.	H	α-helix	trans	-69.8	-46.3	178.8	-171.4	168.7	-178.4	-176.2	0	110.1	I91 G92 V93 L97 S98 T99 L198	I91-K95 HydrophobicContact CG2-CB 4.16Å; I91-K95 HydrophobicContact CG2-CD 3.75Å; I91-K95 HydrophobicContact CG2-CG 3.99Å; G92-K95 PolarHBondContact O-N 3.35Å; V93-K95 PolarHBondContact O-N 2.79Å; K95-L97 VanDerWaalsContact C-N 3.34Å; K95-L97 PolarHBondContact O-N 2.96Å; K95-S98 PolarHBondContact O-N 3.05Å; K95-S98 PolarHBondContact O-OG 3.2Å; K95-T99 WeakPolarHBondContact O-CB 3.34Å; K95-T99 PolarHBondContact O-N 3.46Å; K95-T99 PolarHBondContact O-OG1 2.81Å; K95-L198 HydrophobicContact CD-CD2 4.19Å; K95-L198 HydrophobicContact CG-CD2 4.06Å
96	V	94.1	Very high	93.9	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-63.1	-39.7	176.5	175.7	0	0	0	0	111.6	P41 V44 L87 M88 I91 G92 V93	P41-V96 HydrophobicContact CB-CG1 3.86Å; P41-V96 HydrophobicContact CG-CG1 4.44Å; V44-V96 HydrophobicContact CB-CG1 4.31Å; V44-V96 HydrophobicContact CG1-CG1 4.25Å; L87-V96 HydrophobicContact CB-CG2 4.32Å; M88-V96 HydrophobicContact CG-CB 4.3Å; M88-V96 HydrophobicContact CG-CG1 4.14Å; I91-V96 HydrophobicContact CB-CG2 4.03Å; I91-V96 HydrophobicContact CG2-CG2 4.15Å; G92-V96 WeakPolarHBondContact O-CG2 3.32Å; G92-V96 PolarHBondContact O-N 3.29Å; G92-V96 VanDerWaalsContact O-N 3.09Å; V93-V96 PolarHBondContact O-N 2.96Å
97	L	92.1	Very high	93.8	Very high	52 Å²	52	54.1 Å²	54.1	27%	0.272	28%	0.278	S	S	.	.	H	α-helix	trans	-66.8	-39.6	177.2	-79.6	165.9	0	0	0	113.4	N40 P41 V93 W94 K95	N40-L97 PolarHBondContact ND2-O 3.37Å; P41-L97 HydrophobicContact CG-CD2 3.35Å; P41-L97 HydrophobicContact CG-CG 4Å; V93-L97 HydrophobicContact CG1-CD1 3.6Å; V93-L97 HydrophobicContact CG1-CG 4.4Å; V93-L97 WeakPolarHBondContact O-CB 3.47Å; V93-L97 WeakPolarHBondContact O-CG 3.41Å; V93-L97 PolarHBondContact O-N 3.36Å; W94-L97 HydrophobicContact CE3-CD1 4.17Å; W94-L97 HydrophobicContact CZ3-CD1 4.32Å; K95-L97 VanDerWaalsContact C-N 3.34Å; K95-L97 PolarHBondContact O-N 2.96Å
98	S	91.9	Very high	93.6	Very high	73 Å²	73	55.3 Å²	55.3	51%	0.51	29%	0.285	S	S	.	.	H	α-helix	trans	-89.6	-18.8	-174.2	59.7	0	0	0	0	114.4	W94 K95 G100 L101	W94-S98 WeakPolarHBondContact O-CB 3.3Å; W94-S98 PolarHBondContact O-N 3.38Å; W94-S98 PolarHBondContact O-OG 3.19Å; K95-S98 PolarHBondContact O-N 3.05Å; K95-S98 PolarHBondContact O-OG 3.2Å; S98-G100 PolarHBondContact O-N 3.34Å; S98-L101 VanDerWaalsContact O-CB 3.31Å; S98-L101 WeakPolarHBondContact O-CB 3.48Å; S98-L101 PolarHBondContact O-N 3.42Å
99	T	94.8	Very high	93.5	Very high	13 Å²	13	58 Å²	58	8%	0.08	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	126.3	-177.3	-62.7	0	0	0	0	111.4	N40 K95 L101 Q194 I195 L198	N40-T99 PolarHBondContact ND2-O 3Å; K95-T99 WeakPolarHBondContact O-CB 3.34Å; K95-T99 PolarHBondContact O-N 3.46Å; K95-T99 PolarHBondContact O-OG1 2.81Å; T99-L101 PolarHBondContact O-N 3.41Å; T99-Q194 HydrophobicContact CG2-CB 4.22Å; T99-Q194 WeakPolarHBondContact CG2-O 3.27Å; T99-I195 HydrophobicContact CG2-CG1 4Å; T99-L198 HydrophobicContact CG2-CD1 3.94Å; T99-L198 HydrophobicContact CG2-CD2 4.27Å; T99-L198 HydrophobicContact CG2-CG 4.07Å
100	G	93.6	Very high	93.3	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.01	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	67	2.9	178.4	0	0	0	0	0	114.9	S98 F102 A103 N104	S98-G100 PolarHBondContact O-N 3.34Å; G100-F102 PolarHBondContact O-N 3.34Å; G100-A103 PolarHBondContact O-N 3.1Å; G100-N104 VanDerWaalsContact O-CB 3.27Å; G100-N104 WeakPolarHBondContact O-CB 3.3Å; G100-N104 VanDerWaalsContact O-CG 3.3Å; G100-N104 PolarHBondContact O-N 3Å; G100-N104 PolarHBondContact O-ND2 3.37Å
101	L	92.6	Very high	93.3	Very high	51 Å²	51	48.4 Å²	48.4	27%	0.267	25%	0.249	S	C	.	.	H	α-helix	trans	-58	-47.4	-169	-178.1	67	0	0	0	112.2	Q37 N40 S98 T99 N104 A105	Q37-L101 HydrophobicContact CB-CD1 4.08Å; Q37-L101 HydrophobicContact CG-CD1 3.95Å; N40-L101 HydrophobicContact CB-CD1 4.24Å; S98-L101 VanDerWaalsContact O-CB 3.31Å; S98-L101 WeakPolarHBondContact O-CB 3.48Å; S98-L101 PolarHBondContact O-N 3.42Å; T99-L101 PolarHBondContact O-N 3.41Å; L101-N104 PolarHBondContact O-N 3.46Å; L101-A105 WeakPolarHBondContact O-CB 3.31Å; L101-A105 PolarHBondContact O-N 2.99Å
102	F	93.2	Very high	93.1	Very high	122 Å²	122	47 Å²	47	54%	0.535	24%	0.241	S	C	.	.	H	α-helix	trans	-65.1	-48.9	179.6	-177.3	-90.9	0	0	0	112.1	G100 N104 A105 T106 F208	G100-F102 PolarHBondContact O-N 3.34Å; F102-N104 VanDerWaalsContact C-N 3.29Å; F102-N104 PolarHBondContact O-N 3.3Å; F102-A105 PolarHBondContact O-N 3Å; F102-T106 PolarHBondContact O-N 2.71Å; F102-T106 PolarHBondContact O-OG1 2.92Å; F102-T106 VanDerWaalsContact O-OG1 3.1Å; F102-F208 HydrophobicContact CB-CB 4.34Å; F102-F208 HydrophobicContact CD1-CB 3.86Å; F102-F208 AromaticContact CD1-CD1 3.56Å; F102-F208 HydrophobicContact CD1-CD1 3.56Å; F102-F208 AromaticContact CD1-CD2 3.71Å; F102-F208 HydrophobicContact CD1-CD2 3.71Å; F102-F208 AromaticContact CD1-CE1 3.99Å; F102-F208 HydrophobicContact CD1-CE1 3.99Å; F102-F208 HydrophobicContact CD1-CE2 4.1Å; F102-F208 AromaticContact CD1-CG 3.41Å; F102-F208 HydrophobicContact CD1-CG 3.41Å; F102-F208 VanDerWaalsContact CD1-CG 3.41Å; F102-F208 HydrophobicContact CD1-CZ 4.23Å; F102-F208 AromaticContact CE1-CD1 3.51Å; F102-F208 HydrophobicContact CE1-CD1 3.51Å; F102-F208 HydrophobicContact CE1-CD2 4.24Å; F102-F208 AromaticContact CE1-CE1 3.55Å; F102-F208 HydrophobicContact CE1-CE1 3.55Å; F102-F208 HydrophobicContact CE1-CE2 4.25Å; F102-F208 AromaticContact CE1-CG 3.88Å; F102-F208 HydrophobicContact CE1-CG 3.88Å; F102-F208 AromaticContact CE1-CZ 3.93Å; F102-F208 HydrophobicContact CE1-CZ 3.93Å; F102-F208 HydrophobicContact CG-CB 4.38Å; F102-F208 HydrophobicContact CG-CG 4.38Å
103	A	95.4	Very high	93	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-60.1	-41.2	178.5	0	0	0	0	0	111.5	G100 T106 H107 I190 T191 F208	G100-A103 PolarHBondContact O-N 3.1Å; A103-T106 PolarHBondContact O-N 3.3Å; A103-H107 WeakPolarHBondContact O-CB 3.48Å; A103-H107 PolarHBondContact O-N 3.07Å; A103-I190 HydrophobicContact CB-CB 4.3Å; A103-I190 HydrophobicContact CB-CG2 3.92Å; A103-T191 WeakPolarHBondContact CB-OG1 3.37Å; A103-F208 HydrophobicContact CB-CD2 4.03Å; A103-F208 HydrophobicContact CB-CE2 4.29Å
104	N	93	Very high	93.1	Very high	12 Å²	12	48 Å²	48	6%	0.064	24%	0.235	C	C	.	.	H	α-helix	trans	-62.8	-45.8	173.9	-79	-24.3	0	0	0	112.7	N40 G100 L101 F102 T106 H107 D108 T191	N40-N104 PolarHBondContact OD1-ND2 3.34Å; N40-N104 VanDerWaalsContact OD1-ND2 3.07Å; G100-N104 VanDerWaalsContact O-CB 3.27Å; G100-N104 WeakPolarHBondContact O-CB 3.3Å; G100-N104 VanDerWaalsContact O-CG 3.3Å; G100-N104 PolarHBondContact O-N 3Å; G100-N104 PolarHBondContact O-ND2 3.37Å; L101-N104 PolarHBondContact O-N 3.46Å; F102-N104 VanDerWaalsContact C-N 3.29Å; F102-N104 PolarHBondContact O-N 3.3Å; N104-T106 VanDerWaalsContact C-N 3.31Å; N104-T106 PolarHBondContact O-N 2.99Å; N104-H107 PolarHBondContact O-N 3.38Å; N104-D108 WeakPolarHBondContact O-CB 3.23Å; N104-D108 PolarHBondContact O-N 2.6Å; N104-T191 PolarHBondContact N-OG1 3.29Å; N104-T191 VanDerWaalsContact OD1-CB 3.32Å; N104-T191 WeakPolarHBondContact OD1-CB 3.47Å; N104-T191 WeakPolarHBondContact OD1-CG2 3.37Å; N104-T191 PolarHBondContact OD1-OG1 3.44Å
105	A	92.1	Very high	93	Very high	36 Å²	36	42.7 Å²	42.7	30%	0.298	22%	0.215	S	C	.	.	H	α-helix	trans	-61.1	-42.8	178.5	0	0	0	0	0	111.1	L101 F102 F109	L101-A105 WeakPolarHBondContact O-CB 3.31Å; L101-A105 PolarHBondContact O-N 2.99Å; F102-A105 PolarHBondContact O-N 3Å; A105-F109 VanDerWaalsContact O-CB 3.22Å; A105-F109 WeakPolarHBondContact O-CB 3.18Å; A105-F109 PolarHBondContact O-N 3.46Å
106	T	93.6	Very high	92.8	Very high	32 Å²	32	40.2 Å²	40.2	20%	0.196	21%	0.21	C	C	.	.	H	α-helix	trans	-66	-42.9	175.6	-50.1	0	0	0	0	112.1	F102 A103 N104 F109 I110 F187	F102-T106 PolarHBondContact O-N 2.71Å; F102-T106 PolarHBondContact O-OG1 2.92Å; F102-T106 VanDerWaalsContact O-OG1 3.1Å; A103-T106 PolarHBondContact O-N 3.3Å; N104-T106 VanDerWaalsContact C-N 3.31Å; N104-T106 PolarHBondContact O-N 2.99Å; T106-F109 PolarHBondContact O-N 3.2Å; T106-I110 HydrophobicContact CG2-CD1 4.04Å; T106-I110 WeakPolarHBondContact O-CG1 3.36Å; T106-I110 PolarHBondContact O-N 3.37Å; T106-F187 HydrophobicContact CG2-CD1 3.68Å; T106-F187 HydrophobicContact CG2-CD2 4.24Å; T106-F187 HydrophobicContact CG2-CE1 3.43Å; T106-F187 VanDerWaalsContact CG2-CE1 3.43Å; T106-F187 HydrophobicContact CG2-CE2 4.03Å; T106-F187 HydrophobicContact CG2-CG 4.08Å; T106-F187 HydrophobicContact CG2-CZ 3.61Å
107	H	94.8	Very high	92.6	Very high	26 Å²	26	42.3 Å²	42.3	12%	0.12	23%	0.227	C	C	.	.	H	α-helix	trans	-57.6	-52.2	174.7	177.3	85.9	0	0	0	111.6	A103 N104 F109 I110 V111 S184 F187	A103-H107 WeakPolarHBondContact O-CB 3.48Å; A103-H107 PolarHBondContact O-N 3.07Å; N104-H107 PolarHBondContact O-N 3.38Å; H107-F109 VanDerWaalsContact C-N 3.29Å; H107-F109 PolarHBondContact O-N 3.09Å; H107-I110 PolarHBondContact O-N 3.45Å; H107-V111 WeakPolarHBondContact O-CG2 3.45Å; H107-V111 PolarHBondContact O-N 3.4Å; H107-S184 PolarHBondContact ND1-O 3.26Å; H107-F187 HydrophobicContact CB-CB 3.94Å
108	D	91.5	Very high	92.5	Very high	26 Å²	26	42.3 Å²	42.3	14%	0.139	23%	0.225	C	C	.	.	H	α-helix	trans	-61.1	-38.1	179.4	-78.9	-7.3	0	0	0	111.6	R43 N104 E112	R43-D108 IonicContact CZ-OD2 3.48Å; R43-D108 IonicContact NH1-OD2 2.95Å; R43-D108 IonicContact NH2-OD1 3.87Å; R43-D108 IonicContact NH2-OD2 3.11Å; R43-D108 PolarHBondContact NH2-OD2 2.98Å; N104-D108 WeakPolarHBondContact O-CB 3.23Å; N104-D108 PolarHBondContact O-N 2.6Å; D108-E112 WeakPolarHBondContact O-CB 3.36Å; D108-E112 PolarHBondContact O-N 3.27Å
109	F	92	Very high	92.3	Very high	107 Å²	107	43.9 Å²	43.9	47%	0.469	22%	0.22	S	C	.	.	H	α-helix	trans	-65.5	-45.1	177.1	179.1	-109.2	0	0	0	112	Y33 A105 T106 H107 E112 I113	Y33-F109 HydrophobicContact CE1-CD2 4.46Å; A105-F109 VanDerWaalsContact O-CB 3.22Å; A105-F109 WeakPolarHBondContact O-CB 3.18Å; A105-F109 PolarHBondContact O-N 3.46Å; T106-F109 PolarHBondContact O-N 3.2Å; H107-F109 VanDerWaalsContact C-N 3.29Å; H107-F109 PolarHBondContact O-N 3.09Å; F109-E112 WeakPolarHBondContact O-CB 3.49Å; F109-E112 PolarHBondContact O-N 3.39Å; F109-I113 HydrophobicContact CD1-CD1 3.8Å; F109-I113 HydrophobicContact CE1-CD1 3.38Å; F109-I113 HydrophobicContact CE1-CG1 4.31Å; F109-I113 HydrophobicContact CE2-CD1 4.45Å; F109-I113 HydrophobicContact CZ-CD1 3.74Å; F109-I113 HydrophobicContact CZ-CG1 4.29Å; F109-I113 WeakPolarHBondContact O-CG1 3.36Å; F109-I113 PolarHBondContact O-N 2.84Å
110	I	94.1	Very high	91.9	Very high	18 Å²	18	50 Å²	50	9%	0.092	24%	0.241	C	C	.	.	H	α-helix	trans	-60.5	-49.1	175.4	-70.4	164.2	0	0	0	110.1	T106 H107 E112 I113 F114 V183 F187	T106-I110 HydrophobicContact CG2-CD1 4.04Å; T106-I110 WeakPolarHBondContact O-CG1 3.36Å; T106-I110 PolarHBondContact O-N 3.37Å; H107-I110 PolarHBondContact O-N 3.45Å; I110-E112 PolarHBondContact O-N 2.7Å; I110-I113 WeakPolarHBondContact O-CB 3.47Å; I110-I113 PolarHBondContact O-N 2.91Å; I110-I113 VanDerWaalsContact O-N 3.09Å; I110-F114 HydrophobicContact CG2-CD2 3.98Å; I110-F114 HydrophobicContact CG2-CE2 3.97Å; I110-F114 WeakPolarHBondContact O-CD2 3.38Å; I110-F114 PolarHBondContact O-N 2.94Å; I110-F114 VanDerWaalsContact O-N 3.1Å; I110-V183 HydrophobicContact CD1-CG1 4.29Å; I110-V183 HydrophobicContact CG2-CB 4.22Å; I110-V183 HydrophobicContact CG2-CG1 3.86Å; I110-F187 HydrophobicContact CD1-CD2 3.52Å; I110-F187 HydrophobicContact CD1-CE2 3.43Å; I110-F187 VanDerWaalsContact CD1-CE2 3.43Å; I110-F187 HydrophobicContact CD1-CG 4.49Å; I110-F187 HydrophobicContact CD1-CZ 4.34Å
111	V	93.1	Very high	91.7	Very high	15 Å²	15	54.7 Å²	54.7	9%	0.091	26%	0.258	C	S	.	.	H	α-helix	trans	-57.7	-37.7	177.3	170.4	0	0	0	0	110.9	H107 F114 R115 E180	H107-V111 WeakPolarHBondContact O-CG2 3.45Å; H107-V111 PolarHBondContact O-N 3.4Å; V111-F114 PolarHBondContact O-N 3.23Å; V111-R115 WeakPolarHBondContact O-CB 3.33Å; V111-R115 PolarHBondContact O-N 2.96Å; V111-E180 HydrophobicContact CG2-CG 4.47Å
112	E	90.5	Very high	91.4	Very high	10 Å²	10	53 Å²	53	5%	0.047	25%	0.25	C	S	.	.	H	α-helix	trans	-68.5	-38.5	176.2	-162.6	60.3	-124.9	0	0	113.1	V27 V28 R36 D108 F109 I110 F114 R115 A116	V27-E112 VanDerWaalsContact CG1-OE1 3.22Å; V27-E112 WeakPolarHBondContact CG1-OE1 3.34Å; V28-E112 HydrophobicContact CG2-CG 3.83Å; V28-E112 WeakPolarHBondContact CG2-OE1 3.28Å; V28-E112 WeakPolarHBondContact CG2-OE2 3.42Å; R36-E112 IonicContact CZ-OE2 2.86Å; R36-E112 IonicContact NH1-OE2 3.55Å; R36-E112 PolarHBondContact NH1-OE2 3.02Å; R36-E112 IonicContact NH2-OE2 3.92Å; R36-E112 PolarHBondContact NH2-OE2 3.23Å; D108-E112 WeakPolarHBondContact O-CB 3.36Å; D108-E112 PolarHBondContact O-N 3.27Å; F109-E112 WeakPolarHBondContact O-CB 3.49Å; F109-E112 PolarHBondContact O-N 3.39Å; I110-E112 PolarHBondContact O-N 2.7Å; E112-F114 VanDerWaalsContact C-N 3.33Å; E112-F114 PolarHBondContact O-N 3.12Å; E112-R115 PolarHBondContact O-N 3.38Å; E112-R115 IonicContact OE1-NH1 3.83Å; E112-R115 IonicContact OE2-CZ 2.91Å; E112-R115 IonicContact OE2-NH1 2.97Å; E112-R115 PolarHBondContact OE2-NH1 3.46Å; E112-A116 VanDerWaalsContact O-CB 3.31Å; E112-A116 WeakPolarHBondContact O-CB 3.16Å; E112-A116 PolarHBondContact O-N 3Å
113	I	92.5	Very high	91	Very high	84 Å²	84	49.5 Å²	49.5	43%	0.431	24%	0.237	S	C	.	.	H	α-helix	trans	-58.5	-46.7	173.7	-71.2	165.9	0	0	0	110.4	F109 I110 A116 A117	F109-I113 HydrophobicContact CD1-CD1 3.8Å; F109-I113 HydrophobicContact CE1-CD1 3.38Å; F109-I113 HydrophobicContact CE1-CG1 4.31Å; F109-I113 HydrophobicContact CE2-CD1 4.45Å; F109-I113 HydrophobicContact CZ-CD1 3.74Å; F109-I113 HydrophobicContact CZ-CG1 4.29Å; F109-I113 WeakPolarHBondContact O-CG1 3.36Å; F109-I113 PolarHBondContact O-N 2.84Å; I110-I113 WeakPolarHBondContact O-CB 3.47Å; I110-I113 PolarHBondContact O-N 2.91Å; I110-I113 VanDerWaalsContact O-N 3.09Å; I113-A116 WeakPolarHBondContact O-CB 3.4Å; I113-A116 PolarHBondContact O-N 3.04Å; I113-A117 WeakPolarHBondContact O-CB 3.34Å; I113-A117 PolarHBondContact O-N 2.88Å
114	F	94.4	Very high	90.6	Very high	40 Å²	40	53.2 Å²	53.2	18%	0.175	26%	0.256	C	S	.	.	H	α-helix	trans	-66.7	-38.7	178.5	-82.9	-85.2	0	0	0	112.2	I110 V111 E112 A116 A117 F118 W179 E180 V183	I110-F114 HydrophobicContact CG2-CD2 3.98Å; I110-F114 HydrophobicContact CG2-CE2 3.97Å; I110-F114 WeakPolarHBondContact O-CD2 3.38Å; I110-F114 PolarHBondContact O-N 2.94Å; I110-F114 VanDerWaalsContact O-N 3.1Å; V111-F114 PolarHBondContact O-N 3.23Å; E112-F114 VanDerWaalsContact C-N 3.33Å; E112-F114 PolarHBondContact O-N 3.12Å; F114-A116 VanDerWaalsContact C-N 3.34Å; F114-A116 PolarHBondContact O-N 2.75Å; F114-A117 PolarHBondContact O-N 3.43Å; F114-F118 WeakPolarHBondContact O-CB 3.41Å; F114-F118 PolarHBondContact O-N 2.98Å; F114-W179 HydrophobicContact CE1-CB 3.59Å; F114-W179 HydrophobicContact CZ-CB 3.93Å; F114-E180 HydrophobicContact CB-CB 3.83Å; F114-E180 HydrophobicContact CB-CG 3.77Å; F114-E180 HydrophobicContact CD1-CB 3.85Å; F114-E180 HydrophobicContact CD2-CB 4.07Å; F114-E180 HydrophobicContact CD2-CG 4.26Å; F114-E180 HydrophobicContact CE1-CB 4.45Å; F114-E180 HydrophobicContact CG-CB 3.64Å; F114-E180 HydrophobicContact CG-CG 4Å; F114-V183 HydrophobicContact CE2-CB 4.14Å; F114-V183 HydrophobicContact CE2-CG1 4.5Å; F114-V183 HydrophobicContact CE2-CG2 4.38Å; F114-V183 HydrophobicContact CZ-CB 4.47Å; F114-V183 HydrophobicContact CZ-CG2 4.22Å
115	R	90.5	Very high	90.1	Very high	99 Å²	99	54.1 Å²	54.1	37%	0.374	26%	0.259	S	S	.	.	H	α-helix	trans	-62	-41.5	173.1	-173.1	178.9	-66	127.7	2.3	111.9	V111 E112 F118 R119	V111-R115 WeakPolarHBondContact O-CB 3.33Å; V111-R115 PolarHBondContact O-N 2.96Å; E112-R115 PolarHBondContact O-N 3.38Å; E112-R115 IonicContact OE1-NH1 3.83Å; E112-R115 IonicContact OE2-CZ 2.91Å; E112-R115 IonicContact OE2-NH1 2.97Å; E112-R115 PolarHBondContact OE2-NH1 3.46Å; R115-F118 PolarHBondContact O-N 2.94Å; R115-R119 WeakPolarHBondContact O-CB 3.47Å; R115-R119 PolarHBondContact O-N 3.4Å
116	A	88.4	Confident	89.5	Confident	28 Å²	28	55.2 Å²	55.2	23%	0.231	26%	0.259	C	S	.	.	H	α-helix	trans	-64.4	-43.9	175.3	0	0	0	0	0	111.7	V27 E112 I113 F114 R119 R120	V27-A116 HydrophobicContact CB-CB 4.42Å; V27-A116 HydrophobicContact CG1-CB 4.34Å; V27-A116 HydrophobicContact CG2-CB 3.73Å; E112-A116 VanDerWaalsContact O-CB 3.31Å; E112-A116 WeakPolarHBondContact O-CB 3.16Å; E112-A116 PolarHBondContact O-N 3Å; I113-A116 WeakPolarHBondContact O-CB 3.4Å; I113-A116 PolarHBondContact O-N 3.04Å; F114-A116 VanDerWaalsContact C-N 3.34Å; F114-A116 PolarHBondContact O-N 2.75Å; A116-R119 PolarHBondContact O-N 3.47Å; A116-R120 WeakPolarHBondContact O-CB 3.44Å; A116-R120 PolarHBondContact O-N 3.27Å
117	A	90.8	Very high	88.9	Confident	44 Å²	44	60.8 Å²	60.8	36%	0.364	28%	0.276	S	S	.	.	H	α-helix	trans	-60.8	-46.6	176	0	0	0	0	0	111.5	I113 F114 R119 R120 R121	I113-A117 WeakPolarHBondContact O-CB 3.34Å; I113-A117 PolarHBondContact O-N 2.88Å; F114-A117 PolarHBondContact O-N 3.43Å; A117-R119 PolarHBondContact O-N 3.3Å; A117-R120 PolarHBondContact O-N 3.32Å; A117-R121 WeakPolarHBondContact O-CB 3.5Å; A117-R121 PolarHBondContact O-N 3.01Å
118	F	90.5	Very high	88.1	Confident	51 Å²	51	63.7 Å²	63.7	22%	0.224	30%	0.296	C	S	.	.	H	α-helix	trans	-58	-49.1	174.9	176.5	-114.1	0	0	0	111.5	F114 R115 R120 R121 T122 A154 I173 L176	F114-F118 WeakPolarHBondContact O-CB 3.41Å; F114-F118 PolarHBondContact O-N 2.98Å; R115-F118 PolarHBondContact O-N 2.94Å; F118-R120 PolarHBondContact O-N 3.45Å; F118-R121 WeakPolarHBondContact O-CB 3.28Å; F118-R121 PolarHBondContact O-N 3.33Å; F118-R121 VanDerWaalsContact O-N 3.17Å; F118-T122 HydrophobicContact CD2-CG2 4.22Å; F118-T122 HydrophobicContact CE1-CG2 4.13Å; F118-T122 HydrophobicContact CE2-CG2 3.71Å; F118-T122 HydrophobicContact CZ-CG2 3.71Å; F118-T122 WeakPolarHBondContact O-CG2 3.41Å; F118-T122 PolarHBondContact O-N 3.49Å; F118-T122 PolarHBondContact O-OG1 3Å; F118-A154 HydrophobicContact CE1-CB 3.96Å; F118-A154 HydrophobicContact CZ-CB 3.72Å; F118-I173 HydrophobicContact CD2-CG1 4.41Å; F118-I173 HydrophobicContact CE2-CD1 4.04Å; F118-I173 HydrophobicContact CE2-CG1 3.6Å; F118-I173 HydrophobicContact CZ-CD1 4.34Å; F118-I173 HydrophobicContact CZ-CG1 4.32Å; F118-L176 HydrophobicContact CB-CD1 4.4Å; F118-L176 HydrophobicContact CD2-CD1 4.07Å
119	R	86.7	Confident	87.2	Confident	107 Å²	107	65.4 Å²	65.4	40%	0.404	30%	0.303	S	S	.	.	H	α-helix	trans	-62.4	-41.2	178.6	-169.6	-176	-57.1	-77.7	1.6	112.7	R115 A116 A117 R121 T122 N123	R115-R119 WeakPolarHBondContact O-CB 3.47Å; R115-R119 PolarHBondContact O-N 3.4Å; A116-R119 PolarHBondContact O-N 3.47Å; A117-R119 PolarHBondContact O-N 3.3Å; R119-R121 VanDerWaalsContact C-N 3.28Å; R119-R121 PolarHBondContact O-N 3.09Å; R119-T122 WeakPolarHBondContact CA-OG1 3.42Å; R119-T122 PolarHBondContact O-N 2.88Å; R119-T122 PolarHBondContact O-OG1 3.13Å; R119-N123 WeakPolarHBondContact O-CB 3.24Å; R119-N123 PolarHBondContact O-N 3.43Å; R119-N123 PolarHBondContact O-ND2 2.99Å
120	R	87.8	Confident	86	Confident	142 Å²	142	62.5 Å²	62.5	54%	0.536	30%	0.296	S	S	.	.	H	α-helix	trans	-60.7	-43.5	175.7	179.8	170.8	178.3	93.5	-2.6	110.3	A116 A117 F118 N123 I124	A116-R120 WeakPolarHBondContact O-CB 3.44Å; A116-R120 PolarHBondContact O-N 3.27Å; A117-R120 PolarHBondContact O-N 3.32Å; F118-R120 PolarHBondContact O-N 3.45Å; R120-N123 PolarHBondContact O-N 2.9Å; R120-I124 HydrophobicContact CG-CD1 4.23Å; R120-I124 WeakPolarHBondContact O-CG1 3.48Å; R120-I124 PolarHBondContact O-N 2.9Å; R120-I124 VanDerWaalsContact O-N 3.08Å
121	R	88.9	Confident	84.7	Confident	98 Å²	98	66 Å²	66	37%	0.37	32%	0.315	S	S	.	.	H	α-helix	trans	-63.9	-44.2	178.7	-175.7	53.1	170	177.1	-10.2	112.4	A117 F118 R119 N123 I124 W125 E172	A117-R121 WeakPolarHBondContact O-CB 3.5Å; A117-R121 PolarHBondContact O-N 3.01Å; F118-R121 WeakPolarHBondContact O-CB 3.28Å; F118-R121 PolarHBondContact O-N 3.33Å; F118-R121 VanDerWaalsContact O-N 3.17Å; R119-R121 VanDerWaalsContact C-N 3.28Å; R119-R121 PolarHBondContact O-N 3.09Å; R121-N123 VanDerWaalsContact C-N 3.31Å; R121-N123 PolarHBondContact O-N 3.42Å; R121-I124 PolarHBondContact O-N 2.83Å; R121-W125 PolarHBondContact O-N 3.34Å; R121-W125 VanDerWaalsContact O-N 3.12Å; R121-E172 WeakPolarHBondContact CD-OE1 3.42Å; R121-E172 VanDerWaalsContact CG-OE1 3.27Å; R121-E172 WeakPolarHBondContact CG-OE1 3.31Å; R121-E172 IonicContact CZ-OE1 3.26Å; R121-E172 IonicContact CZ-OE2 3.53Å; R121-E172 IonicContact NE-OE1 2.81Å; R121-E172 PolarHBondContact NE-OE1 3.29Å; R121-E172 IonicContact NE-OE2 3.88Å; R121-E172 PolarHBondContact NE-OE2 3.47Å; R121-E172 IonicContact NH2-OE1 2.65Å; R121-E172 PolarHBondContact NH2-OE1 3.46Å; R121-E172 IonicContact NH2-OE2 3.43Å
