A0A077YW28_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YW28, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 320 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	22.2	Very low	24.4	Very low	228 Å²	228	154.9 Å²	154.9	100%	1.123	79%	0.79	S	S	*	*				0	124.2	0	-71.8	173.8	103.1	0	0	105.6
2	W	23.1	Very low	25.1	Very low	207 Å²	207	151.3 Å²	151.3	78%	0.784	78%	0.78	S	S	*	*			cis	-156.5	143.4	35.4	-104.6	8.6	0	0	0	107.1
3	S	21.3	Very low	25.5	Very low	78 Å²	78	150.8 Å²	150.8	55%	0.545	79%	0.789	S	S	.	*				57.1	109	82.4	-162.8	0	0	0	0	114.4
4	H	22.2	Very low	26.3	Very low	151 Å²	151	148.1 Å²	148.1	70%	0.699	78%	0.781	S	S	*	*				175.5	140.5	103.4	-91.6	-63.6	0	0	0	112.7
5	S	23.5	Very low	26.8	Very low	103 Å²	103	143.5 Å²	143.5	72%	0.72	77%	0.773	S	S	*	*			trans	-46.7	143	165.3	-46.3	0	0	0	0	113.7
6	F	25.1	Very low	27.3	Very low	196 Å²	196	144.4 Å²	144.4	86%	0.86	78%	0.776	S	S	*	*			trans	-153.1	115.8	141.6	-110.4	-82.7	0	0	0	110.3
7	L	23.5	Very low	27.9	Very low	152 Å²	152	144.8 Å²	144.8	80%	0.796	78%	0.777	S	S	*	*			trans	-61.7	125.3	155.3	-83	150	0	0	0	108.1
8	L	30	Very low	28.5	Very low	144 Å²	144	143 Å²	143	75%	0.754	77%	0.772	S	S	*	*			trans	-140.2	111.5	154.9	-95.3	167.8	0	0	0	109.3	F10	L8-F10 PolarHBondContact O-N 2.63Å
9	F	22.5	Very low	29.2	Very low	186 Å²	186	143.7 Å²	143.7	82%	0.816	78%	0.775	S	S	*	*			trans	-53.6	120.7	159.2	-81.2	-103.7	0	0	0	109.7
10	F	30.9	Very low	29.8	Very low	182 Å²	182	140.6 Å²	140.6	80%	0.798	77%	0.765	S	S	*	*			trans	-130.8	107.1	144.1	-91.6	-81.9	0	0	0	107.6	L8 V12	L8-F10 PolarHBondContact O-N 2.63Å; F10-V12 PolarHBondContact O-N 3.43Å; F10-V12 VanDerWaalsContact O-N 3.11Å
11	G	24.6	Very low	30.3	Very low	77 Å²	77	140.7 Å²	140.7	79%	0.794	77%	0.77	S	S	*	*			trans	-62.4	108.3	162.5	0	0	0	0	0	108.1
12	V	32.6	Very low	31.3	Very low	111 Å²	111	133.7 Å²	133.7	67%	0.673	74%	0.743	S	S	*	*			trans	-108.6	105.6	150.5	-176.8	0	0	0	0	103.8	F10 V14	F10-V12 PolarHBondContact O-N 3.43Å; F10-V12 VanDerWaalsContact O-N 3.11Å; V12-V14 HydrophobicContact CB-CG2 4.23Å; V12-V14 HydrophobicContact CG1-CG2 3.68Å; V12-V14 PolarHBondContact O-N 3.1Å
13	T	29.6	Very low	32.6	Very low	145 Å²	145	132 Å²	132	89%	0.89	74%	0.744	S	S	*	*			trans	-56.4	81.4	152.4	31.8	0	0	0	0	106.8	A15	T13-A15 VanDerWaalsContact C-N 3.3Å; T13-A15 PolarHBondContact O-N 3.18Å; T13-A15 VanDerWaalsContact O-N 3.08Å
14	V	36.7	Very low	34.2	Very low	113 Å²	113	131.6 Å²	131.6	69%	0.685	74%	0.738	S	S	*	*			trans	-67.5	104.6	158.7	177.5	0	0	0	0	102.6	V12 L16	V12-V14 HydrophobicContact CB-CG2 4.23Å; V12-V14 HydrophobicContact CG1-CG2 3.68Å; V12-V14 PolarHBondContact O-N 3.1Å; V14-L16 PolarHBondContact O-N 3.01Å
15	A	33.5	Very low	36.1	Very low	79 Å²	79	126.2 Å²	126.2	65%	0.653	72%	0.717	S	S	*	*			trans	-41.9	113.7	161.7	0	0	0	0	0	106.2	T13 L17	T13-A15 VanDerWaalsContact C-N 3.3Å; T13-A15 PolarHBondContact O-N 3.18Å; T13-A15 VanDerWaalsContact O-N 3.08Å; A15-L17 PolarHBondContact O-N 3.14Å
16	L	34.9	Very low	39.1	Very low	159 Å²	159	125.2 Å²	125.2	83%	0.832	70%	0.704	S	S	*	*			trans	-58.9	89.5	161	-90	101.1	0	0	0	104.4	V14 T18	V14-L16 PolarHBondContact O-N 3.01Å; L16-T18 PolarHBondContact O-N 2.93Å
17	L	38.2	Very low	42.3	Very low	150 Å²	150	116 Å²	116	79%	0.785	66%	0.663	S	S	*	*			trans	-52.4	93.9	135.7	-78.6	160	0	0	0	103	A15 L19	A15-L17 PolarHBondContact O-N 3.14Å; L17-L19 PolarHBondContact O-N 3.32Å
18	T	38.3	Very low	45.7	Very low	113 Å²	113	109 Å²	109	69%	0.693	63%	0.628	S	S	*	*			trans	-42.1	88.7	141.9	49	0	0	0	0	104.9	L16 S20	L16-T18 PolarHBondContact O-N 2.93Å; T18-S20 PolarHBondContact O-N 3.05Å
19	L	42.6	Very low	48.7	Very low	156 Å²	156	108.1 Å²	108.1	82%	0.817	62%	0.618	S	S	*	*			trans	-54.1	90.8	143.6	-82.3	138.8	0	0	0	101.4	L17 T21	L17-L19 PolarHBondContact O-N 3.32Å; L19-T21 PolarHBondContact O-N 3.36Å
20	S	40.2	Very low	52.1	Low	82 Å²	82	100.1 Å²	100.1	57%	0.573	58%	0.583	S	S	*	*			trans	-36.3	129.4	146.6	30.3	0	0	0	0	104	T18 S22	T18-S20 PolarHBondContact O-N 3.05Å; S20-S22 PolarHBondContact O-N 3.36Å; S20-S22 PolarHBondContact O-OG 2.82Å
21	T	41	Very low	55.1	Low	143 Å²	143	91.5 Å²	91.5	88%	0.877	55%	0.546	S	S	*	.			trans	-63.9	49.7	164.6	50.9	0	0	0	0	108.3	L19 E23	L19-T21 PolarHBondContact O-N 3.36Å; T21-E23 PolarHBondContact O-N 3.47Å
22	S	44.2	Very low	58.4	Low	80 Å²	80	91.7 Å²	91.7	56%	0.559	53%	0.529	S	S	*	.			trans	-56.9	113.6	166.2	57.8	0	0	0	0	102.8	S20 T24	S20-S22 PolarHBondContact O-N 3.36Å; S20-S22 PolarHBondContact O-OG 2.82Å; S22-T24 PolarHBondContact O-N 2.86Å; S22-T24 VanDerWaalsContact O-N 3.1Å
23	E	49.3	Very low	61.3	Low	171 Å²	171	93 Å²	93	80%	0.799	53%	0.525	S	S	*	.			trans	-9.2	112.3	155.7	-61.9	172.1	159	0	0	108.6	T21 P25	T21-E23 PolarHBondContact O-N 3.47Å; E23-P25 VanDerWaalsContact C-N 3.3Å; E23-P25 WeakPolarHBondContact O-CD 3.41Å
24	T	55.2	Low	64.4	Low	70 Å²	70	87.1 Å²	87.1	43%	0.429	49%	0.487	S	S	.	.			trans	-47.9	110.4	164.7	28.6	0	0	0	0	104	S22 D26 W251	S22-T24 PolarHBondContact O-N 2.86Å; S22-T24 VanDerWaalsContact O-N 3.1Å; T24-D26 PolarHBondContact O-N 3.24Å; T24-W251 HydrophobicContact CG2-CZ2 4.09Å
25	P	62.8	Low	67.1	Low	39 Å²	39	81.9 Å²	81.9	25%	0.253	46%	0.455	S	S	.	.			trans	-59.4	144.1	-172	-13.4	23.5	0	0	0	105.9	E23 C27 P247	E23-P25 VanDerWaalsContact C-N 3.3Å; E23-P25 WeakPolarHBondContact O-CD 3.41Å; P25-C27 WeakPolarHBondContact O-CB 3.41Å; P25-C27 PolarHBondContact O-N 3.18Å; P25-C27 PolarHBondContact O-SG 3.25Å; P25-P247 HydrophobicContact CB-CB 4.38Å; P25-P247 HydrophobicContact CG-CB 4.02Å
26	D	84.7	Confident	69.9	Low	82 Å²	82	80.2 Å²	80.2	44%	0.439	44%	0.441	S	S	.	.			trans	-60.9	81.2	174.8	177.6	16.2	0	0	0	108.4	T24 K29 R245	T24-D26 PolarHBondContact O-N 3.24Å; D26-K29 IonicContact OD2-NZ 3.81Å; D26-K29 PolarHBondContact OD2-NZ 2.94Å; D26-K29 VanDerWaalsContact OD2-NZ 3.17Å; D26-R245 PolarHBondContact O-NH2 3.27Å
27	C	93.2	Very high	72.8	Confident	1 Å²	1	74.4 Å²	74.4	1%	0.007	41%	0.414	C	S	.	.			trans	-100.9	-6.3	-173.3	-68.5	0	0	0	0	111.2	P25 K29 D30 I31 C248 W251	P25-C27 WeakPolarHBondContact O-CB 3.41Å; P25-C27 PolarHBondContact O-N 3.18Å; P25-C27 PolarHBondContact O-SG 3.25Å; C27-K29 VanDerWaalsContact C-N 3.28Å; C27-K29 PolarHBondContact O-N 2.83Å; C27-D30 PolarHBondContact O-N 3.42Å; C27-D30 VanDerWaalsContact O-N 3.08Å; C27-I31 WeakPolarHBondContact O-CD1 3.39Å; C27-I31 VanDerWaalsContact O-CG1 3.3Å; C27-I31 WeakPolarHBondContact O-CG1 3.39Å; C27-I31 PolarHBondContact O-N 3.45Å; C27-C248 WeakPolarHBondContact CA-SG 3.23Å; C27-C248 HydrophobicContact CB-CB 3.63Å; C27-C248 WeakPolarHBondContact CB-SG 3.39Å; C27-C248 WeakPolarHBondContact SG-CA 3.33Å; C27-C248 WeakPolarHBondContact SG-CB 3.25Å; C27-C248 CovalentContact SG-SG 2.04Å; C27-C248 PolarHBondContact SG-SG 3.43Å; C27-W251 HydrophobicContact CB-CB 4.1Å; C27-W251 HydrophobicContact CB-CG 4.29Å; C27-W251 VanDerWaalsContact SG-CD1 3.56Å
28	A	94.1	Very high	75.3	Confident	7 Å²	7	67.5 Å²	67.5	6%	0.058	38%	0.378	C	S	.	.	H	α-helix	trans	-56.1	-45	177.2	0	0	0	0	0	111.3	D30 I31 D32 V147 P148 G149	A28-D30 VanDerWaalsContact C-N 3.34Å; A28-D30 PolarHBondContact O-N 3.05Å; A28-I31 PolarHBondContact O-N 3.12Å; A28-D32 PolarHBondContact O-N 3.3Å; A28-V147 HydrophobicContact CB-CG1 4.25Å; A28-P148 WeakPolarHBondContact CB-O 3.45Å; A28-G149 WeakPolarHBondContact CB-O 3.4Å
29	K	93.2	Very high	77.8	Confident	125 Å²	125	65.3 Å²	65.3	54%	0.543	36%	0.359	S	S	.	.	H	α-helix	trans	-65.4	-35.1	175.7	-70	173.6	-174.6	142.5	0	113	D26 C27 K33	D26-K29 IonicContact OD2-NZ 3.81Å; D26-K29 PolarHBondContact OD2-NZ 2.94Å; D26-K29 VanDerWaalsContact OD2-NZ 3.17Å; C27-K29 VanDerWaalsContact C-N 3.28Å; C27-K29 PolarHBondContact O-N 2.83Å; K29-K33 WeakPolarHBondContact O-CB 3.17Å; K29-K33 VanDerWaalsContact O-CG 3.22Å; K29-K33 WeakPolarHBondContact O-CG 3.33Å; K29-K33 PolarHBondContact O-N 3.31Å
30	D	94.3	Very high	80.1	Confident	17 Å²	17	61.5 Å²	61.5	9%	0.091	34%	0.342	C	S	.	.	H	α-helix	trans	-70.4	-37.9	177.5	-70.3	-91.1	0	0	0	111.4	C27 A28 F34 T244 R245 C248	C27-D30 PolarHBondContact O-N 3.42Å; C27-D30 VanDerWaalsContact O-N 3.08Å; A28-D30 VanDerWaalsContact C-N 3.34Å; A28-D30 PolarHBondContact O-N 3.05Å; D30-F34 WeakPolarHBondContact O-CB 3.49Å; D30-F34 PolarHBondContact O-N 2.98Å; D30-T244 HydrophobicContact CB-CG2 3.94Å; D30-R245 WeakPolarHBondContact OD1-CG 3.32Å; D30-R245 IonicContact OD1-NE 3.62Å; D30-R245 PolarHBondContact OD1-NE 3.09Å; D30-R245 VanDerWaalsContact OD1-NE 3.1Å; D30-R245 IonicContact OD2-CZ 3.58Å; D30-R245 VanDerWaalsContact OD2-CZ 3.28Å; D30-R245 IonicContact OD2-NE 3.42Å; D30-R245 PolarHBondContact OD2-NE 3.16Å; D30-R245 IonicContact OD2-NH2 2.86Å; D30-R245 PolarHBondContact OD2-NH2 3.3Å; D30-C248 HydrophobicContact CB-CB 3.77Å
31	I	94.1	Very high	82.6	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-63.9	-46.7	173.1	-67.9	157.3	0	0	0	110.8	C27 A28 F34 Y35 V147 F150 W251 V252 T255	C27-I31 WeakPolarHBondContact O-CD1 3.39Å; C27-I31 VanDerWaalsContact O-CG1 3.3Å; C27-I31 WeakPolarHBondContact O-CG1 3.39Å; C27-I31 PolarHBondContact O-N 3.45Å; A28-I31 PolarHBondContact O-N 3.12Å; I31-F34 WeakPolarHBondContact O-CB 3.47Å; I31-F34 PolarHBondContact O-N 2.04Å; I31-Y35 HydrophobicContact CG2-CD2 3.96Å; I31-Y35 HydrophobicContact CG2-CE2 3.89Å; I31-Y35 VanDerWaalsContact O-CD2 3.3Å; I31-Y35 WeakPolarHBondContact O-CD2 3.44Å; I31-Y35 PolarHBondContact O-N 3.43Å; I31-Y35 VanDerWaalsContact O-N 3.12Å; I31-V147 HydrophobicContact CD1-CG1 3.72Å; I31-F150 HydrophobicContact CG2-CD2 4.33Å; I31-F150 HydrophobicContact CG2-CE2 4.04Å; I31-W251 HydrophobicContact CD1-CB 4.26Å; I31-V252 HydrophobicContact CG1-CG2 4.08Å; I31-T255 VanDerWaalsContact CD1-OG1 3.22Å; I31-T255 WeakPolarHBondContact CD1-OG1 3.47Å; I31-T255 HydrophobicContact CG2-CG2 4.17Å
32	D	93.4	Very high	84.8	Confident	82 Å²	82	53.7 Å²	53.7	44%	0.439	29%	0.286	S	S	.	.	H	α-helix	trans	-58.5	-50.1	176.5	-179	58.2	0	0	0	111.3	A28 F34 Y35 A36	A28-D32 PolarHBondContact O-N 3.3Å; D32-F34 VanDerWaalsContact C-N 3.29Å; D32-F34 PolarHBondContact O-N 3.27Å; D32-Y35 PolarHBondContact O-N 2.9Å; D32-A36 WeakPolarHBondContact O-CB 3.35Å; D32-A36 PolarHBondContact O-N 2.59Å
33	K	94.4	Very high	86.9	Confident	139 Å²	139	51.6 Å²	51.6	60%	0.604	27%	0.268	S	S	*	.	H	α-helix	trans	-59.1	-37.5	175.4	-75.7	174.5	-178.6	-179	0	113.2	K29 C37	K29-K33 WeakPolarHBondContact O-CB 3.17Å; K29-K33 VanDerWaalsContact O-CG 3.22Å; K29-K33 WeakPolarHBondContact O-CG 3.33Å; K29-K33 PolarHBondContact O-N 3.31Å; K33-C37 WeakPolarHBondContact O-CB 3.06Å; K33-C37 PolarHBondContact O-N 3.47Å
34	F	94.3	Very high	88.7	Confident	21 Å²	21	47.6 Å²	47.6	9%	0.092	25%	0.252	C	S	.	.	H	α-helix	trans	-59.9	-51.5	175.6	167.7	-94.5	0	0	0	110.9	D30 I31 D32 C37 V38 G237 C240 H241 V252	D30-F34 WeakPolarHBondContact O-CB 3.49Å; D30-F34 PolarHBondContact O-N 2.98Å; I31-F34 WeakPolarHBondContact O-CB 3.47Å; I31-F34 PolarHBondContact O-N 2.04Å; D32-F34 VanDerWaalsContact C-N 3.29Å; D32-F34 PolarHBondContact O-N 3.27Å; F34-C37 WeakPolarHBondContact O-CB 3.18Å; F34-C37 PolarHBondContact O-N 3Å; F34-V38 HydrophobicContact CD2-CG2 4.48Å; F34-V38 HydrophobicContact CE1-CG2 4.14Å; F34-V38 HydrophobicContact CE2-CG2 4.04Å; F34-V38 HydrophobicContact CZ-CG2 3.86Å; F34-V38 WeakPolarHBondContact O-CG2 3.3Å; F34-V38 PolarHBondContact O-N 3.23Å; F34-G237 WeakPolarHBondContact CE2-O 2.87Å; F34-C240 HydrophobicContact CD2-CB 3.79Å; F34-C240 HydrophobicContact CE2-CB 3.96Å; F34-H241 HydrophobicContact CD2-CB 4.37Å; F34-H241 HydrophobicContact CE2-CB 3.92Å; F34-V252 HydrophobicContact CB-CG1 4.18Å; F34-V252 HydrophobicContact CB-CG2 4.09Å; F34-V252 HydrophobicContact CD1-CG1 3.44Å; F34-V252 VanDerWaalsContact CD1-CG1 3.44Å; F34-V252 HydrophobicContact CD2-CG1 3.68Å; F34-V252 HydrophobicContact CE1-CG1 3.63Å; F34-V252 HydrophobicContact CE2-CG1 3.86Å; F34-V252 HydrophobicContact CG-CG1 3.46Å; F34-V252 VanDerWaalsContact CG-CG1 3.46Å; F34-V252 HydrophobicContact CG-CG2 4.27Å; F34-V252 HydrophobicContact CZ-CG1 3.83Å
35	Y	93	Very high	90.2	Very high	2 Å²	2	47 Å²	47	1%	0.008	25%	0.245	C	C	.	.	H	α-helix	trans	-68.9	-35.4	-179.1	-77.3	-70.3	0	0	0	112.9	I31 D32 V38 K39 P153 Y154 L158 P159 R256	I31-Y35 HydrophobicContact CG2-CD2 3.96Å; I31-Y35 HydrophobicContact CG2-CE2 3.89Å; I31-Y35 VanDerWaalsContact O-CD2 3.3Å; I31-Y35 WeakPolarHBondContact O-CD2 3.44Å; I31-Y35 PolarHBondContact O-N 3.43Å; I31-Y35 VanDerWaalsContact O-N 3.12Å; D32-Y35 PolarHBondContact O-N 2.9Å; Y35-V38 PolarHBondContact O-N 3.16Å; Y35-K39 WeakPolarHBondContact O-CB 3.45Å; Y35-K39 PolarHBondContact O-N 3.35Å; Y35-P153 HydrophobicContact CD1-CG 4.49Å; Y35-P153 HydrophobicContact CD2-CG 3.99Å; Y35-P153 HydrophobicContact CG-CB 4.44Å; Y35-P153 HydrophobicContact CG-CG 3.84Å; Y35-Y154 PolarHBondContact O-OH 3.46Å; Y35-L158 HydrophobicContact CD2-CD2 4.2Å; Y35-L158 HydrophobicContact CE2-CD2 3.58Å; Y35-P159 HydrophobicContact CD1-CG 3.51Å; Y35-P159 HydrophobicContact CE1-CG 3.76Å; Y35-R256 PolarHBondContact OH-NE 3.38Å
36	A	93.1	Very high	91.2	Very high	44 Å²	44	45.6 Å²	45.6	36%	0.364	24%	0.235	S	C	.	.	H	α-helix	trans	-62.3	-45.7	172	0	0	0	0	0	111.4	D32 V38 K39 T40	D32-A36 WeakPolarHBondContact O-CB 3.35Å; D32-A36 PolarHBondContact O-N 2.59Å; A36-V38 PolarHBondContact O-N 2.69Å; A36-K39 PolarHBondContact O-N 3.07Å; A36-T40 PolarHBondContact O-N 2.9Å; A36-T40 PolarHBondContact O-OG1 3.13Å; A36-T40 VanDerWaalsContact O-OG1 3.09Å
37	C	94.6	Very high	91.1	Very high	37 Å²	37	46 Å²	46	25%	0.25	24%	0.24	C	C	.	.	H	α-helix	trans	-58.3	-46.5	175.7	173.1	0	0	0	0	112	K33 F34 K39 K41 C240	K33-C37 WeakPolarHBondContact O-CB 3.06Å; K33-C37 PolarHBondContact O-N 3.47Å; F34-C37 WeakPolarHBondContact O-CB 3.18Å; F34-C37 PolarHBondContact O-N 3Å; C37-K39 VanDerWaalsContact C-N 3.34Å; C37-K39 PolarHBondContact O-N 3.41Å; C37-K41 WeakPolarHBondContact O-CB 3.1Å; C37-K41 PolarHBondContact O-N 3.12Å; C37-K41 VanDerWaalsContact O-N 3.11Å; C37-C240 HydrophobicContact CB-CB 3.74Å; C37-C240 WeakPolarHBondContact CB-SG 2.87Å; C37-C240 VanDerWaalsContact SG-CA 3.58Å; C37-C240 WeakPolarHBondContact SG-CB 3.16Å; C37-C240 CovalentContact SG-SG 2.05Å; C37-C240 PolarHBondContact SG-SG 3.17Å
38	V	91.5	Very high	90.6	Very high	6 Å²	6	51.4 Å²	51.4	4%	0.036	26%	0.264	C	S	.	.	H	α-helix	trans	-61.8	-45.8	179.6	173.9	0	0	0	0	110.5	F34 Y35 A36 Y42 Y164 L233 V236 C240	F34-V38 HydrophobicContact CD2-CG2 4.48Å; F34-V38 HydrophobicContact CE1-CG2 4.14Å; F34-V38 HydrophobicContact CE2-CG2 4.04Å; F34-V38 HydrophobicContact CZ-CG2 3.86Å; F34-V38 WeakPolarHBondContact O-CG2 3.3Å; F34-V38 PolarHBondContact O-N 3.23Å; Y35-V38 PolarHBondContact O-N 3.16Å; A36-V38 PolarHBondContact O-N 2.69Å; V38-Y42 VanDerWaalsContact O-CB 3.28Å; V38-Y42 WeakPolarHBondContact O-CB 3.39Å; V38-Y42 PolarHBondContact O-N 2.74Å; V38-Y164 HydrophobicContact CG1-CE1 4.49Å; V38-Y164 WeakPolarHBondContact CG1-OH 3.44Å; V38-L233 HydrophobicContact CG1-CD1 3.49Å; V38-L233 VanDerWaalsContact CG1-CD1 3.49Å; V38-V236 HydrophobicContact CB-CG1 4.25Å; V38-V236 HydrophobicContact CG1-CG1 4.14Å; V38-V236 HydrophobicContact CG2-CG1 4.29Å; V38-C240 HydrophobicContact CG2-CB 3.87Å; V38-C240 PolarHBondContact N-SG 2.9Å; V38-C240 VanDerWaalsContact N-SG 3.38Å
39	K	90.1	Very high	89.5	Confident	66 Å²	66	53.1 Å²	53.1	29%	0.287	27%	0.271	S	S	.	.	H	α-helix	trans	-65.6	-49.5	-179.4	-167.5	-142.8	-170	-61.1	0	112.5	Y35 A36 C37 K41 Y42 D43 Y154	Y35-K39 WeakPolarHBondContact O-CB 3.45Å; Y35-K39 PolarHBondContact O-N 3.35Å; A36-K39 PolarHBondContact O-N 3.07Å; C37-K39 VanDerWaalsContact C-N 3.34Å; C37-K39 PolarHBondContact O-N 3.41Å; K39-K41 VanDerWaalsContact C-N 3.33Å; K39-K41 PolarHBondContact O-N 3.34Å; K39-Y42 WeakPolarHBondContact O-CB 3.43Å; K39-Y42 PolarHBondContact O-N 3.08Å; K39-Y42 VanDerWaalsContact O-N 3.08Å; K39-D43 IonicContact NZ-OD1 3.1Å; K39-D43 PolarHBondContact NZ-OD1 3.28Å; K39-D43 IonicContact NZ-OD2 3.06Å; K39-D43 PolarHBondContact NZ-OD2 3.45Å; K39-D43 WeakPolarHBondContact O-CB 3.4Å; K39-D43 PolarHBondContact O-N 3.29Å; K39-Y154 WeakPolarHBondContact CB-OH 3.49Å; K39-Y154 HydrophobicContact CD-CE1 3.71Å; K39-Y154 WeakPolarHBondContact CD-OH 3.17Å; K39-Y154 HydrophobicContact CG-CE1 4.26Å; K39-Y154 WeakPolarHBondContact CG-OH 3.11Å
40	T	92.2	Very high	88.3	Confident	77 Å²	77	48.5 Å²	48.5	47%	0.472	25%	0.251	S	S	.	.	H	α-helix	trans	-55.6	-48.7	178.1	-61.2	0	0	0	0	111.3	A36 Y42 D43 D44	A36-T40 PolarHBondContact O-N 2.9Å; A36-T40 PolarHBondContact O-OG1 3.13Å; A36-T40 VanDerWaalsContact O-OG1 3.09Å; T40-Y42 VanDerWaalsContact C-N 3.3Å; T40-Y42 PolarHBondContact O-N 3.37Å; T40-D43 PolarHBondContact O-N 2.91Å; T40-D44 WeakPolarHBondContact O-CB 3.28Å; T40-D44 PolarHBondContact O-N 2.91Å
41	K	91.2	Very high	87.4	Confident	58 Å²	58	50.8 Å²	50.8	25%	0.252	26%	0.263	S	S	.	.	H	α-helix	trans	-65.2	-34.1	178.5	-77.5	173.9	171.7	-83	0	112.8	C37 K39 E45 V236 E239	C37-K41 WeakPolarHBondContact O-CB 3.1Å; C37-K41 PolarHBondContact O-N 3.12Å; C37-K41 VanDerWaalsContact O-N 3.11Å; K39-K41 VanDerWaalsContact C-N 3.33Å; K39-K41 PolarHBondContact O-N 3.34Å; K41-E45 WeakPolarHBondContact O-CG 3.04Å; K41-E45 PolarHBondContact O-N 3.46Å; K41-V236 HydrophobicContact CB-CB 4.42Å; K41-V236 HydrophobicContact CB-CG1 3.58Å; K41-V236 HydrophobicContact CB-CG2 3.91Å; K41-V236 HydrophobicContact CD-CG1 3.83Å; K41-V236 HydrophobicContact CD-CG2 4.34Å; K41-V236 HydrophobicContact CG-CG1 4.36Å; K41-E239 VanDerWaalsContact CE-OE1 3.3Å; K41-E239 WeakPolarHBondContact CE-OE1 3.43Å; K41-E239 WeakPolarHBondContact CE-OE2 3.45Å; K41-E239 IonicContact NZ-OE1 2.86Å; K41-E239 PolarHBondContact NZ-OE1 3.44Å; K41-E239 IonicContact NZ-OE2 2.98Å; K41-E239 PolarHBondContact NZ-OE2 3.36Å
42	Y	87.3	Confident	86.7	Confident	2 Å²	2	56.4 Å²	56.4	1%	0.008	29%	0.29	C	S	.	.	H	α-helix	trans	-69.2	-48.8	175.7	-169	-97.2	0	0	0	111.4	V38 K39 T40 D44 E45 I46 Y164 T168 T229 L233	V38-Y42 VanDerWaalsContact O-CB 3.28Å; V38-Y42 WeakPolarHBondContact O-CB 3.39Å; V38-Y42 PolarHBondContact O-N 2.74Å; K39-Y42 WeakPolarHBondContact O-CB 3.43Å; K39-Y42 PolarHBondContact O-N 3.08Å; K39-Y42 VanDerWaalsContact O-N 3.08Å; T40-Y42 VanDerWaalsContact C-N 3.3Å; T40-Y42 PolarHBondContact O-N 3.37Å; Y42-D44 VanDerWaalsContact C-N 3.28Å; Y42-D44 PolarHBondContact O-N 3.21Å; Y42-E45 WeakPolarHBondContact O-CB 3.42Å; Y42-E45 PolarHBondContact O-N 3.12Å; Y42-I46 HydrophobicContact CD1-CD1 4.44Å; Y42-I46 HydrophobicContact CD1-CG1 3.86Å; Y42-I46 HydrophobicContact CE1-CD1 3.8Å; Y42-I46 HydrophobicContact CE1-CG1 3.68Å; Y42-I46 WeakPolarHBondContact O-CG1 3.39Å; Y42-I46 PolarHBondContact O-N 3.45Å; Y42-Y164 AromaticContact CD1-CD1 3.49Å; Y42-Y164 HydrophobicContact CD1-CD1 3.49Å; Y42-Y164 VanDerWaalsContact CD1-CD1 3.49Å; Y42-Y164 HydrophobicContact CD1-CE1 4.21Å; Y42-Y164 HydrophobicContact CD1-CG 4.36Å; Y42-Y164 HydrophobicContact CD2-CD1 4.19Å; Y42-Y164 AromaticContact CE1-CD1 3.72Å; Y42-Y164 HydrophobicContact CE1-CD1 3.72Å; Y42-Y164 HydrophobicContact CE1-CG 4.2Å; Y42-Y164 HydrophobicContact CE2-CD1 4.38Å; Y42-Y164 HydrophobicContact CE2-CG 4.45Å; Y42-Y164 AromaticContact CG-CD1 3.72Å; Y42-Y164 HydrophobicContact CG-CD1 3.72Å; Y42-Y164 HydrophobicContact CG-CE1 4.17Å; Y42-Y164 PolarHBondContact OH-O 3.41Å; Y42-T168 PolarHBondContact OH-OG1 2.91Å; Y42-T229 HydrophobicContact CD2-CG2 4.27Å; Y42-T229 HydrophobicContact CE2-CG2 3.52Å; Y42-L233 HydrophobicContact CD2-CB 4.38Å; Y42-L233 HydrophobicContact CD2-CD1 3.78Å; Y42-L233 HydrophobicContact CE2-CB 4.38Å; Y42-L233 HydrophobicContact CE2-CD1 4.3Å; Y42-L233 HydrophobicContact CG-CD1 4.37Å
43	D	87.9	Confident	86.2	Confident	37 Å²	37	59.7 Å²	59.7	20%	0.198	30%	0.3	C	S	.	.	H	α-helix	trans	-56.7	-42.4	176.4	-63.8	-13.8	0	0	0	110.7	K39 T40 E45 I46 V47 H167	K39-D43 IonicContact NZ-OD1 3.1Å; K39-D43 PolarHBondContact NZ-OD1 3.28Å; K39-D43 IonicContact NZ-OD2 3.06Å; K39-D43 PolarHBondContact NZ-OD2 3.45Å; K39-D43 WeakPolarHBondContact O-CB 3.4Å; K39-D43 PolarHBondContact O-N 3.29Å; T40-D43 PolarHBondContact O-N 2.91Å; D43-E45 VanDerWaalsContact C-N 3.26Å; D43-E45 PolarHBondContact O-N 3.19Å; D43-I46 CarbonylContact O-C 3.6Å; D43-I46 WeakPolarHBondContact O-CB 2.99Å; D43-I46 PolarHBondContact O-N 2.97Å; D43-I46 VanDerWaalsContact O-N 3.09Å; D43-V47 WeakPolarHBondContact O-CG2 3.27Å; D43-V47 PolarHBondContact O-N 3.39Å; D43-H167 IonicContact OD1-CD2 2.64Å; D43-H167 IonicContact OD1-NE2 2.8Å
44	D	89	Confident	85.7	Confident	87 Å²	87	58 Å²	58	47%	0.465	29%	0.293	S	S	.	.	H	α-helix	trans	-59.1	-36.2	176.2	-73	-19	0	0	0	112.4	T40 Y42 K48	T40-D44 WeakPolarHBondContact O-CB 3.28Å; T40-D44 PolarHBondContact O-N 2.91Å; Y42-D44 VanDerWaalsContact C-N 3.28Å; Y42-D44 PolarHBondContact O-N 3.21Å; D44-K48 WeakPolarHBondContact O-CG 3.32Å; D44-K48 PolarHBondContact O-N 2.82Å
45	E	85.3	Confident	85.4	Confident	58 Å²	58	59.1 Å²	59.1	27%	0.271	30%	0.298	S	S	.	.	H	α-helix	trans	-73.5	-37.5	174.7	-67.4	-61.1	141	0	0	111.9	K41 Y42 D43 K48 L49 L232	K41-E45 WeakPolarHBondContact O-CG 3.04Å; K41-E45 PolarHBondContact O-N 3.46Å; Y42-E45 WeakPolarHBondContact O-CB 3.42Å; Y42-E45 PolarHBondContact O-N 3.12Å; D43-E45 VanDerWaalsContact C-N 3.26Å; D43-E45 PolarHBondContact O-N 3.19Å; E45-K48 WeakPolarHBondContact O-CB 3.38Å; E45-K48 PolarHBondContact O-N 3.37Å; E45-K48 IonicContact OE1-NZ 3.45Å; E45-K48 PolarHBondContact OE1-NZ 3.41Å; E45-K48 IonicContact OE2-NZ 3.21Å; E45-L49 PolarHBondContact O-N 3.37Å; E45-L232 HydrophobicContact CB-CD1 4.16Å; E45-L232 HydrophobicContact CG-CD1 3.8Å
46	I	83.8	Confident	85.3	Confident	9 Å²	9	61.8 Å²	61.8	5%	0.046	32%	0.317	C	S	.	.	H	α-helix	trans	-63	-45.8	173.6	-63.2	-57.4	0	0	0	110.8	Y42 D43 K48 L49 F50 T168 A171 T229	Y42-I46 HydrophobicContact CD1-CD1 4.44Å; Y42-I46 HydrophobicContact CD1-CG1 3.86Å; Y42-I46 HydrophobicContact CE1-CD1 3.8Å; Y42-I46 HydrophobicContact CE1-CG1 3.68Å; Y42-I46 WeakPolarHBondContact O-CG1 3.39Å; Y42-I46 PolarHBondContact O-N 3.45Å; D43-I46 CarbonylContact O-C 3.6Å; D43-I46 WeakPolarHBondContact O-CB 2.99Å; D43-I46 PolarHBondContact O-N 2.97Å; D43-I46 VanDerWaalsContact O-N 3.09Å; I46-K48 PolarHBondContact O-N 2.05Å; I46-L49 HydrophobicContact CD1-CD1 4.24Å; I46-L49 WeakPolarHBondContact O-CA 3.38Å; I46-L49 VanDerWaalsContact O-CB 3.28Å; I46-L49 WeakPolarHBondContact O-CB 3.46Å; I46-L49 PolarHBondContact O-N 2.86Å; I46-F50 HydrophobicContact CG2-CD2 3.73Å; I46-F50 HydrophobicContact CG2-CE2 3.93Å; I46-F50 WeakPolarHBondContact O-CD2 3.35Å; I46-F50 PolarHBondContact O-N 3.27Å; I46-T168 HydrophobicContact CD1-CG2 3.93Å; I46-T168 VanDerWaalsContact CD1-OG1 3.24Å; I46-T168 WeakPolarHBondContact CD1-OG1 2.93Å; I46-A171 HydrophobicContact CG2-CB 3.73Å; I46-T229 HydrophobicContact CD1-CG2 3.74Å
47	V	83.8	Confident	85.2	Confident	90 Å²	90	62 Å²	62	55%	0.545	31%	0.314	S	S	.	.	H	α-helix	trans	-58.3	-36.3	177.2	171.3	0	0	0	0	111	D43 L49 F50 D51	D43-V47 WeakPolarHBondContact O-CG2 3.27Å; D43-V47 PolarHBondContact O-N 3.39Å; V47-L49 VanDerWaalsContact C-N 3.3Å; V47-L49 PolarHBondContact O-N 2.88Å; V47-F50 CarbonylContact O-C 3.44Å; V47-F50 PolarHBondContact O-N 3.2Å; V47-F50 VanDerWaalsContact O-N 3.11Å; V47-D51 VanDerWaalsContact O-CA 3.28Å; V47-D51 WeakPolarHBondContact O-CA 3.24Å; V47-D51 PolarHBondContact O-N 2.9Å
48	K	81.2	Confident	85.2	Confident	115 Å²	115	60.3 Å²	60.3	50%	0.5	30%	0.302	S	S	.	.	H	α-helix	trans	-66.1	-30.4	174.6	-68.4	167.8	-164.4	172.8	0	113.2	D44 E45 I46 F50 K54	D44-K48 WeakPolarHBondContact O-CG 3.32Å; D44-K48 PolarHBondContact O-N 2.82Å; E45-K48 WeakPolarHBondContact O-CB 3.38Å; E45-K48 PolarHBondContact O-N 3.37Å; E45-K48 IonicContact OE1-NZ 3.45Å; E45-K48 PolarHBondContact OE1-NZ 3.41Å; E45-K48 IonicContact OE2-NZ 3.21Å; I46-K48 PolarHBondContact O-N 2.05Å; K48-F50 VanDerWaalsContact C-N 3.28Å; K48-K54 PolarHBondContact O-NZ 3.13Å
49	L	72.4	Confident	85.4	Confident	42 Å²	42	61.3 Å²	61.3	22%	0.22	31%	0.308	C	S	.	.	H	α-helix	trans	-66.7	-37.5	173	-61.6	178.9	0	0	0	110.5	E45 I46 V47 K54 F172 T225	E45-L49 PolarHBondContact O-N 3.37Å; I46-L49 HydrophobicContact CD1-CD1 4.24Å; I46-L49 WeakPolarHBondContact O-CA 3.38Å; I46-L49 VanDerWaalsContact O-CB 3.28Å; I46-L49 WeakPolarHBondContact O-CB 3.46Å; I46-L49 PolarHBondContact O-N 2.86Å; V47-L49 VanDerWaalsContact C-N 3.3Å; V47-L49 PolarHBondContact O-N 2.88Å; L49-K54 PolarHBondContact O-NZ 3.01Å; L49-F172 HydrophobicContact CD1-CZ 4.45Å; L49-T225 HydrophobicContact CD1-CG2 3.65Å; L49-T225 HydrophobicContact CD2-CG2 3.44Å; L49-T225 VanDerWaalsContact CD2-CG2 3.44Å; L49-T225 HydrophobicContact CG-CG2 4.19Å