122	T	86	Confident	83.4	Confident	16 Å²	16	70.5 Å²	70.5	10%	0.098	33%	0.333	C	S	.	.	H	α-helix	trans	-63.6	-36.7	176.4	57.4	0	0	0	0	112.1	F118 R119 W125 M126 A154	F118-T122 HydrophobicContact CD2-CG2 4.22Å; F118-T122 HydrophobicContact CE1-CG2 4.13Å; F118-T122 HydrophobicContact CE2-CG2 3.71Å; F118-T122 HydrophobicContact CZ-CG2 3.71Å; F118-T122 WeakPolarHBondContact O-CG2 3.41Å; F118-T122 PolarHBondContact O-N 3.49Å; F118-T122 PolarHBondContact O-OG1 3Å; R119-T122 WeakPolarHBondContact CA-OG1 3.42Å; R119-T122 PolarHBondContact O-N 2.88Å; R119-T122 PolarHBondContact O-OG1 3.13Å; T122-W125 PolarHBondContact O-N 3.39Å; T122-M126 PolarHBondContact O-N 3.36Å; T122-A154 HydrophobicContact CG2-CB 3.69Å
123	N	84.7	Confident	81.7	Confident	48 Å²	48	75.9 Å²	75.9	26%	0.257	35%	0.354	S	S	.	.	H	α-helix	trans	-66.4	-39.2	176.7	-73.6	-21	0	0	0	112.7	R119 R120 R121 M126 R127	R119-N123 WeakPolarHBondContact O-CB 3.24Å; R119-N123 PolarHBondContact O-N 3.43Å; R119-N123 PolarHBondContact O-ND2 2.99Å; R120-N123 PolarHBondContact O-N 2.9Å; R121-N123 VanDerWaalsContact C-N 3.31Å; R121-N123 PolarHBondContact O-N 3.42Å; N123-M126 PolarHBondContact O-N 3.19Å; N123-R127 PolarHBondContact O-N 3.11Å; N123-R127 VanDerWaalsContact O-N 3.08Å
124	I	86.8	Confident	80	Confident	78 Å²	78	76.5 Å²	76.5	40%	0.4	36%	0.358	S	S	.	.	H	α-helix	trans	-62.8	-45.8	175	-68.2	166.1	0	0	0	110	R120 R121 M126 R127 T128	R120-I124 HydrophobicContact CG-CD1 4.23Å; R120-I124 WeakPolarHBondContact O-CG1 3.48Å; R120-I124 PolarHBondContact O-N 2.9Å; R120-I124 VanDerWaalsContact O-N 3.08Å; R121-I124 PolarHBondContact O-N 2.83Å; I124-M126 VanDerWaalsContact C-N 3.32Å; I124-M126 PolarHBondContact O-N 2.93Å; I124-R127 PolarHBondContact O-N 3.26Å; I124-R127 VanDerWaalsContact O-N 3.17Å; I124-T128 PolarHBondContact O-N 3.37Å; I124-T128 PolarHBondContact O-OG1 3.31Å
125	W	82.8	Confident	78.1	Confident	31 Å²	31	83 Å²	83	12%	0.117	39%	0.386	C	S	.	.	H	α-helix	trans	-58.8	-44.8	177.2	177.1	27.8	0	0	0	111.8	R121 T122 R127 T128 E129 L157 V165 R169	R121-W125 PolarHBondContact O-N 3.34Å; R121-W125 VanDerWaalsContact O-N 3.12Å; T122-W125 PolarHBondContact O-N 3.39Å; W125-R127 VanDerWaalsContact C-N 3.31Å; W125-R127 PolarHBondContact O-N 2.71Å; W125-T128 WeakPolarHBondContact O-CB 3.1Å; W125-T128 PolarHBondContact O-N 3.3Å; W125-T128 VanDerWaalsContact O-N 3.17Å; W125-E129 PolarHBondContact O-N 3.35Å; W125-L157 HydrophobicContact CD2-CB 4.41Å; W125-L157 HydrophobicContact CD2-CD1 4.2Å; W125-L157 HydrophobicContact CE3-CB 3.79Å; W125-L157 HydrophobicContact CE3-CD1 3.74Å; W125-L157 HydrophobicContact CE3-CG 4.39Å; W125-L157 HydrophobicContact CH2-CB 3.39Å; W125-L157 WeakPolarHBondContact CH2-O 3.24Å; W125-L157 HydrophobicContact CZ2-CB 4Å; W125-L157 HydrophobicContact CZ3-CB 3.24Å; W125-L157 HydrophobicContact CZ3-CD1 4.08Å; W125-L157 HydrophobicContact CZ3-CG 4.29Å; W125-V165 HydrophobicContact CZ2-CG1 4.2Å; W125-R169 HydrophobicContact CH2-CG 4.23Å; W125-R169 HydrophobicContact CZ2-CG 4.42Å; W125-R169 HydrophobicContact CZ3-CG 4.35Å
126	M	78.4	Confident	76.3	Confident	60 Å²	60	84.7 Å²	84.7	30%	0.296	40%	0.396	S	S	.	.	H	α-helix	trans	-57	-44.5	176	-175.1	-179.9	-62.6	0	0	112.1	T122 N123 I124 T128 E129 S130 Q153 L157	T122-M126 PolarHBondContact O-N 3.36Å; N123-M126 PolarHBondContact O-N 3.19Å; I124-M126 VanDerWaalsContact C-N 3.32Å; I124-M126 PolarHBondContact O-N 2.93Å; M126-T128 VanDerWaalsContact C-N 3.32Å; M126-T128 PolarHBondContact O-N 2.79Å; M126-E129 PolarHBondContact O-N 2.98Å; M126-S130 WeakPolarHBondContact O-CB 3.36Å; M126-S130 PolarHBondContact O-N 3.33Å; M126-S130 PolarHBondContact O-OG 3.22Å; M126-Q153 HydrophobicContact CE-CB 3.95Å; M126-Q153 HydrophobicContact CE-CG 4.09Å; M126-L157 HydrophobicContact CB-CD1 4.26Å; M126-L157 HydrophobicContact CE-CD1 4.19Å
127	R	80.8	Confident	74.4	Confident	148 Å²	148	87.9 Å²	87.9	56%	0.558	41%	0.407	S	S	*	.	H	α-helix	trans	-63	-39.5	179	-170.4	174	-175.7	171.3	0.3	111.8	N123 I124 W125 S130 N131	N123-R127 PolarHBondContact O-N 3.11Å; N123-R127 VanDerWaalsContact O-N 3.08Å; I124-R127 PolarHBondContact O-N 3.26Å; I124-R127 VanDerWaalsContact O-N 3.17Å; W125-R127 VanDerWaalsContact C-N 3.31Å; W125-R127 PolarHBondContact O-N 2.71Å; R127-S130 WeakPolarHBondContact CA-OG 3.5Å; R127-S130 PolarHBondContact O-OG 3.16Å; R127-S130 VanDerWaalsContact O-OG 3.06Å; R127-N131 VanDerWaalsContact O-CB 3.32Å; R127-N131 WeakPolarHBondContact O-CB 3.47Å; R127-N131 PolarHBondContact O-N 2.79Å; R127-N131 PolarHBondContact O-ND2 3.5Å; R127-N131 PolarHBondContact O-OD1 2.68Å
128	T	78.5	Confident	72.4	Confident	88 Å²	88	92.9 Å²	92.9	54%	0.54	43%	0.426	S	S	.	.	H	α-helix	trans	-64.1	-44.6	175.6	-58.4	0	0	0	0	111.3	I124 W125 M126 N131 F132	I124-T128 PolarHBondContact O-N 3.37Å; I124-T128 PolarHBondContact O-OG1 3.31Å; W125-T128 WeakPolarHBondContact O-CB 3.1Å; W125-T128 PolarHBondContact O-N 3.3Å; W125-T128 VanDerWaalsContact O-N 3.17Å; M126-T128 VanDerWaalsContact C-N 3.32Å; M126-T128 PolarHBondContact O-N 2.79Å; T128-N131 PolarHBondContact O-N 3.38Å; T128-F132 PolarHBondContact O-N 3.26Å
129	E	72.1	Confident	70.2	Confident	62 Å²	62	96.5 Å²	96.5	29%	0.29	45%	0.452	S	S	.	.	H	α-helix	trans	-69.2	-43.6	-179.8	-164	65.3	-149.9	0	0	111.7	W125 M126 N131 F132 Y133	W125-E129 PolarHBondContact O-N 3.35Å; M126-E129 PolarHBondContact O-N 2.98Å; E129-N131 VanDerWaalsContact C-N 3.31Å; E129-N131 PolarHBondContact O-N 3.31Å; E129-F132 WeakPolarHBondContact O-CB 3.2Å; E129-F132 PolarHBondContact O-N 2.88Å; E129-F132 VanDerWaalsContact O-N 3.14Å; E129-Y133 HydrophobicContact CG-CD2 3.91Å; E129-Y133 HydrophobicContact CG-CE2 3.63Å; E129-Y133 VanDerWaalsContact O-CD2 3.26Å; E129-Y133 WeakPolarHBondContact O-CD2 3.38Å; E129-Y133 PolarHBondContact O-N 3.22Å; E129-Y133 WeakPolarHBondContact OE1-CE2 3.37Å
130	S	68	Low	68	Low	46 Å²	46	97.5 Å²	97.5	32%	0.322	46%	0.464	S	S	.	.	H	α-helix	trans	-63.4	-36.4	176.9	67.3	0	0	0	0	112.1	M126 R127 F132 Y133 N134	M126-S130 WeakPolarHBondContact O-CB 3.36Å; M126-S130 PolarHBondContact O-N 3.33Å; M126-S130 PolarHBondContact O-OG 3.22Å; R127-S130 WeakPolarHBondContact CA-OG 3.5Å; R127-S130 PolarHBondContact O-OG 3.16Å; R127-S130 VanDerWaalsContact O-OG 3.06Å; S130-F132 VanDerWaalsContact C-N 3.33Å; S130-Y133 PolarHBondContact O-N 3.38Å; S130-N134 VanDerWaalsContact O-CB 3.31Å; S130-N134 WeakPolarHBondContact O-CB 3.25Å; S130-N134 PolarHBondContact O-N 3.47Å
131	N	65.9	Low	65.4	Low	91 Å²	91	98.7 Å²	98.7	49%	0.487	48%	0.475	S	S	.	.	H	α-helix	trans	-65.5	-38.2	175	-73.8	-13.4	0	0	0	111.5	R127 T128 E129 K135	R127-N131 VanDerWaalsContact O-CB 3.32Å; R127-N131 WeakPolarHBondContact O-CB 3.47Å; R127-N131 PolarHBondContact O-N 2.79Å; R127-N131 PolarHBondContact O-ND2 3.5Å; R127-N131 PolarHBondContact O-OD1 2.68Å; T128-N131 PolarHBondContact O-N 3.38Å; E129-N131 VanDerWaalsContact C-N 3.31Å; E129-N131 PolarHBondContact O-N 3.31Å; N131-K135 VanDerWaalsContact O-CB 3.3Å; N131-K135 WeakPolarHBondContact O-CB 3.33Å; N131-K135 PolarHBondContact O-N 2.94Å
132	F	65.9	Low	62.9	Low	109 Å²	109	99.9 Å²	99.9	48%	0.478	50%	0.495	S	S	.	.	H	α-helix	trans	-66.8	-42.4	174.8	-175.5	-102.7	0	0	0	112	T128 E129 S130 K136	T128-F132 PolarHBondContact O-N 3.26Å; E129-F132 WeakPolarHBondContact O-CB 3.2Å; E129-F132 PolarHBondContact O-N 2.88Å; E129-F132 VanDerWaalsContact O-N 3.14Å; S130-F132 VanDerWaalsContact C-N 3.33Å; F132-K136 HydrophobicContact CE1-CD 4.05Å; F132-K136 HydrophobicContact CZ-CD 4.36Å; F132-K136 VanDerWaalsContact CZ-CE 3.4Å; F132-K136 PolarHBondContact O-N 2.93Å
133	Y	55.5	Low	60.6	Low	123 Å²	123	104.1 Å²	104.1	48%	0.482	52%	0.522	S	S	.	.	H	α-helix	trans	-66.8	-46.1	174.5	-80.8	-69.6	0	0	0	112.6	E129 S130 K135 K136 Q137	E129-Y133 HydrophobicContact CG-CD2 3.91Å; E129-Y133 HydrophobicContact CG-CE2 3.63Å; E129-Y133 VanDerWaalsContact O-CD2 3.26Å; E129-Y133 WeakPolarHBondContact O-CD2 3.38Å; E129-Y133 PolarHBondContact O-N 3.22Å; E129-Y133 WeakPolarHBondContact OE1-CE2 3.37Å; S130-Y133 PolarHBondContact O-N 3.38Å; Y133-K135 VanDerWaalsContact C-N 3.29Å; Y133-K135 PolarHBondContact O-N 3.46Å; Y133-K136 CarbonylContact O-C 3.45Å; Y133-K136 WeakPolarHBondContact O-CA 3.06Å; Y133-K136 WeakPolarHBondContact O-CB 3.43Å; Y133-K136 PolarHBondContact O-N 3.45Å; Y133-Q137 VanDerWaalsContact O-CB 3.3Å; Y133-Q137 WeakPolarHBondContact O-CB 3.3Å; Y133-Q137 PolarHBondContact O-N 3.39Å
134	N	56.3	Low	58.6	Low	98 Å²	98	106.8 Å²	106.8	52%	0.524	55%	0.55	S	S	.	*	H	α-helix	trans	-60.2	-40.1	176.6	-81.8	-20.8	0	0	0	111.2	S130 K136 Q137 I138	S130-N134 VanDerWaalsContact O-CB 3.31Å; S130-N134 WeakPolarHBondContact O-CB 3.25Å; S130-N134 PolarHBondContact O-N 3.47Å; N134-K136 PolarHBondContact O-N 2.9Å; N134-Q137 PolarHBondContact O-N 2.9Å; N134-Q137 VanDerWaalsContact O-N 3.17Å; N134-I138 WeakPolarHBondContact O-CG1 3.2Å; N134-I138 PolarHBondContact O-N 2.84Å
135	K	55.7	Low	56.4	Low	175 Å²	175	107.5 Å²	107.5	76%	0.761	56%	0.562	S	S	*	*	H	α-helix	trans	-62	-27.3	174.6	-164.3	171.6	-175.1	177.7	0	112.7	N131 Y133	N131-K135 VanDerWaalsContact O-CB 3.3Å; N131-K135 WeakPolarHBondContact O-CB 3.33Å; N131-K135 PolarHBondContact O-N 2.94Å; Y133-K135 VanDerWaalsContact C-N 3.29Å; Y133-K135 PolarHBondContact O-N 3.46Å
136	K	51.4	Low	54.8	Low	135 Å²	135	114 Å²	114	59%	0.587	59%	0.594	S	S	*	*	H	α-helix	trans	-87.9	-31	172.2	-73.8	-175.7	174.6	-175.4	0	114	F132 Y133 N134	F132-K136 HydrophobicContact CE1-CD 4.05Å; F132-K136 HydrophobicContact CZ-CD 4.36Å; F132-K136 VanDerWaalsContact CZ-CE 3.4Å; F132-K136 PolarHBondContact O-N 2.93Å; Y133-K136 CarbonylContact O-C 3.45Å; Y133-K136 WeakPolarHBondContact O-CA 3.06Å; Y133-K136 WeakPolarHBondContact O-CB 3.43Å; Y133-K136 PolarHBondContact O-N 3.45Å; N134-K136 PolarHBondContact O-N 2.9Å
137	Q	48.2	Very low	53.3	Low	95 Å²	95	119.6 Å²	119.6	44%	0.444	62%	0.619	S	S	.	*	H	α-helix	trans	-92.9	6.8	-172.1	-85.1	-167.4	-3.6	0	0	114.9	Y133 N134 V139 I140	Y133-Q137 VanDerWaalsContact O-CB 3.3Å; Y133-Q137 WeakPolarHBondContact O-CB 3.3Å; Y133-Q137 PolarHBondContact O-N 3.39Å; N134-Q137 PolarHBondContact O-N 2.9Å; N134-Q137 VanDerWaalsContact O-N 3.17Å; Q137-V139 PolarHBondContact O-N 2.99Å; Q137-I140 PolarHBondContact O-N 3.16Å
138	I	50.3	Low	51.7	Low	150 Å²	150	117.7 Å²	117.7	77%	0.769	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.2	-12.7	166.1	-70.2	167.1	0	0	0	112.1	N134	N134-I138 WeakPolarHBondContact O-CG1 3.2Å; N134-I138 PolarHBondContact O-N 2.84Å
139	V	44.6	Very low	50.6	Low	127 Å²	127	114.7 Å²	114.7	77%	0.77	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	-12.4	176.3	-171.6	0	0	0	0	116.1	Q137	Q137-V139 PolarHBondContact O-N 2.99Å
140	I	39.6	Very low	50.3	Low	127 Å²	127	119.2 Å²	119.2	65%	0.651	62%	0.624	S	S	*	*	S	Bend	trans	-144.2	129	-176.8	-50.8	178.5	0	0	0	113.9	Q137	Q137-I140 PolarHBondContact O-N 3.16Å
141	H	33.6	Very low	50.4	Low	167 Å²	167	124.4 Å²	124.4	77%	0.773	64%	0.643	S	S	*	*			trans	-35.2	139.1	-174.9	-69.1	-83.4	0	0	0	118.1	T143	H141-T143 PolarHBondContact O-N 3.19Å
142	P	36	Very low	51	Low	123 Å²	123	121.7 Å²	121.7	80%	0.799	63%	0.627	S	S	*	*			trans	-72.9	116.6	178.7	29.3	-32.4	0	0	0	111.3
143	T	38.4	Very low	51.6	Low	106 Å²	106	118.2 Å²	118.2	65%	0.65	61%	0.612	S	S	*	*			trans	-86.7	119.1	171	33.4	0	0	0	0	109.9	H141 S145	H141-T143 PolarHBondContact O-N 3.19Å; T143-S145 PolarHBondContact O-N 3.14Å
144	A	41.5	Very low	52.7	Low	104 Å²	104	112.9 Å²	112.9	86%	0.86	59%	0.593	S	S	*	*	S	Bend	trans	-68.9	15.1	-172.7	0	0	0	0	0	115.9	Q146	A144-Q146 VanDerWaalsContact C-N 3.29Å; A144-Q146 PolarHBondContact O-N 2.92Å
145	S	42	Very low	54.1	Low	93 Å²	93	109.2 Å²	109.2	65%	0.65	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	20.7	-172.2	69.7	0	0	0	0	114.9	T143	T143-S145 PolarHBondContact O-N 3.14Å
146	Q	47.9	Very low	55.4	Low	168 Å²	168	103.6 Å²	103.6	79%	0.785	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-10.4	-171.9	-65.2	-170.4	7.6	0	0	114.9	A144 T148	A144-Q146 VanDerWaalsContact C-N 3.29Å; A144-Q146 PolarHBondContact O-N 2.92Å; Q146-T148 PolarHBondContact O-N 3.06Å
147	Q	47.5	Very low	56.9	Low	176 Å²	176	98.6 Å²	98.6	82%	0.822	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-19.8	-173.9	-113.4	178.7	-12.3	0	0	114.6	N149	Q147-N149 PolarHBondContact O-N 2.79Å
148	T	47.9	Very low	58.7	Low	108 Å²	108	94.2 Å²	94.2	66%	0.663	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-1.4	-156.4	50.2	0	0	0	0	116.9	Q146	Q146-T148 PolarHBondContact O-N 3.06Å
149	N	55	Low	60.4	Low	26 Å²	26	87.5 Å²	87.5	14%	0.139	47%	0.472	C	S	.	.			trans	-149	88.7	179.6	-82.4	-65.8	0	0	0	112.5	Q147 Q153 N265	Q147-N149 PolarHBondContact O-N 2.79Å; N149-Q153 WeakPolarHBondContact O-CG 3.41Å; N149-Q153 PolarHBondContact O-NE2 3.29Å; N149-N265 PolarHBondContact ND2-ND2 3.09Å; N149-N265 PolarHBondContact OD1-ND2 3.37Å
150	K	65.5	Low	62.2	Low	157 Å²	157	87 Å²	87	68%	0.683	46%	0.461	S	S	*	.	S	Bend	trans	-81.1	-21.9	170.5	-70.2	-177.6	-178.2	175.5	0	113.6
151	E	70.7	Confident	64.4	Low	154 Å²	154	81.7 Å²	81.7	72%	0.72	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-50.6	-171.1	-65.9	-178.8	170.1	0	0	113
152	F	78	Confident	67	Low	35 Å²	35	83.2 Å²	83.2	15%	0.154	43%	0.434	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	37.4	-176.2	-56.8	-82.1	0	0	0	114.1	E155 R156 N265 R268 V269	F152-E155 WeakPolarHBondContact CA-OE2 3.38Å; F152-R156 PolarHBondContact O-N 2.99Å; F152-N265 HydrophobicContact CD2-CB 3.99Å; F152-N265 WeakPolarHBondContact CD2-OD1 3.21Å; F152-N265 HydrophobicContact CE2-CB 4.06Å; F152-R268 HydrophobicContact CD1-CB 4.29Å; F152-R268 HydrophobicContact CE1-CB 4.28Å; F152-R268 PolarHBondContact O-NH1 2.94Å; F152-V269 HydrophobicContact CE1-CG2 4.15Å; F152-V269 HydrophobicContact CE2-CG2 4.47Å; F152-V269 HydrophobicContact CZ-CG2 3.55Å
153	Q	77.4	Confident	69.6	Low	36 Å²	36	81.8 Å²	81.8	17%	0.168	42%	0.419	C	S	.	.	H	α-helix	trans	-72.4	-43.3	-176.5	-70.1	-175.5	-25.6	0	0	112.3	M126 N149 E155 R156 L157	M126-Q153 HydrophobicContact CE-CB 3.95Å; M126-Q153 HydrophobicContact CE-CG 4.09Å; N149-Q153 WeakPolarHBondContact O-CG 3.41Å; N149-Q153 PolarHBondContact O-NE2 3.29Å; Q153-E155 VanDerWaalsContact C-N 3.29Å; Q153-E155 PolarHBondContact O-N 3.41Å; Q153-R156 PolarHBondContact O-N 3.43Å; Q153-R156 VanDerWaalsContact O-N 3.16Å; Q153-L157 WeakPolarHBondContact O-CG 3.48Å; Q153-L157 PolarHBondContact O-N 3.43Å
154	A	80.1	Confident	72.2	Confident	11 Å²	11	81.2 Å²	81.2	9%	0.091	42%	0.417	C	S	.	.	H	α-helix	trans	-60.6	-42.9	-178.4	0	0	0	0	0	111.1	F118 T122 L157 L158	F118-A154 HydrophobicContact CE1-CB 3.96Å; F118-A154 HydrophobicContact CZ-CB 3.72Å; T122-A154 HydrophobicContact CG2-CB 3.69Å; A154-L157 PolarHBondContact O-N 3.17Å; A154-L158 WeakPolarHBondContact O-CB 3.43Å; A154-L158 PolarHBondContact O-N 3.25Å
155	E	84.9	Confident	74.5	Confident	21 Å²	21	78.5 Å²	78.5	10%	0.098	39%	0.39	C	S	.	.	H	α-helix	trans	-60.1	-46.9	175	-66.4	82.4	172	0	0	111.2	F152 Q153 L157 L158 E159 Y242 Y243	F152-E155 WeakPolarHBondContact CA-OE2 3.38Å; Q153-E155 VanDerWaalsContact C-N 3.29Å; Q153-E155 PolarHBondContact O-N 3.41Å; E155-L157 PolarHBondContact O-N 3.02Å; E155-L158 PolarHBondContact O-N 3.12Å; E155-E159 VanDerWaalsContact O-CB 3.3Å; E155-E159 WeakPolarHBondContact O-CB 3.28Å; E155-E159 WeakPolarHBondContact O-CG 3.38Å; E155-E159 PolarHBondContact O-N 2.7Å; E155-Y242 HydrophobicContact CG-CE1 3.84Å; E155-Y242 WeakPolarHBondContact CG-OH 3.27Å; E155-Y242 PolarHBondContact OE1-OH 3.28Å; E155-Y242 VanDerWaalsContact OE1-OH 3.1Å; E155-Y243 HydrophobicContact CG-CE1 4.12Å
156	R	83.2	Confident	76.8	Confident	56 Å²	56	74.4 Å²	74.4	21%	0.211	36%	0.361	C	S	.	.	H	α-helix	trans	-61.4	-46.6	-179.2	-170.7	-179.6	-58.8	167.9	0.9	111.8	F152 Q153 L158 E159 E160 R268	F152-R156 PolarHBondContact O-N 2.99Å; Q153-R156 PolarHBondContact O-N 3.43Å; Q153-R156 VanDerWaalsContact O-N 3.16Å; R156-L158 VanDerWaalsContact C-N 3.34Å; R156-L158 PolarHBondContact O-N 3.43Å; R156-E159 PolarHBondContact O-N 3.36Å; R156-E160 VanDerWaalsContact CG-OE1 3.25Å; R156-E160 WeakPolarHBondContact CG-OE1 3.38Å; R156-E160 WeakPolarHBondContact O-CB 3.35Å; R156-E160 WeakPolarHBondContact O-CG 3.29Å; R156-E160 PolarHBondContact O-N 3.11Å; R156-R268 VanDerWaalsContact N-NH2 3.14Å
157	L	82.6	Confident	79	Confident	31 Å²	31	72 Å²	72	16%	0.162	35%	0.348	C	S	.	.	H	α-helix	trans	-62.5	-43.5	179.2	-66	171.1	0	0	0	111	W125 M126 Q153 A154 E155 E160 S161	W125-L157 HydrophobicContact CD2-CB 4.41Å; W125-L157 HydrophobicContact CD2-CD1 4.2Å; W125-L157 HydrophobicContact CE3-CB 3.79Å; W125-L157 HydrophobicContact CE3-CD1 3.74Å; W125-L157 HydrophobicContact CE3-CG 4.39Å; W125-L157 HydrophobicContact CH2-CB 3.39Å; W125-L157 WeakPolarHBondContact CH2-O 3.24Å; W125-L157 HydrophobicContact CZ2-CB 4Å; W125-L157 HydrophobicContact CZ3-CB 3.24Å; W125-L157 HydrophobicContact CZ3-CD1 4.08Å; W125-L157 HydrophobicContact CZ3-CG 4.29Å; M126-L157 HydrophobicContact CB-CD1 4.26Å; M126-L157 HydrophobicContact CE-CD1 4.19Å; Q153-L157 WeakPolarHBondContact O-CG 3.48Å; Q153-L157 PolarHBondContact O-N 3.43Å; A154-L157 PolarHBondContact O-N 3.17Å; E155-L157 PolarHBondContact O-N 3.02Å; L157-E160 PolarHBondContact O-N 3.35Å; L157-S161 VanDerWaalsContact O-CB 3.32Å; L157-S161 WeakPolarHBondContact O-CB 3.43Å; L157-S161 PolarHBondContact O-N 2.85Å
158	L	86.2	Confident	81.1	Confident	3 Å²	3	68.5 Å²	68.5	2%	0.016	33%	0.331	C	S	.	.	H	α-helix	trans	-68.4	-40.4	-179.3	-164.8	68.4	0	0	0	111.9	A154 E155 R156 E160 S161 F166 R169 I173 Y243	A154-L158 WeakPolarHBondContact O-CB 3.43Å; A154-L158 PolarHBondContact O-N 3.25Å; E155-L158 PolarHBondContact O-N 3.12Å; R156-L158 VanDerWaalsContact C-N 3.34Å; R156-L158 PolarHBondContact O-N 3.43Å; L158-E160 PolarHBondContact O-N 3.27Å; L158-S161 PolarHBondContact O-N 2.94Å; L158-S161 PolarHBondContact O-OG 2.95Å; L158-F166 HydrophobicContact CD1-CD2 3.66Å; L158-F166 HydrophobicContact CD1-CE2 4.12Å; L158-F166 HydrophobicContact CD1-CG 4.35Å; L158-F166 HydrophobicContact CD2-CD2 4.2Å; L158-F166 HydrophobicContact CD2-CE2 3.79Å; L158-F166 HydrophobicContact CG-CD2 3.51Å; L158-F166 HydrophobicContact CG-CE2 3.58Å; L158-F166 WeakPolarHBondContact O-CD2 3.42Å; L158-R169 HydrophobicContact CD1-CB 3.66Å; L158-I173 HydrophobicContact CD2-CD1 4.01Å; L158-Y243 HydrophobicContact CD2-CD1 3.4Å; L158-Y243 VanDerWaalsContact CD2-CD1 3.4Å; L158-Y243 HydrophobicContact CD2-CD2 4.49Å; L158-Y243 HydrophobicContact CD2-CE1 4.11Å; L158-Y243 HydrophobicContact CD2-CG 3.62Å
159	E	85.3	Confident	83.2	Confident	8 Å²	8	65.2 Å²	65.2	4%	0.037	31%	0.307	C	S	.	.	H	α-helix	trans	-63.6	-39.7	176.1	-69.9	163.9	-152.4	0	0	112.7	E155 R156 C246 R247 R250 M264 R268	E155-E159 VanDerWaalsContact O-CB 3.3Å; E155-E159 WeakPolarHBondContact O-CB 3.28Å; E155-E159 WeakPolarHBondContact O-CG 3.38Å; E155-E159 PolarHBondContact O-N 2.7Å; R156-E159 PolarHBondContact O-N 3.36Å; E159-C246 HydrophobicContact CG-CB 3.96Å; E159-C246 WeakPolarHBondContact OE1-CB 3.15Å; E159-R247 PolarHBondContact O-NH1 3.39Å; E159-R250 HydrophobicContact CB-CB 4.43Å; E159-R250 VanDerWaalsContact CB-NE 3.34Å; E159-R250 IonicContact OE2-CZ 3.95Å; E159-R250 IonicContact OE2-NE 2.57Å; E159-R250 PolarHBondContact OE2-NE 3.01Å; E159-R250 IonicContact OE2-NH2 3.75Å; E159-R250 PolarHBondContact OE2-NH2 2.92Å; E159-M264 WeakPolarHBondContact OE2-CE 3.33Å; E159-R268 IonicContact OE1-CZ 3.72Å; E159-R268 IonicContact OE1-NE 3.94Å; E159-R268 PolarHBondContact OE1-NE 2.99Å; E159-R268 IonicContact OE1-NH2 2.79Å; E159-R268 PolarHBondContact OE1-NH2 3.33Å; E159-R268 IonicContact OE2-CZ 3.79Å; E159-R268 IonicContact OE2-NE 3.29Å; E159-R268 IonicContact OE2-NH2 2.81Å; E159-R268 PolarHBondContact OE2-NH2 2.95Å
160	E	83.1	Confident	85	Confident	118 Å²	118	65.2 Å²	65.2	55%	0.551	31%	0.306	S	S	*	.	H	α-helix	trans	-82.9	-15.3	-178.4	-69	171.2	-167.6	0	0	113.3	R156 L157 L158 R250	R156-E160 VanDerWaalsContact CG-OE1 3.25Å; R156-E160 WeakPolarHBondContact CG-OE1 3.38Å; R156-E160 WeakPolarHBondContact O-CB 3.35Å; R156-E160 WeakPolarHBondContact O-CG 3.29Å; R156-E160 PolarHBondContact O-N 3.11Å; L157-E160 PolarHBondContact O-N 3.35Å; L158-E160 PolarHBondContact O-N 3.27Å; E160-R250 IonicContact OE1-CZ 3.51Å; E160-R250 IonicContact OE1-NH1 3.23Å; E160-R250 PolarHBondContact OE1-NH1 2.97Å; E160-R250 IonicContact OE1-NH2 2.73Å
161	S	85.4	Confident	86.4	Confident	15 Å²	15	62 Å²	62	11%	0.105	30%	0.299	C	S	.	.	S	Bend	trans	-67.2	152.6	-177.6	69.3	0	0	0	0	113.6	L157 L158 F166 R247	L157-S161 VanDerWaalsContact O-CB 3.32Å; L157-S161 WeakPolarHBondContact O-CB 3.43Å; L157-S161 PolarHBondContact O-N 2.85Å; L158-S161 PolarHBondContact O-N 2.94Å; L158-S161 PolarHBondContact O-OG 2.95Å; S161-F166 WeakPolarHBondContact OG-CA 3.4Å; S161-F166 WeakPolarHBondContact OG-CB 3.47Å; S161-R247 PolarHBondContact O-NH1 2.95Å
162	R	88.4	Confident	87.5	Confident	198 Å²	198	56.7 Å²	56.7	75%	0.747	27%	0.274	S	S	*	.			trans	-66.4	149.6	169.9	-64.1	-178.5	-179.5	170.9	-2.4	110	P164 V165 F166	R162-P164 HydrophobicContact CB-CG 4.42Å; R162-V165 CarbonylContact O-C 3.59Å; R162-V165 PolarHBondContact O-N 3.01Å; R162-F166 PolarHBondContact O-N 3.42Å