50	F	68.4	Low	85.6	Confident	29 Å²	29	64 Å²	64	13%	0.127	32%	0.321	C	S	.	.	S	Bend	trans	-121	36	-168.5	-51.5	-62.3	0	0	0	113.8	I46 V47 K48 E52 A171 F172 V175	I46-F50 HydrophobicContact CG2-CD2 3.73Å; I46-F50 HydrophobicContact CG2-CE2 3.93Å; I46-F50 WeakPolarHBondContact O-CD2 3.35Å; I46-F50 PolarHBondContact O-N 3.27Å; V47-F50 CarbonylContact O-C 3.44Å; V47-F50 PolarHBondContact O-N 3.2Å; V47-F50 VanDerWaalsContact O-N 3.11Å; K48-F50 VanDerWaalsContact C-N 3.28Å; F50-E52 PolarHBondContact O-N 3.19Å; F50-A171 HydrophobicContact CD2-CB 3.39Å; F50-A171 WeakPolarHBondContact CE1-O 3.38Å; F50-A171 HydrophobicContact CE2-CB 3.15Å; F50-A171 HydrophobicContact CG-CB 4.27Å; F50-A171 HydrophobicContact CZ-CB 3.83Å; F50-F172 HydrophobicContact CE1-CB 4.43Å; F50-F172 AromaticContact CE1-CD1 3.39Å; F50-F172 HydrophobicContact CE1-CD1 3.39Å; F50-F172 AromaticContact CE1-CE1 3.69Å; F50-F172 HydrophobicContact CE1-CE1 3.69Å; F50-F172 HydrophobicContact CE1-CG 4.01Å; F50-F172 HydrophobicContact CZ-CB 4.14Å; F50-F172 AromaticContact CZ-CD1 3.33Å; F50-F172 HydrophobicContact CZ-CD1 3.33Å; F50-F172 HydrophobicContact CZ-CD2 4.05Å; F50-F172 AromaticContact CZ-CE1 3.53Å; F50-F172 HydrophobicContact CZ-CE1 3.53Å; F50-F172 HydrophobicContact CZ-CE2 4.25Å; F50-F172 AromaticContact CZ-CG 3.57Å; F50-F172 HydrophobicContact CZ-CG 3.57Å; F50-F172 AromaticContact CZ-CZ 4Å; F50-F172 HydrophobicContact CZ-CZ 4Å; F50-F172 VanDerWaalsContact CZ-N 3.27Å; F50-V175 HydrophobicContact CB-CG2 4.03Å; F50-V175 HydrophobicContact CD1-CB 3.9Å; F50-V175 HydrophobicContact CD1-CG1 4.44Å; F50-V175 HydrophobicContact CD1-CG2 3.17Å; F50-V175 HydrophobicContact CE1-CB 4.09Å; F50-V175 HydrophobicContact CE1-CG2 3.85Å; F50-V175 HydrophobicContact CG-CG2 3.91Å
51	D	75.3	Confident	85.8	Confident	64 Å²	64	64 Å²	64	34%	0.342	32%	0.316	S	S	.	.			trans	-66.4	132.9	-175.5	-176.8	-1.5	0	0	0	110.7	V47 K53 K54 K55	V47-D51 VanDerWaalsContact O-CA 3.28Å; V47-D51 WeakPolarHBondContact O-CA 3.24Å; V47-D51 PolarHBondContact O-N 2.9Å; D51-K53 PolarHBondContact O-N 3.34Å; D51-K53 VanDerWaalsContact O-N 3.09Å; D51-K53 PolarHBondContact OD1-N 3.5Å; D51-K53 WeakPolarHBondContact OD2-CB 3.04Å; D51-K54 WeakPolarHBondContact O-CB 3.44Å; D51-K54 PolarHBondContact O-N 3.47Å; D51-K55 PolarHBondContact O-N 3.1Å
52	E	77.9	Confident	86.1	Confident	120 Å²	120	61.2 Å²	61.2	56%	0.561	30%	0.304	S	S	*	.	H	α-helix	trans	-50.5	-31.3	172.2	-71.9	-57.2	132.6	0	0	112.2	F50 K54 K55 S56	F50-E52 PolarHBondContact O-N 3.19Å; E52-K54 VanDerWaalsContact C-N 3.27Å; E52-K54 PolarHBondContact O-N 3.5Å; E52-K55 PolarHBondContact O-N 3.37Å; E52-K55 VanDerWaalsContact O-N 3.16Å; E52-K55 IonicContact OE1-NZ 2.71Å; E52-K55 PolarHBondContact OE1-NZ 3.25Å; E52-S56 PolarHBondContact O-N 2.62Å
53	K	83.1	Confident	86.6	Confident	150 Å²	150	62.8 Å²	62.8	65%	0.652	31%	0.313	S	S	*	.	H	α-helix	trans	-57.7	-38.7	173.1	-172.5	179	178.1	-179.7	0	112.8	D51 T57	D51-K53 PolarHBondContact O-N 3.34Å; D51-K53 VanDerWaalsContact O-N 3.09Å; D51-K53 PolarHBondContact OD1-N 3.5Å; D51-K53 WeakPolarHBondContact OD2-CB 3.04Å; K53-T57 WeakPolarHBondContact O-CB 3.46Å; K53-T57 PolarHBondContact O-N 2.99Å; K53-T57 PolarHBondContact O-OG1 2.64Å
54	K	84.2	Confident	87	Confident	105 Å²	105	67.4 Å²	67.4	46%	0.457	33%	0.331	S	S	.	.	H	α-helix	trans	-69	-41.6	177.2	-70.6	172.7	171.8	165.8	0	110.9	K48 L49 D51 E52 T57 F58	K48-K54 PolarHBondContact O-NZ 3.13Å; L49-K54 PolarHBondContact O-NZ 3.01Å; D51-K54 WeakPolarHBondContact O-CB 3.44Å; D51-K54 PolarHBondContact O-N 3.47Å; E52-K54 VanDerWaalsContact C-N 3.27Å; E52-K54 PolarHBondContact O-N 3.5Å; K54-T57 PolarHBondContact O-N 2.68Å; K54-F58 WeakPolarHBondContact O-CB 3.13Å; K54-F58 PolarHBondContact O-N 2.7Å
55	K	88.6	Confident	87.4	Confident	43 Å²	43	63.4 Å²	63.4	19%	0.187	31%	0.31	C	S	.	.	H	α-helix	trans	-62.2	-44.6	175.5	-62.8	-177.7	-172.4	165.9	0	111.9	D51 E52 F58 T59 F178	D51-K55 PolarHBondContact O-N 3.1Å; E52-K55 PolarHBondContact O-N 3.37Å; E52-K55 VanDerWaalsContact O-N 3.16Å; E52-K55 IonicContact OE1-NZ 2.71Å; E52-K55 PolarHBondContact OE1-NZ 3.25Å; K55-F58 PolarHBondContact O-N 2.81Å; K55-T59 WeakPolarHBondContact O-CB 3.14Å; K55-T59 PolarHBondContact O-N 3.1Å; K55-T59 PolarHBondContact O-OG1 2.63Å; K55-F178 HydrophobicContact CB-CE1 4.3Å; K55-F178 HydrophobicContact CB-CE2 4.3Å; K55-F178 HydrophobicContact CB-CZ 3.95Å; K55-F178 HydrophobicContact CD-CD2 4.3Å; K55-F178 HydrophobicContact CD-CE2 4.4Å; K55-F178 HydrophobicContact CD-CG 4.44Å; K55-F178 HydrophobicContact CG-CD1 4.37Å; K55-F178 HydrophobicContact CG-CE1 4.19Å; K55-F178 HydrophobicContact CG-CE2 4.47Å; K55-F178 HydrophobicContact CG-CZ 4.23Å
56	S	89.8	Confident	88	Confident	59 Å²	59	60.6 Å²	60.6	41%	0.413	30%	0.297	S	S	.	.	H	α-helix	trans	-60.1	-49.1	174.5	-168.5	0	0	0	0	111	E52 F58 T59 E60	E52-S56 PolarHBondContact O-N 2.62Å; S56-F58 VanDerWaalsContact C-N 3.35Å; S56-F58 PolarHBondContact O-N 3.17Å; S56-T59 PolarHBondContact O-N 3.46Å; S56-T59 VanDerWaalsContact O-N 3.15Å; S56-E60 WeakPolarHBondContact O-CG 3.25Å; S56-E60 PolarHBondContact O-N 2.95Å; S56-E60 PolarHBondContact OG-OE1 2.75Å; S56-E60 VanDerWaalsContact OG-OE1 3.07Å
57	T	92.7	Very high	88.7	Confident	48 Å²	48	63.9 Å²	63.9	29%	0.294	32%	0.317	S	S	.	.	H	α-helix	trans	-57.6	-47.3	178.6	-54.7	0	0	0	0	111.4	K53 K54 T59 E60 E61	K53-T57 WeakPolarHBondContact O-CB 3.46Å; K53-T57 PolarHBondContact O-N 2.99Å; K53-T57 PolarHBondContact O-OG1 2.64Å; K54-T57 PolarHBondContact O-N 2.68Å; T57-T59 PolarHBondContact O-N 2.76Å; T57-E60 PolarHBondContact O-N 2.9Å; T57-E61 WeakPolarHBondContact O-CG 3.39Å; T57-E61 PolarHBondContact O-N 3.05Å
58	F	94.2	Very high	89.3	Confident	1 Å²	1	63.4 Å²	63.4	0%	0.004	32%	0.318	C	S	.	.	H	α-helix	trans	-59.2	-46.4	176	164.2	-95.8	0	0	0	112	K54 K55 S56 E60 E61 A62 F178 F179 A182 Y186 V211 F212 H215	K54-F58 WeakPolarHBondContact O-CB 3.13Å; K54-F58 PolarHBondContact O-N 2.7Å; K55-F58 PolarHBondContact O-N 2.81Å; S56-F58 VanDerWaalsContact C-N 3.35Å; S56-F58 PolarHBondContact O-N 3.17Å; F58-E60 PolarHBondContact O-N 3.45Å; F58-E61 PolarHBondContact O-N 2.78Å; F58-A62 WeakPolarHBondContact O-CB 3.17Å; F58-A62 PolarHBondContact O-N 3.44Å; F58-F178 AromaticContact CD1-CE1 3.52Å; F58-F178 HydrophobicContact CD1-CE1 3.52Å; F58-F178 AromaticContact CD1-CZ 3.65Å; F58-F178 HydrophobicContact CD1-CZ 3.65Å; F58-F178 AromaticContact CE1-CE1 3.8Å; F58-F178 HydrophobicContact CE1-CE1 3.8Å; F58-F178 AromaticContact CE1-CZ 3.99Å; F58-F178 HydrophobicContact CE1-CZ 3.99Å; F58-F178 HydrophobicContact CG-CE1 4.37Å; F58-F179 HydrophobicContact CD1-CD1 4.5Å; F58-F179 HydrophobicContact CD1-CE1 4.12Å; F58-F179 HydrophobicContact CD2-CD1 4.36Å; F58-F179 AromaticContact CD2-CE1 3.66Å; F58-F179 HydrophobicContact CD2-CE1 3.66Å; F58-F179 HydrophobicContact CE1-CD1 4.1Å; F58-F179 HydrophobicContact CE1-CE1 4.14Å; F58-F179 AromaticContact CE2-CD1 3.95Å; F58-F179 HydrophobicContact CE2-CD1 3.95Å; F58-F179 AromaticContact CE2-CE1 3.69Å; F58-F179 HydrophobicContact CE2-CE1 3.69Å; F58-F179 AromaticContact CG-CE1 3.87Å; F58-F179 HydrophobicContact CG-CE1 3.87Å; F58-F179 AromaticContact CZ-CD1 3.8Å; F58-F179 HydrophobicContact CZ-CD1 3.8Å; F58-F179 AromaticContact CZ-CE1 3.94Å; F58-F179 HydrophobicContact CZ-CE1 3.94Å; F58-A182 HydrophobicContact CE1-CB 3.84Å; F58-A182 HydrophobicContact CZ-CB 4.23Å; F58-Y186 AromaticContact CE1-CE2 3.92Å; F58-Y186 HydrophobicContact CE1-CE2 3.92Å; F58-Y186 AromaticContact CZ-CE2 3.98Å; F58-Y186 HydrophobicContact CZ-CE2 3.98Å; F58-V211 HydrophobicContact CD2-CG1 3.71Å; F58-V211 HydrophobicContact CE2-CG1 3.84Å; F58-F212 HydrophobicContact CE2-CD1 4.04Å; F58-F212 HydrophobicContact CE2-CD2 4.4Å; F58-F212 HydrophobicContact CE2-CE1 4.07Å; F58-F212 HydrophobicContact CE2-CE2 4.4Å; F58-F212 HydrophobicContact CE2-CG 4.22Å; F58-F212 HydrophobicContact CE2-CZ 4.24Å; F58-F212 HydrophobicContact CZ-CD1 4.09Å; F58-F212 AromaticContact CZ-CE1 3.62Å; F58-F212 HydrophobicContact CZ-CE1 3.62Å; F58-F212 HydrophobicContact CZ-CE2 4.07Å; F58-F212 AromaticContact CZ-CZ 3.61Å; F58-F212 HydrophobicContact CZ-CZ 3.61Å; F58-H215 HydrophobicContact CD2-CB 4.02Å
59	T	94.7	Very high	90	Very high	27 Å²	27	60 Å²	60	17%	0.166	31%	0.305	C	S	.	.	H	α-helix	trans	-63.2	-42.2	-178.9	-58.7	0	0	0	0	111.4	K55 S56 T57 A62 N63	K55-T59 WeakPolarHBondContact O-CB 3.14Å; K55-T59 PolarHBondContact O-N 3.1Å; K55-T59 PolarHBondContact O-OG1 2.63Å; S56-T59 PolarHBondContact O-N 3.46Å; S56-T59 VanDerWaalsContact O-N 3.15Å; T57-T59 PolarHBondContact O-N 2.76Å; T59-A62 PolarHBondContact O-N 2.91Å; T59-N63 WeakPolarHBondContact O-CB 3.23Å; T59-N63 VanDerWaalsContact O-CG 3.32Å; T59-N63 PolarHBondContact O-N 2.86Å; T59-N63 PolarHBondContact O-ND2 2.91Å
60	E	95.2	Very high	91.1	Very high	122 Å²	122	60.5 Å²	60.5	57%	0.57	32%	0.32	S	S	*	.	H	α-helix	trans	-62.1	-45.3	174.3	-72.5	169.8	-146	0	0	112.1	S56 T57 F58 N63 K64	S56-E60 WeakPolarHBondContact O-CG 3.25Å; S56-E60 PolarHBondContact O-N 2.95Å; S56-E60 PolarHBondContact OG-OE1 2.75Å; S56-E60 VanDerWaalsContact OG-OE1 3.07Å; T57-E60 PolarHBondContact O-N 2.9Å; F58-E60 PolarHBondContact O-N 3.45Å; E60-N63 PolarHBondContact O-N 3.42Å; E60-K64 WeakPolarHBondContact O-CB 3.47Å; E60-K64 PolarHBondContact O-N 3.45Å
61	E	96.9	Very high	92.4	Very high	77 Å²	77	59.5 Å²	59.5	36%	0.36	32%	0.317	S	S	.	.	H	α-helix	trans	-64.8	-40	177	-75	-178.9	-170.1	0	0	112.3	T57 F58 K64 C65 V211 H215	T57-E61 WeakPolarHBondContact O-CG 3.39Å; T57-E61 PolarHBondContact O-N 3.05Å; F58-E61 PolarHBondContact O-N 2.78Å; E61-K64 WeakPolarHBondContact O-CB 3.31Å; E61-K64 PolarHBondContact O-N 3.5Å; E61-C65 PolarHBondContact O-N 2.87Å; E61-V211 HydrophobicContact CB-CG1 3.93Å; E61-V211 HydrophobicContact CB-CG2 4.18Å; E61-H215 IonicContact OE1-NE2 3.72Å; E61-H215 IonicContact OE2-CD2 3.67Å; E61-H215 IonicContact OE2-CE1 3.97Å; E61-H215 IonicContact OE2-NE2 2.63Å; E61-H215 PolarHBondContact OE2-NE2 2.72Å
62	A	96.9	Very high	93.4	Very high	0 Å²	0	63 Å²	63	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-64.3	-48.1	175.5	0	0	0	0	0	111.4	F58 T59 K64 C65 F66 Y186 L208	F58-A62 WeakPolarHBondContact O-CB 3.17Å; F58-A62 PolarHBondContact O-N 3.44Å; T59-A62 PolarHBondContact O-N 2.91Å; A62-K64 PolarHBondContact O-N 2.97Å; A62-C65 WeakPolarHBondContact O-CA 3.34Å; A62-C65 VanDerWaalsContact O-CB 3.24Å; A62-C65 WeakPolarHBondContact O-CB 3.4Å; A62-C65 PolarHBondContact O-N 3.22Å; A62-F66 WeakPolarHBondContact O-CD2 3.46Å; A62-F66 PolarHBondContact O-N 3.02Å; A62-Y186 HydrophobicContact CB-CD2 4.13Å; A62-Y186 HydrophobicContact CB-CE1 4.35Å; A62-Y186 HydrophobicContact CB-CE2 3.42Å; A62-Y186 VanDerWaalsContact CB-CE2 3.42Å; A62-L208 HydrophobicContact CB-CD2 3.72Å
63	N	96.5	Very high	94.1	Very high	35 Å²	35	59.7 Å²	59.7	19%	0.187	32%	0.322	C	S	.	.	H	α-helix	trans	-60.7	-34.1	175.2	-75.8	-21.6	0	0	0	112.3	T59 E60 C65 F66 T67 A73	T59-N63 WeakPolarHBondContact O-CB 3.23Å; T59-N63 VanDerWaalsContact O-CG 3.32Å; T59-N63 PolarHBondContact O-N 2.86Å; T59-N63 PolarHBondContact O-ND2 2.91Å; E60-N63 PolarHBondContact O-N 3.42Å; N63-C65 VanDerWaalsContact C-N 3.31Å; N63-C65 PolarHBondContact O-N 3.32Å; N63-F66 PolarHBondContact O-N 2.88Å; N63-T67 PolarHBondContact O-N 2.53Å; N63-T67 VanDerWaalsContact O-N 3.1Å; N63-T67 PolarHBondContact O-OG1 2.86Å; N63-T67 VanDerWaalsContact O-OG1 3.12Å; N63-A73 HydrophobicContact CB-CB 4.43Å
64	K	97.3	Very high	94.4	Very high	135 Å²	135	53.5 Å²	53.5	59%	0.587	30%	0.297	S	S	*	.	H	α-helix	trans	-65.3	-33.3	173	-171	175.8	-179.8	179.9	0	112.4	E60 E61 A62 F66 T67 S68	E60-K64 WeakPolarHBondContact O-CB 3.47Å; E60-K64 PolarHBondContact O-N 3.45Å; E61-K64 WeakPolarHBondContact O-CB 3.31Å; E61-K64 PolarHBondContact O-N 3.5Å; A62-K64 PolarHBondContact O-N 2.97Å; K64-F66 VanDerWaalsContact C-N 3.31Å; K64-F66 PolarHBondContact O-N 3.07Å; K64-T67 WeakPolarHBondContact CA-OG1 3.3Å; K64-T67 PolarHBondContact O-OG1 3.48Å; K64-S68 WeakPolarHBondContact CG-OG 3.43Å; K64-S68 WeakPolarHBondContact O-CB 3.3Å; K64-S68 PolarHBondContact O-N 3.18Å; K64-S68 PolarHBondContact O-OG 3.34Å
65	C	98.1	Very high	94.2	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.014	32%	0.317	C	S	.	.	H	α-helix	trans	-62	-36.8	172.9	-72.7	0	0	0	0	112.5	E61 A62 N63 N69 C207 L208 V211	E61-C65 PolarHBondContact O-N 2.87Å; A62-C65 WeakPolarHBondContact O-CA 3.34Å; A62-C65 VanDerWaalsContact O-CB 3.24Å; A62-C65 WeakPolarHBondContact O-CB 3.4Å; A62-C65 PolarHBondContact O-N 3.22Å; N63-C65 VanDerWaalsContact C-N 3.31Å; N63-C65 PolarHBondContact O-N 3.32Å; C65-N69 WeakPolarHBondContact O-CB 3.34Å; C65-N69 PolarHBondContact O-ND2 3.2Å; C65-C207 WeakPolarHBondContact CA-SG 2.72Å; C65-C207 HydrophobicContact CB-CB 3.58Å; C65-C207 WeakPolarHBondContact CB-SG 3.36Å; C65-C207 WeakPolarHBondContact SG-CB 3.5Å; C65-C207 CovalentContact SG-SG 2.04Å; C65-C207 PolarHBondContact SG-SG 3.44Å; C65-L208 HydrophobicContact CB-CD2 4.08Å; C65-L208 HydrophobicContact CB-CG 3.92Å; C65-V211 VanDerWaalsContact SG-CG2 3.57Å