163	L	91.1	Very high	88.2	Confident	93 Å²	93	55.9 Å²	55.9	49%	0.487	27%	0.271	S	S	.	.	H	α-helix	trans	-48	-47.2	-178.6	-72	175.7	0	0	0	116	V165 F166 F167 R247	L163-V165 VanDerWaalsContact C-N 3.33Å; L163-V165 PolarHBondContact O-N 2.93Å; L163-F166 WeakPolarHBondContact O-CB 3.44Å; L163-F166 PolarHBondContact O-N 3.29Å; L163-F167 HydrophobicContact CB-CE2 4.46Å; L163-F167 HydrophobicContact CD2-CE2 4.38Å; L163-F167 WeakPolarHBondContact O-CD2 3.42Å; L163-F167 PolarHBondContact O-N 2.88Å; L163-R247 VanDerWaalsContact CD2-NH2 3.27Å
164	P	92.1	Very high	89.2	Confident	95 Å²	95	56 Å²	56	62%	0.617	27%	0.273	S	S	*	.	H	α-helix	trans	-63	-40.9	179	22.6	-33.5	0	0	0	112.3	R162 F167 E168	R162-P164 HydrophobicContact CB-CG 4.42Å; P164-F167 PolarHBondContact O-N 3.01Å; P164-E168 PolarHBondContact O-N 3.06Å
165	V	89.8	Confident	90	Very high	47 Å²	47	58 Å²	58	29%	0.285	29%	0.286	S	S	.	.	H	α-helix	trans	-68.1	-38.4	176.3	-177.6	0	0	0	0	110.7	W125 R162 L163 E168 R169	W125-V165 HydrophobicContact CZ2-CG1 4.2Å; R162-V165 CarbonylContact O-C 3.59Å; R162-V165 PolarHBondContact O-N 3.01Å; L163-V165 VanDerWaalsContact C-N 3.33Å; L163-V165 PolarHBondContact O-N 2.93Å; V165-E168 PolarHBondContact O-N 3.44Å; V165-R169 HydrophobicContact CG1-CG 4.26Å; V165-R169 WeakPolarHBondContact O-CB 3.31Å; V165-R169 WeakPolarHBondContact O-CG 3.21Å; V165-R169 PolarHBondContact O-N 2.74Å
166	F	90.8	Very high	90.5	Very high	7 Å²	7	59 Å²	59	3%	0.031	29%	0.292	C	S	.	.	H	α-helix	trans	-56.4	-52.7	174	172.6	-91.8	0	0	0	110.6	L158 S161 R162 L163 R169 F170 R247	L158-F166 HydrophobicContact CD1-CD2 3.66Å; L158-F166 HydrophobicContact CD1-CE2 4.12Å; L158-F166 HydrophobicContact CD1-CG 4.35Å; L158-F166 HydrophobicContact CD2-CD2 4.2Å; L158-F166 HydrophobicContact CD2-CE2 3.79Å; L158-F166 HydrophobicContact CG-CD2 3.51Å; L158-F166 HydrophobicContact CG-CE2 3.58Å; L158-F166 WeakPolarHBondContact O-CD2 3.42Å; S161-F166 WeakPolarHBondContact OG-CA 3.4Å; S161-F166 WeakPolarHBondContact OG-CB 3.47Å; R162-F166 PolarHBondContact O-N 3.42Å; L163-F166 WeakPolarHBondContact O-CB 3.44Å; L163-F166 PolarHBondContact O-N 3.29Å; F166-R169 PolarHBondContact O-N 2.85Å; F166-F170 HydrophobicContact CE1-CB 4.34Å; F166-F170 HydrophobicContact CE1-CD2 4.49Å; F166-F170 HydrophobicContact CE1-CG 4.42Å; F166-F170 HydrophobicContact CZ-CD2 4.23Å; F166-F170 WeakPolarHBondContact O-CB 3.4Å; F166-F170 PolarHBondContact O-N 3.08Å; F166-R247 HydrophobicContact CE2-CB 4.21Å
167	F	94.2	Very high	91.1	Very high	118 Å²	118	58.1 Å²	58.1	52%	0.518	29%	0.29	S	S	.	.	H	α-helix	trans	-64.8	-43.9	-178.6	-75.5	-64.4	0	0	0	112.3	L163 P164 R169 F170 T171	L163-F167 HydrophobicContact CB-CE2 4.46Å; L163-F167 HydrophobicContact CD2-CE2 4.38Å; L163-F167 WeakPolarHBondContact O-CD2 3.42Å; L163-F167 PolarHBondContact O-N 2.88Å; P164-F167 PolarHBondContact O-N 3.01Å; F167-R169 VanDerWaalsContact C-N 3.33Å; F167-R169 PolarHBondContact O-N 3.48Å; F167-F170 PolarHBondContact O-N 3.46Å; F167-T171 WeakPolarHBondContact O-CG2 3.24Å; F167-T171 PolarHBondContact O-N 2.94Å; F167-T171 PolarHBondContact O-OG1 2.94Å
168	E	92.3	Very high	91.8	Very high	101 Å²	101	60.2 Å²	60.2	47%	0.472	30%	0.298	S	S	.	.	H	α-helix	trans	-53.4	-51.7	174.6	-174	-164.2	144.5	0	0	110.7	P164 V165 F170 T171 E172	P164-E168 PolarHBondContact O-N 3.06Å; V165-E168 PolarHBondContact O-N 3.44Å; E168-F170 PolarHBondContact O-N 3.29Å; E168-T171 PolarHBondContact O-N 3.27Å; E168-T171 PolarHBondContact O-OG1 3.42Å; E168-E172 PolarHBondContact O-N 3.01Å; E168-E172 VanDerWaalsContact O-N 3.14Å
169	R	90.6	Very high	92.4	Very high	40 Å²	40	66.5 Å²	66.5	15%	0.151	32%	0.321	C	S	.	.	H	α-helix	trans	-69.5	-35.7	-179	-64.3	-66.8	167.1	-123.7	-22.4	112.9	W125 L158 V165 F166 F167 E172 I173	W125-R169 HydrophobicContact CH2-CG 4.23Å; W125-R169 HydrophobicContact CZ2-CG 4.42Å; W125-R169 HydrophobicContact CZ3-CG 4.35Å; L158-R169 HydrophobicContact CD1-CB 3.66Å; V165-R169 HydrophobicContact CG1-CG 4.26Å; V165-R169 WeakPolarHBondContact O-CB 3.31Å; V165-R169 WeakPolarHBondContact O-CG 3.21Å; V165-R169 PolarHBondContact O-N 2.74Å; F166-R169 PolarHBondContact O-N 2.85Å; F167-R169 VanDerWaalsContact C-N 3.33Å; F167-R169 PolarHBondContact O-N 3.48Å; R169-E172 IonicContact CZ-OE2 2.82Å; R169-E172 IonicContact NH1-OE2 3.37Å; R169-E172 PolarHBondContact NH1-OE2 2.96Å; R169-E172 WeakPolarHBondContact O-CB 3.37Å; R169-E172 PolarHBondContact O-N 3.04Å; R169-I173 VanDerWaalsContact O-CG1 3.29Å; R169-I173 WeakPolarHBondContact O-CG1 3.31Å; R169-I173 PolarHBondContact O-N 3.1Å
170	F	93.4	Very high	93	Very high	26 Å²	26	67.4 Å²	67.4	11%	0.114	33%	0.325	C	S	.	.	H	α-helix	trans	-62.9	-44.9	175.8	178.4	-99.9	0	0	0	111.4	F166 F167 E168 E172 I173 L174	F166-F170 HydrophobicContact CE1-CB 4.34Å; F166-F170 HydrophobicContact CE1-CD2 4.49Å; F166-F170 HydrophobicContact CE1-CG 4.42Å; F166-F170 HydrophobicContact CZ-CD2 4.23Å; F166-F170 WeakPolarHBondContact O-CB 3.4Å; F166-F170 PolarHBondContact O-N 3.08Å; F167-F170 PolarHBondContact O-N 3.46Å; E168-F170 PolarHBondContact O-N 3.29Å; F170-E172 VanDerWaalsContact C-N 3.3Å; F170-E172 PolarHBondContact O-N 2.57Å; F170-I173 PolarHBondContact O-N 3Å; F170-L174 HydrophobicContact CD1-CD1 3.94Å; F170-L174 HydrophobicContact CD1-CG 4.42Å; F170-L174 HydrophobicContact CE1-CD1 3.34Å; F170-L174 HydrophobicContact CE1-CG 4.11Å; F170-L174 HydrophobicContact CZ-CD1 3.69Å; F170-L174 HydrophobicContact CZ-CD2 4.44Å; F170-L174 HydrophobicContact CZ-CG 4.18Å; F170-L174 WeakPolarHBondContact O-CG 3.5Å; F170-L174 PolarHBondContact O-N 3.37Å
171	T	94.5	Very high	93.7	Very high	88 Å²	88	61.8 Å²	61.8	54%	0.54	30%	0.299	S	S	.	.	H	α-helix	trans	-62.6	-38.7	175	61.8	0	0	0	0	112.2	F167 E168 L174 S175	F167-T171 WeakPolarHBondContact O-CG2 3.24Å; F167-T171 PolarHBondContact O-N 2.94Å; F167-T171 PolarHBondContact O-OG1 2.94Å; E168-T171 PolarHBondContact O-N 3.27Å; E168-T171 PolarHBondContact O-OG1 3.42Å; T171-L174 PolarHBondContact O-N 3.4Å; T171-S175 WeakPolarHBondContact O-CB 3.36Å; T171-S175 PolarHBondContact O-N 3.43Å
172	E	93.3	Very high	94.3	Very high	43 Å²	43	63.1 Å²	63.1	20%	0.201	31%	0.305	C	S	.	.	H	α-helix	trans	-60.8	-46.4	174	174.5	169.5	-152	0	0	111.6	R121 E168 R169 F170 L174 S175 L176	R121-E172 WeakPolarHBondContact CD-OE1 3.42Å; R121-E172 VanDerWaalsContact CG-OE1 3.27Å; R121-E172 WeakPolarHBondContact CG-OE1 3.31Å; R121-E172 IonicContact CZ-OE1 3.26Å; R121-E172 IonicContact CZ-OE2 3.53Å; R121-E172 IonicContact NE-OE1 2.81Å; R121-E172 PolarHBondContact NE-OE1 3.29Å; R121-E172 IonicContact NE-OE2 3.88Å; R121-E172 PolarHBondContact NE-OE2 3.47Å; R121-E172 IonicContact NH2-OE1 2.65Å; R121-E172 PolarHBondContact NH2-OE1 3.46Å; R121-E172 IonicContact NH2-OE2 3.43Å; E168-E172 PolarHBondContact O-N 3.01Å; E168-E172 VanDerWaalsContact O-N 3.14Å; R169-E172 IonicContact CZ-OE2 2.82Å; R169-E172 IonicContact NH1-OE2 3.37Å; R169-E172 PolarHBondContact NH1-OE2 2.96Å; R169-E172 WeakPolarHBondContact O-CB 3.37Å; R169-E172 PolarHBondContact O-N 3.04Å; F170-E172 VanDerWaalsContact C-N 3.3Å; F170-E172 PolarHBondContact O-N 2.57Å; E172-L174 PolarHBondContact O-N 2.93Å; E172-S175 PolarHBondContact O-N 3.18Å; E172-S175 PolarHBondContact O-OG 2.85Å; E172-L176 HydrophobicContact CG-CD1 4.43Å; E172-L176 PolarHBondContact O-N 3.25Å
173	I	94.1	Very high	94.8	Very high	19 Å²	19	56.8 Å²	56.8	10%	0.097	29%	0.288	C	S	.	.	H	α-helix	trans	-59.1	-47.9	176	-72.1	167.8	0	0	0	111.7	F118 L158 R169 F170 S175 L176 K177 T239 Y243	F118-I173 HydrophobicContact CD2-CG1 4.41Å; F118-I173 HydrophobicContact CE2-CD1 4.04Å; F118-I173 HydrophobicContact CE2-CG1 3.6Å; F118-I173 HydrophobicContact CZ-CD1 4.34Å; F118-I173 HydrophobicContact CZ-CG1 4.32Å; L158-I173 HydrophobicContact CD2-CD1 4.01Å; R169-I173 VanDerWaalsContact O-CG1 3.29Å; R169-I173 WeakPolarHBondContact O-CG1 3.31Å; R169-I173 PolarHBondContact O-N 3.1Å; F170-I173 PolarHBondContact O-N 3Å; I173-S175 VanDerWaalsContact C-N 3.29Å; I173-S175 PolarHBondContact O-N 2.84Å; I173-L176 PolarHBondContact O-N 3.04Å; I173-K177 PolarHBondContact O-N 2.71Å; I173-T239 HydrophobicContact CG2-CG2 3.72Å; I173-Y243 HydrophobicContact CD1-CD2 4.46Å; I173-Y243 HydrophobicContact CD1-CE1 4.46Å; I173-Y243 HydrophobicContact CD1-CE2 4.11Å; I173-Y243 HydrophobicContact CG2-CD2 4.14Å; I173-Y243 HydrophobicContact CG2-CE2 3.61Å
174	L	96.9	Very high	95.1	Very high	37 Å²	37	52.3 Å²	52.3	19%	0.194	27%	0.265	C	S	.	.	H	α-helix	trans	-63.3	-38	178.9	-69.6	-175.3	0	0	0	111.5	F170 T171 E172 K177 F178 I236 T239	F170-L174 HydrophobicContact CD1-CD1 3.94Å; F170-L174 HydrophobicContact CD1-CG 4.42Å; F170-L174 HydrophobicContact CE1-CD1 3.34Å; F170-L174 HydrophobicContact CE1-CG 4.11Å; F170-L174 HydrophobicContact CZ-CD1 3.69Å; F170-L174 HydrophobicContact CZ-CD2 4.44Å; F170-L174 HydrophobicContact CZ-CG 4.18Å; F170-L174 WeakPolarHBondContact O-CG 3.5Å; F170-L174 PolarHBondContact O-N 3.37Å; T171-L174 PolarHBondContact O-N 3.4Å; E172-L174 PolarHBondContact O-N 2.93Å; L174-K177 PolarHBondContact O-N 3.37Å; L174-F178 WeakPolarHBondContact O-CB 3.41Å; L174-F178 PolarHBondContact O-N 3.2Å; L174-I236 HydrophobicContact CD2-CD1 4.16Å; L174-I236 HydrophobicContact CD2-CG2 4.35Å; L174-T239 HydrophobicContact CD2-CG2 4.02Å
175	S	96.9	Very high	95.4	Very high	54 Å²	54	47.8 Å²	47.8	38%	0.378	24%	0.235	S	C	.	.	H	α-helix	trans	-63.7	-44.3	176	78.3	0	0	0	0	112.1	T171 E172 I173 K177 F178 W179	T171-S175 WeakPolarHBondContact O-CB 3.36Å; T171-S175 PolarHBondContact O-N 3.43Å; E172-S175 PolarHBondContact O-N 3.18Å; E172-S175 PolarHBondContact O-OG 2.85Å; I173-S175 VanDerWaalsContact C-N 3.29Å; I173-S175 PolarHBondContact O-N 2.84Å; S175-K177 PolarHBondContact O-N 3.07Å; S175-F178 PolarHBondContact O-N 3.32Å; S175-W179 PolarHBondContact O-N 3.04Å; S175-W179 VanDerWaalsContact O-N 3.09Å
176	L	95.8	Very high	95.8	Very high	41 Å²	41	46.8 Å²	46.8	22%	0.215	23%	0.23	C	C	.	.	H	α-helix	trans	-62.5	-43.1	175.6	-74.9	170.4	0	0	0	111.6	F118 E172 I173 W179 E180	F118-L176 HydrophobicContact CB-CD1 4.4Å; F118-L176 HydrophobicContact CD2-CD1 4.07Å; E172-L176 HydrophobicContact CG-CD1 4.43Å; E172-L176 PolarHBondContact O-N 3.25Å; I173-L176 PolarHBondContact O-N 3.04Å; L176-W179 PolarHBondContact O-N 3.28Å; L176-E180 WeakPolarHBondContact O-CB 3.34Å; L176-E180 PolarHBondContact O-N 3.19Å
177	K	96.1	Very high	96.1	Very high	39 Å²	39	48.7 Å²	48.7	17%	0.17	24%	0.238	C	C	.	.	H	α-helix	trans	-63.8	-41.2	177.2	-179.5	58.2	69.1	-174.4	0	111.7	I173 L174 S175 E180 V181 E235 I236	I173-K177 PolarHBondContact O-N 2.71Å; L174-K177 PolarHBondContact O-N 3.37Å; S175-K177 PolarHBondContact O-N 3.07Å; K177-E180 WeakPolarHBondContact CE-OE2 3.27Å; K177-E180 IonicContact NZ-OE1 3.43Å; K177-E180 PolarHBondContact NZ-OE1 3.1Å; K177-E180 IonicContact NZ-OE2 3.1Å; K177-E180 PolarHBondContact NZ-OE2 2.68Å; K177-E180 PolarHBondContact O-N 3.38Å; K177-V181 HydrophobicContact CD-CG2 4.07Å; K177-V181 VanDerWaalsContact O-CG2 3.27Å; K177-V181 WeakPolarHBondContact O-CG2 3.48Å; K177-V181 PolarHBondContact O-N 3.3Å; K177-E235 HydrophobicContact CD-CB 4.26Å; K177-E235 HydrophobicContact CG-CB 4.38Å; K177-E235 IonicContact NZ-OE2 2.68Å; K177-I236 HydrophobicContact CB-CD1 4.45Å; K177-I236 HydrophobicContact CG-CD1 4.23Å
178	F	98	Very high	96.3	Very high	75 Å²	75	44.9 Å²	44.9	33%	0.329	22%	0.221	S	C	.	.	H	α-helix	trans	-57.5	-51.1	174.6	170.9	-93.2	0	0	0	111.5	L174 S175 V181 L182 L232	L174-F178 WeakPolarHBondContact O-CB 3.41Å; L174-F178 PolarHBondContact O-N 3.2Å; S175-F178 PolarHBondContact O-N 3.32Å; F178-V181 PolarHBondContact O-N 2.88Å; F178-L182 HydrophobicContact CE1-CD2 4.11Å; F178-L182 HydrophobicContact CZ-CD2 4.36Å; F178-L182 WeakPolarHBondContact O-CB 3.16Å; F178-L182 PolarHBondContact O-N 3.37Å; F178-L232 HydrophobicContact CD2-CD1 3.84Å; F178-L232 HydrophobicContact CD2-CD2 3.89Å; F178-L232 HydrophobicContact CE2-CD2 3.9Å
179	W	98.1	Very high	96.6	Very high	135 Å²	135	40.1 Å²	40.1	51%	0.511	20%	0.198	S	C	.	.	H	α-helix	trans	-65.7	-39.1	179.7	-74.4	114.8	0	0	0	112.8	F114 S175 L176 V181 L182 V183	F114-W179 HydrophobicContact CE1-CB 3.59Å; F114-W179 HydrophobicContact CZ-CB 3.93Å; S175-W179 PolarHBondContact O-N 3.04Å; S175-W179 VanDerWaalsContact O-N 3.09Å; L176-W179 PolarHBondContact O-N 3.28Å; W179-V181 PolarHBondContact O-N 3.29Å; W179-L182 HydrophobicContact CE3-CD2 3.65Å; W179-L182 HydrophobicContact CH2-CD2 4.46Å; W179-L182 HydrophobicContact CZ3-CD2 3.5Å; W179-L182 VanDerWaalsContact CZ3-CD2 3.5Å; W179-L182 PolarHBondContact O-N 3.4Å; W179-V183 WeakPolarHBondContact O-CB 3.28Å; W179-V183 WeakPolarHBondContact O-CG2 3.36Å; W179-V183 PolarHBondContact O-N 3.47Å
180	E	97.6	Very high	97	Very high	26 Å²	26	38.4 Å²	38.4	12%	0.121	19%	0.192	C	C	.	.	H	α-helix	trans	-56.1	-51.2	173.6	179.1	-164.3	153.8	0	0	110.8	V111 F114 L176 K177 S184	V111-E180 HydrophobicContact CG2-CG 4.47Å; F114-E180 HydrophobicContact CB-CB 3.83Å; F114-E180 HydrophobicContact CB-CG 3.77Å; F114-E180 HydrophobicContact CD1-CB 3.85Å; F114-E180 HydrophobicContact CD2-CB 4.07Å; F114-E180 HydrophobicContact CD2-CG 4.26Å; F114-E180 HydrophobicContact CE1-CB 4.45Å; F114-E180 HydrophobicContact CG-CB 3.64Å; F114-E180 HydrophobicContact CG-CG 4Å; L176-E180 WeakPolarHBondContact O-CB 3.34Å; L176-E180 PolarHBondContact O-N 3.19Å; K177-E180 WeakPolarHBondContact CE-OE2 3.27Å; K177-E180 IonicContact NZ-OE1 3.43Å; K177-E180 PolarHBondContact NZ-OE1 3.1Å; K177-E180 IonicContact NZ-OE2 3.1Å; K177-E180 PolarHBondContact NZ-OE2 2.68Å; K177-E180 PolarHBondContact O-N 3.38Å; E180-S184 WeakPolarHBondContact O-CB 3.39Å; E180-S184 PolarHBondContact O-N 3.25Å; E180-S184 PolarHBondContact O-OG 3.4Å
181	V	97.7	Very high	97.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-63.6	-47.8	-179.9	176.2	0	0	0	0	109.7	K177 F178 W179 V183 S184 H185 F228 R231 L232 E235	K177-V181 HydrophobicContact CD-CG2 4.07Å; K177-V181 VanDerWaalsContact O-CG2 3.27Å; K177-V181 WeakPolarHBondContact O-CG2 3.48Å; K177-V181 PolarHBondContact O-N 3.3Å; F178-V181 PolarHBondContact O-N 2.88Å; W179-V181 PolarHBondContact O-N 3.29Å; V181-V183 PolarHBondContact O-N 3Å; V181-S184 PolarHBondContact O-N 3.39Å; V181-S184 PolarHBondContact O-OG 2.97Å; V181-H185 VanDerWaalsContact O-CB 3.22Å; V181-H185 WeakPolarHBondContact O-CB 3.43Å; V181-H185 PolarHBondContact O-N 3.43Å; V181-F228 HydrophobicContact CG1-CD2 4.26Å; V181-F228 HydrophobicContact CG1-CE2 3.84Å; V181-R231 HydrophobicContact CG1-CG 4.31Å; V181-R231 PolarHBondContact O-NH1 3.36Å; V181-R231 VanDerWaalsContact O-NH1 3.12Å; V181-L232 HydrophobicContact CB-CD1 4.17Å; V181-L232 HydrophobicContact CG1-CB 4.36Å; V181-L232 HydrophobicContact CG1-CD1 4.1Å; V181-E235 HydrophobicContact CG2-CB 4.07Å; V181-E235 HydrophobicContact CG2-CG 3.9Å
182	L	98.3	Very high	97.3	Very high	44 Å²	44	33.2 Å²	33.2	23%	0.23	16%	0.162	C	C	.	.	H	α-helix	trans	-57.6	-49.4	-178.5	-174	72.7	0	0	0	112.8	F178 W179 P186 F225 F228	F178-L182 HydrophobicContact CE1-CD2 4.11Å; F178-L182 HydrophobicContact CZ-CD2 4.36Å; F178-L182 WeakPolarHBondContact O-CB 3.16Å; F178-L182 PolarHBondContact O-N 3.37Å; W179-L182 HydrophobicContact CE3-CD2 3.65Å; W179-L182 HydrophobicContact CH2-CD2 4.46Å; W179-L182 HydrophobicContact CZ3-CD2 3.5Å; W179-L182 VanDerWaalsContact CZ3-CD2 3.5Å; W179-L182 PolarHBondContact O-N 3.4Å; L182-P186 WeakPolarHBondContact O-CD 3.33Å; L182-F225 HydrophobicContact CD1-CE1 4Å; L182-F228 HydrophobicContact CB-CE2 4.32Å; L182-F228 HydrophobicContact CB-CZ 4.41Å; L182-F228 HydrophobicContact CD1-CE1 4.29Å; L182-F228 HydrophobicContact CD1-CE2 3.95Å; L182-F228 HydrophobicContact CD1-CZ 3.63Å
183	V	98.3	Very high	97.6	Very high	64 Å²	64	31.1 Å²	31.1	39%	0.388	15%	0.153	S	C	.	.	H	α-helix	trans	-75	-33.7	-176.4	180	0	0	0	0	111.6	I110 F114 W179 V181	I110-V183 HydrophobicContact CD1-CG1 4.29Å; I110-V183 HydrophobicContact CG2-CB 4.22Å; I110-V183 HydrophobicContact CG2-CG1 3.86Å; F114-V183 HydrophobicContact CE2-CB 4.14Å; F114-V183 HydrophobicContact CE2-CG1 4.5Å; F114-V183 HydrophobicContact CE2-CG2 4.38Å; F114-V183 HydrophobicContact CZ-CB 4.47Å; F114-V183 HydrophobicContact CZ-CG2 4.22Å; W179-V183 WeakPolarHBondContact O-CB 3.28Å; W179-V183 WeakPolarHBondContact O-CG2 3.36Å; W179-V183 PolarHBondContact O-N 3.47Å; V181-V183 PolarHBondContact O-N 3Å
184	S	97.9	Very high	97.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-79.3	-18.9	179.9	66.1	0	0	0	0	114	H107 E180 V181 F187 Y188 R231	H107-S184 PolarHBondContact ND1-O 3.26Å; E180-S184 WeakPolarHBondContact O-CB 3.39Å; E180-S184 PolarHBondContact O-N 3.25Å; E180-S184 PolarHBondContact O-OG 3.4Å; V181-S184 PolarHBondContact O-N 3.39Å; V181-S184 PolarHBondContact O-OG 2.97Å; S184-F187 PolarHBondContact O-N 2.84Å; S184-Y188 PolarHBondContact O-N 3.09Å; S184-R231 PolarHBondContact OG-NH1 2.96Å; S184-R231 PolarHBondContact OG-NH2 2.98Å; S184-R231 VanDerWaalsContact OG-NH2 3.15Å
185	H	98.2	Very high	97.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-66.5	-42.5	-170.6	-164.8	78.2	0	0	0	115.4	V181 F187 Y188 V189 F224 Q226 F228 R231	V181-H185 VanDerWaalsContact O-CB 3.22Å; V181-H185 WeakPolarHBondContact O-CB 3.43Å; V181-H185 PolarHBondContact O-N 3.43Å; H185-F187 VanDerWaalsContact C-N 3.25Å; H185-F187 PolarHBondContact O-N 3.29Å; H185-Y188 AromaticContact CE1-CD1 3.94Å; H185-Y188 WeakPolarHBondContact O-CA 3.37Å; H185-Y188 VanDerWaalsContact O-CB 3.31Å; H185-Y188 WeakPolarHBondContact O-CB 3.49Å; H185-Y188 PolarHBondContact O-N 3.39Å; H185-V189 VanDerWaalsContact NE2-CG2 3.28Å; H185-V189 WeakPolarHBondContact NE2-CG2 2.92Å; H185-V189 PolarHBondContact O-N 2.96Å; H185-F224 PolarHBondContact CD2-O 3.45Å; H185-Q226 PolarHBondContact NE2-O 3.42Å; H185-F228 HydrophobicContact CB-CD2 4.06Å; H185-F228 VanDerWaalsContact CE1-CA 3.45Å; H185-F228 WeakPolarHBondContact CE1-CA 3.36Å; H185-F228 AromaticContact CG-CD2 3.81Å; H185-F228 PolarHBondContact NE2-N 3.39Å; H185-R231 WeakPolarHBondContact ND1-CD 3.3Å; H185-R231 PolarHBondContact ND1-NH1 3.39Å
186	P	98.5	Very high	97.8	Very high	25 Å²	25	26.3 Å²	26.3	16%	0.162	12%	0.123	C	C	.	.	H	α-helix	trans	-54.5	-41.5	177.2	-30.6	38.5	0	0	0	113.4	L182 V189 I190 F224 F225	L182-P186 WeakPolarHBondContact O-CD 3.33Å; P186-V189 PolarHBondContact O-N 3.36Å; P186-I190 WeakPolarHBondContact O-CD1 3.48Å; P186-I190 VanDerWaalsContact O-CG1 3.27Å; P186-I190 WeakPolarHBondContact O-CG1 3.25Å; P186-I190 PolarHBondContact O-N 3.34Å; P186-I190 VanDerWaalsContact O-N 3.1Å; P186-F224 WeakPolarHBondContact CA-O 3.47Å; P186-F224 HydrophobicContact CB-CB 4.05Å; P186-F224 HydrophobicContact CB-CD1 4.45Å; P186-F224 HydrophobicContact CG-CB 4.44Å; P186-F225 HydrophobicContact CG-CE1 4.04Å; P186-F225 HydrophobicContact CG-CE2 4.27Å; P186-F225 HydrophobicContact CG-CZ 3.76Å
187	F	98	Very high	97.9	Very high	48 Å²	48	24.6 Å²	24.6	21%	0.211	11%	0.114	C	C	.	.	H	α-helix	trans	-70.2	-37.1	177.7	-61.1	-80.2	0	0	0	112	T106 H107 I110 S184 H185 I190 T191 F208	T106-F187 HydrophobicContact CG2-CD1 3.68Å; T106-F187 HydrophobicContact CG2-CD2 4.24Å; T106-F187 HydrophobicContact CG2-CE1 3.43Å; T106-F187 VanDerWaalsContact CG2-CE1 3.43Å; T106-F187 HydrophobicContact CG2-CE2 4.03Å; T106-F187 HydrophobicContact CG2-CG 4.08Å; T106-F187 HydrophobicContact CG2-CZ 3.61Å; H107-F187 HydrophobicContact CB-CB 3.94Å; I110-F187 HydrophobicContact CD1-CD2 3.52Å; I110-F187 HydrophobicContact CD1-CE2 3.43Å; I110-F187 VanDerWaalsContact CD1-CE2 3.43Å; I110-F187 HydrophobicContact CD1-CG 4.49Å; I110-F187 HydrophobicContact CD1-CZ 4.34Å; S184-F187 PolarHBondContact O-N 2.84Å; H185-F187 VanDerWaalsContact C-N 3.25Å; H185-F187 PolarHBondContact O-N 3.29Å; F187-I190 PolarHBondContact O-N 3.28Å; F187-T191 PolarHBondContact O-N 3.22Å; F187-T191 PolarHBondContact O-OG1 2.95Å; F187-F208 HydrophobicContact CD1-CE2 4.19Å; F187-F208 HydrophobicContact CD1-CZ 4.39Å; F187-F208 HydrophobicContact CE1-CE2 4.3Å; F187-F208 HydrophobicContact CE1-CZ 4.04Å
188	Y	98.1	Very high	97.9	Very high	38 Å²	38	23.2 Å²	23.2	15%	0.149	11%	0.109	C	C	.	.	H	α-helix	trans	-59	-47.4	172.5	174.6	-100.7	0	0	0	111.5	S184 H185 I190 T191 V192 C287 A290	S184-Y188 PolarHBondContact O-N 3.09Å; H185-Y188 AromaticContact CE1-CD1 3.94Å; H185-Y188 WeakPolarHBondContact O-CA 3.37Å; H185-Y188 VanDerWaalsContact O-CB 3.31Å; H185-Y188 WeakPolarHBondContact O-CB 3.49Å; H185-Y188 PolarHBondContact O-N 3.39Å; Y188-I190 PolarHBondContact O-N 3.32Å; Y188-T191 WeakPolarHBondContact O-CB 3.34Å; Y188-T191 PolarHBondContact O-N 3.35Å; Y188-V192 HydrophobicContact CD1-CG2 4.43Å; Y188-V192 HydrophobicContact CD2-CG2 4.39Å; Y188-V192 HydrophobicContact CE1-CG2 4.01Å; Y188-V192 HydrophobicContact CE2-CG2 3.96Å; Y188-V192 WeakPolarHBondContact O-CG2 3.41Å; Y188-V192 PolarHBondContact O-N 3.24Å; Y188-C287 VanDerWaalsContact OH-CA 3.27Å; Y188-C287 WeakPolarHBondContact OH-CA 3.45Å; Y188-C287 WeakPolarHBondContact OH-CB 3.36Å; Y188-A290 HydrophobicContact CE1-CB 4.22Å
189	V	98.5	Very high	97.8	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-62	-44.7	178.6	172.9	0	0	0	0	111.7	H185 P186 T191 V192 R193 G223 F224 Q226 A290	H185-V189 VanDerWaalsContact NE2-CG2 3.28Å; H185-V189 WeakPolarHBondContact NE2-CG2 2.92Å; H185-V189 PolarHBondContact O-N 2.96Å; P186-V189 PolarHBondContact O-N 3.36Å; V189-T191 VanDerWaalsContact C-N 3.35Å; V189-T191 PolarHBondContact O-N 3.42Å; V189-V192 PolarHBondContact O-N 2.97Å; V189-R193 HydrophobicContact CG1-CG 4.37Å; V189-R193 WeakPolarHBondContact O-CG 3.27Å; V189-R193 PolarHBondContact O-N 3.04Å; V189-G223 WeakPolarHBondContact CG1-O 3.31Å; V189-F224 WeakPolarHBondContact CG2-O 3.36Å; V189-Q226 WeakPolarHBondContact CG2-O 3.44Å; V189-A290 WeakPolarHBondContact CG1-O 3.4Å; V189-A290 HydrophobicContact CG2-CB 4.15Å
190	I	98.3	Very high	97.5	Very high	4 Å²	4	16 Å²	16	2%	0.021	9%	0.09	C	C	.	.	H	α-helix	trans	-58.1	-50	177	-66.7	161.7	0	0	0	109.7	A103 P186 F187 Y188 V192 R193 Q194 F208 A211 V212 F224	A103-I190 HydrophobicContact CB-CB 4.3Å; A103-I190 HydrophobicContact CB-CG2 3.92Å; P186-I190 WeakPolarHBondContact O-CD1 3.48Å; P186-I190 VanDerWaalsContact O-CG1 3.27Å; P186-I190 WeakPolarHBondContact O-CG1 3.25Å; P186-I190 PolarHBondContact O-N 3.34Å; P186-I190 VanDerWaalsContact O-N 3.1Å; F187-I190 PolarHBondContact O-N 3.28Å; Y188-I190 PolarHBondContact O-N 3.32Å; I190-V192 PolarHBondContact O-N 3.48Å; I190-R193 PolarHBondContact O-N 3.44Å; I190-Q194 HydrophobicContact CG2-CG 4.16Å; I190-Q194 VanDerWaalsContact O-CG 3.27Å; I190-Q194 WeakPolarHBondContact O-CG 3.38Å; I190-Q194 PolarHBondContact O-N 2.89Å; I190-F208 HydrophobicContact CD1-CE2 3.75Å; I190-F208 HydrophobicContact CD1-CZ 4.4Å; I190-F208 HydrophobicContact CG2-CD2 3.93Å; I190-F208 HydrophobicContact CG2-CE2 4.16Å; I190-A211 HydrophobicContact CG2-CB 3.93Å; I190-V212 HydrophobicContact CD1-CG2 3.71Å; I190-F224 HydrophobicContact CD1-CD1 4.07Å; I190-F224 HydrophobicContact CD1-CE1 3.91Å; I190-F224 HydrophobicContact CG1-CD1 4.12Å; I190-F224 HydrophobicContact CG1-CE1 4.07Å
191	T	97.4	Very high	97.3	Very high	4 Å²	4	22.6 Å²	22.6	3%	0.025	12%	0.118	C	C	.	.	H	α-helix	trans	-51.4	-53.7	175.6	-73.3	0	0	0	0	111.7	A103 N104 F187 Y188 V189 R193 Q194 I195	A103-T191 WeakPolarHBondContact CB-OG1 3.37Å; N104-T191 PolarHBondContact N-OG1 3.29Å; N104-T191 VanDerWaalsContact OD1-CB 3.32Å; N104-T191 WeakPolarHBondContact OD1-CB 3.47Å; N104-T191 WeakPolarHBondContact OD1-CG2 3.37Å; N104-T191 PolarHBondContact OD1-OG1 3.44Å; F187-T191 PolarHBondContact O-N 3.22Å; F187-T191 PolarHBondContact O-OG1 2.95Å; Y188-T191 WeakPolarHBondContact O-CB 3.34Å; Y188-T191 PolarHBondContact O-N 3.35Å; V189-T191 VanDerWaalsContact C-N 3.35Å; V189-T191 PolarHBondContact O-N 3.42Å; T191-R193 VanDerWaalsContact C-N 3.3Å; T191-R193 PolarHBondContact O-N 3.12Å; T191-Q194 PolarHBondContact O-N 3.37Å; T191-I195 HydrophobicContact CG2-CD1 3.61Å; T191-I195 HydrophobicContact CG2-CG1 4.45Å; T191-I195 WeakPolarHBondContact O-CG1 3.43Å; T191-I195 PolarHBondContact O-N 2.76Å
192	V	98.2	Very high	97.2	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.006	13%	0.125	C	C	.	.	H	α-helix	trans	-62.6	-40.9	-174.5	-179.9	0	0	0	0	110.3	T47 L51 Y188 V189 I190 I195 A196 A290 V291	T47-V192 HydrophobicContact CG2-CB 4.31Å; T47-V192 HydrophobicContact CG2-CG1 3.87Å; T47-V192 HydrophobicContact CG2-CG2 4.11Å; L51-V192 HydrophobicContact CD1-CG1 4.24Å; L51-V192 HydrophobicContact CD2-CG1 4.16Å; Y188-V192 HydrophobicContact CD1-CG2 4.43Å; Y188-V192 HydrophobicContact CD2-CG2 4.39Å; Y188-V192 HydrophobicContact CE1-CG2 4.01Å; Y188-V192 HydrophobicContact CE2-CG2 3.96Å; Y188-V192 WeakPolarHBondContact O-CG2 3.41Å; Y188-V192 PolarHBondContact O-N 3.24Å; V189-V192 PolarHBondContact O-N 2.97Å; I190-V192 PolarHBondContact O-N 3.48Å; V192-I195 PolarHBondContact O-N 3.24Å; V192-A196 VanDerWaalsContact O-CB 3.32Å; V192-A196 WeakPolarHBondContact O-CB 3.33Å; V192-A196 PolarHBondContact O-N 3.29Å; V192-A290 HydrophobicContact CB-CB 4.1Å; V192-A290 HydrophobicContact CG1-CB 4.15Å; V192-A290 HydrophobicContact CG2-CB 4.34Å; V192-V291 HydrophobicContact CG1-CG1 3.77Å
193	R	97.8	Very high	96.9	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-67	-38.9	176.4	-69.7	179.9	178.4	-141.6	2	113	V189 I190 T191 I195 A196 A197 Y205 E218 N219 A290 V291 H292 L296	V189-R193 HydrophobicContact CG1-CG 4.37Å; V189-R193 WeakPolarHBondContact O-CG 3.27Å; V189-R193 PolarHBondContact O-N 3.04Å; I190-R193 PolarHBondContact O-N 3.44Å; T191-R193 VanDerWaalsContact C-N 3.3Å; T191-R193 PolarHBondContact O-N 3.12Å; R193-I195 VanDerWaalsContact C-N 3.31Å; R193-I195 PolarHBondContact O-N 3.31Å; R193-A196 PolarHBondContact O-N 3.44Å; R193-A197 WeakPolarHBondContact O-CB 2.86Å; R193-A197 PolarHBondContact O-N 3.3Å; R193-Y205 HydrophobicContact CB-CD1 3.85Å; R193-Y205 HydrophobicContact CB-CE1 3.62Å; R193-Y205 HydrophobicContact CG-CE1 4.34Å; R193-Y205 PolarHBondContact NH1-OH 3.33Å; R193-E218 IonicContact NH1-OE2 3.7Å; R193-N219 PolarHBondContact NH1-ND2 3.47Å; R193-A290 PolarHBondContact NE-O 3.39Å; R193-V291 HydrophobicContact CG-CG1 4.07Å; R193-H292 PolarHBondContact NH2-O 2.78Å; R193-L296 HydrophobicContact CB-CD1 4.32Å
194	Q	97.9	Very high	96.6	Very high	9 Å²	9	27.9 Å²	27.9	4%	0.042	15%	0.145	C	C	.	.	H	α-helix	trans	-62.5	-39.2	173.2	-66.9	-165.6	-79.8	0	0	112	T99 I190 T191 Y205 T206 A211	T99-Q194 HydrophobicContact CG2-CB 4.22Å; T99-Q194 WeakPolarHBondContact CG2-O 3.27Å; I190-Q194 HydrophobicContact CG2-CG 4.16Å; I190-Q194 VanDerWaalsContact O-CG 3.27Å; I190-Q194 WeakPolarHBondContact O-CG 3.38Å; I190-Q194 PolarHBondContact O-N 2.89Å; T191-Q194 PolarHBondContact O-N 3.37Å; Q194-Y205 VanDerWaalsContact CG-O 3.29Å; Q194-Y205 WeakPolarHBondContact CG-O 3.47Å; Q194-Y205 PolarHBondContact NE2-O 2.89Å; Q194-T206 PolarHBondContact NE2-O 3.28Å; Q194-A211 HydrophobicContact CG-CB 3.75Å
195	I	97.9	Very high	96.5	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-70.3	-42.5	175.5	-66.3	167.3	0	0	0	111.1	V44 T47 L48 T99 T191 V192 R193 A197 L198	V44-I195 HydrophobicContact CG1-CG2 4.04Å; V44-I195 HydrophobicContact CG2-CD1 4.29Å; V44-I195 HydrophobicContact CG2-CG1 4.15Å; T47-I195 HydrophobicContact CG2-CB 4.16Å; T47-I195 HydrophobicContact CG2-CD1 3.95Å; T47-I195 HydrophobicContact CG2-CG2 3.96Å; L48-I195 HydrophobicContact CD1-CG2 4.39Å; L48-I195 HydrophobicContact CD2-CG2 3.81Å; L48-I195 HydrophobicContact CG-CG2 3.64Å; T99-I195 HydrophobicContact CG2-CG1 4Å; T191-I195 HydrophobicContact CG2-CD1 3.61Å; T191-I195 HydrophobicContact CG2-CG1 4.45Å; T191-I195 WeakPolarHBondContact O-CG1 3.43Å; T191-I195 PolarHBondContact O-N 2.76Å; V192-I195 PolarHBondContact O-N 3.24Å; R193-I195 VanDerWaalsContact C-N 3.31Å; R193-I195 PolarHBondContact O-N 3.31Å; I195-A197 VanDerWaalsContact C-N 3.25Å; I195-A197 PolarHBondContact O-N 2.85Å; I195-L198 WeakPolarHBondContact O-CB 3.32Å; I195-L198 WeakPolarHBondContact O-CG 3.5Å; I195-L198 PolarHBondContact O-N 2.91Å
196	A	97.9	Very high	96.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-61.4	-34	178.1	0	0	0	0	0	112.4	L51 V192 R193 L198 I199 V291 L296	L51-A196 HydrophobicContact CD1-CB 3.68Å; V192-A196 VanDerWaalsContact O-CB 3.32Å; V192-A196 WeakPolarHBondContact O-CB 3.33Å; V192-A196 PolarHBondContact O-N 3.29Å; R193-A196 PolarHBondContact O-N 3.44Å; A196-L198 PolarHBondContact O-N 3.49Å; A196-L198 VanDerWaalsContact O-N 3.1Å; A196-I199 VanDerWaalsContact O-CB 3.32Å; A196-I199 WeakPolarHBondContact O-CB 3.27Å; A196-I199 WeakPolarHBondContact O-CG1 3.25Å; A196-I199 PolarHBondContact O-N 3.47Å; A196-V291 HydrophobicContact CB-CG1 3.75Å; A196-L296 HydrophobicContact CB-CD1 3.96Å
197	A	97.4	Very high	95.9	Very high	4 Å²	4	36.1 Å²	36.1	3%	0.033	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-8.9	173.7	0	0	0	0	0	114.4	R193 I195 I199 K201 E202 Y205 L296	R193-A197 WeakPolarHBondContact O-CB 2.86Å; R193-A197 PolarHBondContact O-N 3.3Å; I195-A197 VanDerWaalsContact C-N 3.25Å; I195-A197 PolarHBondContact O-N 2.85Å; A197-I199 VanDerWaalsContact C-N 3.31Å; A197-K201 WeakPolarHBondContact O-CA 3.35Å; A197-K201 PolarHBondContact O-N 3.04Å; A197-E202 VanDerWaalsContact C-OE2 3.26Å; A197-E202 VanDerWaalsContact CA-OE2 3.25Å; A197-E202 WeakPolarHBondContact CA-OE2 3.48Å; A197-E202 HydrophobicContact CB-CB 4.17Å; A197-E202 PolarHBondContact O-N 3.22Å; A197-Y205 HydrophobicContact CB-CD2 4.13Å; A197-Y205 HydrophobicContact CB-CG 4.26Å; A197-L296 HydrophobicContact CB-CD2 3.89Å
198	L	96.3	Very high	95.8	Very high	10 Å²	10	36 Å²	36	5%	0.052	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-24.6	170.5	-62.9	-176.7	0	0	0	112.6	V44 I91 K95 T99 I195 A196	V44-L198 HydrophobicContact CG1-CD1 3.59Å; I91-L198 HydrophobicContact CD1-CB 4.21Å; I91-L198 HydrophobicContact CG2-CD2 4.23Å; K95-L198 HydrophobicContact CD-CD2 4.19Å; K95-L198 HydrophobicContact CG-CD2 4.06Å; T99-L198 HydrophobicContact CG2-CD1 3.94Å; T99-L198 HydrophobicContact CG2-CD2 4.27Å; T99-L198 HydrophobicContact CG2-CG 4.07Å; I195-L198 WeakPolarHBondContact O-CB 3.32Å; I195-L198 WeakPolarHBondContact O-CG 3.5Å; I195-L198 PolarHBondContact O-N 2.91Å; A196-L198 PolarHBondContact O-N 3.49Å; A196-L198 VanDerWaalsContact O-N 3.1Å
199	I	95	Very high	95.8	Very high	33 Å²	33	38.6 Å²	38.6	17%	0.169	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-53	-176.5	-62.3	168.8	0	0	0	110	L48 Y53 A196 A197 I297	L48-I199 HydrophobicContact CD2-CD1 3.74Å; L48-I199 HydrophobicContact CD2-CG1 3.55Å; Y53-I199 HydrophobicContact CD1-CG1 4.1Å; Y53-I199 HydrophobicContact CD2-CD1 4.45Å; Y53-I199 HydrophobicContact CD2-CG1 4.09Å; Y53-I199 HydrophobicContact CD2-CG2 3.78Å; Y53-I199 HydrophobicContact CE2-CG2 3.92Å; Y53-I199 HydrophobicContact CG-CD1 4.1Å; Y53-I199 HydrophobicContact CG-CG1 3.84Å; Y53-I199 HydrophobicContact CG-CG2 4.4Å; A196-I199 VanDerWaalsContact O-CB 3.32Å; A196-I199 WeakPolarHBondContact O-CB 3.27Å; A196-I199 WeakPolarHBondContact O-CG1 3.25Å; A196-I199 PolarHBondContact O-N 3.47Å; A197-I199 VanDerWaalsContact C-N 3.31Å; I199-I297 HydrophobicContact CG2-CG2 4.24Å
200	G	92.8	Very high	95.7	Very high	27 Å²	27	43.5 Å²	43.5	28%	0.278	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	3	-179.7	0	0	0	0	0	114.4	E202	G200-E202 VanDerWaalsContact CA-CD 3.4Å; G200-E202 WeakPolarHBondContact CA-OE2 3.46Å; G200-E202 PolarHBondContact N-OE2 3.25Å; G200-E202 PolarHBondContact O-N 2.93Å
201	K	93.5	Very high	95.6	Very high	164 Å²	164	43.3 Å²	43.3	71%	0.713	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.1	31.9	-173.4	-54.7	176.9	-178.7	175.7	0	112.4	A197	A197-K201 WeakPolarHBondContact O-CA 3.35Å; A197-K201 PolarHBondContact O-N 3.04Å
202	E	94.1	Very high	95.7	Very high	32 Å²	32	45.3 Å²	45.3	15%	0.15	24%	0.24	C	C	.	.			trans	-67.8	140.8	-179.8	-58	94.2	150.4	0	0	111.4	A197 G200 L296 I297	A197-E202 VanDerWaalsContact C-OE2 3.26Å; A197-E202 VanDerWaalsContact CA-OE2 3.25Å; A197-E202 WeakPolarHBondContact CA-OE2 3.48Å; A197-E202 HydrophobicContact CB-CB 4.17Å; A197-E202 PolarHBondContact O-N 3.22Å; G200-E202 VanDerWaalsContact CA-CD 3.4Å; G200-E202 WeakPolarHBondContact CA-OE2 3.46Å; G200-E202 PolarHBondContact N-OE2 3.25Å; G200-E202 PolarHBondContact O-N 2.93Å; E202-L296 HydrophobicContact CB-CD2 3.91Å; E202-L296 HydrophobicContact CG-CD2 3.78Å; E202-I297 PolarHBondContact OE1-N 3.28Å
203	T	92.7	Very high	95.7	Very high	112 Å²	112	52.6 Å²	52.6	69%	0.687	27%	0.268	S	S	*	.	S	Bend	trans	-97.4	-15.7	-174.7	54.8	0	0	0	0	113.8	Y205 T206	T203-Y205 PolarHBondContact O-N 3.49Å; T203-Y205 VanDerWaalsContact O-N 3.16Å; T203-T206 WeakPolarHBondContact CA-OG1 3.48Å; T203-T206 WeakPolarHBondContact O-CB 3.37Å; T203-T206 PolarHBondContact O-N 3.23Å; T203-T206 PolarHBondContact O-OG1 3.37Å
204	Q	92.8	Very high	95.6	Very high	74 Å²	74	53.1 Å²	53.1	35%	0.346	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-16.7	-174.7	76.6	-159.5	22.6	0	0	114.2	M210 A214 E218 N295	Q204-M210 CarbonylContact O-C 3.25Å; Q204-A214 HydrophobicContact CB-CB 4.45Å; Q204-A214 HydrophobicContact CG-CB 4.25Å; Q204-E218 PolarHBondContact NE2-OE1 2.94Å; Q204-N295 PolarHBondContact NE2-O 2.76Å
205	Y	94.3	Very high	95.6	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.008	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.6	11.6	179.1	-69.9	-85.1	0	0	0	113.7	R193 Q194 A197 T203 F207 A211 A214 V215 E218 L296	R193-Y205 HydrophobicContact CB-CD1 3.85Å; R193-Y205 HydrophobicContact CB-CE1 3.62Å; R193-Y205 HydrophobicContact CG-CE1 4.34Å; R193-Y205 PolarHBondContact NH1-OH 3.33Å; Q194-Y205 VanDerWaalsContact CG-O 3.29Å; Q194-Y205 WeakPolarHBondContact CG-O 3.47Å; Q194-Y205 PolarHBondContact NE2-O 2.89Å; A197-Y205 HydrophobicContact CB-CD2 4.13Å; A197-Y205 HydrophobicContact CB-CG 4.26Å; T203-Y205 PolarHBondContact O-N 3.49Å; T203-Y205 VanDerWaalsContact O-N 3.16Å; Y205-F207 PolarHBondContact O-N 3.48Å; Y205-A211 HydrophobicContact CD1-CB 3.76Å; Y205-A214 HydrophobicContact CD1-CB 4.44Å; Y205-A214 HydrophobicContact CE1-CB 4Å; Y205-A214 HydrophobicContact CE2-CB 4.39Å; Y205-V215 HydrophobicContact CE1-CG2 3.84Å; Y205-E218 VanDerWaalsContact OH-CD 3.31Å; Y205-E218 PolarHBondContact OH-OE1 3.33Å; Y205-E218 PolarHBondContact OH-OE2 2.63Å; Y205-L296 HydrophobicContact CD2-CD1 4.12Å; Y205-L296 HydrophobicContact CD2-CD2 3.66Å; Y205-L296 HydrophobicContact CD2-CG 4.22Å; Y205-L296 HydrophobicContact CE2-CD1 3.77Å; Y205-L296 HydrophobicContact CE2-CD2 3.67Å; Y205-L296 HydrophobicContact CE2-CG 3.77Å
206	T	91	Very high	95.6	Very high	68 Å²	68	59.7 Å²	59.7	42%	0.417	30%	0.298	S	S	.	.	S	Bend	trans	-60.6	-50.1	-172	-52.4	0	0	0	0	113	Q194 T203	Q194-T206 PolarHBondContact NE2-O 3.28Å; T203-T206 WeakPolarHBondContact CA-OG1 3.48Å; T203-T206 WeakPolarHBondContact O-CB 3.37Å; T203-T206 PolarHBondContact O-N 3.23Å; T203-T206 PolarHBondContact O-OG1 3.37Å
207	F	94	Very high	95.6	Very high	129 Å²	129	68 Å²	68	57%	0.566	33%	0.329	S	S	*	.	S	Bend	trans	-109.7	152.8	-179.7	-60.6	-70.3	0	0	0	111.3	Y205 M210 A211	Y205-F207 PolarHBondContact O-N 3.48Å; F207-M210 HydrophobicContact CB-CB 4.46Å; F207-M210 HydrophobicContact CB-CG 4.27Å; F207-M210 HydrophobicContact CB-SD 4.41Å; F207-M210 HydrophobicContact CD2-CE 3.93Å; F207-M210 HydrophobicContact CD2-SD 3.74Å; F207-M210 WeakPolarHBondContact O-CB 3.34Å; F207-M210 PolarHBondContact O-N 2.85Å; F207-M210 VanDerWaalsContact O-N 3.1Å; F207-A211 WeakPolarHBondContact O-CB 3.4Å; F207-A211 PolarHBondContact O-N 3.1Å
208	F	96	Very high	95.5	Very high	45 Å²	45	70.1 Å²	70.1	20%	0.197	34%	0.338	C	S	.	.	H	α-helix	trans	-55.1	-50.7	-176.5	170.7	-98.8	0	0	0	113.8	F102 A103 F187 I190 M210 A211 V212	F102-F208 HydrophobicContact CB-CB 4.34Å; F102-F208 HydrophobicContact CD1-CB 3.86Å; F102-F208 AromaticContact CD1-CD1 3.56Å; F102-F208 HydrophobicContact CD1-CD1 3.56Å; F102-F208 AromaticContact CD1-CD2 3.71Å; F102-F208 HydrophobicContact CD1-CD2 3.71Å; F102-F208 AromaticContact CD1-CE1 3.99Å; F102-F208 HydrophobicContact CD1-CE1 3.99Å; F102-F208 HydrophobicContact CD1-CE2 4.1Å; F102-F208 AromaticContact CD1-CG 3.41Å; F102-F208 HydrophobicContact CD1-CG 3.41Å; F102-F208 VanDerWaalsContact CD1-CG 3.41Å; F102-F208 HydrophobicContact CD1-CZ 4.23Å; F102-F208 AromaticContact CE1-CD1 3.51Å; F102-F208 HydrophobicContact CE1-CD1 3.51Å; F102-F208 HydrophobicContact CE1-CD2 4.24Å; F102-F208 AromaticContact CE1-CE1 3.55Å; F102-F208 HydrophobicContact CE1-CE1 3.55Å; F102-F208 HydrophobicContact CE1-CE2 4.25Å; F102-F208 AromaticContact CE1-CG 3.88Å; F102-F208 HydrophobicContact CE1-CG 3.88Å; F102-F208 AromaticContact CE1-CZ 3.93Å; F102-F208 HydrophobicContact CE1-CZ 3.93Å; F102-F208 HydrophobicContact CG-CB 4.38Å; F102-F208 HydrophobicContact CG-CG 4.38Å; A103-F208 HydrophobicContact CB-CD2 4.03Å; A103-F208 HydrophobicContact CB-CE2 4.29Å; F187-F208 HydrophobicContact CD1-CE2 4.19Å; F187-F208 HydrophobicContact CD1-CZ 4.39Å; F187-F208 HydrophobicContact CE1-CE2 4.3Å; F187-F208 HydrophobicContact CE1-CZ 4.04Å; I190-F208 HydrophobicContact CD1-CE2 3.75Å; I190-F208 HydrophobicContact CD1-CZ 4.4Å; I190-F208 HydrophobicContact CG2-CD2 3.93Å; I190-F208 HydrophobicContact CG2-CE2 4.16Å; F208-M210 VanDerWaalsContact C-N 3.27Å; F208-M210 PolarHBondContact O-N 3.43Å; F208-A211 WeakPolarHBondContact O-CB 3.45Å; F208-A211 PolarHBondContact O-N 3.28Å; F208-V212 HydrophobicContact CD1-CG2 4.43Å; F208-V212 HydrophobicContact CD2-CG2 4.27Å; F208-V212 HydrophobicContact CE1-CG2 3.99Å; F208-V212 HydrophobicContact CE2-CG2 3.85Å; F208-V212 HydrophobicContact CZ-CG2 3.69Å; F208-V212 WeakPolarHBondContact O-CG2 3.13Å; F208-V212 PolarHBondContact O-N 3.44Å
209	P	97.3	Very high	95.5	Very high	93 Å²	93	71.7 Å²	71.7	60%	0.604	35%	0.347	S	S	*	.	H	α-helix	trans	-63.7	-32.5	178.2	-23	34.9	0	0	0	113.3	R213	P209-R213 WeakPolarHBondContact O-CB 3.39Å; P209-R213 PolarHBondContact O-N 3.03Å
210	M	96.7	Very high	95.5	Very high	102 Å²	102	71.3 Å²	71.3	50%	0.502	35%	0.351	S	S	.	.	H	α-helix	trans	-68.3	-43.6	175.3	-65.2	-172.6	-180	0	0	111	Q204 F207 F208 R213 A214	Q204-M210 CarbonylContact O-C 3.25Å; F207-M210 HydrophobicContact CB-CB 4.46Å; F207-M210 HydrophobicContact CB-CG 4.27Å; F207-M210 HydrophobicContact CB-SD 4.41Å; F207-M210 HydrophobicContact CD2-CE 3.93Å; F207-M210 HydrophobicContact CD2-SD 3.74Å; F207-M210 WeakPolarHBondContact O-CB 3.34Å; F207-M210 PolarHBondContact O-N 2.85Å; F207-M210 VanDerWaalsContact O-N 3.1Å; F208-M210 VanDerWaalsContact C-N 3.27Å; F208-M210 PolarHBondContact O-N 3.43Å; M210-R213 PolarHBondContact O-N 3.11Å; M210-A214 WeakPolarHBondContact O-CB 3.48Å; M210-A214 PolarHBondContact O-N 3Å
211	A	97.2	Very high	95.7	Very high	0 Å²	0	75.9 Å²	75.9	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-60.4	-45.6	175	0	0	0	0	0	111.6	I190 Q194 Y205 F207 F208 R213 A214 V215	I190-A211 HydrophobicContact CG2-CB 3.93Å; Q194-A211 HydrophobicContact CG-CB 3.75Å; Y205-A211 HydrophobicContact CD1-CB 3.76Å; F207-A211 WeakPolarHBondContact O-CB 3.4Å; F207-A211 PolarHBondContact O-N 3.1Å; F208-A211 WeakPolarHBondContact O-CB 3.45Å; F208-A211 PolarHBondContact O-N 3.28Å; A211-R213 VanDerWaalsContact C-N 3.34Å; A211-R213 PolarHBondContact O-N 2.73Å; A211-A214 PolarHBondContact O-N 3.18Å; A211-V215 WeakPolarHBondContact O-CG2 3.3Å; A211-V215 PolarHBondContact O-N 2.82Å
212	V	98.2	Very high	95.8	Very high	46 Å²	46	74.2 Å²	74.2	28%	0.279	37%	0.366	S	S	.	.	H	α-helix	trans	-57.3	-47.8	174.8	172.5	0	0	0	0	110.9	I190 F208 A214 V215 Y216 F224	I190-V212 HydrophobicContact CD1-CG2 3.71Å; F208-V212 HydrophobicContact CD1-CG2 4.43Å; F208-V212 HydrophobicContact CD2-CG2 4.27Å; F208-V212 HydrophobicContact CE1-CG2 3.99Å; F208-V212 HydrophobicContact CE2-CG2 3.85Å; F208-V212 HydrophobicContact CZ-CG2 3.69Å; F208-V212 WeakPolarHBondContact O-CG2 3.13Å; F208-V212 PolarHBondContact O-N 3.44Å; V212-A214 VanDerWaalsContact C-N 3.33Å; V212-A214 PolarHBondContact O-N 2.96Å; V212-V215 PolarHBondContact O-N 3.16Å; V212-Y216 WeakPolarHBondContact O-CB 3.08Å; V212-Y216 PolarHBondContact O-N 2.89Å; V212-Y216 VanDerWaalsContact O-N 3.08Å; V212-F224 HydrophobicContact CG1-CE1 4.24Å; V212-F224 HydrophobicContact CG1-CZ 3.98Å
213	R	98.1	Very high	96	Very high	154 Å²	154	72.7 Å²	72.7	58%	0.581	36%	0.359	S	S	*	.	H	α-helix	trans	-61.8	-40	177.6	-176.3	-176.7	178.2	104.8	-10.1	112	P209 M210 A211 R217	P209-R213 WeakPolarHBondContact O-CB 3.39Å; P209-R213 PolarHBondContact O-N 3.03Å; M210-R213 PolarHBondContact O-N 3.11Å; A211-R213 VanDerWaalsContact C-N 3.34Å; A211-R213 PolarHBondContact O-N 2.73Å; R213-R217 WeakPolarHBondContact O-CB 3.22Å; R213-R217 WeakPolarHBondContact O-CG 3.43Å; R213-R217 PolarHBondContact O-N 3.39Å
214	A	97.4	Very high	96.2	Very high	11 Å²	11	68.5 Å²	68.5	9%	0.091	33%	0.331	C	S	.	.	H	α-helix	trans	-64.9	-49.9	178.6	0	0	0	0	0	111.4	Q204 Y205 M210 A211 V212 Y216 R217 E218	Q204-A214 HydrophobicContact CB-CB 4.45Å; Q204-A214 HydrophobicContact CG-CB 4.25Å; Y205-A214 HydrophobicContact CD1-CB 4.44Å; Y205-A214 HydrophobicContact CE1-CB 4Å; Y205-A214 HydrophobicContact CE2-CB 4.39Å; M210-A214 WeakPolarHBondContact O-CB 3.48Å; M210-A214 PolarHBondContact O-N 3Å; A211-A214 PolarHBondContact O-N 3.18Å; V212-A214 VanDerWaalsContact C-N 3.33Å; V212-A214 PolarHBondContact O-N 2.96Å; A214-Y216 VanDerWaalsContact C-N 3.32Å; A214-Y216 PolarHBondContact O-N 3.4Å; A214-R217 PolarHBondContact O-N 3.36Å; A214-E218 WeakPolarHBondContact O-CB 3.33Å; A214-E218 VanDerWaalsContact O-CG 3.3Å; A214-E218 WeakPolarHBondContact O-CG 3.28Å; A214-E218 PolarHBondContact O-N 3.46Å
215	V	97.7	Very high	96.5	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-55.8	-47.8	176.9	176.7	0	0	0	0	111.2	Y205 A211 V212 R217 E218 N219 F224	Y205-V215 HydrophobicContact CE1-CG2 3.84Å; A211-V215 WeakPolarHBondContact O-CG2 3.3Å; A211-V215 PolarHBondContact O-N 2.82Å; V212-V215 PolarHBondContact O-N 3.16Å; V215-R217 PolarHBondContact O-N 2.97Å; V215-E218 PolarHBondContact O-N 2.94Å; V215-N219 PolarHBondContact O-N 2.95Å; V215-F224 HydrophobicContact CB-CD1 4.41Å; V215-F224 HydrophobicContact CB-CE1 3.85Å; V215-F224 HydrophobicContact CB-CE2 4.42Å; V215-F224 HydrophobicContact CB-CZ 3.86Å; V215-F224 HydrophobicContact CG1-CD1 3.85Å; V215-F224 HydrophobicContact CG1-CD2 4.03Å; V215-F224 HydrophobicContact CG1-CE1 3.76Å; V215-F224 HydrophobicContact CG1-CE2 3.94Å; V215-F224 HydrophobicContact CG1-CG 3.98Å; V215-F224 HydrophobicContact CG1-CZ 3.81Å; V215-F224 HydrophobicContact CG2-CE1 4.45Å