66	F	98	Very high	92.8	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-68.1	-58.1	174.1	-75.4	-96.5	0	0	0	111.3	A62 N63 K64 S68 N69 G70 C71 K72 P74 Y186 A189 L190 L208	A62-F66 WeakPolarHBondContact O-CD2 3.46Å; A62-F66 PolarHBondContact O-N 3.02Å; N63-F66 PolarHBondContact O-N 2.88Å; K64-F66 VanDerWaalsContact C-N 3.31Å; K64-F66 PolarHBondContact O-N 3.07Å; F66-S68 PolarHBondContact O-N 2.96Å; F66-N69 PolarHBondContact O-N 3.3Å; F66-N69 VanDerWaalsContact O-N 3.11Å; F66-G70 PolarHBondContact O-N 2.93Å; F66-C71 CarbonylContact C-O 3.59Å; F66-C71 HydrophobicContact CB-CB 4.04Å; F66-C71 HydrophobicContact CD1-CB 3.83Å; F66-C71 HydrophobicContact CG-CB 4.42Å; F66-C71 WeakPolarHBondContact O-CB 3.36Å; F66-C71 PolarHBondContact O-N 2.92Å; F66-K72 WeakPolarHBondContact CB-O 3.49Å; F66-P74 HydrophobicContact CD1-CG 4.05Å; F66-P74 HydrophobicContact CD2-CG 3.77Å; F66-P74 HydrophobicContact CE1-CG 3.85Å; F66-P74 HydrophobicContact CE2-CG 3.55Å; F66-P74 HydrophobicContact CG-CG 4.03Å; F66-P74 HydrophobicContact CZ-CG 3.6Å; F66-Y186 AromaticContact CE2-CD1 3.77Å; F66-Y186 HydrophobicContact CE2-CD1 3.77Å; F66-Y186 HydrophobicContact CE2-CE1 4.49Å; F66-Y186 HydrophobicContact CE2-CG 4.08Å; F66-Y186 HydrophobicContact CZ-CD1 4.21Å; F66-Y186 HydrophobicContact CZ-CG 4.46Å; F66-A189 HydrophobicContact CE1-CB 3.73Å; F66-A189 HydrophobicContact CZ-CB 3.85Å; F66-L190 HydrophobicContact CE1-CD2 3.88Å; F66-L190 HydrophobicContact CE1-CG 4.02Å; F66-L190 HydrophobicContact CZ-CD2 4.15Å; F66-L190 HydrophobicContact CZ-CG 3.96Å; F66-L208 HydrophobicContact CD2-CD1 4.46Å; F66-L208 HydrophobicContact CE2-CD1 3.68Å; F66-L208 HydrophobicContact CE2-CD2 4.15Å; F66-L208 HydrophobicContact CE2-CG 4.42Å; F66-L208 HydrophobicContact CZ-CD1 3.93Å
67	T	97.1	Very high	91	Very high	77 Å²	77	58 Å²	58	47%	0.472	32%	0.322	S	S	.	.	H	α-helix	trans	-63.7	-39.4	-172.6	51.8	0	0	0	0	113.1	N63 K64 N69 G70 C71 A73	N63-T67 PolarHBondContact O-N 2.53Å; N63-T67 VanDerWaalsContact O-N 3.1Å; N63-T67 PolarHBondContact O-OG1 2.86Å; N63-T67 VanDerWaalsContact O-OG1 3.12Å; K64-T67 WeakPolarHBondContact CA-OG1 3.3Å; K64-T67 PolarHBondContact O-OG1 3.48Å; T67-N69 PolarHBondContact O-N 3.08Å; T67-G70 PolarHBondContact O-N 3.37Å; T67-C71 WeakPolarHBondContact CA-O 3.34Å; T67-A73 HydrophobicContact CG2-CB 3.94Å
68	S	96.8	Very high	88.6	Confident	80 Å²	80	62.2 Å²	62.2	56%	0.559	34%	0.343	S	S	*	.	H	α-helix	trans	-69.2	-19.3	178.8	-52.1	0	0	0	0	113.4	K64 F66	K64-S68 WeakPolarHBondContact CG-OG 3.43Å; K64-S68 WeakPolarHBondContact O-CB 3.3Å; K64-S68 PolarHBondContact O-N 3.18Å; K64-S68 PolarHBondContact O-OG 3.34Å; F66-S68 PolarHBondContact O-N 2.96Å
69	N	96.2	Very high	85.6	Confident	44 Å²	44	66 Å²	66	24%	0.235	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	9.6	177.5	-71.5	-76.7	0	0	0	112.7	C65 F66 T67 K200 A203 A204	C65-N69 WeakPolarHBondContact O-CB 3.34Å; C65-N69 PolarHBondContact O-ND2 3.2Å; F66-N69 PolarHBondContact O-N 3.3Å; F66-N69 VanDerWaalsContact O-N 3.11Å; T67-N69 PolarHBondContact O-N 3.08Å; N69-K200 VanDerWaalsContact O-CB 3.32Å; N69-K200 WeakPolarHBondContact O-CB 3.46Å; N69-K200 WeakPolarHBondContact O-CD 3.21Å; N69-K200 WeakPolarHBondContact O-CG 3.15Å; N69-A203 VanDerWaalsContact OD1-CB 3.24Å; N69-A203 WeakPolarHBondContact OD1-CB 3.49Å; N69-A204 HydrophobicContact CB-CB 4Å
70	G	95.2	Very high	82.5	Confident	52 Å²	52	69.8 Å²	69.8	54%	0.536	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.2	17.6	177.8	0	0	0	0	0	114.6	F66 T67	F66-G70 PolarHBondContact O-N 2.93Å; T67-G70 PolarHBondContact O-N 3.37Å
71	C	96.5	Very high	79.1	Confident	8 Å²	8	69.7 Å²	69.7	5%	0.054	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-95.9	157.1	168.7	-57.8	0	0	0	0	110.3	F66 T67 T195 C196	F66-C71 CarbonylContact C-O 3.59Å; F66-C71 HydrophobicContact CB-CB 4.04Å; F66-C71 HydrophobicContact CD1-CB 3.83Å; F66-C71 HydrophobicContact CG-CB 4.42Å; F66-C71 WeakPolarHBondContact O-CB 3.36Å; F66-C71 PolarHBondContact O-N 2.92Å; T67-C71 WeakPolarHBondContact CA-O 3.34Å; C71-T195 WeakPolarHBondContact CA-O 3.33Å; C71-C196 HydrophobicContact CB-CB 3.6Å; C71-C196 WeakPolarHBondContact CB-SG 3.49Å; C71-C196 WeakPolarHBondContact SG-CA 3.31Å; C71-C196 WeakPolarHBondContact SG-CB 3.44Å; C71-C196 CovalentContact SG-SG 2.04Å; C71-C196 PolarHBondContact SG-SG 2.78Å
72	K	95.1	Very high	75.9	Confident	139 Å²	139	74.6 Å²	74.6	60%	0.604	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-72.3	144.7	169.8	-65.1	175.9	-174.4	158.1	0	109	F66 K194 T195	F66-K72 WeakPolarHBondContact CB-O 3.49Å; K72-K194 PolarHBondContact NZ-O 2.9Å; K72-K194 VanDerWaalsContact NZ-O 3.09Å; K72-T195 HydrophobicContact CB-CG2 4.37Å; K72-T195 PolarHBondContact N-O 3.37Å
73	A	92.8	Very high	72.4	Confident	50 Å²	50	77.8 Å²	77.8	41%	0.413	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-62.3	131.9	169.8	0	0	0	0	0	109	N63 T67	N63-A73 HydrophobicContact CB-CB 4.43Å; T67-A73 HydrophobicContact CG2-CB 3.94Å
74	P	90.1	Very high	69	Low	19 Å²	19	80.4 Å²	80.4	12%	0.123	51%	0.505	C	S	.	.	P	Polyproline II helix	trans	-55.6	147.3	167.9	-22.4	32.6	0	0	0	110.5	F66 G76 Y186 A189	F66-P74 HydrophobicContact CD1-CG 4.05Å; F66-P74 HydrophobicContact CD2-CG 3.77Å; F66-P74 HydrophobicContact CE1-CG 3.85Å; F66-P74 HydrophobicContact CE2-CG 3.55Å; F66-P74 HydrophobicContact CG-CG 4.03Å; F66-P74 HydrophobicContact CZ-CG 3.6Å; P74-G76 PolarHBondContact O-N 2.93Å; P74-Y186 HydrophobicContact CB-CD1 4.31Å; P74-Y186 HydrophobicContact CB-CE1 4.34Å; P74-Y186 HydrophobicContact CG-CD1 3.86Å; P74-Y186 HydrophobicContact CG-CE1 4.12Å; P74-A189 HydrophobicContact CB-CB 4.14Å; P74-A189 HydrophobicContact CG-CB 3.74Å
75	K	79	Confident	65.8	Low	204 Å²	204	80.9 Å²	80.9	89%	0.887	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-61.5	128.3	166	-66.9	-177.4	-179.2	178.1	0	107
76	G	60	Low	62.5	Low	37 Å²	37	89.1 Å²	89.1	38%	0.381	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-62.5	150.9	-175	0	0	0	0	0	112.2	P74 D78	P74-G76 PolarHBondContact O-N 2.93Å; G76-D78 PolarHBondContact O-N 3.46Å
77	N	52.2	Low	59.4	Low	60 Å²	60	97.2 Å²	97.2	32%	0.321	60%	0.596	S	S	.	*			trans	-78.1	46.2	163.7	-66.7	12.5	0	0	0	110.1	A79 E181 N185	N77-A79 VanDerWaalsContact C-N 3.31Å; N77-A79 PolarHBondContact O-N 3.25Å; N77-E181 PolarHBondContact ND2-OE1 2.7Å; N77-N185 PolarHBondContact ND2-ND2 2.66Å; N77-N185 PolarHBondContact OD1-ND2 2.74Å
78	D	41	Very low	56.3	Low	137 Å²	137	102.6 Å²	102.6	73%	0.733	62%	0.615	S	S	*	*			trans	-65.9	103	171.1	-71.9	-28.3	0	0	0	106.4	G76	G76-D78 PolarHBondContact O-N 3.46Å
79	A	32.1	Very low	53.6	Low	80 Å²	80	104.2 Å²	104.2	66%	0.661	62%	0.618	S	S	*	*			trans	-5.7	121.4	177.1	0	0	0	0	0	115.5	N77 T81	N77-A79 VanDerWaalsContact C-N 3.31Å; N77-A79 PolarHBondContact O-N 3.25Å; A79-T81 VanDerWaalsContact C-N 3.33Å; A79-T81 PolarHBondContact O-N 3.44Å
80	A	29	Very low	50.7	Low	108 Å²	108	110.1 Å²	110.1	89%	0.893	65%	0.649	S	S	*	*			trans	18	71.2	150.5	0	0	0	0	0	114.3
81	T	24.7	Very low	47.8	Very low	120 Å²	120	110.5 Å²	110.5	74%	0.736	65%	0.654	S	S	*	*			trans	-102.1	108.7	160.9	30.1	0	0	0	0	105.6	A79 G83	A79-T81 VanDerWaalsContact C-N 3.33Å; A79-T81 PolarHBondContact O-N 3.44Å; T81-G83 PolarHBondContact O-N 2.68Å
82	D	28.6	Very low	44.7	Very low	179 Å²	179	117.4 Å²	117.4	96%	0.957	69%	0.689	S	S	*	*			trans	-50	103.8	165.1	-73.4	-37.1	0	0	0	107.9
83	G	24.1	Very low	41.9	Very low	68 Å²	68	117 Å²	117	70%	0.701	69%	0.693	S	S	*	*			trans	-162.5	91.3	-172.5	0	0	0	0	0	109.9	T81	T81-G83 PolarHBondContact O-N 2.68Å
84	A	25.3	Very low	39.2	Very low	90 Å²	90	121 Å²	121	74%	0.744	71%	0.706	S	S	*	*			trans	-54	140	167.9	0	0	0	0	0	111.5
85	D	29.2	Very low	36.8	Very low	145 Å²	145	125.4 Å²	125.4	78%	0.775	73%	0.729	S	S	*	*			trans	169.5	99.6	141.7	-84.9	-18.1	0	0	0	106.2
86	E	30.1	Very low	34.9	Very low	175 Å²	175	121.4 Å²	121.4	82%	0.818	71%	0.714	S	S	*	*				61.5	99.5	97.4	-70.9	-164.4	-174.2	0	0	112.2
87	D	33.1	Very low	33.8	Very low	169 Å²	169	124 Å²	124	90%	0.904	73%	0.726	S	S	*	*			trans	-168	127.5	137.8	-91.6	-31.3	0	0	0	110.5
88	E	31.9	Very low	33.5	Very low	190 Å²	190	129.8 Å²	129.8	89%	0.888	75%	0.745	S	S	*	*			trans	-67.6	131.2	179.5	-59.1	173.2	157	0	0	111.8
89	D	38.4	Very low	33.7	Very low	115 Å²	115	131.4 Å²	131.4	62%	0.615	75%	0.749	S	S	*	*			trans	-155.6	127.8	153.5	-149.8	24.6	0	0	0	110.2	G91 K194	D89-G91 PolarHBondContact O-N 2.81Å; D89-K194 IonicContact OD1-NZ 3.84Å; D89-K194 PolarHBondContact OD1-NZ 2.91Å; D89-K194 WeakPolarHBondContact OD2-CE 3.48Å; D89-K194 IonicContact OD2-NZ 3.84Å; D89-K194 PolarHBondContact OD2-NZ 3.22Å
90	D	36.4	Very low	34.5	Very low	167 Å²	167	131.6 Å²	131.6	89%	0.893	75%	0.75	S	S	*	*			trans	-72.6	70.6	-174.5	-53.3	-39.1	0	0	0	111.1
91	G	33.2	Very low	35.6	Very low	61 Å²	61	132 Å²	132	63%	0.629	74%	0.741	S	S	*	*			trans	-96.6	118.5	168.8	0	0	0	0	0	109.2	D89 D93	D89-G91 PolarHBondContact O-N 2.81Å; G91-D93 PolarHBondContact O-N 3.32Å
92	I	33.1	Very low	37	Very low	153 Å²	153	133.9 Å²	133.9	79%	0.785	74%	0.742	S	S	*	*			trans	-33.2	110.8	174.5	-61.7	167.9	0	0	0	110.2	I94	I92-I94 HydrophobicContact CG2-CG1 3.86Å; I92-I94 PolarHBondContact O-N 3Å
93	D	35.2	Very low	38.9	Very low	130 Å²	130	132.9 Å²	132.9	70%	0.695	73%	0.734	S	S	*	*			trans	-68.4	83.5	176.7	-168.8	14.3	0	0	0	108.5	G91 N95	G91-D93 PolarHBondContact O-N 3.32Å; D93-N95 PolarHBondContact O-N 2.89Å; D93-N95 WeakPolarHBondContact OD1-CB 3.41Å; D93-N95 PolarHBondContact OD1-N 3.29Å
94	I	37.6	Very low	41.1	Very low	133 Å²	133	136 Å²	136	68%	0.682	73%	0.728	S	S	*	*			trans	-81.8	34.1	162.7	-27.6	174.4	0	0	0	108.7	I92 M96	I92-I94 HydrophobicContact CG2-CG1 3.86Å; I92-I94 PolarHBondContact O-N 3Å; I94-M96 HydrophobicContact CG2-CG 4.09Å; I94-M96 PolarHBondContact O-N 3.42Å
95	N	38.1	Very low	43.7	Very low	113 Å²	113	136.9 Å²	136.9	60%	0.604	72%	0.716	S	S	*	*			trans	-64.2	73.7	139.5	-165.7	16.2	0	0	0	106.3	D93 S97	D93-N95 PolarHBondContact O-N 2.89Å; D93-N95 WeakPolarHBondContact OD1-CB 3.41Å; D93-N95 PolarHBondContact OD1-N 3.29Å; N95-S97 PolarHBondContact O-N 3.18Å
96	M	38.7	Very low	46.3	Very low	119 Å²	119	134 Å²	134	59%	0.586	70%	0.699	S	S	*	*			trans	-48.3	99.9	146.7	-84.2	178.1	45.6	0	0	103.6	I94 Y98	I94-M96 HydrophobicContact CG2-CG 4.09Å; I94-M96 PolarHBondContact O-N 3.42Å; M96-Y98 WeakPolarHBondContact O-CD2 3.35Å; M96-Y98 PolarHBondContact O-N 2.86Å
97	S	38.4	Very low	49	Very low	91 Å²	91	126 Å²	126	64%	0.636	66%	0.662	S	S	*	*			trans	-56.6	90.8	168.7	57.9	0	0	0	0	104.3	N95 E99	N95-S97 PolarHBondContact O-N 3.18Å; S97-E99 PolarHBondContact O-N 3.42Å
98	Y	44.6	Very low	51.5	Low	183 Å²	183	121.2 Å²	121.2	72%	0.718	64%	0.637	S	S	*	*			trans	-54.2	96.5	146.7	-70	-83.5	0	0	0	101.4	M96 A100	M96-Y98 WeakPolarHBondContact O-CD2 3.35Å; M96-Y98 PolarHBondContact O-N 2.86Å; Y98-A100 VanDerWaalsContact C-N 3.28Å; Y98-A100 WeakPolarHBondContact O-CA 3.25Å; Y98-A100 PolarHBondContact O-N 3.48Å
99	E	45.4	Very low	54.3	Low	171 Å²	171	115.3 Å²	115.3	80%	0.799	62%	0.615	S	S	*	*			trans	-41.6	109.6	164.8	-76	-178.4	151.4	0	0	103.6	S97 V101	S97-E99 PolarHBondContact O-N 3.42Å; E99-V101 WeakPolarHBondContact O-CA 3.23Å; E99-V101 PolarHBondContact O-N 3.03Å
100	A	49.1	Very low	56.8	Low	83 Å²	83	116.3 Å²	116.3	69%	0.686	61%	0.614	S	S	*	*			trans	-47.1	110.2	-163.1	0	0	0	0	0	106.6	Y98 Q102	Y98-A100 VanDerWaalsContact C-N 3.28Å; Y98-A100 WeakPolarHBondContact O-CA 3.25Å; Y98-A100 PolarHBondContact O-N 3.48Å; A100-Q102 VanDerWaalsContact C-N 3.26Å; A100-Q102 WeakPolarHBondContact O-CG 3.16Å; A100-Q102 PolarHBondContact O-N 3.3Å
101	V	51.6	Low	59.5	Low	117 Å²	117	110.6 Å²	110.6	71%	0.709	58%	0.58	S	S	*	*			trans	-62.3	101.7	-173	173.5	0	0	0	0	104.3	E99 I103	E99-V101 WeakPolarHBondContact O-CA 3.23Å; E99-V101 PolarHBondContact O-N 3.03Å; V101-I103 VanDerWaalsContact C-N 3.26Å; V101-I103 HydrophobicContact CG1-CG1 4.32Å; V101-I103 PolarHBondContact O-N 3.42Å
102	Q	55.8	Low	62.3	Low	160 Å²	160	107.9 Å²	107.9	75%	0.748	55%	0.551	S	S	*	*			trans	-72.8	93.5	-178.4	-71.7	-170.2	5.1	0	0	106	A100 K104	A100-Q102 VanDerWaalsContact C-N 3.26Å; A100-Q102 WeakPolarHBondContact O-CG 3.16Å; A100-Q102 PolarHBondContact O-N 3.3Å; Q102-K104 PolarHBondContact O-N 2.93Å