216	Y	98.1	Very high	96.6	Very high	147 Å²	147	70.4 Å²	70.4	58%	0.576	34%	0.339	S	S	*	.	H	α-helix	trans	-64.6	-39.1	-179.3	-175.2	-99.5	0	0	0	112.6	V212 A214 G220 F224	V212-Y216 WeakPolarHBondContact O-CB 3.08Å; V212-Y216 PolarHBondContact O-N 2.89Å; V212-Y216 VanDerWaalsContact O-N 3.08Å; A214-Y216 VanDerWaalsContact C-N 3.32Å; A214-Y216 PolarHBondContact O-N 3.4Å; Y216-G220 WeakPolarHBondContact O-CA 3.5Å; Y216-G220 PolarHBondContact O-N 3.48Å; Y216-F224 HydrophobicContact CD2-CE2 4.35Å
217	R	97.3	Very high	96.9	Very high	176 Å²	176	67.5 Å²	67.5	66%	0.664	32%	0.322	S	S	*	.	H	α-helix	trans	-68.6	-35.1	177.6	-79.9	-176.8	167.8	-144.7	-10.8	113.1	R213 A214 V215	R213-R217 WeakPolarHBondContact O-CB 3.22Å; R213-R217 WeakPolarHBondContact O-CG 3.43Å; R213-R217 PolarHBondContact O-N 3.39Å; A214-R217 PolarHBondContact O-N 3.36Å; V215-R217 PolarHBondContact O-N 2.97Å
218	E	95.3	Very high	97.1	Very high	47 Å²	47	62.5 Å²	62.5	22%	0.22	30%	0.3	C	S	.	.	H	α-helix	trans	-82	-42.4	-176	-68.5	168.1	-166.6	0	0	112.5	R193 Q204 Y205 A214 V215 A294 N295	R193-E218 IonicContact NH1-OE2 3.7Å; Q204-E218 PolarHBondContact NE2-OE1 2.94Å; Y205-E218 VanDerWaalsContact OH-CD 3.31Å; Y205-E218 PolarHBondContact OH-OE1 3.33Å; Y205-E218 PolarHBondContact OH-OE2 2.63Å; A214-E218 WeakPolarHBondContact O-CB 3.33Å; A214-E218 VanDerWaalsContact O-CG 3.3Å; A214-E218 WeakPolarHBondContact O-CG 3.28Å; A214-E218 PolarHBondContact O-N 3.46Å; V215-E218 PolarHBondContact O-N 2.94Å; E218-A294 WeakPolarHBondContact OE2-CA 3.45Å; E218-N295 PolarHBondContact OE2-N 3.49Å
219	N	95.5	Very high	97.2	Very high	44 Å²	44	64.3 Å²	64.3	24%	0.235	31%	0.311	C	S	.	.	H	α-helix	trans	-132.8	5.5	-169.3	-66.4	-84.4	0	0	0	113.9	R193 V215 G223 G293	R193-N219 PolarHBondContact NH1-ND2 3.47Å; V215-N219 PolarHBondContact O-N 2.95Å; N219-G223 VanDerWaalsContact CB-CA 3.42Å; N219-G223 PolarHBondContact O-N 2.88Å; N219-G293 VanDerWaalsContact ND2-C 3.34Å; N219-G293 PolarHBondContact ND2-O 3.38Å; N219-G293 WeakPolarHBondContact OD1-CA 3.17Å; N219-G293 PolarHBondContact OD1-O 3.49Å
220	G	96.6	Very high	97.2	Very high	25 Å²	25	60 Å²	60	26%	0.258	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	60.2	-150.1	-173.3	0	0	0	0	0	112.5	Y216 L222 G223	Y216-G220 WeakPolarHBondContact O-CA 3.5Å; Y216-G220 PolarHBondContact O-N 3.48Å; G220-L222 VanDerWaalsContact C-N 3.29Å; G220-L222 PolarHBondContact O-N 3.48Å; G220-G223 PolarHBondContact O-N 2.72Å
221	I	96.4	Very high	97.2	Very high	123 Å²	123	56.2 Å²	56.2	63%	0.631	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-69.4	-28.7	-177.4	-148.6	161.7	0	0	0	112.7	G223 F224	I221-G223 PolarHBondContact O-N 3.38Å; I221-F224 PolarHBondContact O-N 2.94Å
222	L	96	Very high	97.3	Very high	128 Å²	128	57.4 Å²	57.4	67%	0.67	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-67.5	-25	178	-65	178.2	0	0	0	112	G220 F224 F225 Q226	G220-L222 VanDerWaalsContact C-N 3.29Å; G220-L222 PolarHBondContact O-N 3.48Å; L222-F224 PolarHBondContact O-N 2.9Å; L222-F225 CarbonylContact O-C 3.6Å; L222-F225 PolarHBondContact O-N 2.93Å; L222-Q226 PolarHBondContact O-N 3Å
223	G	96.7	Very high	97.3	Very high	0 Å²	0	58 Å²	58	0%	0	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-53.4	-37.1	173.4	0	0	0	0	0	113.6	V189 N219 G220 I221 F225 Q226	V189-G223 WeakPolarHBondContact CG1-O 3.31Å; N219-G223 VanDerWaalsContact CB-CA 3.42Å; N219-G223 PolarHBondContact O-N 2.88Å; G220-G223 PolarHBondContact O-N 2.72Å; I221-G223 PolarHBondContact O-N 3.38Å; G223-F225 PolarHBondContact O-N 3.47Å; G223-Q226 WeakPolarHBondContact O-CG 3.37Å
224	F	98.1	Very high	97.3	Very high	25 Å²	25	50.9 Å²	50.9	11%	0.11	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-74.8	-12	179.3	-61.9	-80.2	0	0	0	113.7	H185 P186 V189 I190 V212 V215 Y216 I221 L222	H185-F224 PolarHBondContact CD2-O 3.45Å; P186-F224 WeakPolarHBondContact CA-O 3.47Å; P186-F224 HydrophobicContact CB-CB 4.05Å; P186-F224 HydrophobicContact CB-CD1 4.45Å; P186-F224 HydrophobicContact CG-CB 4.44Å; V189-F224 WeakPolarHBondContact CG2-O 3.36Å; I190-F224 HydrophobicContact CD1-CD1 4.07Å; I190-F224 HydrophobicContact CD1-CE1 3.91Å; I190-F224 HydrophobicContact CG1-CD1 4.12Å; I190-F224 HydrophobicContact CG1-CE1 4.07Å; V212-F224 HydrophobicContact CG1-CE1 4.24Å; V212-F224 HydrophobicContact CG1-CZ 3.98Å; V215-F224 HydrophobicContact CB-CD1 4.41Å; V215-F224 HydrophobicContact CB-CE1 3.85Å; V215-F224 HydrophobicContact CB-CE2 4.42Å; V215-F224 HydrophobicContact CB-CZ 3.86Å; V215-F224 HydrophobicContact CG1-CD1 3.85Å; V215-F224 HydrophobicContact CG1-CD2 4.03Å; V215-F224 HydrophobicContact CG1-CE1 3.76Å; V215-F224 HydrophobicContact CG1-CE2 3.94Å; V215-F224 HydrophobicContact CG1-CG 3.98Å; V215-F224 HydrophobicContact CG1-CZ 3.81Å; V215-F224 HydrophobicContact CG2-CE1 4.45Å; Y216-F224 HydrophobicContact CD2-CE2 4.35Å; I221-F224 PolarHBondContact O-N 2.94Å; L222-F224 PolarHBondContact O-N 2.9Å
225	F	98	Very high	97.3	Very high	75 Å²	75	52.7 Å²	52.7	33%	0.329	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-112.8	12.5	-179.4	-66.8	-84.9	0	0	0	113.1	L182 P186 L222 G223 G227 F228	L182-F225 HydrophobicContact CD1-CE1 4Å; P186-F225 HydrophobicContact CG-CE1 4.04Å; P186-F225 HydrophobicContact CG-CE2 4.27Å; P186-F225 HydrophobicContact CG-CZ 3.76Å; L222-F225 CarbonylContact O-C 3.6Å; L222-F225 PolarHBondContact O-N 2.93Å; G223-F225 PolarHBondContact O-N 3.47Å; F225-G227 PolarHBondContact O-N 3.18Å; F225-F228 HydrophobicContact CB-CB 4.35Å; F225-F228 HydrophobicContact CD1-CG 4.46Å; F225-F228 WeakPolarHBondContact O-CB 3.44Å; F225-F228 PolarHBondContact O-N 2.91Å; F225-F228 VanDerWaalsContact O-N 3.09Å
226	Q	97.7	Very high	97.3	Very high	41 Å²	41	54.9 Å²	54.9	19%	0.192	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	133.5	173.4	-72.8	-68.8	8.7	0	0	111	H185 V189 L222 G223 F228 M289	H185-Q226 PolarHBondContact NE2-O 3.42Å; V189-Q226 WeakPolarHBondContact CG2-O 3.44Å; L222-Q226 PolarHBondContact O-N 3Å; G223-Q226 WeakPolarHBondContact O-CG 3.37Å; Q226-F228 PolarHBondContact O-N 3.38Å; Q226-M289 WeakPolarHBondContact CB-O 3.08Å
227	G	96.8	Very high	97.3	Very high	6 Å²	6	51.2 Å²	51.2	6%	0.062	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.6	8	-174.4	0	0	0	0	0	116	F225 P230 R231	F225-G227 PolarHBondContact O-N 3.18Å; G227-P230 WeakPolarHBondContact O-CD 3.49Å; G227-P230 WeakPolarHBondContact O-CG 3.26Å; G227-R231 PolarHBondContact O-N 3.15Å
228	F	98.1	Very high	97.3	Very high	25 Å²	25	43.2 Å²	43.2	11%	0.11	22%	0.223	C	C	.	.	H	α-helix	trans	-62.5	-47.9	-179	173.9	-110.3	0	0	0	113.2	V181 L182 H185 F225 Q226 R231 L232	V181-F228 HydrophobicContact CG1-CD2 4.26Å; V181-F228 HydrophobicContact CG1-CE2 3.84Å; L182-F228 HydrophobicContact CB-CE2 4.32Å; L182-F228 HydrophobicContact CB-CZ 4.41Å; L182-F228 HydrophobicContact CD1-CE1 4.29Å; L182-F228 HydrophobicContact CD1-CE2 3.95Å; L182-F228 HydrophobicContact CD1-CZ 3.63Å; H185-F228 HydrophobicContact CB-CD2 4.06Å; H185-F228 VanDerWaalsContact CE1-CA 3.45Å; H185-F228 WeakPolarHBondContact CE1-CA 3.36Å; H185-F228 AromaticContact CG-CD2 3.81Å; H185-F228 PolarHBondContact NE2-N 3.39Å; F225-F228 HydrophobicContact CB-CB 4.35Å; F225-F228 HydrophobicContact CD1-CG 4.46Å; F225-F228 WeakPolarHBondContact O-CB 3.44Å; F225-F228 PolarHBondContact O-N 2.91Å; F225-F228 VanDerWaalsContact O-N 3.09Å; Q226-F228 PolarHBondContact O-N 3.38Å; F228-R231 PolarHBondContact O-N 2.65Å; F228-L232 HydrophobicContact CE1-CD2 3.86Å; F228-L232 HydrophobicContact CE2-CB 4.41Å; F228-L232 HydrophobicContact CZ-CB 4.29Å; F228-L232 HydrophobicContact CZ-CD1 4.46Å; F228-L232 HydrophobicContact CZ-CD2 3.76Å; F228-L232 HydrophobicContact CZ-CG 4.39Å; F228-L232 WeakPolarHBondContact O-CB 3.34Å; F228-L232 PolarHBondContact O-N 3.24Å
229	I	98.1	Very high	97.4	Very high	82 Å²	82	41.7 Å²	41.7	42%	0.421	22%	0.217	S	C	.	.	H	α-helix	trans	-58.5	-54.9	-175	-59.1	-62.1	0	0	0	113.1	R231 L232 I233 W308	I229-R231 VanDerWaalsContact C-N 3.32Å; I229-R231 PolarHBondContact O-N 3.49Å; I229-L232 PolarHBondContact O-N 3.46Å; I229-I233 HydrophobicContact CG2-CD1 3.74Å; I229-I233 HydrophobicContact CG2-CG1 4.43Å; I229-I233 WeakPolarHBondContact O-CG1 3.37Å; I229-I233 PolarHBondContact O-N 2.82Å; I229-W308 HydrophobicContact CG2-CZ2 4.11Å
230	P	97.7	Very high	97.4	Very high	2 Å²	2	41 Å²	41	1%	0.013	22%	0.216	C	C	.	.	H	α-helix	trans	-61.1	-40.2	177.7	23.6	-34.8	0	0	0	112	G227 L232 I233 G234 F282 T285 W308	G227-P230 WeakPolarHBondContact O-CD 3.49Å; G227-P230 WeakPolarHBondContact O-CG 3.26Å; P230-L232 PolarHBondContact O-N 2.81Å; P230-I233 PolarHBondContact O-N 3.23Å; P230-G234 PolarHBondContact O-N 2.87Å; P230-F282 WeakPolarHBondContact O-CB 3.4Å; P230-T285 HydrophobicContact CB-CG2 4.03Å; P230-T285 HydrophobicContact CG-CG2 4.21Å; P230-W308 HydrophobicContact CB-CD2 4.17Å; P230-W308 HydrophobicContact CB-CE3 3.8Å; P230-W308 HydrophobicContact CB-CZ3 4.3Å; P230-W308 HydrophobicContact CG-CB 4Å; P230-W308 HydrophobicContact CG-CD2 4.32Å; P230-W308 HydrophobicContact CG-CE3 4.38Å; P230-W308 HydrophobicContact CG-CG 4.18Å
231	R	97.1	Very high	97.5	Very high	23 Å²	23	41.1 Å²	41.1	9%	0.087	22%	0.215	C	C	.	.	H	α-helix	trans	-59	-48.2	175.8	-178.1	178.5	173.3	-118.5	-5.1	111.4	V181 S184 H185 G227 F228 I229 G234 E235	V181-R231 HydrophobicContact CG1-CG 4.31Å; V181-R231 PolarHBondContact O-NH1 3.36Å; V181-R231 VanDerWaalsContact O-NH1 3.12Å; S184-R231 PolarHBondContact OG-NH1 2.96Å; S184-R231 PolarHBondContact OG-NH2 2.98Å; S184-R231 VanDerWaalsContact OG-NH2 3.15Å; H185-R231 WeakPolarHBondContact ND1-CD 3.3Å; H185-R231 PolarHBondContact ND1-NH1 3.39Å; G227-R231 PolarHBondContact O-N 3.15Å; F228-R231 PolarHBondContact O-N 2.65Å; I229-R231 VanDerWaalsContact C-N 3.32Å; I229-R231 PolarHBondContact O-N 3.49Å; R231-G234 PolarHBondContact O-N 3Å; R231-E235 VanDerWaalsContact O-CG 3.3Å; R231-E235 WeakPolarHBondContact O-CG 3.44Å; R231-E235 PolarHBondContact O-N 3.04Å
232	L	98.3	Very high	97.5	Very high	25 Å²	25	36 Å²	36	13%	0.131	19%	0.188	C	C	.	.	H	α-helix	trans	-62.3	-46.9	179.7	-179.6	67	0	0	0	111.8	F178 V181 F228 I229 P230 G234 E235 I236	F178-L232 HydrophobicContact CD2-CD1 3.84Å; F178-L232 HydrophobicContact CD2-CD2 3.89Å; F178-L232 HydrophobicContact CE2-CD2 3.9Å; V181-L232 HydrophobicContact CB-CD1 4.17Å; V181-L232 HydrophobicContact CG1-CB 4.36Å; V181-L232 HydrophobicContact CG1-CD1 4.1Å; F228-L232 HydrophobicContact CE1-CD2 3.86Å; F228-L232 HydrophobicContact CE2-CB 4.41Å; F228-L232 HydrophobicContact CZ-CB 4.29Å; F228-L232 HydrophobicContact CZ-CD1 4.46Å; F228-L232 HydrophobicContact CZ-CD2 3.76Å; F228-L232 HydrophobicContact CZ-CG 4.39Å; F228-L232 WeakPolarHBondContact O-CB 3.34Å; F228-L232 PolarHBondContact O-N 3.24Å; I229-L232 PolarHBondContact O-N 3.46Å; P230-L232 PolarHBondContact O-N 2.81Å; L232-G234 VanDerWaalsContact C-N 3.33Å; L232-G234 PolarHBondContact O-N 3.26Å; L232-E235 PolarHBondContact O-N 3.3Å; L232-I236 HydrophobicContact CD1-CD1 4.48Å; L232-I236 HydrophobicContact CD1-CG1 3.98Å; L232-I236 HydrophobicContact CG-CG1 4.29Å; L232-I236 WeakPolarHBondContact O-CB 3.39Å; L232-I236 VanDerWaalsContact O-CG1 3.28Å; L232-I236 WeakPolarHBondContact O-CG1 3.42Å; L232-I236 PolarHBondContact O-N 3.48Å
233	I	98.1	Very high	97.4	Very high	58 Å²	58	31 Å²	31	30%	0.297	16%	0.16	S	C	.	.	H	α-helix	trans	-57.9	-47.5	177.8	-70.1	170.4	0	0	0	110.2	I229 P230 E235 I236 I237 F282 W308	I229-I233 HydrophobicContact CG2-CD1 3.74Å; I229-I233 HydrophobicContact CG2-CG1 4.43Å; I229-I233 WeakPolarHBondContact O-CG1 3.37Å; I229-I233 PolarHBondContact O-N 2.82Å; P230-I233 PolarHBondContact O-N 3.23Å; I233-E235 PolarHBondContact O-N 3.1Å; I233-I236 PolarHBondContact O-N 3.24Å; I233-I237 HydrophobicContact CG2-CD1 3.52Å; I233-I237 HydrophobicContact CG2-CG1 4.25Å; I233-I237 WeakPolarHBondContact O-CB 3.46Å; I233-I237 VanDerWaalsContact O-CG1 3.25Å; I233-I237 WeakPolarHBondContact O-CG1 3.28Å; I233-I237 PolarHBondContact O-N 2.84Å; I233-F282 HydrophobicContact CB-CD1 4.39Å; I233-F282 HydrophobicContact CG2-CD1 3.97Å; I233-F282 HydrophobicContact CG2-CE1 3.7Å; I233-F282 HydrophobicContact CG2-CZ 4.08Å; I233-W308 HydrophobicContact CD1-CH2 3.92Å; I233-W308 HydrophobicContact CD1-CZ2 3.93Å
234	G	97.5	Very high	97.3	Very high	6 Å²	6	33.9 Å²	33.9	6%	0.062	18%	0.179	C	C	.	.	H	α-helix	trans	-58.7	-46.4	178.6	0	0	0	0	0	113	P230 R231 L232 L238	P230-G234 PolarHBondContact O-N 2.87Å; R231-G234 PolarHBondContact O-N 3Å; L232-G234 VanDerWaalsContact C-N 3.33Å; L232-G234 PolarHBondContact O-N 3.26Å; G234-L238 VanDerWaalsContact O-CB 3.22Å; G234-L238 WeakPolarHBondContact O-CB 3.24Å; G234-L238 PolarHBondContact O-N 2.71Å
235	E	97.3	Very high	97.1	Very high	48 Å²	48	34.2 Å²	34.2	22%	0.224	19%	0.185	C	C	.	.	H	α-helix	trans	-65.6	-41.7	179.2	-72.1	-71.1	160.9	0	0	112.6	K177 V181 R231 L232 I233 T239	K177-E235 HydrophobicContact CD-CB 4.26Å; K177-E235 HydrophobicContact CG-CB 4.38Å; K177-E235 IonicContact NZ-OE2 2.68Å; V181-E235 HydrophobicContact CG2-CB 4.07Å; V181-E235 HydrophobicContact CG2-CG 3.9Å; R231-E235 VanDerWaalsContact O-CG 3.3Å; R231-E235 WeakPolarHBondContact O-CG 3.44Å; R231-E235 PolarHBondContact O-N 3.04Å; L232-E235 PolarHBondContact O-N 3.3Å; I233-E235 PolarHBondContact O-N 3.1Å; E235-T239 VanDerWaalsContact O-CB 3.27Å; E235-T239 WeakPolarHBondContact O-CB 3.25Å; E235-T239 PolarHBondContact O-N 3.45Å; E235-T239 PolarHBondContact O-OG1 2.97Å
236	I	98.2	Very high	96.8	Very high	47 Å²	47	30.7 Å²	30.7	24%	0.241	17%	0.169	C	C	.	.	H	α-helix	trans	-70.4	-42.8	178.6	-66.1	-64.1	0	0	0	111	L174 K177 L232 I233 T239 S240	L174-I236 HydrophobicContact CD2-CD1 4.16Å; L174-I236 HydrophobicContact CD2-CG2 4.35Å; K177-I236 HydrophobicContact CB-CD1 4.45Å; K177-I236 HydrophobicContact CG-CD1 4.23Å; L232-I236 HydrophobicContact CD1-CD1 4.48Å; L232-I236 HydrophobicContact CD1-CG1 3.98Å; L232-I236 HydrophobicContact CG-CG1 4.29Å; L232-I236 WeakPolarHBondContact O-CB 3.39Å; L232-I236 VanDerWaalsContact O-CG1 3.28Å; L232-I236 WeakPolarHBondContact O-CG1 3.42Å; L232-I236 PolarHBondContact O-N 3.48Å; I233-I236 PolarHBondContact O-N 3.24Å; I236-T239 PolarHBondContact O-N 2.94Å; I236-S240 WeakPolarHBondContact O-CB 3.16Å; I236-S240 PolarHBondContact O-N 3.22Å; I236-S240 PolarHBondContact O-OG 3.45Å
237	I	98.2	Very high	96.4	Very high	70 Å²	70	30.5 Å²	30.5	36%	0.359	17%	0.167	S	C	.	.	H	α-helix	trans	-62.2	-45.8	174.7	-68.7	173.4	0	0	0	110.1	I233 T239 S240 A241 T279 F282	I233-I237 HydrophobicContact CG2-CD1 3.52Å; I233-I237 HydrophobicContact CG2-CG1 4.25Å; I233-I237 WeakPolarHBondContact O-CB 3.46Å; I233-I237 VanDerWaalsContact O-CG1 3.25Å; I233-I237 WeakPolarHBondContact O-CG1 3.28Å; I233-I237 PolarHBondContact O-N 2.84Å; I237-T239 PolarHBondContact O-N 3.37Å; I237-S240 WeakPolarHBondContact CA-OG 3.38Å; I237-S240 PolarHBondContact O-N 3.35Å; I237-S240 PolarHBondContact O-OG 3.41Å; I237-A241 WeakPolarHBondContact O-CB 3.22Å; I237-A241 PolarHBondContact O-N 3.19Å; I237-T279 HydrophobicContact CB-CG2 4.23Å; I237-T279 HydrophobicContact CG2-CG2 3.75Å; I237-F282 HydrophobicContact CD1-CE2 4.17Å; I237-F282 HydrophobicContact CD1-CZ 4.29Å
238	L	97.9	Very high	96.2	Very high	7 Å²	7	34.9 Å²	34.9	4%	0.037	19%	0.188	C	C	.	.	H	α-helix	trans	-59.4	-50.4	178.8	177.9	56.8	0	0	0	111.1	G234 Y242 Y272 L275 H276 T279	G234-L238 VanDerWaalsContact O-CB 3.22Å; G234-L238 WeakPolarHBondContact O-CB 3.24Å; G234-L238 PolarHBondContact O-N 2.71Å; L238-Y242 WeakPolarHBondContact O-CB 3.39Å; L238-Y242 PolarHBondContact O-N 2.86Å; L238-Y272 HydrophobicContact CD1-CD2 4.45Å; L238-Y272 HydrophobicContact CD1-CE2 4.26Å; L238-Y272 HydrophobicContact CD2-CE2 4.01Å; L238-Y272 HydrophobicContact CG-CE2 4.21Å; L238-L275 HydrophobicContact CD1-CB 3.7Å; L238-H276 HydrophobicContact CD1-CB 4.33Å; L238-T279 HydrophobicContact CB-CG2 3.99Å
239	T	96.2	Very high	95.7	Very high	15 Å²	15	34.8 Å²	34.8	9%	0.092	19%	0.19	C	C	.	.	H	α-helix	trans	-64.1	-46.5	-178.2	-56.4	0	0	0	0	111.1	I173 L174 E235 I236 I237 Y242 Y243	I173-T239 HydrophobicContact CG2-CG2 3.72Å; L174-T239 HydrophobicContact CD2-CG2 4.02Å; E235-T239 VanDerWaalsContact O-CB 3.27Å; E235-T239 WeakPolarHBondContact O-CB 3.25Å; E235-T239 PolarHBondContact O-N 3.45Å; E235-T239 PolarHBondContact O-OG1 2.97Å; I236-T239 PolarHBondContact O-N 2.94Å; I237-T239 PolarHBondContact O-N 3.37Å; T239-Y242 PolarHBondContact O-N 2.94Å; T239-Y243 HydrophobicContact CG2-CD2 3.88Å; T239-Y243 HydrophobicContact CG2-CE2 3.73Å; T239-Y243 WeakPolarHBondContact O-CD2 3.14Å; T239-Y243 PolarHBondContact O-N 2.71Å
240	S	97.1	Very high	95	Very high	31 Å²	31	33.1 Å²	33.1	22%	0.217	18%	0.178	C	C	.	.	H	α-helix	trans	-63.9	-51.6	180	57	0	0	0	0	112.1	I236 I237 Y242 Y243 C244	I236-S240 WeakPolarHBondContact O-CB 3.16Å; I236-S240 PolarHBondContact O-N 3.22Å; I236-S240 PolarHBondContact O-OG 3.45Å; I237-S240 WeakPolarHBondContact CA-OG 3.38Å; I237-S240 PolarHBondContact O-N 3.35Å; I237-S240 PolarHBondContact O-OG 3.41Å; S240-Y242 VanDerWaalsContact C-N 3.28Å; S240-Y242 PolarHBondContact O-N 3.06Å; S240-Y243 PolarHBondContact O-N 3.01Å; S240-C244 WeakPolarHBondContact O-CB 3.27Å; S240-C244 PolarHBondContact O-N 2.82Å; S240-C244 VanDerWaalsContact O-N 3.07Å; S240-C244 PolarHBondContact O-SG 3.22Å
241	A	97.5	Very high	94.4	Very high	27 Å²	27	38 Å²	38	22%	0.223	20%	0.203	C	C	.	.	H	α-helix	trans	-61.3	-37.9	179.3	0	0	0	0	0	111.4	I237 S245 L275	I237-A241 WeakPolarHBondContact O-CB 3.22Å; I237-A241 PolarHBondContact O-N 3.19Å; A241-S245 WeakPolarHBondContact O-CB 3.45Å; A241-S245 PolarHBondContact O-N 3.4Å; A241-S245 PolarHBondContact O-OG 3.49Å; A241-L275 HydrophobicContact CB-CD1 4.16Å; A241-L275 HydrophobicContact CB-CD2 3.77Å
242	Y	96.8	Very high	93.8	Very high	16 Å²	16	43 Å²	43	6%	0.063	23%	0.232	C	C	.	.	H	α-helix	trans	-61.8	-56.4	179.1	174.6	-111.9	0	0	0	112.1	E155 L238 T239 S240 C244 S245 C246 Y272 L275	E155-Y242 HydrophobicContact CG-CE1 3.84Å; E155-Y242 WeakPolarHBondContact CG-OH 3.27Å; E155-Y242 PolarHBondContact OE1-OH 3.28Å; E155-Y242 VanDerWaalsContact OE1-OH 3.1Å; L238-Y242 WeakPolarHBondContact O-CB 3.39Å; L238-Y242 PolarHBondContact O-N 2.86Å; T239-Y242 PolarHBondContact O-N 2.94Å; S240-Y242 VanDerWaalsContact C-N 3.28Å; S240-Y242 PolarHBondContact O-N 3.06Å; Y242-C244 PolarHBondContact O-N 3.38Å; Y242-S245 PolarHBondContact O-N 2.94Å; Y242-C246 VanDerWaalsContact CE2-SG 3.54Å; Y242-C246 WeakPolarHBondContact O-CB 3.29Å; Y242-C246 PolarHBondContact O-N 3.22Å; Y242-C246 PolarHBondContact O-SG 3.35Å; Y242-Y272 HydrophobicContact CD2-CD2 4.18Å; Y242-Y272 HydrophobicContact CE2-CD2 4.37Å; Y242-Y272 HydrophobicContact CG-CD2 4.43Å; Y242-L275 HydrophobicContact CD2-CD1 4.41Å
243	Y	94.6	Very high	92.8	Very high	23 Å²	23	46.8 Å²	46.8	9%	0.09	25%	0.251	C	S	.	.	H	α-helix	trans	-66.7	-36.9	-177.6	-73.1	-62.9	0	0	0	112.9	E155 L158 I173 T239 S240 R247	E155-Y243 HydrophobicContact CG-CE1 4.12Å; L158-Y243 HydrophobicContact CD2-CD1 3.4Å; L158-Y243 VanDerWaalsContact CD2-CD1 3.4Å; L158-Y243 HydrophobicContact CD2-CD2 4.49Å; L158-Y243 HydrophobicContact CD2-CE1 4.11Å; L158-Y243 HydrophobicContact CD2-CG 3.62Å; I173-Y243 HydrophobicContact CD1-CD2 4.46Å; I173-Y243 HydrophobicContact CD1-CE1 4.46Å; I173-Y243 HydrophobicContact CD1-CE2 4.11Å; I173-Y243 HydrophobicContact CG2-CD2 4.14Å; I173-Y243 HydrophobicContact CG2-CE2 3.61Å; T239-Y243 HydrophobicContact CG2-CD2 3.88Å; T239-Y243 HydrophobicContact CG2-CE2 3.73Å; T239-Y243 WeakPolarHBondContact O-CD2 3.14Å; T239-Y243 PolarHBondContact O-N 2.71Å; S240-Y243 PolarHBondContact O-N 3.01Å; Y243-R247 PolarHBondContact O-N 3.48Å; Y243-R247 VanDerWaalsContact O-N 3.12Å
244	C	94.7	Very high	91.4	Very high	60 Å²	60	46.1 Å²	46.1	41%	0.405	25%	0.246	S	C	.	.	H	α-helix	trans	-63.5	-43.9	173	-70.4	0	0	0	0	111.8	S240 Y242 R247 L248	S240-C244 WeakPolarHBondContact O-CB 3.27Å; S240-C244 PolarHBondContact O-N 2.82Å; S240-C244 VanDerWaalsContact O-N 3.07Å; S240-C244 PolarHBondContact O-SG 3.22Å; Y242-C244 PolarHBondContact O-N 3.38Å; C244-R247 PolarHBondContact O-N 3.22Å; C244-L248 WeakPolarHBondContact O-CB 3.47Å; C244-L248 PolarHBondContact O-N 2.86Å
245	S	93.5	Very high	89.7	Confident	32 Å²	32	48.6 Å²	48.6	22%	0.224	27%	0.272	C	S	.	.	H	α-helix	trans	-66	-44.5	178.9	-60	0	0	0	0	111.7	A241 Y242 R247 L248 V249	A241-S245 WeakPolarHBondContact O-CB 3.45Å; A241-S245 PolarHBondContact O-N 3.4Å; A241-S245 PolarHBondContact O-OG 3.49Å; Y242-S245 PolarHBondContact O-N 2.94Å; S245-R247 VanDerWaalsContact C-N 3.31Å; S245-R247 PolarHBondContact O-N 3.07Å; S245-L248 PolarHBondContact O-N 3.43Å; S245-V249 VanDerWaalsContact O-CB 3.26Å; S245-V249 WeakPolarHBondContact O-CB 3.21Å; S245-V249 VanDerWaalsContact O-CG2 3.27Å; S245-V249 WeakPolarHBondContact O-CG2 3.36Å; S245-V249 PolarHBondContact O-N 3.09Å
246	C	90.6	Very high	87.4	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.007	31%	0.307	C	S	.	.	H	α-helix	trans	-57.2	-44.2	176.2	-74.2	0	0	0	0	111.8	E159 Y242 R250	E159-C246 HydrophobicContact CG-CB 3.96Å; E159-C246 WeakPolarHBondContact OE1-CB 3.15Å; Y242-C246 VanDerWaalsContact CE2-SG 3.54Å; Y242-C246 WeakPolarHBondContact O-CB 3.29Å; Y242-C246 PolarHBondContact O-N 3.22Å; Y242-C246 PolarHBondContact O-SG 3.35Å; C246-R250 PolarHBondContact O-N 3.43Å
247	R	90.8	Very high	85.3	Confident	37 Å²	37	55 Å²	55	14%	0.14	32%	0.317	C	S	.	.	H	α-helix	trans	-63.8	-48.6	175.3	-178.9	178.4	176.4	79.5	4.3	111.6	E159 S161 L163 F166 Y243 C244 S245 V249 R250 L251	E159-R247 PolarHBondContact O-NH1 3.39Å; S161-R247 PolarHBondContact O-NH1 2.95Å; L163-R247 VanDerWaalsContact CD2-NH2 3.27Å; F166-R247 HydrophobicContact CE2-CB 4.21Å; Y243-R247 PolarHBondContact O-N 3.48Å; Y243-R247 VanDerWaalsContact O-N 3.12Å; C244-R247 PolarHBondContact O-N 3.22Å; S245-R247 VanDerWaalsContact C-N 3.31Å; S245-R247 PolarHBondContact O-N 3.07Å; R247-V249 PolarHBondContact O-N 3.37Å; R247-R250 PolarHBondContact O-N 3.46Å; R247-L251 HydrophobicContact CG-CD1 4.29Å; R247-L251 WeakPolarHBondContact O-CG 3.33Å; R247-L251 PolarHBondContact O-N 2.86Å; R247-L251 VanDerWaalsContact O-N 3.07Å
248	L	90.9	Very high	83.3	Confident	97 Å²	97	63.2 Å²	63.2	51%	0.508	34%	0.343	S	S	.	.	H	α-helix	trans	-59.6	-47.7	-179.8	178.4	62.1	0	0	0	111.4	C244 S245 R250 L251 L252	C244-L248 WeakPolarHBondContact O-CB 3.47Å; C244-L248 PolarHBondContact O-N 2.86Å; S245-L248 PolarHBondContact O-N 3.43Å; L248-R250 VanDerWaalsContact C-N 3.32Å; L248-R250 PolarHBondContact O-N 3.5Å; L248-L251 WeakPolarHBondContact O-CB 3.39Å; L248-L251 PolarHBondContact O-N 2.9Å; L248-L251 VanDerWaalsContact O-N 3.08Å; L248-L252 HydrophobicContact CD1-CD1 4.07Å; L248-L252 HydrophobicContact CD1-CG 4.13Å; L248-L252 HydrophobicContact CG-CD1 3.89Å; L248-L252 HydrophobicContact CG-CG 4.34Å; L248-L252 WeakPolarHBondContact O-CG 3.46Å; L248-L252 PolarHBondContact O-N 3.47Å
249	V	88.3	Confident	81.1	Confident	24 Å²	24	74.6 Å²	74.6	15%	0.145	39%	0.386	C	S	.	.	H	α-helix	trans	-60.3	-41.2	178.6	163.2	0	0	0	0	111.7	S245 R247 L251 L252 I253 M264 L267 L271	S245-V249 VanDerWaalsContact O-CB 3.26Å; S245-V249 WeakPolarHBondContact O-CB 3.21Å; S245-V249 VanDerWaalsContact O-CG2 3.27Å; S245-V249 WeakPolarHBondContact O-CG2 3.36Å; S245-V249 PolarHBondContact O-N 3.09Å; R247-V249 PolarHBondContact O-N 3.37Å; V249-L251 VanDerWaalsContact C-N 3.33Å; V249-L251 PolarHBondContact O-N 3.35Å; V249-L252 PolarHBondContact O-N 3.29Å; V249-I253 HydrophobicContact CG1-CD1 3.75Å; V249-I253 HydrophobicContact CG1-CG1 4.41Å; V249-I253 WeakPolarHBondContact O-CB 3.41Å; V249-I253 WeakPolarHBondContact O-CG1 3.22Å; V249-I253 PolarHBondContact O-N 3.33Å; V249-M264 HydrophobicContact CG1-SD 4.37Å; V249-L267 HydrophobicContact CG1-CD2 3.18Å; V249-L267 HydrophobicContact CG1-CG 3.9Å; V249-L271 HydrophobicContact CB-CD1 4.37Å; V249-L271 HydrophobicContact CG2-CD1 4.02Å; V249-L271 HydrophobicContact CG2-CD2 4.35Å
250	R	83.8	Confident	79.5	Confident	46 Å²	46	75 Å²	75	17%	0.174	39%	0.389	C	S	.	.	H	α-helix	trans	-59.8	-45.1	173.1	179.5	171.9	-66.9	-109.6	-1.7	111.6	E159 E160 C246 R247 L248 L252 F254 M264	E159-R250 HydrophobicContact CB-CB 4.43Å; E159-R250 VanDerWaalsContact CB-NE 3.34Å; E159-R250 IonicContact OE2-CZ 3.95Å; E159-R250 IonicContact OE2-NE 2.57Å; E159-R250 PolarHBondContact OE2-NE 3.01Å; E159-R250 IonicContact OE2-NH2 3.75Å; E159-R250 PolarHBondContact OE2-NH2 2.92Å; E160-R250 IonicContact OE1-CZ 3.51Å; E160-R250 IonicContact OE1-NH1 3.23Å; E160-R250 PolarHBondContact OE1-NH1 2.97Å; E160-R250 IonicContact OE1-NH2 2.73Å; C246-R250 PolarHBondContact O-N 3.43Å; R247-R250 PolarHBondContact O-N 3.46Å; L248-R250 VanDerWaalsContact C-N 3.32Å; L248-R250 PolarHBondContact O-N 3.5Å; R250-L252 VanDerWaalsContact C-N 3.34Å; R250-F254 HydrophobicContact CG-CB 4.34Å; R250-F254 WeakPolarHBondContact O-CA 3.5Å; R250-F254 WeakPolarHBondContact O-CB 3.2Å; R250-F254 PolarHBondContact O-N 2.87Å; R250-M264 HydrophobicContact CB-CE 3.76Å; R250-M264 HydrophobicContact CG-CE 4.31Å
251	L	85.2	Confident	78	Confident	104 Å²	104	76.7 Å²	76.7	55%	0.545	40%	0.398	S	S	.	.	H	α-helix	trans	-63.3	-41.2	179.5	-66.8	171.5	0	0	0	111.7	R247 L248 V249	R247-L251 HydrophobicContact CG-CD1 4.29Å; R247-L251 WeakPolarHBondContact O-CG 3.33Å; R247-L251 PolarHBondContact O-N 2.86Å; R247-L251 VanDerWaalsContact O-N 3.07Å; L248-L251 WeakPolarHBondContact O-CB 3.39Å; L248-L251 PolarHBondContact O-N 2.9Å; L248-L251 VanDerWaalsContact O-N 3.08Å; V249-L251 VanDerWaalsContact C-N 3.33Å; V249-L251 PolarHBondContact O-N 3.35Å
252	L	84.9	Confident	76.8	Confident	130 Å²	130	82.1 Å²	82.1	68%	0.681	42%	0.419	S	S	*	.	H	α-helix	trans	-72.6	-42.4	-178.4	-66.9	175.8	0	0	0	113.1	L248 V249 R250	L248-L252 HydrophobicContact CD1-CD1 4.07Å; L248-L252 HydrophobicContact CD1-CG 4.13Å; L248-L252 HydrophobicContact CG-CD1 3.89Å; L248-L252 HydrophobicContact CG-CG 4.34Å; L248-L252 WeakPolarHBondContact O-CG 3.46Å; L248-L252 PolarHBondContact O-N 3.47Å; V249-L252 PolarHBondContact O-N 3.29Å; R250-L252 VanDerWaalsContact C-N 3.34Å
253	I	77.4	Confident	75.9	Confident	103 Å²	103	86.2 Å²	86.2	53%	0.528	44%	0.442	S	S	.	.	H	α-helix	trans	-91.8	-38.9	-173	-58.7	-179.8	0	0	0	112	V249 L267	V249-I253 HydrophobicContact CG1-CD1 3.75Å; V249-I253 HydrophobicContact CG1-CG1 4.41Å; V249-I253 WeakPolarHBondContact O-CB 3.41Å; V249-I253 WeakPolarHBondContact O-CG1 3.22Å; V249-I253 PolarHBondContact O-N 3.33Å; I253-L267 HydrophobicContact CD1-CD2 3.53Å
254	F	67.9	Low	75.3	Confident	44 Å²	44	85.3 Å²	85.3	19%	0.193	44%	0.439	C	S	.	.	H	α-helix	trans	-110.6	17.2	-169	-67.9	-83.4	0	0	0	114	R250 L256 G257 M264	R250-F254 HydrophobicContact CG-CB 4.34Å; R250-F254 WeakPolarHBondContact O-CA 3.5Å; R250-F254 WeakPolarHBondContact O-CB 3.2Å; R250-F254 PolarHBondContact O-N 2.87Å; F254-L256 PolarHBondContact O-N 3.46Å; F254-G257 WeakPolarHBondContact CD1-O 3.33Å; F254-G257 PolarHBondContact O-N 2.88Å; F254-M264 HydrophobicContact CD2-CE 4.23Å; F254-M264 HydrophobicContact CD2-CG 3.87Å; F254-M264 HydrophobicContact CD2-SD 3.6Å; F254-M264 HydrophobicContact CE2-CE 4.34Å; F254-M264 HydrophobicContact CE2-CG 3.22Å; F254-M264 HydrophobicContact CE2-SD 3.16Å; F254-M264 WeakPolarHBondContact CE2-SD 3.13Å; F254-M264 HydrophobicContact CZ-CG 3.59Å; F254-M264 HydrophobicContact CZ-SD 4.12Å
255	G	61	Low	74.8	Confident	59 Å²	59	83.3 Å²	83.3	61%	0.608	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.1	-15.8	179	0	0	0	0	0	115.5
256	L	50.6	Low	74.6	Confident	185 Å²	185	86.9 Å²	86.9	97%	0.969	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.1	6.2	-177.5	-75.3	157.7	0	0	0	116	F254	F254-L256 PolarHBondContact O-N 3.46Å
257	G	52.7	Low	74.5	Confident	43 Å²	43	89 Å²	89	44%	0.443	45%	0.45	S	S	.	.			trans	-143.9	136.5	-167.7	0	0	0	0	0	116.8	F254	F254-G257 WeakPolarHBondContact CD1-O 3.33Å; F254-G257 PolarHBondContact O-N 2.88Å
258	R	56.8	Low	74.5	Confident	244 Å²	244	87.3 Å²	87.3	92%	0.921	44%	0.444	S	S	*	.			trans	-88.2	2.6	-178.6	-155.5	171.1	-174	154.8	1.3	114.7
259	R	52.2	Low	74.5	Confident	246 Å²	246	86.5 Å²	86.5	93%	0.928	44%	0.443	S	S	*	.			trans	-100.6	7.3	-148.7	-139.5	178.7	-173.1	165.8	2	118.3
260	S	61.8	Low	74.8	Confident	24 Å²	24	90 Å²	90	17%	0.168	46%	0.46	C	S	.	.			trans	-147.1	79.7	173.6	-168.4	0	0	0	0	114.9	E262 N263 M264	S260-E262 PolarHBondContact O-N 2.96Å; S260-N263 WeakPolarHBondContact OG-CB 3.27Å; S260-N263 PolarHBondContact OG-N 3.1Å; S260-N263 PolarHBondContact OG-ND2 3.45Å; S260-N263 PolarHBondContact OG-OD1 3.45Å; S260-M264 PolarHBondContact O-N 3.1Å
261	T	65.5	Low	75.3	Confident	66 Å²	66	89.3 Å²	89.3	41%	0.405	46%	0.46	S	S	.	.	H	α-helix	trans	-62.2	-31.6	166.9	44.8	0	0	0	0	112.2	N265	T261-N265 PolarHBondContact O-N 3.19Å
262	E	71.9	Confident	75.8	Confident	140 Å²	140	89.7 Å²	89.7	65%	0.654	46%	0.455	S	S	*	.	H	α-helix	trans	-73.3	-47.3	-177.7	-68.5	176.5	-175.5	0	0	112.4	S260 M264 N265 I266	S260-E262 PolarHBondContact O-N 2.96Å; E262-M264 PolarHBondContact O-N 2.95Å; E262-N265 WeakPolarHBondContact O-CB 3.41Å; E262-N265 PolarHBondContact O-N 3.26Å; E262-I266 PolarHBondContact O-N 3Å
263	N	79	Confident	76.4	Confident	102 Å²	102	89.3 Å²	89.3	55%	0.545	45%	0.445	S	S	.	.	H	α-helix	trans	-62.4	-33	177.4	-61.5	-10.8	0	0	0	110.8	S260 I266 L267	S260-N263 WeakPolarHBondContact OG-CB 3.27Å; S260-N263 PolarHBondContact OG-N 3.1Å; S260-N263 PolarHBondContact OG-ND2 3.45Å; S260-N263 PolarHBondContact OG-OD1 3.45Å; N263-I266 PolarHBondContact O-N 3.28Å; N263-L267 VanDerWaalsContact O-CB 3.29Å; N263-L267 WeakPolarHBondContact O-CB 3.44Å; N263-L267 PolarHBondContact O-N 3.24Å
264	M	80.7	Confident	77.3	Confident	5 Å²	5	87.5 Å²	87.5	3%	0.025	44%	0.439	C	S	.	.	H	α-helix	trans	-64.9	-37.8	174.3	-80.2	-64	-85.9	0	0	113.1	E159 V249 R250 F254 S260 E262 L267 R268	E159-M264 WeakPolarHBondContact OE2-CE 3.33Å; V249-M264 HydrophobicContact CG1-SD 4.37Å; R250-M264 HydrophobicContact CB-CE 3.76Å; R250-M264 HydrophobicContact CG-CE 4.31Å; F254-M264 HydrophobicContact CD2-CE 4.23Å; F254-M264 HydrophobicContact CD2-CG 3.87Å; F254-M264 HydrophobicContact CD2-SD 3.6Å; F254-M264 HydrophobicContact CE2-CE 4.34Å; F254-M264 HydrophobicContact CE2-CG 3.22Å; F254-M264 HydrophobicContact CE2-SD 3.16Å; F254-M264 WeakPolarHBondContact CE2-SD 3.13Å; F254-M264 HydrophobicContact CZ-CG 3.59Å; F254-M264 HydrophobicContact CZ-SD 4.12Å; S260-M264 PolarHBondContact O-N 3.1Å; E262-M264 PolarHBondContact O-N 2.95Å; M264-L267 PolarHBondContact O-N 3.41Å; M264-L267 HydrophobicContact SD-CD2 4.29Å; M264-R268 VanDerWaalsContact O-CG 3.23Å; M264-R268 WeakPolarHBondContact O-CG 3.26Å; M264-R268 PolarHBondContact O-N 2.82Å
265	N	85.5	Confident	78.7	Confident	17 Å²	17	86.7 Å²	86.7	9%	0.091	44%	0.437	C	S	.	.	H	α-helix	trans	-65.3	-45.6	176.4	-69.9	-18.9	0	0	0	111.4	N149 F152 T261 E262 L267 R268 V269	N149-N265 PolarHBondContact ND2-ND2 3.09Å; N149-N265 PolarHBondContact OD1-ND2 3.37Å; F152-N265 HydrophobicContact CD2-CB 3.99Å; F152-N265 WeakPolarHBondContact CD2-OD1 3.21Å; F152-N265 HydrophobicContact CE2-CB 4.06Å; T261-N265 PolarHBondContact O-N 3.19Å; E262-N265 WeakPolarHBondContact O-CB 3.41Å; E262-N265 PolarHBondContact O-N 3.26Å; N265-L267 VanDerWaalsContact C-N 3.27Å; N265-L267 PolarHBondContact O-N 3.44Å; N265-R268 WeakPolarHBondContact O-CB 3.36Å; N265-R268 PolarHBondContact O-N 3.48Å; N265-R268 PolarHBondContact OD1-NH1 2.81Å; N265-V269 WeakPolarHBondContact O-CG2 3.43Å; N265-V269 PolarHBondContact O-N 3.36Å; N265-V269 VanDerWaalsContact O-N 3.1Å
266	I	88	Confident	80.3	Confident	107 Å²	107	86.1 Å²	86.1	55%	0.549	42%	0.418	S	S	.	.	H	α-helix	trans	-58.2	-45	175.2	-62.6	171.8	0	0	0	109.7	E262 N263 R268 V269 L270	E262-I266 PolarHBondContact O-N 3Å; N263-I266 PolarHBondContact O-N 3.28Å; I266-R268 PolarHBondContact O-N 3.03Å; I266-V269 PolarHBondContact O-N 3.03Å; I266-L270 HydrophobicContact CG2-CD1 4.04Å; I266-L270 HydrophobicContact CG2-CG 4.43Å; I266-L270 WeakPolarHBondContact O-CG 3.44Å; I266-L270 PolarHBondContact O-N 3.24Å
267	L	88.8	Confident	82.4	Confident	46 Å²	46	79.8 Å²	79.8	24%	0.241	39%	0.385	C	S	.	.	H	α-helix	trans	-64	-39.3	179.4	-172.5	51.4	0	0	0	112.7	V249 I253 N263 M264 N265 V269 L270 L271	V249-L267 HydrophobicContact CG1-CD2 3.18Å; V249-L267 HydrophobicContact CG1-CG 3.9Å; I253-L267 HydrophobicContact CD1-CD2 3.53Å; N263-L267 VanDerWaalsContact O-CB 3.29Å; N263-L267 WeakPolarHBondContact O-CB 3.44Å; N263-L267 PolarHBondContact O-N 3.24Å; M264-L267 PolarHBondContact O-N 3.41Å; M264-L267 HydrophobicContact SD-CD2 4.29Å; N265-L267 VanDerWaalsContact C-N 3.27Å; N265-L267 PolarHBondContact O-N 3.44Å; L267-V269 PolarHBondContact O-N 2.91Å; L267-L270 PolarHBondContact O-N 3.08Å; L267-L271 HydrophobicContact CD1-CG 4.33Å; L267-L271 HydrophobicContact CG-CD1 4.25Å; L267-L271 HydrophobicContact CG-CG 4.46Å; L267-L271 WeakPolarHBondContact O-CB 3.43Å; L267-L271 WeakPolarHBondContact O-CG 3.43Å; L267-L271 PolarHBondContact O-N 3.07Å
268	R	90.7	Very high	84.5	Confident	2 Å²	2	86.1 Å²	86.1	1%	0.008	40%	0.397	C	S	.	.	H	α-helix	trans	-59.5	-44.6	173.2	-73.7	164.7	-178.1	178.5	-9.2	111.9	F152 R156 E159 M264 N265 I266 L271 Y272	F152-R268 HydrophobicContact CD1-CB 4.29Å; F152-R268 HydrophobicContact CE1-CB 4.28Å; F152-R268 PolarHBondContact O-NH1 2.94Å; R156-R268 VanDerWaalsContact N-NH2 3.14Å; E159-R268 IonicContact OE1-CZ 3.72Å; E159-R268 IonicContact OE1-NE 3.94Å; E159-R268 PolarHBondContact OE1-NE 2.99Å; E159-R268 IonicContact OE1-NH2 2.79Å; E159-R268 PolarHBondContact OE1-NH2 3.33Å; E159-R268 IonicContact OE2-CZ 3.79Å; E159-R268 IonicContact OE2-NE 3.29Å; E159-R268 IonicContact OE2-NH2 2.81Å; E159-R268 PolarHBondContact OE2-NH2 2.95Å; M264-R268 VanDerWaalsContact O-CG 3.23Å; M264-R268 WeakPolarHBondContact O-CG 3.26Å; M264-R268 PolarHBondContact O-N 2.82Å; N265-R268 WeakPolarHBondContact O-CB 3.36Å; N265-R268 PolarHBondContact O-N 3.48Å; N265-R268 PolarHBondContact OD1-NH1 2.81Å; I266-R268 PolarHBondContact O-N 3.03Å; R268-L271 PolarHBondContact O-N 3.29Å; R268-Y272 WeakPolarHBondContact O-CB 3.43Å; R268-Y272 PolarHBondContact O-N 3.12Å
269	V	92.5	Very high	86.3	Confident	79 Å²	79	75 Å²	75	48%	0.479	36%	0.356	S	S	.	.	H	α-helix	trans	-62	-45.8	176.7	175.3	0	0	0	0	110.8	F152 N265 I266 L267 Y272 Y273	F152-V269 HydrophobicContact CE1-CG2 4.15Å; F152-V269 HydrophobicContact CE2-CG2 4.47Å; F152-V269 HydrophobicContact CZ-CG2 3.55Å; N265-V269 WeakPolarHBondContact O-CG2 3.43Å; N265-V269 PolarHBondContact O-N 3.36Å; N265-V269 VanDerWaalsContact O-N 3.1Å; I266-V269 PolarHBondContact O-N 3.03Å; L267-V269 PolarHBondContact O-N 2.91Å; V269-Y272 PolarHBondContact O-N 3.43Å; V269-Y273 WeakPolarHBondContact O-CB 3.34Å; V269-Y273 PolarHBondContact O-N 2.97Å
270	L	94.6	Very high	88.5	Confident	97 Å²	97	63.4 Å²	63.4	51%	0.508	31%	0.312	S	S	.	.	H	α-helix	trans	-64.7	-39.7	178	-67.8	175.1	0	0	0	112.6	I266 L267 Y273 T274	I266-L270 HydrophobicContact CG2-CD1 4.04Å; I266-L270 HydrophobicContact CG2-CG 4.43Å; I266-L270 WeakPolarHBondContact O-CG 3.44Å; I266-L270 PolarHBondContact O-N 3.24Å; L267-L270 PolarHBondContact O-N 3.08Å; L270-Y273 PolarHBondContact O-N 3.4Å; L270-T274 WeakPolarHBondContact O-CB 3.36Å; L270-T274 PolarHBondContact O-N 3.3Å; L270-T274 PolarHBondContact O-OG1 2.91Å
271	L	94.4	Very high	90.2	Very high	32 Å²	32	63.6 Å²	63.6	17%	0.168	31%	0.313	C	S	.	.	H	α-helix	trans	-62.5	-48.9	174.9	-75.8	170.4	0	0	0	110.8	V249 L267 R268 Y273 T274 L275	V249-L271 HydrophobicContact CB-CD1 4.37Å; V249-L271 HydrophobicContact CG2-CD1 4.02Å; V249-L271 HydrophobicContact CG2-CD2 4.35Å; L267-L271 HydrophobicContact CD1-CG 4.33Å; L267-L271 HydrophobicContact CG-CD1 4.25Å; L267-L271 HydrophobicContact CG-CG 4.46Å; L267-L271 WeakPolarHBondContact O-CB 3.43Å; L267-L271 WeakPolarHBondContact O-CG 3.43Å; L267-L271 PolarHBondContact O-N 3.07Å; R268-L271 PolarHBondContact O-N 3.29Å; L271-Y273 PolarHBondContact O-N 3.24Å; L271-T274 PolarHBondContact O-N 2.99Å; L271-L275 WeakPolarHBondContact O-CB 3.5Å; L271-L275 VanDerWaalsContact O-CG 3.24Å; L271-L275 WeakPolarHBondContact O-CG 3.16Å; L271-L275 PolarHBondContact O-N 3.48Å
272	Y	95.8	Very high	91.7	Very high	113 Å²	113	62.3 Å²	62.3	44%	0.443	30%	0.302	S	S	.	.	H	α-helix	trans	-59.2	-47.8	177.4	-177.7	-96.3	0	0	0	111.4	L238 Y242 R268 V269 T274 L275 H276	L238-Y272 HydrophobicContact CD1-CD2 4.45Å; L238-Y272 HydrophobicContact CD1-CE2 4.26Å; L238-Y272 HydrophobicContact CD2-CE2 4.01Å; L238-Y272 HydrophobicContact CG-CE2 4.21Å; Y242-Y272 HydrophobicContact CD2-CD2 4.18Å; Y242-Y272 HydrophobicContact CE2-CD2 4.37Å; Y242-Y272 HydrophobicContact CG-CD2 4.43Å; R268-Y272 WeakPolarHBondContact O-CB 3.43Å; R268-Y272 PolarHBondContact O-N 3.12Å; V269-Y272 PolarHBondContact O-N 3.43Å; Y272-T274 PolarHBondContact O-N 2.67Å; Y272-L275 PolarHBondContact O-N 3.38Å; Y272-H276 VanDerWaalsContact O-CB 3.28Å; Y272-H276 WeakPolarHBondContact O-CB 3.23Å; Y272-H276 PolarHBondContact O-N 2.72Å
273	Y	95.7	Very high	92.8	Very high	121 Å²	121	58.2 Å²	58.2	48%	0.475	28%	0.283	S	S	.	.	H	α-helix	trans	-57.5	-48.5	176.8	178.5	-100.7	0	0	0	111.6	V269 L270 L271 H276 N277 W325	V269-Y273 WeakPolarHBondContact O-CB 3.34Å; V269-Y273 PolarHBondContact O-N 2.97Å; L270-Y273 PolarHBondContact O-N 3.4Å; L271-Y273 PolarHBondContact O-N 3.24Å; Y273-H276 PolarHBondContact O-N 3.07Å; Y273-N277 WeakPolarHBondContact CD1-ND2 3.35Å; Y273-N277 VanDerWaalsContact CE1-ND2 3.25Å; Y273-N277 WeakPolarHBondContact CE1-ND2 3.39Å; Y273-N277 PolarHBondContact O-N 2.87Å; Y273-N277 PolarHBondContact O-ND2 3.31Å; Y273-W325 HydrophobicContact CE2-CZ2 4.03Å
274	T	96.3	Very high	93.7	Very high	66 Å²	66	53.4 Å²	53.4	41%	0.405	26%	0.257	S	S	.	.	H	α-helix	trans	-60.9	-48	179.9	-58.6	0	0	0	0	111.2	L270 L271 Y272 H276 N277 Y278	L270-T274 WeakPolarHBondContact O-CB 3.36Å; L270-T274 PolarHBondContact O-N 3.3Å; L270-T274 PolarHBondContact O-OG1 2.91Å; L271-T274 PolarHBondContact O-N 2.99Å; Y272-T274 PolarHBondContact O-N 2.67Å; T274-H276 VanDerWaalsContact C-N 3.32Å; T274-H276 PolarHBondContact O-N 3.43Å; T274-N277 WeakPolarHBondContact O-CB 3.33Å; T274-N277 PolarHBondContact O-N 3.25Å; T274-Y278 HydrophobicContact CG2-CD2 4.19Å; T274-Y278 HydrophobicContact CG2-CE2 3.76Å; T274-Y278 WeakPolarHBondContact O-CD2 3.47Å; T274-Y278 PolarHBondContact O-N 3.46Å
275	L	97.4	Very high	94.5	Very high	27 Å²	27	53.2 Å²	53.2	14%	0.141	26%	0.256	C	S	.	.	H	α-helix	trans	-64.6	-37.2	178.4	-68.8	170.2	0	0	0	112.3	L238 A241 Y242 L271 Y272 N277 Y278 T279	L238-L275 HydrophobicContact CD1-CB 3.7Å; A241-L275 HydrophobicContact CB-CD1 4.16Å; A241-L275 HydrophobicContact CB-CD2 3.77Å; Y242-L275 HydrophobicContact CD2-CD1 4.41Å; L271-L275 WeakPolarHBondContact O-CB 3.5Å; L271-L275 VanDerWaalsContact O-CG 3.24Å; L271-L275 WeakPolarHBondContact O-CG 3.16Å; L271-L275 PolarHBondContact O-N 3.48Å; Y272-L275 PolarHBondContact O-N 3.38Å; L275-N277 VanDerWaalsContact C-N 3.34Å; L275-N277 PolarHBondContact O-N 2.93Å; L275-Y278 WeakPolarHBondContact O-CB 3.46Å; L275-Y278 PolarHBondContact O-N 2.68Å; L275-Y278 VanDerWaalsContact O-N 3.11Å; L275-T279 PolarHBondContact O-N 3.37Å; L275-T279 PolarHBondContact O-OG1 2.89Å
276	H	96	Very high	95.1	Very high	46 Å²	46	52.4 Å²	52.4	21%	0.213	25%	0.252	C	S	.	.	H	α-helix	trans	-64.4	-37.5	175.9	-174.8	45.4	0	0	0	112.1	L238 Y272 Y273 T274 Y278 T279 Y280 E283 W325	L238-H276 HydrophobicContact CD1-CB 4.33Å; Y272-H276 VanDerWaalsContact O-CB 3.28Å; Y272-H276 WeakPolarHBondContact O-CB 3.23Å; Y272-H276 PolarHBondContact O-N 2.72Å; Y273-H276 PolarHBondContact O-N 3.07Å; T274-H276 VanDerWaalsContact C-N 3.32Å; T274-H276 PolarHBondContact O-N 3.43Å; H276-Y278 PolarHBondContact O-N 2.79Å; H276-T279 PolarHBondContact O-N 2.83Å; H276-Y280 WeakPolarHBondContact O-CB 3.5Å; H276-Y280 PolarHBondContact O-N 2.83Å; H276-E283 IonicContact CE1-OE2 2.83Å; H276-E283 PolarHBondContact CE1-OE2 2.89Å; H276-E283 VanDerWaalsContact CE1-OE2 3.29Å; H276-W325 HydrophobicContact CB-CH2 4.42Å; H276-W325 AromaticContact CD2-CH2 3.38Å; H276-W325 WeakPolarHBondContact CD2-CH2 3.26Å; H276-W325 AromaticContact CD2-CZ3 3.37Å; H276-W325 WeakPolarHBondContact CD2-CZ3 3.31Å; H276-W325 AromaticContact CG-CH2 4Å; H276-W325 AromaticContact NE2-CH2 3.99Å; H276-W325 AromaticContact NE2-CZ3 3.47Å; H276-W325 WeakPolarHBondContact NE2-CZ3 3.32Å
277	N	94.8	Very high	95.6	Very high	52 Å²	52	47.4 Å²	47.4	28%	0.278	23%	0.226	S	C	.	.	H	α-helix	trans	-57.1	-40.6	171.7	-77	-96.4	0	0	0	111.3	Y273 T274 L275 W325	Y273-N277 WeakPolarHBondContact CD1-ND2 3.35Å; Y273-N277 VanDerWaalsContact CE1-ND2 3.25Å; Y273-N277 WeakPolarHBondContact CE1-ND2 3.39Å; Y273-N277 PolarHBondContact O-N 2.87Å; Y273-N277 PolarHBondContact O-ND2 3.31Å; T274-N277 WeakPolarHBondContact O-CB 3.33Å; T274-N277 PolarHBondContact O-N 3.25Å; L275-N277 VanDerWaalsContact C-N 3.34Å; L275-N277 PolarHBondContact O-N 2.93Å; N277-W325 HydrophobicContact CB-CH2 4.42Å; N277-W325 HydrophobicContact CB-CZ2 4.09Å; N277-W325 WeakPolarHBondContact ND2-CZ2 3.45Å; N277-W325 WeakPolarHBondContact OD1-CZ2 3.47Å; N277-W325 PolarHBondContact OD1-NE1 3.34Å
278	Y	95	Very high	96	Very high	177 Å²	177	45.3 Å²	45.3	69%	0.694	22%	0.216	S	C	*	.	H	α-helix	trans	-72.5	-35.2	179.7	-74.8	-71.3	0	0	0	113.1	T274 L275 H276 P281	T274-Y278 HydrophobicContact CG2-CD2 4.19Å; T274-Y278 HydrophobicContact CG2-CE2 3.76Å; T274-Y278 WeakPolarHBondContact O-CD2 3.47Å; T274-Y278 PolarHBondContact O-N 3.46Å; L275-Y278 WeakPolarHBondContact O-CB 3.46Å; L275-Y278 PolarHBondContact O-N 2.68Å; L275-Y278 VanDerWaalsContact O-N 3.11Å; H276-Y278 PolarHBondContact O-N 2.79Å; Y278-P281 WeakPolarHBondContact O-CD 3.05Å