103	I	66.7	Low	65	Low	157 Å²	157	104.2 Å²	104.2	81%	0.805	54%	0.537	S	S	*	.			trans	-67.1	99.9	173	-58.9	177.2	0	0	0	106.5	V101 K105	V101-I103 VanDerWaalsContact C-N 3.26Å; V101-I103 HydrophobicContact CG1-CG1 4.32Å; V101-I103 PolarHBondContact O-N 3.42Å; I103-K105 PolarHBondContact O-N 3.44Å
104	K	70.7	Confident	67.4	Low	133 Å²	133	101.4 Å²	101.4	58%	0.578	54%	0.538	S	S	*	.			trans	-75.6	118.9	175.1	-72.1	175.5	178.6	-178.7	0	109	Q102 I106 N119	Q102-K104 PolarHBondContact O-N 2.93Å; K104-I106 HydrophobicContact CB-CG2 4.34Å; K104-I106 PolarHBondContact O-N 3.41Å; K104-N119 WeakPolarHBondContact CB-OD1 3.22Å; K104-N119 WeakPolarHBondContact CD-OD1 3.38Å
105	K	79.5	Confident	69.7	Low	110 Å²	110	97.6 Å²	97.6	48%	0.478	52%	0.518	S	S	.	.			trans	-75.4	108.1	167.4	-170.4	170.9	-177.8	170.1	0	108.4	I103 V120 E125	I103-K105 PolarHBondContact O-N 3.44Å; K105-V120 HydrophobicContact CB-CB 4.48Å; K105-V120 HydrophobicContact CG-CB 4.25Å; K105-V120 PolarHBondContact O-N 2.7Å; K105-E125 IonicContact NZ-OE1 3.8Å; K105-E125 PolarHBondContact NZ-OE1 3.04Å; K105-E125 IonicContact NZ-OE2 2.67Å; K105-E125 PolarHBondContact NZ-OE2 3.15Å
106	I	85	Confident	71.6	Confident	84 Å²	84	96.3 Å²	96.3	43%	0.431	51%	0.514	S	S	.	.	B	Isolated β-bridge	trans	-104.2	159.6	177.3	61	169.8	0	0	0	111	K104 K118	K104-I106 HydrophobicContact CB-CG2 4.34Å; K104-I106 PolarHBondContact O-N 3.41Å; I106-K118 WeakPolarHBondContact CA-O 3.44Å
107	L	85.7	Confident	73.7	Confident	8 Å²	8	96.1 Å²	96.1	4%	0.042	52%	0.52	C	S	.	.			trans	-65.6	149.7	174	-66.3	177.3	0	0	0	111.6	P109 F112 E115 K118 V120 F282 A284	L107-P109 WeakPolarHBondContact O-CD 3.37Å; L107-F112 HydrophobicContact CB-CB 4.23Å; L107-F112 HydrophobicContact CB-CD2 3.76Å; L107-F112 HydrophobicContact CB-CE2 4.41Å; L107-F112 HydrophobicContact CB-CG 4.14Å; L107-F112 HydrophobicContact CD1-CB 4.22Å; L107-F112 HydrophobicContact CD1-CD1 4.17Å; L107-F112 HydrophobicContact CD1-CD2 4.18Å; L107-F112 HydrophobicContact CD1-CG 3.93Å; L107-F112 HydrophobicContact CD2-CD2 4.13Å; L107-F112 HydrophobicContact CD2-CE2 3.97Å; L107-F112 HydrophobicContact CD2-CZ 4.35Å; L107-F112 HydrophobicContact CG-CD2 4.25Å; L107-F112 HydrophobicContact CG-CG 4.47Å; L107-E115 HydrophobicContact CD1-CB 4.1Å; L107-K118 HydrophobicContact CD1-CB 4.34Å; L107-K118 HydrophobicContact CD1-CD 3.86Å; L107-K118 HydrophobicContact CD1-CG 4.32Å; L107-V120 HydrophobicContact CD2-CG2 3.52Å; L107-V120 HydrophobicContact CG-CG2 3.93Å; L107-F282 HydrophobicContact CD1-CB 4.05Å; L107-F282 HydrophobicContact CD1-CG 4.35Å; L107-F282 HydrophobicContact CD2-CB 4.25Å; L107-F282 HydrophobicContact CD2-CD1 3.5Å; L107-F282 HydrophobicContact CD2-CD2 4.03Å; L107-F282 HydrophobicContact CD2-CE1 3.74Å; L107-F282 HydrophobicContact CD2-CE2 4.24Å; L107-F282 HydrophobicContact CD2-CG 3.65Å; L107-F282 HydrophobicContact CD2-CZ 4.09Å; L107-A284 HydrophobicContact CD1-CB 4.3Å
108	N	86.9	Confident	75.8	Confident	68 Å²	68	94 Å²	94	36%	0.364	50%	0.499	S	S	.	.			trans	-65.5	116.6	173.7	-179.5	-29.1	0	0	0	109.2	F110 W111 F112	N108-F110 PolarHBondContact O-N 2.74Å; N108-F110 VanDerWaalsContact O-N 3.15Å; N108-F110 WeakPolarHBondContact OD1-CB 3.46Å; N108-F110 WeakPolarHBondContact OD1-CD2 3.31Å; N108-F110 PolarHBondContact OD1-N 3.47Å; N108-W111 HydrophobicContact CB-CB 4.21Å; N108-W111 HydrophobicContact CB-CG 4.36Å; N108-W111 PolarHBondContact O-N 3.08Å; N108-F112 PolarHBondContact O-N 3.36Å
109	P	89.8	Confident	77.8	Confident	65 Å²	65	89.1 Å²	89.1	42%	0.422	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-19.4	-173.8	26.9	-35.6	0	0	0	113.7	L107 T116	L107-P109 WeakPolarHBondContact O-CD 3.37Å; P109-T116 HydrophobicContact CB-CG2 4.45Å
110	F	91.3	Very high	79.8	Confident	137 Å²	137	82.2 Å²	82.2	60%	0.601	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-37.4	173.3	-61.3	-68	0	0	0	111.9	N108 D287 E290	N108-F110 PolarHBondContact O-N 2.74Å; N108-F110 VanDerWaalsContact O-N 3.15Å; N108-F110 WeakPolarHBondContact OD1-CB 3.46Å; N108-F110 WeakPolarHBondContact OD1-CD2 3.31Å; N108-F110 PolarHBondContact OD1-N 3.47Å; F110-D287 WeakPolarHBondContact O-CB 3.44Å; F110-E290 HydrophobicContact CB-CB 4.39Å; F110-E290 HydrophobicContact CB-CG 4.32Å
111	W	92.1	Very high	81.8	Confident	46 Å²	46	81.8 Å²	81.8	17%	0.174	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-27.3	178.9	-73.2	8.8	0	0	0	112.5	N108 Y278 T286 D287 E290 I291 T294	N108-W111 HydrophobicContact CB-CB 4.21Å; N108-W111 HydrophobicContact CB-CG 4.36Å; N108-W111 PolarHBondContact O-N 3.08Å; W111-Y278 HydrophobicContact CE3-CD2 4.23Å; W111-Y278 AromaticContact CE3-CE2 3.91Å; W111-Y278 HydrophobicContact CE3-CE2 3.91Å; W111-Y278 HydrophobicContact CH2-CE2 4.24Å; W111-Y278 HydrophobicContact CZ3-CD2 4.18Å; W111-Y278 AromaticContact CZ3-CE2 3.4Å; W111-Y278 HydrophobicContact CZ3-CE2 3.4Å; W111-Y278 VanDerWaalsContact CZ3-CE2 3.4Å; W111-T286 CarbonylContact O-C 3.2Å; W111-T286 WeakPolarHBondContact O-CA 3.41Å; W111-D287 PolarHBondContact O-N 2.91Å; W111-E290 PolarHBondContact NE1-O 2.91Å; W111-I291 HydrophobicContact CB-CG1 4.44Å; W111-I291 HydrophobicContact CD2-CG1 3.84Å; W111-I291 HydrophobicContact CE3-CG1 4.32Å; W111-I291 HydrophobicContact CG-CG1 3.92Å; W111-I291 HydrophobicContact CZ2-CG1 4.49Å; W111-T294 HydrophobicContact CH2-CG2 4.47Å; W111-T294 HydrophobicContact CZ2-CG2 3.56Å; W111-T294 PolarHBondContact NE1-OG1 2.99Å
112	F	93.3	Very high	83.6	Confident	5 Å²	5	80.9 Å²	80.9	2%	0.022	44%	0.438	C	S	.	.	S	Bend	trans	-126.1	74.1	179.8	-57.9	-88.4	0	0	0	109.7	L107 N108 G114 E115 Y278 F282 A284 T286	L107-F112 HydrophobicContact CB-CB 4.23Å; L107-F112 HydrophobicContact CB-CD2 3.76Å; L107-F112 HydrophobicContact CB-CE2 4.41Å; L107-F112 HydrophobicContact CB-CG 4.14Å; L107-F112 HydrophobicContact CD1-CB 4.22Å; L107-F112 HydrophobicContact CD1-CD1 4.17Å; L107-F112 HydrophobicContact CD1-CD2 4.18Å; L107-F112 HydrophobicContact CD1-CG 3.93Å; L107-F112 HydrophobicContact CD2-CD2 4.13Å; L107-F112 HydrophobicContact CD2-CE2 3.97Å; L107-F112 HydrophobicContact CD2-CZ 4.35Å; L107-F112 HydrophobicContact CG-CD2 4.25Å; L107-F112 HydrophobicContact CG-CG 4.47Å; N108-F112 PolarHBondContact O-N 3.36Å; F112-G114 PolarHBondContact O-N 2.98Å; F112-G114 VanDerWaalsContact O-N 3.16Å; F112-E115 HydrophobicContact CB-CB 4.01Å; F112-E115 HydrophobicContact CB-CG 4.45Å; F112-E115 PolarHBondContact O-N 3.35Å; F112-Y278 HydrophobicContact CZ-CD2 4.46Å; F112-Y278 HydrophobicContact CZ-CG 4.49Å; F112-F282 HydrophobicContact CE1-CB 4.12Å; F112-F282 AromaticContact CE1-CD2 3.71Å; F112-F282 HydrophobicContact CE1-CD2 3.71Å; F112-F282 HydrophobicContact CE1-CG 4.28Å; F112-F282 HydrophobicContact CE2-CD2 4.2Å; F112-F282 HydrophobicContact CE2-CE2 4.41Å; F112-F282 HydrophobicContact CZ-CB 4.5Å; F112-F282 AromaticContact CZ-CD2 3.31Å; F112-F282 HydrophobicContact CZ-CD2 3.31Å; F112-F282 AromaticContact CZ-CE2 3.79Å; F112-F282 HydrophobicContact CZ-CE2 3.79Å; F112-F282 HydrophobicContact CZ-CG 4.16Å; F112-A284 HydrophobicContact CD1-CB 3.71Å; F112-A284 HydrophobicContact CE1-CB 4.35Å; F112-T286 HydrophobicContact CD1-CG2 3.94Å; F112-T286 HydrophobicContact CE1-CG2 3.4Å; F112-T286 VanDerWaalsContact CE1-CG2 3.4Å; F112-T286 HydrophobicContact CZ-CG2 3.96Å
113	P	88.4	Confident	85.5	Confident	75 Å²	75	81.4 Å²	81.4	49%	0.487	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	123.4	179.5	25.4	-33.8	0	0	0	109.6	D287	P113-D287 HydrophobicContact CG-CB 4.17Å
114	G	86.2	Confident	86.7	Confident	71 Å²	71	75.7 Å²	75.7	73%	0.732	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	104	-13.4	-177.5	0	0	0	0	0	115.1	F112	F112-G114 PolarHBondContact O-N 2.98Å; F112-G114 VanDerWaalsContact O-N 3.16Å
115	E	85.7	Confident	87.7	Confident	54 Å²	54	72.5 Å²	72.5	25%	0.252	40%	0.395	S	S	.	.			trans	-108.9	67.4	-177.5	-66.6	-80.5	-147.8	0	0	111.5	L107 F112 K118 A284	L107-E115 HydrophobicContact CD1-CB 4.1Å; F112-E115 HydrophobicContact CB-CB 4.01Å; F112-E115 HydrophobicContact CB-CG 4.45Å; F112-E115 PolarHBondContact O-N 3.35Å; E115-K118 HydrophobicContact CB-CB 4.36Å; E115-K118 HydrophobicContact CG-CD 4.38Å; E115-K118 WeakPolarHBondContact OE1-CD 3.47Å; E115-K118 IonicContact OE1-NZ 2.73Å; E115-K118 PolarHBondContact OE1-NZ 2.87Å; E115-K118 WeakPolarHBondContact OE2-CD 3.22Å; E115-A284 HydrophobicContact CG-CB 3.77Å
116	T	78	Confident	88.3	Confident	86 Å²	86	72.9 Å²	72.9	53%	0.528	40%	0.399	S	S	.	.	S	Bend	trans	-84.9	-13.5	-175.2	56	0	0	0	0	114.4	P109	P109-T116 HydrophobicContact CB-CG2 4.45Å
117	T	82.3	Confident	88.8	Confident	114 Å²	114	70.7 Å²	70.7	70%	0.699	39%	0.391	S	S	*	.	S	Bend	trans	-129.9	2.1	-172.8	57.8	0	0	0	0	113.8	N119	T117-N119 PolarHBondContact O-N 2.04Å
118	K	83.4	Confident	89.1	Confident	48 Å²	48	70.7 Å²	70.7	21%	0.209	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-70.6	116.2	-177.2	-174.7	166	-172.3	170.2	0	110.7	I106 L107 E115 F282 G283	I106-K118 WeakPolarHBondContact CA-O 3.44Å; L107-K118 HydrophobicContact CD1-CB 4.34Å; L107-K118 HydrophobicContact CD1-CD 3.86Å; L107-K118 HydrophobicContact CD1-CG 4.32Å; E115-K118 HydrophobicContact CB-CB 4.36Å; E115-K118 HydrophobicContact CG-CD 4.38Å; E115-K118 WeakPolarHBondContact OE1-CD 3.47Å; E115-K118 IonicContact OE1-NZ 2.73Å; E115-K118 PolarHBondContact OE1-NZ 2.87Å; E115-K118 WeakPolarHBondContact OE2-CD 3.22Å; K118-F282 WeakPolarHBondContact CE-O 3.38Å; K118-F282 PolarHBondContact NZ-O 3.48Å; K118-G283 PolarHBondContact NZ-O 3.46Å; K118-G283 VanDerWaalsContact NZ-O 3.14Å
119	N	86.2	Confident	89.3	Confident	80 Å²	80	71.8 Å²	71.8	43%	0.428	40%	0.398	S	S	.	.	B	Isolated β-bridge	trans	-70.4	128.7	172.5	-69.8	-16.2	0	0	0	110	K104 T117	K104-N119 WeakPolarHBondContact CB-OD1 3.22Å; K104-N119 WeakPolarHBondContact CD-OD1 3.38Å; T117-N119 PolarHBondContact O-N 2.04Å
120	V	87.9	Confident	89.4	Confident	26 Å²	26	73.8 Å²	73.8	16%	0.158	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-81	124.2	173.5	179.5	0	0	0	0	109	K105 L107 Q124 E125 F282	K105-V120 HydrophobicContact CB-CB 4.48Å; K105-V120 HydrophobicContact CG-CB 4.25Å; K105-V120 PolarHBondContact O-N 2.7Å; L107-V120 HydrophobicContact CD2-CG2 3.52Å; L107-V120 HydrophobicContact CG-CG2 3.93Å; V120-Q124 HydrophobicContact CG1-CB 4.21Å; V120-E125 HydrophobicContact CG1-CB 4.32Å; V120-F282 HydrophobicContact CG1-CE1 3.85Å; V120-F282 HydrophobicContact CG2-CE1 4.35Å
121	T	90.4	Very high	89.4	Confident	74 Å²	74	68.4 Å²	68.4	45%	0.454	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-85.1	157.3	173.1	66.2	0	0	0	0	111.1	K123 Q124 E125	T121-K123 VanDerWaalsContact C-N 3.27Å; T121-K123 PolarHBondContact O-N 2.91Å; T121-Q124 WeakPolarHBondContact O-CB 3.43Å; T121-Q124 PolarHBondContact O-N 3.08Å; T121-Q124 VanDerWaalsContact OG1-CG 3.23Å; T121-Q124 WeakPolarHBondContact OG1-CG 3.3Å; T121-Q124 PolarHBondContact OG1-N 2.68Å; T121-Q124 PolarHBondContact OG1-OE1 3.06Å; T121-Q124 VanDerWaalsContact OG1-OE1 3.05Å; T121-E125 PolarHBondContact O-N 3.31Å; T121-E125 VanDerWaalsContact O-N 3.1Å
122	T	90.6	Very high	89.3	Confident	97 Å²	97	68.7 Å²	68.7	60%	0.595	39%	0.386	S	S	*	.	H	α-helix	trans	-53.7	-41.8	175.8	-47.8	0	0	0	0	112.6	Q124 E125 E126	T122-Q124 VanDerWaalsContact C-N 3.3Å; T122-Q124 PolarHBondContact O-N 3.13Å; T122-E125 WeakPolarHBondContact O-CB 3.04Å; T122-E125 PolarHBondContact O-N 3.06Å; T122-E126 HydrophobicContact CG2-CG 4.48Å; T122-E126 WeakPolarHBondContact O-CG 3.37Å; T122-E126 PolarHBondContact O-N 3.1Å
123	K	94.4	Very high	89.1	Confident	172 Å²	172	70.3 Å²	70.3	75%	0.748	40%	0.404	S	S	*	.	H	α-helix	trans	-62.5	-35.1	177.6	-68.5	-175.4	178.7	-179.2	0	113.2	T121 C127	T121-K123 VanDerWaalsContact C-N 3.27Å; T121-K123 PolarHBondContact O-N 2.91Å; K123-C127 WeakPolarHBondContact O-CB 3Å; K123-C127 PolarHBondContact O-N 3.48Å
124	Q	93	Very high	89.2	Confident	36 Å²	36	72 Å²	72	17%	0.168	40%	0.404	C	S	.	.	H	α-helix	trans	-73.2	-37	178.2	-68.5	171.7	-51.9	0	0	111.2	V120 T121 T122 C127 A128 C281 F282	V120-Q124 HydrophobicContact CG1-CB 4.21Å; T121-Q124 WeakPolarHBondContact O-CB 3.43Å; T121-Q124 PolarHBondContact O-N 3.08Å; T121-Q124 VanDerWaalsContact OG1-CG 3.23Å; T121-Q124 WeakPolarHBondContact OG1-CG 3.3Å; T121-Q124 PolarHBondContact OG1-N 2.68Å; T121-Q124 PolarHBondContact OG1-OE1 3.06Å; T121-Q124 VanDerWaalsContact OG1-OE1 3.05Å; T122-Q124 VanDerWaalsContact C-N 3.3Å; T122-Q124 PolarHBondContact O-N 3.13Å; Q124-C127 WeakPolarHBondContact O-CB 3.3Å; Q124-C127 PolarHBondContact O-N 3.07Å; Q124-A128 PolarHBondContact O-N 2.82Å; Q124-C281 WeakPolarHBondContact CG-O 3.36Å; Q124-F282 HydrophobicContact CB-CD1 3.76Å; Q124-F282 HydrophobicContact CB-CE1 3.78Å; Q124-F282 HydrophobicContact CG-CD1 4.38Å