279	T	96.4	Very high	96.4	Very high	9 Å²	9	45.6 Å²	45.6	6%	0.055	22%	0.217	C	C	.	.	H	α-helix	trans	-90	-13.3	-178.4	59.5	0	0	0	0	113.9	I237 L238 L275 H276 P281 F282	I237-T279 HydrophobicContact CB-CG2 4.23Å; I237-T279 HydrophobicContact CG2-CG2 3.75Å; L238-T279 HydrophobicContact CB-CG2 3.99Å; L275-T279 PolarHBondContact O-N 3.37Å; L275-T279 PolarHBondContact O-OG1 2.89Å; H276-T279 PolarHBondContact O-N 2.83Å; T279-P281 VanDerWaalsContact C-N 3.33Å; T279-F282 WeakPolarHBondContact O-CB 3.47Å; T279-F282 PolarHBondContact O-N 3.4Å
280	Y	96.7	Very high	96.6	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.016	19%	0.194	C	C	.	.	H	α-helix	trans	-50.8	-39.3	179.3	-174.4	-105.6	0	0	0	115.5	K50 H276 F282 E283 L284 R323 G324 W325	K50-Y280 VanDerWaalsContact CE-OH 3.24Å; K50-Y280 WeakPolarHBondContact CE-OH 3.22Å; H276-Y280 WeakPolarHBondContact O-CB 3.5Å; H276-Y280 PolarHBondContact O-N 2.83Å; Y280-F282 PolarHBondContact O-N 3.47Å; Y280-F282 VanDerWaalsContact O-N 3.12Å; Y280-E283 HydrophobicContact CD2-CB 4.46Å; Y280-E283 WeakPolarHBondContact O-CB 3.49Å; Y280-E283 PolarHBondContact O-N 2.93Å; Y280-L284 HydrophobicContact CE1-CB 4.26Å; Y280-L284 PolarHBondContact O-N 3.16Å; Y280-R323 WeakPolarHBondContact CE1-O 3.22Å; Y280-R323 PolarHBondContact OH-O 3.48Å; Y280-G324 PolarHBondContact OH-O 3.06Å; Y280-G324 VanDerWaalsContact OH-O 3.11Å; Y280-W325 HydrophobicContact CD1-CB 4.04Å; Y280-W325 HydrophobicContact CD1-CD2 4.39Å; Y280-W325 AromaticContact CD1-CE3 3.87Å; Y280-W325 HydrophobicContact CD1-CE3 3.87Å; Y280-W325 HydrophobicContact CD1-CG 4.48Å; Y280-W325 AromaticContact CD2-CE3 3.37Å; Y280-W325 HydrophobicContact CD2-CE3 3.37Å; Y280-W325 AromaticContact CD2-CZ3 3.66Å; Y280-W325 HydrophobicContact CD2-CZ3 3.66Å; Y280-W325 HydrophobicContact CE1-CB 3.72Å; Y280-W325 HydrophobicContact CE1-CE3 4.23Å; Y280-W325 AromaticContact CE2-CE3 3.74Å; Y280-W325 HydrophobicContact CE2-CE3 3.74Å; Y280-W325 HydrophobicContact CE2-CZ3 4.32Å; Y280-W325 HydrophobicContact CG-CD2 4.28Å; Y280-W325 AromaticContact CG-CE3 3.4Å; Y280-W325 HydrophobicContact CG-CE3 3.4Å; Y280-W325 AromaticContact CG-CZ3 3.86Å; Y280-W325 HydrophobicContact CG-CZ3 3.86Å; Y280-W325 PolarHBondContact OH-N 3.46Å
281	P	97.4	Very high	96.8	Very high	28 Å²	28	37.2 Å²	37.2	18%	0.182	17%	0.17	C	C	.	.	H	α-helix	trans	-57.1	-29.9	177.8	-27.1	37	0	0	0	113.8	Y278 T279 T285 T321	Y278-P281 WeakPolarHBondContact O-CD 3.05Å; T279-P281 VanDerWaalsContact C-N 3.33Å; P281-T285 WeakPolarHBondContact O-CB 3.48Å; P281-T285 PolarHBondContact O-N 3.32Å; P281-T285 PolarHBondContact O-OG1 3.17Å; P281-T321 HydrophobicContact CB-CG2 4.49Å
282	F	97.6	Very high	96.9	Very high	39 Å²	39	37.4 Å²	37.4	17%	0.171	17%	0.17	C	C	.	.	H	α-helix	trans	-71.2	-40.9	174.9	-71.1	-75.9	0	0	0	112.1	P230 I233 I237 T279 Y280 T285 G286 W308	P230-F282 WeakPolarHBondContact O-CB 3.4Å; I233-F282 HydrophobicContact CB-CD1 4.39Å; I233-F282 HydrophobicContact CG2-CD1 3.97Å; I233-F282 HydrophobicContact CG2-CE1 3.7Å; I233-F282 HydrophobicContact CG2-CZ 4.08Å; I237-F282 HydrophobicContact CD1-CE2 4.17Å; I237-F282 HydrophobicContact CD1-CZ 4.29Å; T279-F282 WeakPolarHBondContact O-CB 3.47Å; T279-F282 PolarHBondContact O-N 3.4Å; Y280-F282 PolarHBondContact O-N 3.47Å; Y280-F282 VanDerWaalsContact O-N 3.12Å; F282-T285 PolarHBondContact O-N 3.29Å; F282-G286 PolarHBondContact O-N 2.98Å; F282-W308 HydrophobicContact CD1-CZ3 4.42Å; F282-W308 HydrophobicContact CE1-CZ3 4.2Å
283	E	96.1	Very high	96.8	Very high	54 Å²	54	33 Å²	33	25%	0.252	16%	0.159	S	C	.	.	H	α-helix	trans	-62	-46.1	174.4	-174.3	-166.7	148.4	0	0	111.1	K50 H276 Y280 G286 C287	K50-E283 IonicContact NZ-OE1 3.55Å; K50-E283 PolarHBondContact NZ-OE1 3.49Å; H276-E283 IonicContact CE1-OE2 2.83Å; H276-E283 PolarHBondContact CE1-OE2 2.89Å; H276-E283 VanDerWaalsContact CE1-OE2 3.29Å; Y280-E283 HydrophobicContact CD2-CB 4.46Å; Y280-E283 WeakPolarHBondContact O-CB 3.49Å; Y280-E283 PolarHBondContact O-N 2.93Å; E283-G286 PolarHBondContact O-N 3.49Å; E283-C287 PolarHBondContact O-N 3.33Å
284	L	97.3	Very high	96.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-59.8	-47.7	176.5	175.6	62.4	0	0	0	111.4	K50 Y280 G286 C287 I288 L315 Q320 T321 R323	K50-L284 HydrophobicContact CB-CD1 3.75Å; K50-L284 HydrophobicContact CG-CD1 3.92Å; K50-L284 WeakPolarHBondContact O-CD1 3.44Å; Y280-L284 HydrophobicContact CE1-CB 4.26Å; Y280-L284 PolarHBondContact O-N 3.16Å; L284-G286 VanDerWaalsContact C-N 3.32Å; L284-G286 PolarHBondContact O-N 3.32Å; L284-C287 WeakPolarHBondContact O-CB 3.31Å; L284-C287 PolarHBondContact O-N 2.88Å; L284-C287 VanDerWaalsContact O-N 3.13Å; L284-I288 HydrophobicContact CD1-CD1 3.93Å; L284-I288 HydrophobicContact CD1-CG1 4.4Å; L284-I288 HydrophobicContact CG-CD1 4.03Å; L284-I288 PolarHBondContact O-N 3.49Å; L284-L315 HydrophobicContact CD2-CD1 4.11Å; L284-L315 HydrophobicContact CG-CD1 4.21Å; L284-Q320 VanDerWaalsContact CD2-O 3.27Å; L284-Q320 WeakPolarHBondContact CD2-O 3.36Å; L284-T321 WeakPolarHBondContact CD2-O 3.5Å; L284-R323 HydrophobicContact CD1-CB 3.97Å; L284-R323 HydrophobicContact CD2-CB 3.91Å
285	T	97.9	Very high	96.8	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.006	15%	0.147	C	C	.	.	H	α-helix	trans	-60.8	-42.3	177.6	-56.1	0	0	0	0	111	P230 P281 F282 C287 I288 M289 W308 C311 Q312	P230-T285 HydrophobicContact CB-CG2 4.03Å; P230-T285 HydrophobicContact CG-CG2 4.21Å; P281-T285 WeakPolarHBondContact O-CB 3.48Å; P281-T285 PolarHBondContact O-N 3.32Å; P281-T285 PolarHBondContact O-OG1 3.17Å; F282-T285 PolarHBondContact O-N 3.29Å; T285-C287 VanDerWaalsContact C-N 3.31Å; T285-C287 PolarHBondContact O-N 2.85Å; T285-I288 PolarHBondContact O-N 3.32Å; T285-M289 HydrophobicContact CG2-CG 4.26Å; T285-M289 VanDerWaalsContact O-CB 3.31Å; T285-M289 WeakPolarHBondContact O-CB 3.44Å; T285-M289 VanDerWaalsContact O-CG 3.24Å; T285-M289 WeakPolarHBondContact O-CG 3.42Å; T285-M289 PolarHBondContact O-N 2.89Å; T285-W308 HydrophobicContact CG2-CB 4.18Å; T285-W308 HydrophobicContact CG2-CE3 4.25Å; T285-W308 VanDerWaalsContact CG2-O 3.31Å; T285-W308 WeakPolarHBondContact CG2-O 3.44Å; T285-C311 HydrophobicContact CG2-CB 4.31Å; T285-Q312 HydrophobicContact CG2-CB 4.16Å
286	G	97.7	Very high	96.7	Very high	1 Å²	1	29 Å²	29	1%	0.01	14%	0.143	C	C	.	.	H	α-helix	trans	-61.7	-37.4	174.4	0	0	0	0	0	113.2	F282 E283 L284 A290	F282-G286 PolarHBondContact O-N 2.98Å; E283-G286 PolarHBondContact O-N 3.49Å; L284-G286 VanDerWaalsContact C-N 3.32Å; L284-G286 PolarHBondContact O-N 3.32Å; G286-A290 PolarHBondContact O-N 3.25Å
287	C	98.2	Very high	96.6	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.007	16%	0.158	C	C	.	.	H	α-helix	trans	-66	-48.1	176.2	-170.5	0	0	0	0	112.3	K50 Y188 E283 L284 T285 A290	K50-C287 HydrophobicContact CB-CB 4.4Å; K50-C287 HydrophobicContact CD-CB 4.21Å; Y188-C287 VanDerWaalsContact OH-CA 3.27Å; Y188-C287 WeakPolarHBondContact OH-CA 3.45Å; Y188-C287 WeakPolarHBondContact OH-CB 3.36Å; E283-C287 PolarHBondContact O-N 3.33Å; L284-C287 WeakPolarHBondContact O-CB 3.31Å; L284-C287 PolarHBondContact O-N 2.88Å; L284-C287 VanDerWaalsContact O-N 3.13Å; T285-C287 VanDerWaalsContact C-N 3.31Å; T285-C287 PolarHBondContact O-N 2.85Å; C287-A290 WeakPolarHBondContact O-CB 3.45Å; C287-A290 PolarHBondContact O-N 3.37Å
288	I	98.1	Very high	96.5	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.015	15%	0.151	C	C	.	.	H	α-helix	trans	-64.5	-42.6	177.7	-67.5	162.5	0	0	0	110.3	L284 T285 A290 V291 S302 L315	L284-I288 HydrophobicContact CD1-CD1 3.93Å; L284-I288 HydrophobicContact CD1-CG1 4.4Å; L284-I288 HydrophobicContact CG-CD1 4.03Å; L284-I288 PolarHBondContact O-N 3.49Å; T285-I288 PolarHBondContact O-N 3.32Å; I288-A290 VanDerWaalsContact C-N 3.25Å; I288-A290 PolarHBondContact O-N 2.75Å; I288-V291 WeakPolarHBondContact O-CG2 3.3Å; I288-V291 PolarHBondContact O-N 2.78Å; I288-S302 VanDerWaalsContact O-CB 3.24Å; I288-S302 WeakPolarHBondContact O-CB 3.11Å; I288-L315 HydrophobicContact CD1-CD1 3.7Å; I288-L315 HydrophobicContact CD1-CD2 3.97Å; I288-L315 HydrophobicContact CD1-CG 4.39Å
289	M	97.9	Very high	96.5	Very high	7 Å²	7	21.3 Å²	21.3	3%	0.034	12%	0.118	C	C	.	.	H	α-helix	trans	-71.4	-17	179.1	-67.2	-56.5	-61.4	0	0	113.4	Q226 T285 V291 H292 W308 C311	Q226-M289 WeakPolarHBondContact CB-O 3.08Å; T285-M289 HydrophobicContact CG2-CG 4.26Å; T285-M289 VanDerWaalsContact O-CB 3.31Å; T285-M289 WeakPolarHBondContact O-CB 3.44Å; T285-M289 VanDerWaalsContact O-CG 3.24Å; T285-M289 WeakPolarHBondContact O-CG 3.42Å; T285-M289 PolarHBondContact O-N 2.89Å; M289-V291 PolarHBondContact O-N 3.27Å; M289-H292 HydrophobicContact CE-CB 3.74Å; M289-H292 VanDerWaalsContact CE-CD2 3.42Å; M289-H292 WeakPolarHBondContact CE-CD2 3.43Å; M289-H292 WeakPolarHBondContact O-CB 3.4Å; M289-H292 PolarHBondContact O-N 3.29Å; M289-W308 HydrophobicContact CE-CB 4.45Å; M289-W308 HydrophobicContact CG-CB 3.8Å; M289-C311 HydrophobicContact CG-CB 4.38Å; M289-C311 HydrophobicContact SD-CB 3.86Å
290	A	98.2	Very high	96.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62.7	-26.3	175.4	0	0	0	0	0	113.1	Y188 V189 V192 R193 G286 C287 I288	Y188-A290 HydrophobicContact CE1-CB 4.22Å; V189-A290 WeakPolarHBondContact CG1-O 3.4Å; V189-A290 HydrophobicContact CG2-CB 4.15Å; V192-A290 HydrophobicContact CB-CB 4.1Å; V192-A290 HydrophobicContact CG1-CB 4.15Å; V192-A290 HydrophobicContact CG2-CB 4.34Å; R193-A290 PolarHBondContact NE-O 3.39Å; G286-A290 PolarHBondContact O-N 3.25Å; C287-A290 WeakPolarHBondContact O-CB 3.45Å; C287-A290 PolarHBondContact O-N 3.37Å; I288-A290 VanDerWaalsContact C-N 3.25Å; I288-A290 PolarHBondContact O-N 2.75Å
291	V	97.6	Very high	96.2	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.006	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-0.1	175	-63.5	0	0	0	0	113.1	L51 V192 R193 A196 I288 M289 G293 A294 A299 S302	L51-V291 HydrophobicContact CD2-CG1 4.22Å; L51-V291 HydrophobicContact CD2-CG2 3.78Å; V192-V291 HydrophobicContact CG1-CG1 3.77Å; R193-V291 HydrophobicContact CG-CG1 4.07Å; A196-V291 HydrophobicContact CB-CG1 3.75Å; I288-V291 WeakPolarHBondContact O-CG2 3.3Å; I288-V291 PolarHBondContact O-N 2.78Å; M289-V291 PolarHBondContact O-N 3.27Å; V291-G293 PolarHBondContact O-N 3.35Å; V291-A294 WeakPolarHBondContact O-CB 3.4Å; V291-A294 PolarHBondContact O-N 3.32Å; V291-A294 VanDerWaalsContact O-N 3.09Å; V291-A299 HydrophobicContact CB-CB 4.05Å; V291-A299 HydrophobicContact CG2-CB 4.26Å; V291-A299 VanDerWaalsContact O-CB 3.25Å; V291-A299 WeakPolarHBondContact O-CB 3.07Å; V291-S302 WeakPolarHBondContact CG2-OG 3.34Å; V291-S302 PolarHBondContact O-OG 2.81Å
292	H	97.3	Very high	96.2	Very high	35 Å²	35	25.8 Å²	25.8	16%	0.162	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	135.5	175.8	-172.5	-91.5	0	0	0	112	R193 M289 A294 S302 F305	R193-H292 PolarHBondContact NH2-O 2.78Å; M289-H292 HydrophobicContact CE-CB 3.74Å; M289-H292 VanDerWaalsContact CE-CD2 3.42Å; M289-H292 WeakPolarHBondContact CE-CD2 3.43Å; M289-H292 WeakPolarHBondContact O-CB 3.4Å; M289-H292 PolarHBondContact O-N 3.29Å; H292-A294 PolarHBondContact O-N 3Å; H292-S302 PolarHBondContact CD2-O 2.65Å; H292-F305 PolarHBondContact NE2-O 3.08Å
293	G	94.3	Very high	96.1	Very high	21 Å²	21	27 Å²	27	22%	0.216	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.4	1.9	-175	0	0	0	0	0	114.6	N219 V291 N303	N219-G293 VanDerWaalsContact ND2-C 3.34Å; N219-G293 PolarHBondContact ND2-O 3.38Å; N219-G293 WeakPolarHBondContact OD1-CA 3.17Å; N219-G293 PolarHBondContact OD1-O 3.49Å; V291-G293 PolarHBondContact O-N 3.35Å; G293-N303 WeakPolarHBondContact CA-OD1 3.48Å; G293-N303 PolarHBondContact N-OD1 2.99Å
294	A	95.6	Very high	96.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.166	C	C	.	.			trans	-81.7	142.8	176.9	0	0	0	0	0	111.2	E218 V291 H292 L296 A299 N303	E218-A294 WeakPolarHBondContact OE2-CA 3.45Å; V291-A294 WeakPolarHBondContact O-CB 3.4Å; V291-A294 PolarHBondContact O-N 3.32Å; V291-A294 VanDerWaalsContact O-N 3.09Å; H292-A294 PolarHBondContact O-N 3Å; A294-L296 HydrophobicContact CB-CB 4.45Å; A294-L296 HydrophobicContact CB-CD1 3.94Å; A294-L296 HydrophobicContact CB-CG 4.1Å; A294-L296 PolarHBondContact O-N 3.14Å; A294-A299 HydrophobicContact CB-CB 4.14Å; A294-A299 WeakPolarHBondContact O-CB 3.44Å; A294-N303 PolarHBondContact O-ND2 3.41Å
295	N	94.8	Very high	96	Very high	119 Å²	119	29.2 Å²	29.2	64%	0.636	17%	0.17	S	C	*	.			trans	-83.2	65	172.7	-70.5	-24.6	0	0	0	110.5	Q204 E218	Q204-N295 PolarHBondContact NE2-O 2.76Å; E218-N295 PolarHBondContact OE2-N 3.49Å
296	L	95.4	Very high	95.8	Very high	10 Å²	10	36.8 Å²	36.8	5%	0.052	21%	0.205	C	C	.	.	S	Bend	trans	-128.1	145.6	-178	-69.1	173	0	0	0	110.4	R193 A196 A197 E202 Y205 A294 G298 A299	R193-L296 HydrophobicContact CB-CD1 4.32Å; A196-L296 HydrophobicContact CB-CD1 3.96Å; A197-L296 HydrophobicContact CB-CD2 3.89Å; E202-L296 HydrophobicContact CB-CD2 3.91Å; E202-L296 HydrophobicContact CG-CD2 3.78Å; Y205-L296 HydrophobicContact CD2-CD1 4.12Å; Y205-L296 HydrophobicContact CD2-CD2 3.66Å; Y205-L296 HydrophobicContact CD2-CG 4.22Å; Y205-L296 HydrophobicContact CE2-CD1 3.77Å; Y205-L296 HydrophobicContact CE2-CD2 3.67Å; Y205-L296 HydrophobicContact CE2-CG 3.77Å; A294-L296 HydrophobicContact CB-CB 4.45Å; A294-L296 HydrophobicContact CB-CD1 3.94Å; A294-L296 HydrophobicContact CB-CG 4.1Å; A294-L296 PolarHBondContact O-N 3.14Å; L296-G298 PolarHBondContact O-N 3.03Å; L296-A299 HydrophobicContact CB-CB 3.94Å; L296-A299 WeakPolarHBondContact O-CB 3.44Å; L296-A299 PolarHBondContact O-N 3.5Å
297	I	94.4	Very high	95.6	Very high	103 Å²	103	39.4 Å²	39.4	53%	0.528	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-61.4	-38.6	172.5	-68.7	172.1	0	0	0	109.9	I199 E202 A299 T300	I199-I297 HydrophobicContact CG2-CG2 4.24Å; E202-I297 PolarHBondContact OE1-N 3.28Å; I297-A299 PolarHBondContact O-N 3.44Å; I297-T300 WeakPolarHBondContact O-CB 3.46Å; I297-T300 VanDerWaalsContact O-CG2 3.24Å; I297-T300 WeakPolarHBondContact O-CG2 3.41Å; I297-T300 PolarHBondContact O-N 3.05Å; I297-T300 PolarHBondContact O-OG1 3.43Å
298	G	92.1	Very high	95.5	Very high	12 Å²	12	42.5 Å²	42.5	12%	0.124	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-66	-11.9	174.1	0	0	0	0	0	115.2	L296	L296-G298 PolarHBondContact O-N 3.03Å
299	A	95.4	Very high	95.4	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-96.4	3.6	177.5	0	0	0	0	0	113.1	V291 A294 L296 I297 E301 S302 N303	V291-A299 HydrophobicContact CB-CB 4.05Å; V291-A299 HydrophobicContact CG2-CB 4.26Å; V291-A299 VanDerWaalsContact O-CB 3.25Å; V291-A299 WeakPolarHBondContact O-CB 3.07Å; A294-A299 HydrophobicContact CB-CB 4.14Å; A294-A299 WeakPolarHBondContact O-CB 3.44Å; L296-A299 HydrophobicContact CB-CB 3.94Å; L296-A299 WeakPolarHBondContact O-CB 3.44Å; L296-A299 PolarHBondContact O-N 3.5Å; I297-A299 PolarHBondContact O-N 3.44Å; A299-E301 PolarHBondContact O-N 2.72Å; A299-S302 WeakPolarHBondContact CA-OG 3.45Å; A299-S302 PolarHBondContact O-N 3.26Å; A299-S302 PolarHBondContact O-OG 3.03Å; A299-N303 WeakPolarHBondContact O-CB 3.46Å; A299-N303 PolarHBondContact O-N 2.81Å; A299-N303 PolarHBondContact O-ND2 3.46Å
300	T	94.8	Very high	95.4	Very high	96 Å²	96	50.9 Å²	50.9	59%	0.589	27%	0.265	S	S	*	.	H	α-helix	trans	-60.8	-43.2	-179.1	47.2	0	0	0	0	112.7	I297 S304	I297-T300 WeakPolarHBondContact O-CB 3.46Å; I297-T300 VanDerWaalsContact O-CG2 3.24Å; I297-T300 WeakPolarHBondContact O-CG2 3.41Å; I297-T300 PolarHBondContact O-N 3.05Å; I297-T300 PolarHBondContact O-OG1 3.43Å; T300-S304 PolarHBondContact O-N 3.37Å
301	E	93.4	Very high	95.3	Very high	38 Å²	38	50.9 Å²	50.9	18%	0.178	27%	0.265	C	S	.	.	H	α-helix	trans	-64.4	-48.5	175.9	-166.2	-174.3	97.9	0	0	110.6	A299 N303 S304 F305 R323	A299-E301 PolarHBondContact O-N 2.72Å; E301-N303 PolarHBondContact O-N 3.03Å; E301-S304 WeakPolarHBondContact O-CB 3.29Å; E301-S304 PolarHBondContact O-N 2.94Å; E301-S304 PolarHBondContact O-OG 3.17Å; E301-F305 HydrophobicContact CG-CE2 3.99Å; E301-F305 HydrophobicContact CG-CZ 4.2Å; E301-F305 VanDerWaalsContact O-CD2 3.25Å; E301-F305 WeakPolarHBondContact O-CD2 3.44Å; E301-F305 WeakPolarHBondContact O-CE2 3.42Å; E301-R323 VanDerWaalsContact CD-NH1 3.3Å; E301-R323 IonicContact OE1-CZ 2.72Å; E301-R323 IonicContact OE1-NH1 3.22Å; E301-R323 PolarHBondContact OE1-NH1 3.48Å; E301-R323 IonicContact OE1-NH2 2.83Å; E301-R323 IonicContact OE2-CZ 2.86Å; E301-R323 IonicContact OE2-NH1 3.45Å; E301-R323 PolarHBondContact OE2-NH1 3.43Å; E301-R323 IonicContact OE2-NH2 3.8Å; E301-R323 PolarHBondContact OE2-NH2 2.82Å
302	S	95.6	Very high	95.3	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.007	27%	0.273	C	S	.	.	H	α-helix	trans	-63.2	-45.5	-178.6	61.4	0	0	0	0	112.1	I288 V291 H292 A299 S304 F305	I288-S302 VanDerWaalsContact O-CB 3.24Å; I288-S302 WeakPolarHBondContact O-CB 3.11Å; V291-S302 WeakPolarHBondContact CG2-OG 3.34Å; V291-S302 PolarHBondContact O-OG 2.81Å; H292-S302 PolarHBondContact CD2-O 2.65Å; A299-S302 WeakPolarHBondContact CA-OG 3.45Å; A299-S302 PolarHBondContact O-N 3.26Å; A299-S302 PolarHBondContact O-OG 3.03Å; S302-S304 PolarHBondContact O-N 3.4Å; S302-S304 VanDerWaalsContact O-N 3.16Å; S302-F305 PolarHBondContact O-N 2.97Å
303	N	96.3	Very high	95.2	Very high	65 Å²	65	57.3 Å²	57.3	35%	0.348	29%	0.29	S	S	.	.	H	α-helix	trans	-65.9	-15.8	-178.8	-67.7	-13.5	0	0	0	113.1	G293 A294 A299 E301 F305	G293-N303 WeakPolarHBondContact CA-OD1 3.48Å; G293-N303 PolarHBondContact N-OD1 2.99Å; A294-N303 PolarHBondContact O-ND2 3.41Å; A299-N303 WeakPolarHBondContact O-CB 3.46Å; A299-N303 PolarHBondContact O-N 2.81Å; A299-N303 PolarHBondContact O-ND2 3.46Å; E301-N303 PolarHBondContact O-N 3.03Å; N303-F305 PolarHBondContact O-N 3.46Å
304	S	95.4	Very high	95.3	Very high	82 Å²	82	60.5 Å²	60.5	57%	0.573	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-19.6	172.9	77.8	0	0	0	0	113.3	T300 E301 S302	T300-S304 PolarHBondContact O-N 3.37Å; E301-S304 WeakPolarHBondContact O-CB 3.29Å; E301-S304 PolarHBondContact O-N 2.94Å; E301-S304 PolarHBondContact O-OG 3.17Å; S302-S304 PolarHBondContact O-N 3.4Å; S302-S304 VanDerWaalsContact O-N 3.16Å
305	F	96	Very high	95.3	Very high	17 Å²	17	60.6 Å²	60.6	8%	0.075	30%	0.296	C	S	.	.			trans	-97.3	138.6	-179.7	-50.6	-59.1	0	0	0	111.4	H292 E301 S302 N303 E310 C311 Y314	H292-F305 PolarHBondContact NE2-O 3.08Å; E301-F305 HydrophobicContact CG-CE2 3.99Å; E301-F305 HydrophobicContact CG-CZ 4.2Å; E301-F305 VanDerWaalsContact O-CD2 3.25Å; E301-F305 WeakPolarHBondContact O-CD2 3.44Å; E301-F305 WeakPolarHBondContact O-CE2 3.42Å; S302-F305 PolarHBondContact O-N 2.97Å; N303-F305 PolarHBondContact O-N 3.46Å; F305-E310 HydrophobicContact CB-CB 4.33Å; F305-E310 HydrophobicContact CD1-CB 4.28Å; F305-C311 HydrophobicContact CB-CB 4.29Å; F305-C311 HydrophobicContact CD1-CB 4.48Å; F305-C311 HydrophobicContact CD2-CB 3.46Å; F305-C311 VanDerWaalsContact CD2-CB 3.46Å; F305-C311 HydrophobicContact CE2-CB 3.85Å; F305-C311 HydrophobicContact CG-CB 3.82Å; F305-Y314 HydrophobicContact CE1-CD1 4.01Å; F305-Y314 HydrophobicContact CE1-CD2 4.08Å; F305-Y314 AromaticContact CE1-CG 3.64Å; F305-Y314 HydrophobicContact CE1-CG 3.64Å; F305-Y314 HydrophobicContact CE2-CD1 4.45Å; F305-Y314 AromaticContact CZ-CD1 3.44Å; F305-Y314 HydrophobicContact CZ-CD1 3.44Å; F305-Y314 VanDerWaalsContact CZ-CD1 3.44Å; F305-Y314 HydrophobicContact CZ-CD2 4.26Å; F305-Y314 AromaticContact CZ-CE1 3.98Å; F305-Y314 HydrophobicContact CZ-CE1 3.98Å; F305-Y314 AromaticContact CZ-CG 3.6Å; F305-Y314 HydrophobicContact CZ-CG 3.6Å
306	H	93.5	Very high	95.2	Very high	160 Å²	160	58.6 Å²	58.6	74%	0.741	29%	0.292	S	S	*	.	S	Bend	trans	-76.3	-36.2	173.9	-175.7	-70.3	0	0	0	111.2	E310	H306-E310 WeakPolarHBondContact CB-OE2 3.39Å; H306-E310 PolarHBondContact N-OE2 3.41Å
307	N	94.1	Very high	95.2	Very high	56 Å²	56	65.3 Å²	65.3	30%	0.299	32%	0.323	S	S	.	.	S	Bend	trans	-138.8	166.1	-177.7	62.6	46.2	0	0	0	111.7	Y309 E310 C311	N307-Y309 PolarHBondContact O-N 3.32Å; N307-Y309 PolarHBondContact OD1-N 3.43Å; N307-Y309 VanDerWaalsContact OD1-N 3.12Å; N307-E310 PolarHBondContact ND2-OE1 3.29Å; N307-E310 PolarHBondContact O-N 2.99Å; N307-E310 WeakPolarHBondContact OD1-CB 3.32Å; N307-E310 WeakPolarHBondContact OD1-CG 3.39Å; N307-E310 PolarHBondContact OD1-N 3.34Å; N307-C311 PolarHBondContact O-N 3.21Å
308	W	95.8	Very high	95	Very high	67 Å²	67	62.5 Å²	62.5	25%	0.254	31%	0.309	S	S	.	.	H	α-helix	trans	-66.2	-25.3	179.5	68.2	-92.7	0	0	0	113.1	I229 P230 I233 F282 T285 M289 C311 Q312	I229-W308 HydrophobicContact CG2-CZ2 4.11Å; P230-W308 HydrophobicContact CB-CD2 4.17Å; P230-W308 HydrophobicContact CB-CE3 3.8Å; P230-W308 HydrophobicContact CB-CZ3 4.3Å; P230-W308 HydrophobicContact CG-CB 4Å; P230-W308 HydrophobicContact CG-CD2 4.32Å; P230-W308 HydrophobicContact CG-CE3 4.38Å; P230-W308 HydrophobicContact CG-CG 4.18Å; I233-W308 HydrophobicContact CD1-CH2 3.92Å; I233-W308 HydrophobicContact CD1-CZ2 3.93Å; F282-W308 HydrophobicContact CD1-CZ3 4.42Å; F282-W308 HydrophobicContact CE1-CZ3 4.2Å; T285-W308 HydrophobicContact CG2-CB 4.18Å; T285-W308 HydrophobicContact CG2-CE3 4.25Å; T285-W308 VanDerWaalsContact CG2-O 3.31Å; T285-W308 WeakPolarHBondContact CG2-O 3.44Å; M289-W308 HydrophobicContact CE-CB 4.45Å; M289-W308 HydrophobicContact CG-CB 3.8Å; W308-C311 WeakPolarHBondContact O-CB 3.27Å; W308-C311 PolarHBondContact O-N 3.42Å; W308-Q312 PolarHBondContact O-N 3.03Å