125	E	90.8	Very high	89.3	Confident	66 Å²	66	68.9 Å²	68.9	31%	0.308	37%	0.371	S	S	.	.	H	α-helix	trans	-65.2	-48.2	172.9	172.9	164.7	-161	0	0	112.1	K105 V120 T121 T122 C127 A128 N129	K105-E125 IonicContact NZ-OE1 3.8Å; K105-E125 PolarHBondContact NZ-OE1 3.04Å; K105-E125 IonicContact NZ-OE2 2.67Å; K105-E125 PolarHBondContact NZ-OE2 3.15Å; V120-E125 HydrophobicContact CG1-CB 4.32Å; T121-E125 PolarHBondContact O-N 3.31Å; T121-E125 VanDerWaalsContact O-N 3.1Å; T122-E125 WeakPolarHBondContact O-CB 3.04Å; T122-E125 PolarHBondContact O-N 3.06Å; E125-C127 PolarHBondContact O-N 2.9Å; E125-A128 PolarHBondContact O-N 3.16Å; E125-A128 VanDerWaalsContact O-N 3.07Å; E125-N129 VanDerWaalsContact O-CG 3.29Å; E125-N129 PolarHBondContact O-N 2.94Å
126	E	93.3	Very high	89.5	Confident	118 Å²	118	68.9 Å²	68.9	55%	0.551	37%	0.372	S	S	*	.	H	α-helix	trans	-56.6	-41.5	173.7	-72.6	169.4	-179.9	0	0	111.6	T122 L130	T122-E126 HydrophobicContact CG2-CG 4.48Å; T122-E126 WeakPolarHBondContact O-CG 3.37Å; T122-E126 PolarHBondContact O-N 3.1Å; E126-L130 WeakPolarHBondContact O-CB 3.37Å; E126-L130 PolarHBondContact O-N 3.06Å; E126-L130 VanDerWaalsContact O-N 3.08Å
127	C	95	Very high	90.2	Very high	39 Å²	39	68.6 Å²	68.6	26%	0.264	37%	0.365	S	S	.	.	H	α-helix	trans	-58.6	-51.6	173.4	-176.5	0	0	0	0	110.9	K123 Q124 E125 L130 Q131 C281	K123-C127 WeakPolarHBondContact O-CB 3Å; K123-C127 PolarHBondContact O-N 3.48Å; Q124-C127 WeakPolarHBondContact O-CB 3.3Å; Q124-C127 PolarHBondContact O-N 3.07Å; E125-C127 PolarHBondContact O-N 2.9Å; C127-L130 WeakPolarHBondContact O-CB 3.43Å; C127-L130 PolarHBondContact O-N 3.31Å; C127-Q131 VanDerWaalsContact O-CG 3.3Å; C127-Q131 WeakPolarHBondContact O-CG 3.32Å; C127-Q131 PolarHBondContact O-N 3.02Å; C127-Q131 VanDerWaalsContact O-N 3.16Å; C127-C281 HydrophobicContact CB-CB 3.69Å; C127-C281 WeakPolarHBondContact CB-SG 3.43Å; C127-C281 WeakPolarHBondContact SG-CA 3.27Å; C127-C281 WeakPolarHBondContact SG-CB 3.46Å; C127-C281 CovalentContact SG-SG 2.04Å; C127-C281 PolarHBondContact SG-SG 3.26Å
128	A	92.2	Very high	90.8	Very high	7 Å²	7	65.3 Å²	65.3	6%	0.058	34%	0.343	C	S	.	.	H	α-helix	trans	-60.8	-46.7	-178.8	0	0	0	0	0	112.3	Q124 E125 L130 Q131 D132 Y278 F282	Q124-A128 PolarHBondContact O-N 2.82Å; E125-A128 PolarHBondContact O-N 3.16Å; E125-A128 VanDerWaalsContact O-N 3.07Å; A128-L130 VanDerWaalsContact C-N 3.27Å; A128-L130 PolarHBondContact O-N 3.1Å; A128-Q131 WeakPolarHBondContact O-CA 3.43Å; A128-Q131 PolarHBondContact O-N 2.84Å; A128-D132 PolarHBondContact O-N 2.89Å; A128-Y278 HydrophobicContact CB-CD1 4.21Å; A128-Y278 HydrophobicContact CB-CE1 3.97Å; A128-F282 HydrophobicContact CB-CE2 3.98Å; A128-F282 HydrophobicContact CB-CZ 3.63Å
129	N	91.2	Very high	91.3	Very high	92 Å²	92	63.9 Å²	63.9	49%	0.492	34%	0.337	S	S	.	.	H	α-helix	trans	-58.1	-39.8	177.4	-67.6	-14.7	0	0	0	111.8	E125 Q131 D132 G133	E125-N129 VanDerWaalsContact O-CG 3.29Å; E125-N129 PolarHBondContact O-N 2.94Å; N129-Q131 VanDerWaalsContact C-N 3.31Å; N129-Q131 PolarHBondContact O-N 3.2Å; N129-D132 PolarHBondContact O-N 3.26Å; N129-G133 PolarHBondContact O-N 3.39Å
130	L	92.1	Very high	91.7	Very high	107 Å²	107	60.3 Å²	60.3	56%	0.56	32%	0.318	S	S	*	.	H	α-helix	trans	-63.9	-35.6	174.2	-179.2	66.1	0	0	0	112.3	E126 C127 A128 K134	E126-L130 WeakPolarHBondContact O-CB 3.37Å; E126-L130 PolarHBondContact O-N 3.06Å; E126-L130 VanDerWaalsContact O-N 3.08Å; C127-L130 WeakPolarHBondContact O-CB 3.43Å; C127-L130 PolarHBondContact O-N 3.31Å; A128-L130 VanDerWaalsContact C-N 3.27Å; A128-L130 PolarHBondContact O-N 3.1Å; L130-K134 PolarHBondContact O-N 3.39Å
131	Q	91.7	Very high	92.1	Very high	24 Å²	24	63.7 Å²	63.7	11%	0.112	33%	0.332	C	S	.	.	H	α-helix	trans	-75.3	-33.2	177.6	-49.6	-49.9	-39.9	0	0	112.1	C127 A128 N129 G133 K134 A135 S277	C127-Q131 VanDerWaalsContact O-CG 3.3Å; C127-Q131 WeakPolarHBondContact O-CG 3.32Å; C127-Q131 PolarHBondContact O-N 3.02Å; C127-Q131 VanDerWaalsContact O-N 3.16Å; A128-Q131 WeakPolarHBondContact O-CA 3.43Å; A128-Q131 PolarHBondContact O-N 2.84Å; N129-Q131 VanDerWaalsContact C-N 3.31Å; N129-Q131 PolarHBondContact O-N 3.2Å; Q131-G133 VanDerWaalsContact C-N 3.29Å; Q131-G133 PolarHBondContact O-N 3.06Å; Q131-K134 PolarHBondContact O-N 2.8Å; Q131-K134 VanDerWaalsContact O-N 3.12Å; Q131-K134 VanDerWaalsContact OE1-NZ 3.11Å; Q131-A135 PolarHBondContact O-N 3.31Å; Q131-S277 VanDerWaalsContact CG-CB 3.44Å
132	D	89.8	Confident	92.4	Very high	51 Å²	51	60.8 Å²	60.8	27%	0.273	32%	0.315	S	S	.	.	H	α-helix	trans	-58.3	-45.2	173	-67.5	-8	0	0	0	110.4	A128 N129 K134 A135 I136 Y278	A128-D132 PolarHBondContact O-N 2.89Å; N129-D132 PolarHBondContact O-N 3.26Å; D132-K134 VanDerWaalsContact C-N 3.31Å; D132-K134 PolarHBondContact O-N 2.64Å; D132-A135 WeakPolarHBondContact O-CB 3.34Å; D132-A135 PolarHBondContact O-N 2.87Å; D132-A135 VanDerWaalsContact O-N 3.13Å; D132-I136 WeakPolarHBondContact O-CG1 3.34Å; D132-I136 PolarHBondContact O-N 3.29Å; D132-Y278 VanDerWaalsContact OD1-CE1 3.3Å; D132-Y278 WeakPolarHBondContact OD1-CE1 3.2Å; D132-Y278 VanDerWaalsContact OD1-CZ 3.26Å; D132-Y278 PolarHBondContact OD1-OH 2.85Å
133	G	89.3	Confident	92.6	Very high	40 Å²	40	56.2 Å²	56.2	41%	0.412	29%	0.287	S	S	.	.	H	α-helix	trans	-57.5	-40	174.1	0	0	0	0	0	113.4	N129 Q131 I136 E137	N129-G133 PolarHBondContact O-N 3.39Å; Q131-G133 VanDerWaalsContact C-N 3.29Å; Q131-G133 PolarHBondContact O-N 3.06Å; G133-I136 PolarHBondContact O-N 3.46Å; G133-E137 PolarHBondContact O-N 3.33Å; G133-E137 VanDerWaalsContact O-N 3.08Å
134	K	89	Confident	92.6	Very high	111 Å²	111	50.7 Å²	50.7	48%	0.483	26%	0.264	S	S	.	.	H	α-helix	trans	-70.9	-33.9	175.7	-66.6	-179.9	-167.9	165.1	0	113.1	L130 Q131 D132 E137	L130-K134 PolarHBondContact O-N 3.39Å; Q131-K134 PolarHBondContact O-N 2.8Å; Q131-K134 VanDerWaalsContact O-N 3.12Å; Q131-K134 VanDerWaalsContact OE1-NZ 3.11Å; D132-K134 VanDerWaalsContact C-N 3.31Å; D132-K134 PolarHBondContact O-N 2.64Å; K134-E137 WeakPolarHBondContact O-CB 3.45Å; K134-E137 PolarHBondContact O-N 3.09Å
135	A	88.6	Confident	92.7	Very high	5 Å²	5	56.4 Å²	56.4	4%	0.041	29%	0.288	C	S	.	.	H	α-helix	trans	-67.6	-39.6	175.3	0	0	0	0	0	111	Q131 D132 E137 L138 V270 L274	Q131-A135 PolarHBondContact O-N 3.31Å; D132-A135 WeakPolarHBondContact O-CB 3.34Å; D132-A135 PolarHBondContact O-N 2.87Å; D132-A135 VanDerWaalsContact O-N 3.13Å; A135-E137 VanDerWaalsContact C-N 3.28Å; A135-E137 PolarHBondContact O-N 2.84Å; A135-L138 WeakPolarHBondContact O-CB 3.44Å; A135-L138 PolarHBondContact O-N 3.18Å; A135-V270 HydrophobicContact CB-CG1 4.21Å; A135-L274 HydrophobicContact CB-CD2 3.73Å; A135-L274 HydrophobicContact CB-CG 4.02Å
136	I	90.1	Very high	92.8	Very high	53 Å²	53	55.8 Å²	55.8	27%	0.272	29%	0.289	S	S	.	.	H	α-helix	trans	-62	-38.2	173.1	-68.6	161.6	0	0	0	111	D132 G133 L138 I139 T140 F152 D155	D132-I136 WeakPolarHBondContact O-CG1 3.34Å; D132-I136 PolarHBondContact O-N 3.29Å; G133-I136 PolarHBondContact O-N 3.46Å; I136-L138 PolarHBondContact O-N 2.89Å; I136-I139 WeakPolarHBondContact O-CA 3.45Å; I136-I139 WeakPolarHBondContact O-CB 3.42Å; I136-I139 PolarHBondContact O-N 3.13Å; I136-T140 PolarHBondContact O-N 3.4Å; I136-T140 PolarHBondContact O-OG1 3.38Å; I136-F152 HydrophobicContact CG2-CD2 3.58Å; I136-F152 HydrophobicContact CG2-CE2 3.89Å; I136-D155 VanDerWaalsContact CD1-O 3.23Å; I136-D155 WeakPolarHBondContact CD1-O 2.88Å
137	E	92.7	Very high	92.8	Very high	80 Å²	80	50.4 Å²	50.4	37%	0.374	26%	0.264	S	S	.	.	H	α-helix	trans	-59.1	-30.6	178.1	-175.2	60.1	-153.9	0	0	112.7	G133 K134 A135 I139 T140 Q141	G133-E137 PolarHBondContact O-N 3.33Å; G133-E137 VanDerWaalsContact O-N 3.08Å; K134-E137 WeakPolarHBondContact O-CB 3.45Å; K134-E137 PolarHBondContact O-N 3.09Å; A135-E137 VanDerWaalsContact C-N 3.28Å; A135-E137 PolarHBondContact O-N 2.84Å; E137-I139 VanDerWaalsContact C-N 3.33Å; E137-I139 PolarHBondContact O-N 2.91Å; E137-T140 PolarHBondContact O-N 3.42Å; E137-Q141 HydrophobicContact CG-CG 4.36Å; E137-Q141 WeakPolarHBondContact O-CB 3.29Å; E137-Q141 VanDerWaalsContact O-CG 3.23Å; E137-Q141 WeakPolarHBondContact O-CG 3.42Å; E137-Q141 PolarHBondContact O-N 2.74Å; E137-Q141 PolarHBondContact OE1-NE2 3.5Å
138	L	94.5	Very high	92.8	Very high	45 Å²	45	51.9 Å²	51.9	24%	0.236	27%	0.273	C	S	.	.	H	α-helix	trans	-61.2	-43.1	172.8	-64.8	168.2	0	0	0	111.5	A135 I136 C142 N269 V270	A135-L138 WeakPolarHBondContact O-CB 3.44Å; A135-L138 PolarHBondContact O-N 3.18Å; I136-L138 PolarHBondContact O-N 2.89Å; L138-C142 PolarHBondContact O-N 2.96Å; L138-C142 VanDerWaalsContact O-N 3.12Å; L138-N269 HydrophobicContact CD1-CB 4.07Å; L138-V270 HydrophobicContact CB-CG2 4.25Å; L138-V270 HydrophobicContact CD1-CG2 4.09Å
139	I	94.7	Very high	92.8	Very high	18 Å²	18	54 Å²	54	9%	0.092	30%	0.296	C	S	.	.	H	α-helix	trans	-68	-43.6	176.7	-52.9	173.7	0	0	0	109.4	I136 E137 Q141 C142 V143 F152 C262 A263 V270 Y295	I136-I139 WeakPolarHBondContact O-CA 3.45Å; I136-I139 WeakPolarHBondContact O-CB 3.42Å; I136-I139 PolarHBondContact O-N 3.13Å; E137-I139 VanDerWaalsContact C-N 3.33Å; E137-I139 PolarHBondContact O-N 2.91Å; I139-Q141 PolarHBondContact O-N 2.87Å; I139-C142 WeakPolarHBondContact O-CB 2.92Å; I139-C142 PolarHBondContact O-N 3.2Å; I139-V143 WeakPolarHBondContact O-CG2 3.45Å; I139-V143 PolarHBondContact O-N 3.11Å; I139-F152 HydrophobicContact CB-CE2 4.25Å; I139-F152 HydrophobicContact CB-CZ 4.47Å; I139-F152 HydrophobicContact CG2-CE2 4.09Å; I139-F152 HydrophobicContact CG2-CZ 3.82Å; I139-C262 HydrophobicContact CG2-CB 4.01Å; I139-A263 HydrophobicContact CD1-CB 4.13Å; I139-A263 HydrophobicContact CG2-CB 4.2Å; I139-V270 HydrophobicContact CD1-CG2 4.34Å; I139-V270 HydrophobicContact CG1-CG2 4.02Å; I139-Y295 WeakPolarHBondContact CD1-OH 3.43Å
140	T	94.7	Very high	92.9	Very high	5 Å²	5	49.7 Å²	49.7	3%	0.031	27%	0.273	C	S	.	.	H	α-helix	trans	-58.3	-46.1	177	-56.5	0	0	0	0	111.6	I136 E137 C142 V143 Q144 F150 F152	I136-T140 PolarHBondContact O-N 3.4Å; I136-T140 PolarHBondContact O-OG1 3.38Å; E137-T140 PolarHBondContact O-N 3.42Å; T140-C142 VanDerWaalsContact C-N 3.31Å; T140-C142 PolarHBondContact O-N 3.2Å; T140-V143 PolarHBondContact O-N 2.59Å; T140-V143 VanDerWaalsContact O-N 3.13Å; T140-Q144 HydrophobicContact CG2-CG 4.41Å; T140-Q144 VanDerWaalsContact O-CG 3.27Å; T140-Q144 WeakPolarHBondContact O-CG 3.37Å; T140-Q144 PolarHBondContact O-N 3.36Å; T140-F150 HydrophobicContact CG2-CD1 4.22Å; T140-F150 WeakPolarHBondContact CG2-O 3.42Å; T140-F152 WeakPolarHBondContact OG1-CD2 3.28Å; T140-F152 VanDerWaalsContact OG1-CE2 3.25Å; T140-F152 WeakPolarHBondContact OG1-CE2 3.2Å
141	Q	95.6	Very high	93	Very high	97 Å²	97	52 Å²	52	45%	0.453	28%	0.278	S	S	.	.	H	α-helix	trans	-62.4	-37.1	176.9	-74.3	172.6	10.4	0	0	112.4	E137 I139 Q144 K145	E137-Q141 HydrophobicContact CG-CG 4.36Å; E137-Q141 WeakPolarHBondContact O-CB 3.29Å; E137-Q141 VanDerWaalsContact O-CG 3.23Å; E137-Q141 WeakPolarHBondContact O-CG 3.42Å; E137-Q141 PolarHBondContact O-N 2.74Å; E137-Q141 PolarHBondContact OE1-NE2 3.5Å; I139-Q141 PolarHBondContact O-N 2.87Å; Q141-Q144 PolarHBondContact O-N 3.28Å; Q141-K145 PolarHBondContact O-N 3.5Å
142	C	96.5	Very high	93	Very high	14 Å²	14	52.4 Å²	52.4	10%	0.095	28%	0.28	C	S	.	.	H	α-helix	trans	-61.3	-47.1	172	173.5	0	0	0	0	111.5	L138 I139 T140 Q144 K145 C262 E266	L138-C142 PolarHBondContact O-N 2.96Å; L138-C142 VanDerWaalsContact O-N 3.12Å; I139-C142 WeakPolarHBondContact O-CB 2.92Å; I139-C142 PolarHBondContact O-N 3.2Å; T140-C142 VanDerWaalsContact C-N 3.31Å; T140-C142 PolarHBondContact O-N 3.2Å; C142-Q144 VanDerWaalsContact C-N 3.28Å; C142-Q144 PolarHBondContact O-N 2.97Å; C142-K145 WeakPolarHBondContact O-CB 3.34Å; C142-K145 PolarHBondContact O-N 3.31Å; C142-C262 HydrophobicContact CB-CB 3.56Å; C142-C262 WeakPolarHBondContact CB-SG 3.41Å; C142-C262 WeakPolarHBondContact SG-CA 3.44Å; C142-C262 WeakPolarHBondContact SG-CB 3.29Å; C142-C262 CovalentContact SG-SG 2.05Å; C142-C262 PolarHBondContact SG-SG 3.11Å; C142-E266 HydrophobicContact CB-CG 3.82Å
143	V	95.4	Very high	92.8	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-63	-37.6	178.2	177.3	0	0	0	0	111	I139 T140 K145 T146 V147 F150 L258 A259 C262	I139-V143 WeakPolarHBondContact O-CG2 3.45Å; I139-V143 PolarHBondContact O-N 3.11Å; T140-V143 PolarHBondContact O-N 2.59Å; T140-V143 VanDerWaalsContact O-N 3.13Å; V143-K145 PolarHBondContact O-N 3.24Å; V143-T146 PolarHBondContact O-N 2.91Å; V143-V147 PolarHBondContact O-N 2.87Å; V143-F150 HydrophobicContact CB-CD1 3.72Å; V143-F150 HydrophobicContact CB-CE1 4.1Å; V143-F150 HydrophobicContact CB-CG 4.34Å; V143-F150 HydrophobicContact CG1-CB 4Å; V143-F150 HydrophobicContact CG1-CD1 3.32Å; V143-F150 HydrophobicContact CG1-CD2 4.1Å; V143-F150 HydrophobicContact CG1-CE1 3.76Å; V143-F150 HydrophobicContact CG1-CE2 4.47Å; V143-F150 HydrophobicContact CG1-CG 3.51Å; V143-F150 HydrophobicContact CG1-CZ 4.31Å; V143-F150 HydrophobicContact CG2-CD1 4.43Å; V143-F150 HydrophobicContact CG2-CE1 4.32Å; V143-L258 HydrophobicContact CB-CD2 4.49Å; V143-L258 HydrophobicContact CB-CG 4.49Å; V143-L258 HydrophobicContact CG1-CD2 3.71Å; V143-L258 HydrophobicContact CG1-CG 4.08Å; V143-L258 HydrophobicContact CG2-CG 4.34Å; V143-A259 HydrophobicContact CG2-CB 4.38Å; V143-C262 HydrophobicContact CG2-CB 3.9Å; V143-C262 PolarHBondContact N-SG 3.05Å
144	Q	95.4	Very high	92.5	Very high	57 Å²	57	52.1 Å²	52.1	27%	0.266	27%	0.267	S	S	.	.	H	α-helix	trans	-62.7	-21.6	178.7	-75.4	172.1	-4.7	0	0	114.1	T140 Q141 C142 T146 V147 F150	T140-Q144 HydrophobicContact CG2-CG 4.41Å; T140-Q144 VanDerWaalsContact O-CG 3.27Å; T140-Q144 WeakPolarHBondContact O-CG 3.37Å; T140-Q144 PolarHBondContact O-N 3.36Å; Q141-Q144 PolarHBondContact O-N 3.28Å; C142-Q144 VanDerWaalsContact C-N 3.28Å; C142-Q144 PolarHBondContact O-N 2.97Å; Q144-T146 PolarHBondContact O-N 2.87Å; Q144-V147 WeakPolarHBondContact CA-O 3.3Å; Q144-V147 CarbonylContact O-C 3.56Å; Q144-F150 HydrophobicContact CG-CB 4.19Å; Q144-F150 PolarHBondContact NE2-O 3.28Å
145	K	94.6	Very high	91.9	Very high	155 Å²	155	54.3 Å²	54.3	67%	0.674	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-27.9	172.2	-65.2	169.8	-174.5	163.7	0	112	Q141 C142 V143 E266	Q141-K145 PolarHBondContact O-N 3.5Å; C142-K145 WeakPolarHBondContact O-CB 3.34Å; C142-K145 PolarHBondContact O-N 3.31Å; V143-K145 PolarHBondContact O-N 3.24Å; K145-E266 IonicContact NZ-OE1 2.63Å
146	T	93.2	Very high	91.2	Very high	54 Å²	54	57 Å²	57	33%	0.331	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-36.3	-179.9	-54.6	0	0	0	0	112.2	V143 Q144 P148 W251 L258	V143-T146 PolarHBondContact O-N 2.91Å; Q144-T146 PolarHBondContact O-N 2.87Å; T146-P148 WeakPolarHBondContact O-CD 3.41Å; T146-W251 HydrophobicContact CG2-CH2 3.44Å; T146-W251 VanDerWaalsContact CG2-CH2 3.44Å; T146-W251 HydrophobicContact CG2-CZ3 3.42Å; T146-W251 VanDerWaalsContact CG2-CZ3 3.42Å; T146-L258 HydrophobicContact CG2-CD2 3.97Å
147	V	93.3	Very high	91.1	Very high	5 Å²	5	55 Å²	55	3%	0.03	29%	0.294	C	S	.	.	S	Bend	trans	-120.6	84.5	177.4	-174.5	0	0	0	0	109.4	A28 I31 V143 Q144 G149 F150 W251 L258	A28-V147 HydrophobicContact CB-CG1 4.25Å; I31-V147 HydrophobicContact CD1-CG1 3.72Å; V143-V147 PolarHBondContact O-N 2.87Å; Q144-V147 WeakPolarHBondContact CA-O 3.3Å; Q144-V147 CarbonylContact O-C 3.56Å; V147-G149 PolarHBondContact O-N 3.18Å; V147-F150 HydrophobicContact CB-CB 4.16Å; V147-F150 HydrophobicContact CG1-CB 4.11Å; V147-F150 VanDerWaalsContact O-CB 3.24Å; V147-F150 WeakPolarHBondContact O-CB 3.42Å; V147-F150 PolarHBondContact O-N 3.12Å; V147-F150 VanDerWaalsContact O-N 3.1Å; V147-W251 HydrophobicContact CG2-CD2 4.36Å; V147-W251 HydrophobicContact CG2-CE3 3.68Å; V147-W251 HydrophobicContact CG2-CZ3 3.97Å; V147-L258 HydrophobicContact CG2-CD2 3.87Å
148	P	93.7	Very high	91	Very high	69 Å²	69	51.3 Å²	51.3	45%	0.448	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	134.6	-179.6	-27.1	35.5	0	0	0	112.1	A28 T146 F150	A28-P148 WeakPolarHBondContact CB-O 3.45Å; T146-P148 WeakPolarHBondContact O-CD 3.41Å; P148-F150 VanDerWaalsContact C-N 3.3Å; P148-F150 PolarHBondContact O-N 3.39Å
149	G	92.7	Very high	90.7	Very high	52 Å²	52	49.4 Å²	49.4	54%	0.536	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	0.6	-179.1	0	0	0	0	0	115.5	A28 V147 K151	A28-G149 WeakPolarHBondContact CB-O 3.4Å; V147-G149 PolarHBondContact O-N 3.18Å; G149-K151 PolarHBondContact O-N 2.9Å
150	F	94.4	Very high	90.3	Very high	1 Å²	1	48.8 Å²	48.8	0%	0.004	26%	0.264	C	S	.	.			trans	-55.6	139.4	175.3	176	-96	0	0	0	111.8	I31 T140 V143 Q144 V147 P148 F152 L158 T255	I31-F150 HydrophobicContact CG2-CD2 4.33Å; I31-F150 HydrophobicContact CG2-CE2 4.04Å; T140-F150 HydrophobicContact CG2-CD1 4.22Å; T140-F150 WeakPolarHBondContact CG2-O 3.42Å; V143-F150 HydrophobicContact CB-CD1 3.72Å; V143-F150 HydrophobicContact CB-CE1 4.1Å; V143-F150 HydrophobicContact CB-CG 4.34Å; V143-F150 HydrophobicContact CG1-CB 4Å; V143-F150 HydrophobicContact CG1-CD1 3.32Å; V143-F150 HydrophobicContact CG1-CD2 4.1Å; V143-F150 HydrophobicContact CG1-CE1 3.76Å; V143-F150 HydrophobicContact CG1-CE2 4.47Å; V143-F150 HydrophobicContact CG1-CG 3.51Å; V143-F150 HydrophobicContact CG1-CZ 4.31Å; V143-F150 HydrophobicContact CG2-CD1 4.43Å; V143-F150 HydrophobicContact CG2-CE1 4.32Å; Q144-F150 HydrophobicContact CG-CB 4.19Å; Q144-F150 PolarHBondContact NE2-O 3.28Å; V147-F150 HydrophobicContact CB-CB 4.16Å; V147-F150 HydrophobicContact CG1-CB 4.11Å; V147-F150 VanDerWaalsContact O-CB 3.24Å; V147-F150 WeakPolarHBondContact O-CB 3.42Å; V147-F150 PolarHBondContact O-N 3.12Å; V147-F150 VanDerWaalsContact O-N 3.1Å; P148-F150 VanDerWaalsContact C-N 3.3Å; P148-F150 PolarHBondContact O-N 3.39Å; F150-F152 AromaticContact CE1-CD1 3.86Å; F150-F152 HydrophobicContact CE1-CD1 3.86Å; F150-F152 HydrophobicContact CE1-CD2 4.25Å; F150-F152 AromaticContact CE1-CE1 3.89Å; F150-F152 HydrophobicContact CE1-CE1 3.89Å; F150-F152 HydrophobicContact CE1-CE2 4.27Å; F150-F152 HydrophobicContact CE1-CG 4.05Å; F150-F152 HydrophobicContact CE1-CZ 4.09Å; F150-F152 AromaticContact CZ-CD1 3.74Å; F150-F152 HydrophobicContact CZ-CD1 3.74Å; F150-F152 AromaticContact CZ-CE1 3.92Å; F150-F152 HydrophobicContact CZ-CE1 3.92Å; F150-F152 HydrophobicContact CZ-CG 4.25Å; F150-L158 HydrophobicContact CE2-CD2 4.42Å; F150-L158 HydrophobicContact CZ-CD2 4.11Å; F150-T255 HydrophobicContact CD2-CG2 4.07Å; F150-T255 HydrophobicContact CE2-CG2 3.41Å; F150-T255 VanDerWaalsContact CE2-CG2 3.41Å; F150-T255 HydrophobicContact CZ-CG2 3.96Å
151	K	92.7	Very high	89.7	Confident	155 Å²	155	50.7 Å²	50.7	67%	0.674	27%	0.272	S	S	*	.			trans	-134	148.1	166.3	-67.4	-172	176.8	-173.3	0	108.5	G149	G149-K151 PolarHBondContact O-N 2.9Å
152	F	91.6	Very high	89.1	Confident	34 Å²	34	49.5 Å²	49.5	15%	0.149	27%	0.272	C	S	.	.			trans	-65.5	135.2	167.1	-72.1	-69.4	0	0	0	109.3	I136 I139 T140 F150 Y154 L158 A259	I136-F152 HydrophobicContact CG2-CD2 3.58Å; I136-F152 HydrophobicContact CG2-CE2 3.89Å; I139-F152 HydrophobicContact CB-CE2 4.25Å; I139-F152 HydrophobicContact CB-CZ 4.47Å; I139-F152 HydrophobicContact CG2-CE2 4.09Å; I139-F152 HydrophobicContact CG2-CZ 3.82Å; T140-F152 WeakPolarHBondContact OG1-CD2 3.28Å; T140-F152 VanDerWaalsContact OG1-CE2 3.25Å; T140-F152 WeakPolarHBondContact OG1-CE2 3.2Å; F150-F152 AromaticContact CE1-CD1 3.86Å; F150-F152 HydrophobicContact CE1-CD1 3.86Å; F150-F152 HydrophobicContact CE1-CD2 4.25Å; F150-F152 AromaticContact CE1-CE1 3.89Å; F150-F152 HydrophobicContact CE1-CE1 3.89Å; F150-F152 HydrophobicContact CE1-CE2 4.27Å; F150-F152 HydrophobicContact CE1-CG 4.05Å; F150-F152 HydrophobicContact CE1-CZ 4.09Å; F150-F152 AromaticContact CZ-CD1 3.74Å; F150-F152 HydrophobicContact CZ-CD1 3.74Å; F150-F152 AromaticContact CZ-CE1 3.92Å; F150-F152 HydrophobicContact CZ-CE1 3.92Å; F150-F152 HydrophobicContact CZ-CG 4.25Å; F152-Y154 PolarHBondContact O-N 3.11Å; F152-L158 HydrophobicContact CD1-CD2 4.15Å; F152-L158 HydrophobicContact CD1-CG 4.01Å; F152-L158 HydrophobicContact CE1-CG 4.02Å; F152-A259 HydrophobicContact CE1-CB 4.09Å; F152-A259 HydrophobicContact CZ-CB 4.39Å
153	P	87	Confident	88.6	Confident	30 Å²	30	51 Å²	51	20%	0.195	28%	0.279	C	S	.	.	S	Bend	trans	-72.9	-17.2	179.9	28.4	-33.2	0	0	0	112.8	Y35 L158	Y35-P153 HydrophobicContact CD1-CG 4.49Å; Y35-P153 HydrophobicContact CD2-CG 3.99Å; Y35-P153 HydrophobicContact CG-CB 4.44Å; Y35-P153 HydrophobicContact CG-CG 3.84Å; P153-L158 HydrophobicContact CG-CD2 4.18Å
154	Y	83.3	Confident	88.1	Confident	55 Å²	55	51.7 Å²	51.7	22%	0.216	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-136.5	155.7	178	-51.4	-74.1	0	0	0	110.9	Y35 K39 F152 S156 G157 P159	Y35-Y154 PolarHBondContact O-OH 3.46Å; K39-Y154 WeakPolarHBondContact CB-OH 3.49Å; K39-Y154 HydrophobicContact CD-CE1 3.71Å; K39-Y154 WeakPolarHBondContact CD-OH 3.17Å; K39-Y154 HydrophobicContact CG-CE1 4.26Å; K39-Y154 WeakPolarHBondContact CG-OH 3.11Å; F152-Y154 PolarHBondContact O-N 3.11Å; Y154-S156 PolarHBondContact O-N 3.27Å; Y154-G157 PolarHBondContact O-N 3.26Å; Y154-P159 HydrophobicContact CD2-CB 4.08Å; Y154-P159 HydrophobicContact CD2-CG 3.97Å; Y154-P159 HydrophobicContact CE2-CB 3.99Å; Y154-P159 HydrophobicContact CE2-CG 3.57Å
155	D	76.4	Confident	87.6	Confident	156 Å²	156	52.1 Å²	52.1	83%	0.834	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-28	176	-63.6	-23.7	0	0	0	112.3	I136 G157	I136-D155 VanDerWaalsContact CD1-O 3.23Å; I136-D155 WeakPolarHBondContact CD1-O 2.88Å; D155-G157 VanDerWaalsContact C-N 3.28Å; D155-G157 PolarHBondContact O-N 2.94Å
156	S	74	Confident	87.1	Confident	63 Å²	63	48.8 Å²	48.8	44%	0.441	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	3	176.4	71.9	0	0	0	0	113.9	Y154 K302	Y154-S156 PolarHBondContact O-N 3.27Å; S156-K302 PolarHBondContact O-NZ 2.96Å
157	G	86.5	Confident	86.8	Confident	10 Å²	10	49.3 Å²	49.3	10%	0.103	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	97.7	-144.3	-178.4	0	0	0	0	0	113.5	Y154 D155	Y154-G157 PolarHBondContact O-N 3.26Å; D155-G157 VanDerWaalsContact C-N 3.28Å; D155-G157 PolarHBondContact O-N 2.94Å
158	L	90.3	Very high	86.5	Confident	2 Å²	2	49 Å²	49	1%	0.01	27%	0.271	C	S	.	.	S	Bend	trans	-77.5	134.6	173.1	-61.8	177.3	0	0	0	110	Y35 F150 F152 P153 T255 R256 A259 M306	Y35-L158 HydrophobicContact CD2-CD2 4.2Å; Y35-L158 HydrophobicContact CE2-CD2 3.58Å; F150-L158 HydrophobicContact CE2-CD2 4.42Å; F150-L158 HydrophobicContact CZ-CD2 4.11Å; F152-L158 HydrophobicContact CD1-CD2 4.15Å; F152-L158 HydrophobicContact CD1-CG 4.01Å; F152-L158 HydrophobicContact CE1-CG 4.02Å; P153-L158 HydrophobicContact CG-CD2 4.18Å; L158-T255 HydrophobicContact CD1-CG2 4.07Å; L158-T255 HydrophobicContact CD2-CG2 4.41Å; L158-R256 HydrophobicContact CD1-CB 4.47Å; L158-R256 HydrophobicContact CD1-CG 4.02Å; L158-A259 HydrophobicContact CD1-CB 3.78Å; L158-M306 HydrophobicContact CB-CE 3.68Å; L158-M306 HydrophobicContact CB-SD 4.44Å; L158-M306 HydrophobicContact CD1-CE 4.45Å; L158-M306 HydrophobicContact CD1-SD 4.35Å
159	P	88.8	Confident	86.1	Confident	6 Å²	6	48.3 Å²	48.3	4%	0.039	27%	0.268	C	S	.	.			trans	-74.1	142.6	-179.1	35.1	-37.6	0	0	0	110.7	Y35 Y154 Y164	Y35-P159 HydrophobicContact CD1-CG 3.51Å; Y35-P159 HydrophobicContact CE1-CG 3.76Å; Y154-P159 HydrophobicContact CD2-CB 4.08Å; Y154-P159 HydrophobicContact CD2-CG 3.97Å; Y154-P159 HydrophobicContact CE2-CB 3.99Å; Y154-P159 HydrophobicContact CE2-CG 3.57Å; P159-Y164 HydrophobicContact CB-CE2 3.78Å; P159-Y164 HydrophobicContact CG-CE2 4.11Å; P159-Y164 WeakPolarHBondContact CG-OH 3.48Å
160	T	86.2	Confident	85.8	Confident	4 Å²	4	52 Å²	52	3%	0.025	27%	0.271	C	S	.	.			trans	-115.2	167.7	174.3	70.6	0	0	0	0	109.9	V162 D163 Y164 A305 M306 D309	T160-V162 PolarHBondContact O-N 3.1Å; T160-V162 VanDerWaalsContact O-N 3.15Å; T160-V162 PolarHBondContact OG1-N 3.01Å; T160-D163 WeakPolarHBondContact CA-OD2 3.37Å; T160-D163 WeakPolarHBondContact CB-OD2 3.4Å; T160-D163 PolarHBondContact N-OD2 3.23Å; T160-D163 WeakPolarHBondContact O-CB 3.4Å; T160-D163 PolarHBondContact O-N 3.13Å; T160-D163 PolarHBondContact OG1-OD2 2.93Å; T160-Y164 WeakPolarHBondContact O-CD2 3.48Å; T160-Y164 PolarHBondContact O-N 2.86Å; T160-A305 HydrophobicContact CG2-CB 4.05Å; T160-M306 HydrophobicContact CG2-CE 3.99Å; T160-M306 HydrophobicContact CG2-CG 3.64Å; T160-D309 WeakPolarHBondContact CA-OD2 3.39Å