309	Y	96.6	Very high	95	Very high	106 Å²	106	69.5 Å²	69.5	42%	0.416	34%	0.338	S	S	.	.	H	α-helix	trans	-73.7	-36.8	-178.1	-178.1	-109.3	0	0	0	112.1	N307 Q312 R313	N307-Y309 PolarHBondContact O-N 3.32Å; N307-Y309 PolarHBondContact OD1-N 3.43Å; N307-Y309 VanDerWaalsContact OD1-N 3.12Å; Y309-Q312 PolarHBondContact O-N 3.24Å; Y309-R313 HydrophobicContact CE1-CG 4.21Å; Y309-R313 VanDerWaalsContact CE1-NH2 3.32Å; Y309-R313 WeakPolarHBondContact O-CB 3.25Å; Y309-R313 WeakPolarHBondContact O-CG 3.38Å; Y309-R313 PolarHBondContact O-N 3.04Å; Y309-R313 PolarHBondContact OH-NE 2.95Å; Y309-R313 PolarHBondContact OH-NH2 3.12Å
310	E	97.2	Very high	94.8	Very high	79 Å²	79	69.9 Å²	69.9	37%	0.369	34%	0.34	S	S	.	.	H	α-helix	trans	-62	-45.3	169.8	-78.2	166.4	-156	0	0	111	F305 H306 N307 Q312 R313 Y314	F305-E310 HydrophobicContact CB-CB 4.33Å; F305-E310 HydrophobicContact CD1-CB 4.28Å; H306-E310 WeakPolarHBondContact CB-OE2 3.39Å; H306-E310 PolarHBondContact N-OE2 3.41Å; N307-E310 PolarHBondContact ND2-OE1 3.29Å; N307-E310 PolarHBondContact O-N 2.99Å; N307-E310 WeakPolarHBondContact OD1-CB 3.32Å; N307-E310 WeakPolarHBondContact OD1-CG 3.39Å; N307-E310 PolarHBondContact OD1-N 3.34Å; E310-Q312 VanDerWaalsContact C-N 3.33Å; E310-Q312 PolarHBondContact O-N 3.42Å; E310-R313 PolarHBondContact O-N 3.41Å; E310-Y314 VanDerWaalsContact O-CB 3.31Å; E310-Y314 WeakPolarHBondContact O-CB 3.39Å; E310-Y314 PolarHBondContact O-N 3.25Å
311	C	96.8	Very high	94.7	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-55.4	-48.8	172.6	178	0	0	0	0	111	T285 M289 F305 N307 W308 R313 Y314 L315	T285-C311 HydrophobicContact CG2-CB 4.31Å; M289-C311 HydrophobicContact CG-CB 4.38Å; M289-C311 HydrophobicContact SD-CB 3.86Å; F305-C311 HydrophobicContact CB-CB 4.29Å; F305-C311 HydrophobicContact CD1-CB 4.48Å; F305-C311 HydrophobicContact CD2-CB 3.46Å; F305-C311 VanDerWaalsContact CD2-CB 3.46Å; F305-C311 HydrophobicContact CE2-CB 3.85Å; F305-C311 HydrophobicContact CG-CB 3.82Å; N307-C311 PolarHBondContact O-N 3.21Å; W308-C311 WeakPolarHBondContact O-CB 3.27Å; W308-C311 PolarHBondContact O-N 3.42Å; C311-R313 PolarHBondContact O-N 3.4Å; C311-Y314 PolarHBondContact O-N 3.06Å; C311-L315 VanDerWaalsContact O-CG 3.28Å; C311-L315 WeakPolarHBondContact O-CG 3.43Å; C311-L315 PolarHBondContact O-N 3.42Å
312	Q	96.2	Very high	94.6	Very high	36 Å²	36	68.5 Å²	68.5	17%	0.168	33%	0.331	C	S	.	.	H	α-helix	trans	-63.2	-42.9	178.8	-169.3	176.7	13.9	0	0	112.7	T285 W308 Y309 E310 L315 S316	T285-Q312 HydrophobicContact CG2-CB 4.16Å; W308-Q312 PolarHBondContact O-N 3.03Å; Y309-Q312 PolarHBondContact O-N 3.24Å; E310-Q312 VanDerWaalsContact C-N 3.33Å; E310-Q312 PolarHBondContact O-N 3.42Å; Q312-L315 PolarHBondContact O-N 2.95Å; Q312-S316 WeakPolarHBondContact O-CB 3.4Å; Q312-S316 PolarHBondContact O-N 2.8Å
313	R	96.6	Very high	94.5	Very high	136 Å²	136	68.6 Å²	68.6	51%	0.513	33%	0.331	S	S	.	.	H	α-helix	trans	-61.5	-45.8	175.7	-80.5	-174	170	-176.9	2.7	111.4	Y309 E310 C311 L315 S316 Q317	Y309-R313 HydrophobicContact CE1-CG 4.21Å; Y309-R313 VanDerWaalsContact CE1-NH2 3.32Å; Y309-R313 WeakPolarHBondContact O-CB 3.25Å; Y309-R313 WeakPolarHBondContact O-CG 3.38Å; Y309-R313 PolarHBondContact O-N 3.04Å; Y309-R313 PolarHBondContact OH-NE 2.95Å; Y309-R313 PolarHBondContact OH-NH2 3.12Å; E310-R313 PolarHBondContact O-N 3.41Å; C311-R313 PolarHBondContact O-N 3.4Å; R313-L315 VanDerWaalsContact C-N 3.35Å; R313-L315 PolarHBondContact O-N 3.17Å; R313-S316 PolarHBondContact O-N 3.36Å; R313-Q317 WeakPolarHBondContact O-CB 3.44Å; R313-Q317 WeakPolarHBondContact O-CG 3.44Å; R313-Q317 PolarHBondContact O-N 3.42Å
314	Y	95.6	Very high	94.1	Very high	87 Å²	87	65.7 Å²	65.7	34%	0.341	32%	0.316	S	S	.	.	H	α-helix	trans	-58	-46.5	176.4	171	-93.2	0	0	0	111.5	F305 E310 C311 S316 Q317 N318	F305-Y314 HydrophobicContact CE1-CD1 4.01Å; F305-Y314 HydrophobicContact CE1-CD2 4.08Å; F305-Y314 AromaticContact CE1-CG 3.64Å; F305-Y314 HydrophobicContact CE1-CG 3.64Å; F305-Y314 HydrophobicContact CE2-CD1 4.45Å; F305-Y314 AromaticContact CZ-CD1 3.44Å; F305-Y314 HydrophobicContact CZ-CD1 3.44Å; F305-Y314 VanDerWaalsContact CZ-CD1 3.44Å; F305-Y314 HydrophobicContact CZ-CD2 4.26Å; F305-Y314 AromaticContact CZ-CE1 3.98Å; F305-Y314 HydrophobicContact CZ-CE1 3.98Å; F305-Y314 AromaticContact CZ-CG 3.6Å; F305-Y314 HydrophobicContact CZ-CG 3.6Å; E310-Y314 VanDerWaalsContact O-CB 3.31Å; E310-Y314 WeakPolarHBondContact O-CB 3.39Å; E310-Y314 PolarHBondContact O-N 3.25Å; C311-Y314 PolarHBondContact O-N 3.06Å; Y314-S316 VanDerWaalsContact C-N 3.32Å; Y314-S316 PolarHBondContact O-N 3.17Å; Y314-Q317 PolarHBondContact O-N 3.21Å; Y314-N318 WeakPolarHBondContact CD2-ND2 2.95Å; Y314-N318 WeakPolarHBondContact CE2-ND2 3.46Å; Y314-N318 VanDerWaalsContact CZ-ND2 3.29Å; Y314-N318 WeakPolarHBondContact O-CB 3.37Å; Y314-N318 PolarHBondContact O-N 3.08Å; Y314-N318 PolarHBondContact O-ND2 3.08Å
315	L	94.8	Very high	93.9	Very high	2 Å²	2	63.2 Å²	63.2	1%	0.01	29%	0.294	C	S	.	.	H	α-helix	trans	-62.7	-39.8	177	-67.6	169.8	0	0	0	111.7	L284 I288 C311 Q312 R313 Q319 Q320 T321	L284-L315 HydrophobicContact CD2-CD1 4.11Å; L284-L315 HydrophobicContact CG-CD1 4.21Å; I288-L315 HydrophobicContact CD1-CD1 3.7Å; I288-L315 HydrophobicContact CD1-CD2 3.97Å; I288-L315 HydrophobicContact CD1-CG 4.39Å; C311-L315 VanDerWaalsContact O-CG 3.28Å; C311-L315 WeakPolarHBondContact O-CG 3.43Å; C311-L315 PolarHBondContact O-N 3.42Å; Q312-L315 PolarHBondContact O-N 2.95Å; R313-L315 VanDerWaalsContact C-N 3.35Å; R313-L315 PolarHBondContact O-N 3.17Å; L315-Q319 PolarHBondContact O-N 2.9Å; L315-Q320 HydrophobicContact CB-CB 4.49Å; L315-Q320 HydrophobicContact CD2-CB 3.69Å; L315-Q320 PolarHBondContact O-N 3.14Å; L315-T321 HydrophobicContact CB-CG2 4.06Å; L315-T321 PolarHBondContact O-N 2.93Å
316	S	94.1	Very high	93.7	Very high	78 Å²	78	69 Å²	69	55%	0.545	32%	0.316	S	S	.	.	H	α-helix	trans	-66.2	-43.2	177.7	-168.7	0	0	0	0	112.4	Q312 R313 Y314 N318 Q319	Q312-S316 WeakPolarHBondContact O-CB 3.4Å; Q312-S316 PolarHBondContact O-N 2.8Å; R313-S316 PolarHBondContact O-N 3.36Å; Y314-S316 VanDerWaalsContact C-N 3.32Å; Y314-S316 PolarHBondContact O-N 3.17Å; S316-N318 VanDerWaalsContact C-N 3.35Å; S316-Q319 PolarHBondContact O-N 3.3Å
317	Q	94	Very high	93.4	Very high	150 Å²	150	64 Å²	64	70%	0.701	30%	0.298	S	S	*	.	H	α-helix	trans	-66.5	-37.7	179.5	-73.3	173.7	-16.5	0	0	111.9	R313 Y314 Q319	R313-Q317 WeakPolarHBondContact O-CB 3.44Å; R313-Q317 WeakPolarHBondContact O-CG 3.44Å; R313-Q317 PolarHBondContact O-N 3.42Å; Y314-Q317 PolarHBondContact O-N 3.21Å; Q317-Q319 VanDerWaalsContact C-N 3.33Å; Q317-Q319 PolarHBondContact O-N 2.81Å
318	N	91.4	Very high	93.2	Very high	45 Å²	45	66.4 Å²	66.4	24%	0.241	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	7.2	-179.8	-66.9	-51.9	0	0	0	114.4	Y314 S316 Q320	Y314-N318 WeakPolarHBondContact CD2-ND2 2.95Å; Y314-N318 WeakPolarHBondContact CE2-ND2 3.46Å; Y314-N318 VanDerWaalsContact CZ-ND2 3.29Å; Y314-N318 WeakPolarHBondContact O-CB 3.37Å; Y314-N318 PolarHBondContact O-N 3.08Å; Y314-N318 PolarHBondContact O-ND2 3.08Å; S316-N318 VanDerWaalsContact C-N 3.35Å; N318-Q320 HydrophobicContact CB-CG 3.91Å; N318-Q320 WeakPolarHBondContact O-CG 3.4Å; N318-Q320 PolarHBondContact O-N 2.94Å; N318-Q320 PolarHBondContact O-NE2 2.92Å
319	Q	90.5	Very high	92.7	Very high	158 Å²	158	67 Å²	67	74%	0.738	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	33.4	-176.8	-56	179.4	-3.2	0	0	113.5	L315 S316 Q317	L315-Q319 PolarHBondContact O-N 2.9Å; S316-Q319 PolarHBondContact O-N 3.3Å; Q317-Q319 VanDerWaalsContact C-N 3.33Å; Q317-Q319 PolarHBondContact O-N 2.81Å
320	Q	92.5	Very high	92.4	Very high	9 Å²	9	62 Å²	62	4%	0.042	29%	0.294	C	S	.	.			trans	-102.7	7.6	-178	-65.9	-59.3	-59.5	0	0	113.2	L284 L315 N318 I322 R323 H332 V333	L284-Q320 VanDerWaalsContact CD2-O 3.27Å; L284-Q320 WeakPolarHBondContact CD2-O 3.36Å; L315-Q320 HydrophobicContact CB-CB 4.49Å; L315-Q320 HydrophobicContact CD2-CB 3.69Å; L315-Q320 PolarHBondContact O-N 3.14Å; N318-Q320 HydrophobicContact CB-CG 3.91Å; N318-Q320 WeakPolarHBondContact O-CG 3.4Å; N318-Q320 PolarHBondContact O-N 2.94Å; N318-Q320 PolarHBondContact O-NE2 2.92Å; Q320-I322 PolarHBondContact O-N 3.39Å; Q320-I322 VanDerWaalsContact O-N 3.12Å; Q320-R323 HydrophobicContact CB-CG 4.22Å; Q320-R323 VanDerWaalsContact O-CG 3.32Å; Q320-R323 WeakPolarHBondContact O-CG 3.21Å; Q320-R323 PolarHBondContact O-N 3.18Å; Q320-H332 PolarHBondContact NE2-O 3.21Å; Q320-H332 PolarHBondContact OE1-O 2.96Å; Q320-V333 PolarHBondContact NE2-O 2.87Å
321	T	92.1	Very high	91.9	Very high	37 Å²	37	61.1 Å²	61.1	23%	0.227	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-15.5	-179.8	51.7	0	0	0	0	114.3	P281 L284 L315	P281-T321 HydrophobicContact CB-CG2 4.49Å; L284-T321 WeakPolarHBondContact CD2-O 3.5Å; L315-T321 HydrophobicContact CB-CG2 4.06Å; L315-T321 PolarHBondContact O-N 2.93Å
322	I	91.3	Very high	91.4	Very high	67 Å²	67	61.4 Å²	61.4	34%	0.344	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	12.6	-179	54.9	148.5	0	0	0	113.3	Q320 G324 W325 H332	Q320-I322 PolarHBondContact O-N 3.39Å; Q320-I322 VanDerWaalsContact O-N 3.12Å; I322-G324 PolarHBondContact O-N 3.44Å; I322-W325 HydrophobicContact CB-CB 4.18Å; I322-W325 VanDerWaalsContact O-CB 3.3Å; I322-W325 WeakPolarHBondContact O-CB 3.39Å; I322-W325 PolarHBondContact O-N 3.27Å; I322-H332 HydrophobicContact CD1-CB 3.99Å; I322-H332 HydrophobicContact CG1-CB 3.93Å; I322-H332 PolarHBondContact O-ND1 2.75Å
323	R	93.3	Very high	90.9	Very high	4 Å²	4	60.5 Å²	60.5	2%	0.015	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55	122.7	174.9	-78.4	178.1	-174.2	174.8	7	110.1	Y280 L284 E301 Q320 W325 H332	Y280-R323 WeakPolarHBondContact CE1-O 3.22Å; Y280-R323 PolarHBondContact OH-O 3.48Å; L284-R323 HydrophobicContact CD1-CB 3.97Å; L284-R323 HydrophobicContact CD2-CB 3.91Å; E301-R323 VanDerWaalsContact CD-NH1 3.3Å; E301-R323 IonicContact OE1-CZ 2.72Å; E301-R323 IonicContact OE1-NH1 3.22Å; E301-R323 PolarHBondContact OE1-NH1 3.48Å; E301-R323 IonicContact OE1-NH2 2.83Å; E301-R323 IonicContact OE2-CZ 2.86Å; E301-R323 IonicContact OE2-NH1 3.45Å; E301-R323 PolarHBondContact OE2-NH1 3.43Å; E301-R323 IonicContact OE2-NH2 3.8Å; E301-R323 PolarHBondContact OE2-NH2 2.82Å; Q320-R323 HydrophobicContact CB-CG 4.22Å; Q320-R323 VanDerWaalsContact O-CG 3.32Å; Q320-R323 WeakPolarHBondContact O-CG 3.21Å; Q320-R323 PolarHBondContact O-N 3.18Å; R323-W325 PolarHBondContact O-N 3.22Å; R323-H332 HydrophobicContact CG-CB 4.45Å
324	G	89.3	Confident	90.4	Very high	3 Å²	3	55 Å²	55	3%	0.031	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.4	5.5	-177.9	0	0	0	0	0	115.4	W46 I49 Y280 I322 R326 H332	W46-G324 PolarHBondContact NE1-O 3.05Å; I49-G324 VanDerWaalsContact CG2-CA 3.47Å; Y280-G324 PolarHBondContact OH-O 3.06Å; Y280-G324 VanDerWaalsContact OH-O 3.11Å; I322-G324 PolarHBondContact O-N 3.44Å; G324-R326 PolarHBondContact O-N 2.79Å; G324-H332 PolarHBondContact N-CE1 2.89Å
325	W	90.8	Very high	89.9	Confident	30 Å²	30	57.7 Å²	57.7	11%	0.114	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-43.9	-179.8	174	-127.4	0	0	0	112.3	Y273 H276 N277 Y280 I322 R323	Y273-W325 HydrophobicContact CE2-CZ2 4.03Å; H276-W325 HydrophobicContact CB-CH2 4.42Å; H276-W325 AromaticContact CD2-CH2 3.38Å; H276-W325 WeakPolarHBondContact CD2-CH2 3.26Å; H276-W325 AromaticContact CD2-CZ3 3.37Å; H276-W325 WeakPolarHBondContact CD2-CZ3 3.31Å; H276-W325 AromaticContact CG-CH2 4Å; H276-W325 AromaticContact NE2-CH2 3.99Å; H276-W325 AromaticContact NE2-CZ3 3.47Å; H276-W325 WeakPolarHBondContact NE2-CZ3 3.32Å; N277-W325 HydrophobicContact CB-CH2 4.42Å; N277-W325 HydrophobicContact CB-CZ2 4.09Å; N277-W325 WeakPolarHBondContact ND2-CZ2 3.45Å; N277-W325 WeakPolarHBondContact OD1-CZ2 3.47Å; N277-W325 PolarHBondContact OD1-NE1 3.34Å; Y280-W325 HydrophobicContact CD1-CB 4.04Å; Y280-W325 HydrophobicContact CD1-CD2 4.39Å; Y280-W325 AromaticContact CD1-CE3 3.87Å; Y280-W325 HydrophobicContact CD1-CE3 3.87Å; Y280-W325 HydrophobicContact CD1-CG 4.48Å; Y280-W325 AromaticContact CD2-CE3 3.37Å; Y280-W325 HydrophobicContact CD2-CE3 3.37Å; Y280-W325 AromaticContact CD2-CZ3 3.66Å; Y280-W325 HydrophobicContact CD2-CZ3 3.66Å; Y280-W325 HydrophobicContact CE1-CB 3.72Å; Y280-W325 HydrophobicContact CE1-CE3 4.23Å; Y280-W325 AromaticContact CE2-CE3 3.74Å; Y280-W325 HydrophobicContact CE2-CE3 3.74Å; Y280-W325 HydrophobicContact CE2-CZ3 4.32Å; Y280-W325 HydrophobicContact CG-CD2 4.28Å; Y280-W325 AromaticContact CG-CE3 3.4Å; Y280-W325 HydrophobicContact CG-CE3 3.4Å; Y280-W325 AromaticContact CG-CZ3 3.86Å; Y280-W325 HydrophobicContact CG-CZ3 3.86Å; Y280-W325 PolarHBondContact OH-N 3.46Å; I322-W325 HydrophobicContact CB-CB 4.18Å; I322-W325 VanDerWaalsContact O-CB 3.3Å; I322-W325 WeakPolarHBondContact O-CB 3.39Å; I322-W325 PolarHBondContact O-N 3.27Å; R323-W325 PolarHBondContact O-N 3.22Å
326	R	90.9	Very high	89.3	Confident	138 Å²	138	64 Å²	64	52%	0.521	32%	0.323	S	S	.	.			trans	-112.7	137.2	-176.4	-59	-176.1	177.4	-175.3	-1.4	110.9	G324 F328 R330	G324-R326 PolarHBondContact O-N 2.79Å; R326-F328 VanDerWaalsContact C-N 3.32Å; R326-F328 VanDerWaalsContact CB-O 3.31Å; R326-F328 WeakPolarHBondContact CB-O 3.3Å; R326-R330 VanDerWaalsContact O-CG 3.3Å; R326-R330 WeakPolarHBondContact O-CG 3.48Å
327	P	87.4	Confident	88.9	Confident	56 Å²	56	63.3 Å²	63.3	36%	0.364	31%	0.31	S	S	.	.	S	Bend	trans	-74.4	-24.6	173.2	27.1	-31.6	0	0	0	112.9	F80	F80-P327 HydrophobicContact CB-CB 3.85Å; F80-P327 WeakPolarHBondContact CB-O 3.47Å; F80-P327 HydrophobicContact CG-CB 4.27Å; F80-P327 PolarHBondContact N-O 3.35Å
328	F	89.8	Confident	88.3	Confident	107 Å²	107	59.6 Å²	59.6	47%	0.469	30%	0.295	S	S	.	.	S	Bend	trans	-117.8	158.7	179.6	-48.5	-75.6	0	0	0	110.7	N79 F81 R326 R330	N79-F328 HydrophobicContact CB-CD1 4.35Å; F81-F328 AromaticContact CD2-CE1 3.98Å; F81-F328 HydrophobicContact CD2-CE1 3.98Å; F81-F328 HydrophobicContact CD2-CZ 4.43Å; F81-F328 AromaticContact CE2-CE1 3.77Å; F81-F328 HydrophobicContact CE2-CE1 3.77Å; F81-F328 AromaticContact CE2-CZ 3.76Å; F81-F328 HydrophobicContact CE2-CZ 3.76Å; R326-F328 VanDerWaalsContact C-N 3.32Å; R326-F328 VanDerWaalsContact CB-O 3.31Å; R326-F328 WeakPolarHBondContact CB-O 3.3Å; F328-R330 VanDerWaalsContact C-N 3.33Å; F328-R330 PolarHBondContact O-N 3.4Å
329	L	85.5	Confident	87.3	Confident	79 Å²	79	60.7 Å²	60.7	41%	0.414	31%	0.305	S	S	.	.	S	Bend	trans	47.4	55.8	176.8	-63.7	174.1	0	0	0	111.9	F61 S331	F61-L329 HydrophobicContact CD1-CD2 3.83Å; F61-L329 HydrophobicContact CD2-CD2 4Å; F61-L329 HydrophobicContact CE1-CD2 3.72Å; F61-L329 HydrophobicContact CE2-CD2 3.91Å; F61-L329 HydrophobicContact CG-CD2 3.96Å; F61-L329 HydrophobicContact CZ-CD2 3.77Å; L329-S331 PolarHBondContact O-N 2.98Å
330	R	90.1	Very high	86.2	Confident	2 Å²	2	62.8 Å²	62.8	1%	0.008	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-75.8	85.6	-174.7	-63.4	-165.6	-58.5	133.1	-4.1	109.9	E54 V76 Y77 P78 R326 F328 H332	E54-R330 VanDerWaalsContact CD-NH1 3.26Å; E54-R330 IonicContact OE1-CZ 3.64Å; E54-R330 IonicContact OE1-NH1 2.71Å; E54-R330 PolarHBondContact OE1-NH1 3.49Å; E54-R330 IonicContact OE1-NH2 3.9Å; E54-R330 IonicContact OE2-CZ 3.93Å; E54-R330 IonicContact OE2-NH1 3.96Å; E54-R330 PolarHBondContact OE2-NH1 2.72Å; E54-R330 VanDerWaalsContact OE2-NH1 3.1Å; E54-R330 IonicContact OE2-NH2 2.64Å; E54-R330 PolarHBondContact OE2-NH2 3.24Å; V76-R330 CarbonylContact C-O 3.6Å; V76-R330 WeakPolarHBondContact CA-O 3.41Å; Y77-R330 PolarHBondContact N-O 3.26Å; P78-R330 VanDerWaalsContact O-CZ 3.27Å; P78-R330 PolarHBondContact O-NE 3.17Å; P78-R330 PolarHBondContact O-NH2 2.83Å; R326-R330 VanDerWaalsContact O-CG 3.3Å; R326-R330 WeakPolarHBondContact O-CG 3.48Å; F328-R330 VanDerWaalsContact C-N 3.33Å; F328-R330 PolarHBondContact O-N 3.4Å; R330-H332 VanDerWaalsContact C-N 3.29Å; R330-H332 PolarHBondContact O-N 2.99Å
331	S	86.3	Confident	84.5	Confident	59 Å²	59	70.2 Å²	70.2	41%	0.413	35%	0.351	S	S	.	.			trans	-80.8	0.9	-174.2	59.2	0	0	0	0	115.1	L329 V333	L329-S331 PolarHBondContact O-N 2.98Å; S331-V333 PolarHBondContact O-N 3.38Å
332	H	86.3	Confident	82.6	Confident	7 Å²	7	78.3 Å²	78.3	3%	0.032	38%	0.383	C	S	.	.			trans	-78.6	50.2	179.3	54.2	-93.5	0	0	0	112.7	E54 Y77 Q320 I322 R323 G324 R330 Q334	E54-H332 IonicContact OE1-NE2 3.84Å; Y77-H332 WeakPolarHBondContact CE2-O 3.3Å; Q320-H332 PolarHBondContact NE2-O 3.21Å; Q320-H332 PolarHBondContact OE1-O 2.96Å; I322-H332 HydrophobicContact CD1-CB 3.99Å; I322-H332 HydrophobicContact CG1-CB 3.93Å; I322-H332 PolarHBondContact O-ND1 2.75Å; R323-H332 HydrophobicContact CG-CB 4.45Å; G324-H332 PolarHBondContact N-CE1 2.89Å; R330-H332 VanDerWaalsContact C-N 3.29Å; R330-H332 PolarHBondContact O-N 2.99Å; H332-Q334 PolarHBondContact O-N 2.99Å
333	V	87.1	Confident	80.2	Confident	16 Å²	16	84 Å²	84	10%	0.097	43%	0.428	C	S	.	.			trans	-67.2	129.9	-176.9	-176.5	0	0	0	0	109.8	P58 Y75 Y77 Q320 S331 H337 L338	P58-V333 HydrophobicContact CB-CG1 3.89Å; P58-V333 HydrophobicContact CB-CG2 3.92Å; P58-V333 HydrophobicContact CG-CG1 3.79Å; Y75-V333 WeakPolarHBondContact O-CG2 3.34Å; Y77-V333 HydrophobicContact CD2-CG2 4.36Å; Y77-V333 HydrophobicContact CE1-CG1 4.49Å; Y77-V333 HydrophobicContact CE2-CB 4.45Å; Y77-V333 HydrophobicContact CE2-CG2 4.38Å; Q320-V333 PolarHBondContact NE2-O 2.87Å; S331-V333 PolarHBondContact O-N 3.38Å; V333-H337 HydrophobicContact CG1-CB 4.33Å; V333-L338 HydrophobicContact CB-CD2 4.33Å; V333-L338 HydrophobicContact CG1-CD2 3.79Å; V333-L338 HydrophobicContact CG1-CG 3.99Å
334	Q	86	Confident	79.5	Confident	20 Å²	20	88 Å²	88	9%	0.093	45%	0.449	C	S	.	.			trans	-76.2	144.7	178.3	-66.6	173.6	-2.3	0	0	109.4	G52 Y77 H332 I336 H337 L338	G52-Q334 PolarHBondContact O-NE2 2.86Å; Y77-Q334 PolarHBondContact OH-N 2.85Å; H332-Q334 PolarHBondContact O-N 2.99Å; Q334-I336 HydrophobicContact CB-CG1 3.92Å; Q334-I336 PolarHBondContact O-N 3.07Å; Q334-I336 VanDerWaalsContact O-N 3.15Å; Q334-H337 PolarHBondContact O-N 2.82Å; Q334-L338 PolarHBondContact O-N 3.25Å
335	Q	84.1	Confident	79	Confident	144 Å²	144	92.4 Å²	92.4	67%	0.673	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-57.1	-34	-177.3	-68.9	-178	-8	0	0	113.1	H337 L338	Q335-H337 PolarHBondContact O-N 2.81Å; Q335-L338 PolarHBondContact O-N 2.88Å
336	I	83.5	Confident	78.4	Confident	135 Å²	135	95.9 Å²	95.9	69%	0.692	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-63.3	-23.7	177.2	58.1	166.5	0	0	0	113.9	Q334	Q334-I336 HydrophobicContact CB-CG1 3.92Å; Q334-I336 PolarHBondContact O-N 3.07Å; Q334-I336 VanDerWaalsContact O-N 3.15Å
337	H	84.3	Confident	77.6	Confident	63 Å²	63	93.4 Å²	93.4	29%	0.292	49%	0.489	S	S	.	.	G	3₁₀ helix	trans	-100.8	-8	-179.2	-62.4	155.2	0	0	0	113	P58 Y77 V333 Q334 Q335	P58-H337 HydrophobicContact CG-CB 4.21Å; P58-H337 WeakPolarHBondContact CG-O 3.34Å; Y77-H337 HydrophobicContact CE1-CB 4.4Å; Y77-H337 AromaticContact CE1-ND1 3.66Å; Y77-H337 AromaticContact CZ-ND1 3.64Å; Y77-H337 PolarHBondContact OH-ND1 2.75Å; V333-H337 HydrophobicContact CG1-CB 4.33Å; Q334-H337 PolarHBondContact O-N 2.82Å; Q335-H337 PolarHBondContact O-N 2.81Å
338	L	81.2	Confident	77	Confident	72 Å²	72	95.8 Å²	95.8	38%	0.377	50%	0.496	S	S	.	.	S	Bend	trans	-68.3	132.2	172.3	-72.5	169.9	0	0	0	108.3	Y75 V333 Q334 Q335 K340	Y75-L338 HydrophobicContact CD2-CD2 3.96Å; Y75-L338 HydrophobicContact CG-CD2 4.14Å; V333-L338 HydrophobicContact CB-CD2 4.33Å; V333-L338 HydrophobicContact CG1-CD2 3.79Å; V333-L338 HydrophobicContact CG1-CG 3.99Å; Q334-L338 PolarHBondContact O-N 3.25Å; Q335-L338 PolarHBondContact O-N 2.88Å; L338-K340 PolarHBondContact O-N 2.97Å
339	P	71.9	Confident	76.2	Confident	68 Å²	68	95 Å²	95	44%	0.442	50%	0.498	S	S	.	.			trans	-56.8	128.8	170.8	23.7	-30.5	0	0	0	107.4	Y75 L341	Y75-P339 HydrophobicContact CE1-CG 3.87Å; Y75-P339 HydrophobicContact CE2-CG 4.29Å; P339-L341 PolarHBondContact O-N 3.43Å
340	K	67.4	Low	75.5	Confident	203 Å²	203	96.1 Å²	96.1	88%	0.883	50%	0.504	S	S	*	.			trans	-54.9	112.3	167.6	-68.1	-176.8	-179.8	-178.5	0	105.4	L338 K342	L338-K340 PolarHBondContact O-N 2.97Å; K340-K342 PolarHBondContact O-N 3.24Å
341	L	55.5	Low	74.4	Confident	165 Å²	165	103.4 Å²	103.4	86%	0.864	54%	0.542	S	S	*	.			trans	-48.8	119.7	167.3	-80.2	153.6	0	0	0	104.8	P339 S343	P339-L341 PolarHBondContact O-N 3.43Å; L341-S343 VanDerWaalsContact C-N 3.25Å; L341-S343 PolarHBondContact O-N 3.23Å
342	K	52.5	Low	73.4	Confident	207 Å²	207	107.1 Å²	107.1	90%	0.9	55%	0.553	S	S	*	*			trans	-57.7	103.8	166.6	-76.5	-177.8	176	-178	0	104.5	K340	K340-K342 PolarHBondContact O-N 3.24Å
343	S	40.9	Very low	72.2	Confident	185 Å²	185	116.2 Å²	116.2	100%	1.294	60%	0.601	S	S	*	*			trans	-59.4	0	166.6	55.8	0	0	0	0	109.4	L341	L341-S343 VanDerWaalsContact C-N 3.25Å; L341-S343 PolarHBondContact O-N 3.23Å

Retrieved 343 of 343 residues in 169.6 ms (Link to these results)

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