161	K	81.8	Confident	85.5	Confident	45 Å²	45	52.9 Å²	52.9	20%	0.196	28%	0.278	C	S	.	.	H	α-helix	trans	-46.2	-42.3	170.6	169.1	176.2	-164.1	174.8	0	112.9	D163 Y164 M165 F230 D309	K161-D163 VanDerWaalsContact C-N 3.32Å; K161-D163 PolarHBondContact O-N 2.96Å; K161-Y164 PolarHBondContact O-N 2.98Å; K161-M165 HydrophobicContact CD-SD 4.11Å; K161-M165 WeakPolarHBondContact CE-SD 3.32Å; K161-M165 HydrophobicContact CG-CG 4.09Å; K161-M165 HydrophobicContact CG-SD 3.71Å; K161-M165 WeakPolarHBondContact O-CB 3.26Å; K161-M165 VanDerWaalsContact O-CG 3.32Å; K161-M165 WeakPolarHBondContact O-CG 3.21Å; K161-M165 PolarHBondContact O-N 3.27Å; K161-F230 HydrophobicContact CB-CD2 4.09Å; K161-F230 HydrophobicContact CB-CE2 3.5Å; K161-F230 VanDerWaalsContact CB-CE2 3.5Å; K161-F230 HydrophobicContact CB-CZ 4.23Å; K161-F230 HydrophobicContact CD-CD1 4.27Å; K161-F230 HydrophobicContact CD-CD2 3.71Å; K161-F230 HydrophobicContact CD-CE1 3.89Å; K161-F230 HydrophobicContact CD-CE2 3.29Å; K161-F230 HydrophobicContact CD-CG 4.18Å; K161-F230 HydrophobicContact CD-CZ 3.38Å; K161-F230 VanDerWaalsContact CE-CD1 3.47Å; K161-F230 VanDerWaalsContact CE-CG 3.48Å; K161-F230 HydrophobicContact CG-CD2 3.45Å; K161-F230 VanDerWaalsContact CG-CD2 3.45Å; K161-F230 HydrophobicContact CG-CE2 3.24Å; K161-F230 HydrophobicContact CG-CG 4.26Å; K161-F230 HydrophobicContact CG-CZ 3.92Å; K161-F230 VanDerWaalsContact NZ-CE1 3.31Å; K161-D309 WeakPolarHBondContact CB-OD1 3.27Å; K161-D309 PolarHBondContact N-OD2 3.33Å
162	V	83.6	Confident	85.2	Confident	73 Å²	73	46 Å²	46	44%	0.442	25%	0.248	S	C	.	.	H	α-helix	trans	-62.7	-43.7	-177.3	179	0	0	0	0	109.7	T160 Y164 M165 D166	T160-V162 PolarHBondContact O-N 3.1Å; T160-V162 VanDerWaalsContact O-N 3.15Å; T160-V162 PolarHBondContact OG1-N 3.01Å; V162-Y164 VanDerWaalsContact C-N 3.31Å; V162-Y164 PolarHBondContact O-N 3.46Å; V162-M165 PolarHBondContact O-N 3.36Å; V162-M165 VanDerWaalsContact O-N 3.17Å; V162-D166 WeakPolarHBondContact O-CB 3.25Å; V162-D166 PolarHBondContact O-N 3.07Å
163	D	85.8	Confident	85.1	Confident	45 Å²	45	45.5 Å²	45.5	24%	0.241	25%	0.252	C	S	.	.	H	α-helix	trans	-61	-40.2	177.4	-52.2	-79.6	0	0	0	111.5	T160 K161 H167 K302	T160-D163 WeakPolarHBondContact CA-OD2 3.37Å; T160-D163 WeakPolarHBondContact CB-OD2 3.4Å; T160-D163 PolarHBondContact N-OD2 3.23Å; T160-D163 WeakPolarHBondContact O-CB 3.4Å; T160-D163 PolarHBondContact O-N 3.13Å; T160-D163 PolarHBondContact OG1-OD2 2.93Å; K161-D163 VanDerWaalsContact C-N 3.32Å; K161-D163 PolarHBondContact O-N 2.96Å; D163-H167 WeakPolarHBondContact O-CB 3.43Å; D163-H167 PolarHBondContact O-N 3.39Å; D163-K302 IonicContact OD1-NZ 2.68Å
164	Y	85.2	Confident	85.1	Confident	14 Å²	14	47.1 Å²	47.1	6%	0.055	27%	0.265	C	S	.	.	H	α-helix	trans	-69	-38.8	175.6	-69.4	-67.4	0	0	0	113.1	V38 Y42 P159 T160 K161 V162 H167 T168 L233	V38-Y164 HydrophobicContact CG1-CE1 4.49Å; V38-Y164 WeakPolarHBondContact CG1-OH 3.44Å; Y42-Y164 AromaticContact CD1-CD1 3.49Å; Y42-Y164 HydrophobicContact CD1-CD1 3.49Å; Y42-Y164 VanDerWaalsContact CD1-CD1 3.49Å; Y42-Y164 HydrophobicContact CD1-CE1 4.21Å; Y42-Y164 HydrophobicContact CD1-CG 4.36Å; Y42-Y164 HydrophobicContact CD2-CD1 4.19Å; Y42-Y164 AromaticContact CE1-CD1 3.72Å; Y42-Y164 HydrophobicContact CE1-CD1 3.72Å; Y42-Y164 HydrophobicContact CE1-CG 4.2Å; Y42-Y164 HydrophobicContact CE2-CD1 4.38Å; Y42-Y164 HydrophobicContact CE2-CG 4.45Å; Y42-Y164 AromaticContact CG-CD1 3.72Å; Y42-Y164 HydrophobicContact CG-CD1 3.72Å; Y42-Y164 HydrophobicContact CG-CE1 4.17Å; Y42-Y164 PolarHBondContact OH-O 3.41Å; P159-Y164 HydrophobicContact CB-CE2 3.78Å; P159-Y164 HydrophobicContact CG-CE2 4.11Å; P159-Y164 WeakPolarHBondContact CG-OH 3.48Å; T160-Y164 WeakPolarHBondContact O-CD2 3.48Å; T160-Y164 PolarHBondContact O-N 2.86Å; K161-Y164 PolarHBondContact O-N 2.98Å; V162-Y164 VanDerWaalsContact C-N 3.31Å; V162-Y164 PolarHBondContact O-N 3.46Å; Y164-H167 PolarHBondContact O-N 3.49Å; Y164-T168 PolarHBondContact O-N 2.91Å; Y164-T168 PolarHBondContact O-OG1 3.33Å; Y164-L233 HydrophobicContact CD1-CD1 4.11Å; Y164-L233 HydrophobicContact CD2-CD1 3.75Å; Y164-L233 HydrophobicContact CD2-CD2 3.38Å; Y164-L233 HydrophobicContact CD2-CG 4.22Å; Y164-L233 HydrophobicContact CE1-CD1 4.03Å; Y164-L233 HydrophobicContact CE2-CD1 3.67Å; Y164-L233 HydrophobicContact CE2-CD2 3.8Å; Y164-L233 HydrophobicContact CE2-CG 4.35Å; Y164-L233 HydrophobicContact CG-CD1 3.98Å; Y164-L233 HydrophobicContact CG-CD2 4.04Å
165	M	84.1	Confident	85.2	Confident	66 Å²	66	45.8 Å²	45.8	33%	0.325	26%	0.262	S	S	.	.	H	α-helix	trans	-67.4	-39.8	175.9	-74.7	-178.2	65.4	0	0	112.1	K161 V162 H167 T168 S169 T226	K161-M165 HydrophobicContact CD-SD 4.11Å; K161-M165 WeakPolarHBondContact CE-SD 3.32Å; K161-M165 HydrophobicContact CG-CG 4.09Å; K161-M165 HydrophobicContact CG-SD 3.71Å; K161-M165 WeakPolarHBondContact O-CB 3.26Å; K161-M165 VanDerWaalsContact O-CG 3.32Å; K161-M165 WeakPolarHBondContact O-CG 3.21Å; K161-M165 PolarHBondContact O-N 3.27Å; V162-M165 PolarHBondContact O-N 3.36Å; V162-M165 VanDerWaalsContact O-N 3.17Å; M165-H167 VanDerWaalsContact C-N 3.33Å; M165-T168 PolarHBondContact O-N 3.33Å; M165-S169 WeakPolarHBondContact O-CB 3.32Å; M165-S169 PolarHBondContact O-N 3.13Å; M165-S169 PolarHBondContact O-OG 2.86Å; M165-T226 HydrophobicContact CB-CG2 4.43Å; M165-T226 HydrophobicContact CE-CG2 4.07Å; M165-T226 HydrophobicContact CG-CG2 4.12Å
166	D	85.3	Confident	85.8	Confident	85 Å²	85	42.6 Å²	42.6	46%	0.455	24%	0.242	S	C	.	.	H	α-helix	trans	-62.5	-45.6	174.6	-69.8	-13.2	0	0	0	109.1	V162 T168 S169 E170	V162-D166 WeakPolarHBondContact O-CB 3.25Å; V162-D166 PolarHBondContact O-N 3.07Å; D166-T168 VanDerWaalsContact C-N 3.35Å; D166-T168 PolarHBondContact O-N 2.92Å; D166-S169 CarbonylContact O-C 3.54Å; D166-S169 WeakPolarHBondContact O-CA 3.22Å; D166-S169 WeakPolarHBondContact O-CB 3.47Å; D166-S169 PolarHBondContact O-N 3.3Å; D166-E170 WeakPolarHBondContact O-CG 3.43Å; D166-E170 PolarHBondContact O-N 3.27Å
167	H	85.5	Confident	86.6	Confident	65 Å²	65	44.5 Å²	44.5	30%	0.301	25%	0.248	S	C	.	.	H	α-helix	trans	-59.5	-41.4	174.9	-169.9	52.5	0	0	0	113.3	D43 D163 Y164 M165 S169 E170 A171	D43-H167 IonicContact OD1-CD2 2.64Å; D43-H167 IonicContact OD1-NE2 2.8Å; D163-H167 WeakPolarHBondContact O-CB 3.43Å; D163-H167 PolarHBondContact O-N 3.39Å; Y164-H167 PolarHBondContact O-N 3.49Å; M165-H167 VanDerWaalsContact C-N 3.33Å; H167-S169 VanDerWaalsContact C-N 3.29Å; H167-S169 PolarHBondContact O-N 3.02Å; H167-E170 IonicContact ND1-OE2 3.93Å; H167-A171 PolarHBondContact O-N 3.2Å; H167-A171 VanDerWaalsContact O-N 3.13Å
168	T	87.2	Confident	86.8	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.4	-39.1	172.7	-56.6	0	0	0	0	111.7	Y42 I46 Y164 M165 D166 A171 F172 T226	Y42-T168 PolarHBondContact OH-OG1 2.91Å; I46-T168 HydrophobicContact CD1-CG2 3.93Å; I46-T168 VanDerWaalsContact CD1-OG1 3.24Å; I46-T168 WeakPolarHBondContact CD1-OG1 2.93Å; Y164-T168 PolarHBondContact O-N 2.91Å; Y164-T168 PolarHBondContact O-OG1 3.33Å; M165-T168 PolarHBondContact O-N 3.33Å; D166-T168 VanDerWaalsContact C-N 3.35Å; D166-T168 PolarHBondContact O-N 2.92Å; T168-A171 PolarHBondContact O-N 3.49Å; T168-F172 HydrophobicContact CG2-CD2 3.88Å; T168-F172 HydrophobicContact CG2-CE2 3.54Å; T168-F172 HydrophobicContact CG2-CZ 4.49Å; T168-F172 VanDerWaalsContact O-CD2 3.23Å; T168-F172 WeakPolarHBondContact O-CD2 3.04Å; T168-F172 PolarHBondContact O-N 2.03Å; T168-T226 HydrophobicContact CG2-CG2 4.24Å
169	S	86	Confident	87	Confident	54 Å²	54	46.8 Å²	46.8	38%	0.378	26%	0.255	S	S	.	.	H	α-helix	trans	-69.7	-40.7	-178.2	-58.5	0	0	0	0	111.7	M165 D166 H167 A171 F172 G173	M165-S169 WeakPolarHBondContact O-CB 3.32Å; M165-S169 PolarHBondContact O-N 3.13Å; M165-S169 PolarHBondContact O-OG 2.86Å; D166-S169 CarbonylContact O-C 3.54Å; D166-S169 WeakPolarHBondContact O-CA 3.22Å; D166-S169 WeakPolarHBondContact O-CB 3.47Å; D166-S169 PolarHBondContact O-N 3.3Å; H167-S169 VanDerWaalsContact C-N 3.29Å; H167-S169 PolarHBondContact O-N 3.02Å; S169-A171 VanDerWaalsContact C-N 3.31Å; S169-A171 PolarHBondContact O-N 3.2Å; S169-F172 PolarHBondContact O-N 3.45Å; S169-G173 PolarHBondContact O-N 3.33Å
170	E	87.4	Confident	87.2	Confident	130 Å²	130	50.6 Å²	50.6	61%	0.607	27%	0.274	S	S	*	.	H	α-helix	trans	-57.5	-45.1	171.1	-72.3	172.2	174.2	0	0	111.1	D166 H167 F172 G173 S174	D166-E170 WeakPolarHBondContact O-CG 3.43Å; D166-E170 PolarHBondContact O-N 3.27Å; H167-E170 IonicContact ND1-OE2 3.93Å; E170-F172 VanDerWaalsContact C-N 3.35Å; E170-F172 PolarHBondContact O-N 2.99Å; E170-G173 WeakPolarHBondContact O-CA 3.35Å; E170-G173 PolarHBondContact O-N 2.59Å; E170-G173 VanDerWaalsContact O-N 3.08Å; E170-S174 PolarHBondContact O-N 2.95Å
171	A	86.6	Confident	87.5	Confident	19 Å²	19	55.5 Å²	55.5	16%	0.157	30%	0.297	C	S	.	.	H	α-helix	trans	-66.5	-36.2	178.9	0	0	0	0	0	112.3	I46 F50 H167 T168 S169 S174 V175	I46-A171 HydrophobicContact CG2-CB 3.73Å; F50-A171 HydrophobicContact CD2-CB 3.39Å; F50-A171 WeakPolarHBondContact CE1-O 3.38Å; F50-A171 HydrophobicContact CE2-CB 3.15Å; F50-A171 HydrophobicContact CG-CB 4.27Å; F50-A171 HydrophobicContact CZ-CB 3.83Å; H167-A171 PolarHBondContact O-N 3.2Å; H167-A171 VanDerWaalsContact O-N 3.13Å; T168-A171 PolarHBondContact O-N 3.49Å; S169-A171 VanDerWaalsContact C-N 3.31Å; S169-A171 PolarHBondContact O-N 3.2Å; A171-S174 PolarHBondContact O-N 3.49Å; A171-V175 PolarHBondContact O-N 3.09Å
172	F	87.5	Confident	88.1	Confident	10 Å²	10	53.5 Å²	53.5	4%	0.044	29%	0.289	C	S	.	.	H	α-helix	trans	-63.7	-40.3	168.4	-80.4	-57.6	0	0	0	112.6	L49 F50 T168 S169 E170 V175 E176 M217 R222 T225 T226	L49-F172 HydrophobicContact CD1-CZ 4.45Å; F50-F172 HydrophobicContact CE1-CB 4.43Å; F50-F172 AromaticContact CE1-CD1 3.39Å; F50-F172 HydrophobicContact CE1-CD1 3.39Å; F50-F172 AromaticContact CE1-CE1 3.69Å; F50-F172 HydrophobicContact CE1-CE1 3.69Å; F50-F172 HydrophobicContact CE1-CG 4.01Å; F50-F172 HydrophobicContact CZ-CB 4.14Å; F50-F172 AromaticContact CZ-CD1 3.33Å; F50-F172 HydrophobicContact CZ-CD1 3.33Å; F50-F172 HydrophobicContact CZ-CD2 4.05Å; F50-F172 AromaticContact CZ-CE1 3.53Å; F50-F172 HydrophobicContact CZ-CE1 3.53Å; F50-F172 HydrophobicContact CZ-CE2 4.25Å; F50-F172 AromaticContact CZ-CG 3.57Å; F50-F172 HydrophobicContact CZ-CG 3.57Å; F50-F172 AromaticContact CZ-CZ 4Å; F50-F172 HydrophobicContact CZ-CZ 4Å; F50-F172 VanDerWaalsContact CZ-N 3.27Å; T168-F172 HydrophobicContact CG2-CD2 3.88Å; T168-F172 HydrophobicContact CG2-CE2 3.54Å; T168-F172 HydrophobicContact CG2-CZ 4.49Å; T168-F172 VanDerWaalsContact O-CD2 3.23Å; T168-F172 WeakPolarHBondContact O-CD2 3.04Å; T168-F172 PolarHBondContact O-N 2.03Å; S169-F172 PolarHBondContact O-N 3.45Å; E170-F172 VanDerWaalsContact C-N 3.35Å; E170-F172 PolarHBondContact O-N 2.99Å; F172-V175 PolarHBondContact O-N 3.31Å; F172-E176 WeakPolarHBondContact O-CB 3.47Å; F172-E176 PolarHBondContact O-N 3.04Å; F172-M217 HydrophobicContact CE1-CE 4.1Å; F172-M217 HydrophobicContact CE1-SD 3.83Å; F172-M217 HydrophobicContact CZ-CE 4.32Å; F172-R222 HydrophobicContact CD1-CG 3.82Å; F172-R222 HydrophobicContact CE1-CB 4.37Å; F172-R222 HydrophobicContact CE1-CG 3.88Å; F172-R222 HydrophobicContact CE2-CB 4.38Å; F172-R222 HydrophobicContact CG-CG 4.27Å; F172-R222 HydrophobicContact CZ-CB 4.31Å; F172-R222 HydrophobicContact CZ-CG 4.32Å; F172-T225 HydrophobicContact CZ-CG2 3.9Å; F172-T226 WeakPolarHBondContact CE2-OG1 3.42Å
173	G	87.8	Confident	88.7	Confident	23 Å²	23	51.8 Å²	51.8	24%	0.237	28%	0.283	C	S	.	.	H	α-helix	trans	-58.6	-48	175.9	0	0	0	0	0	111.6	S169 E170 V175 E176 D177	S169-G173 PolarHBondContact O-N 3.33Å; E170-G173 WeakPolarHBondContact O-CA 3.35Å; E170-G173 PolarHBondContact O-N 2.59Å; E170-G173 VanDerWaalsContact O-N 3.08Å; G173-V175 VanDerWaalsContact C-N 3.26Å; G173-V175 PolarHBondContact O-N 2.98Å; G173-E176 WeakPolarHBondContact O-CB 3.36Å; G173-E176 PolarHBondContact O-N 3.28Å; G173-E176 VanDerWaalsContact O-N 3.09Å; G173-D177 VanDerWaalsContact O-CG 3.32Å; G173-D177 PolarHBondContact O-N 2.9Å
174	S	87.1	Confident	89.1	Confident	65 Å²	65	52.4 Å²	52.4	46%	0.455	29%	0.294	S	S	.	.	H	α-helix	trans	-58.6	-35.9	176.8	177.1	0	0	0	0	113.2	E170 A171 F178	E170-S174 PolarHBondContact O-N 2.95Å; A171-S174 PolarHBondContact O-N 3.49Å; S174-F178 PolarHBondContact O-N 2.99Å; S174-F178 VanDerWaalsContact O-N 3.08Å
175	V	87	Confident	89.7	Confident	27 Å²	27	54.8 Å²	54.8	16%	0.164	31%	0.308	C	S	.	.	H	α-helix	trans	-76.3	-33.9	176.2	167.4	0	0	0	0	113	F50 A171 F172 G173 D177 F178 F179	F50-V175 HydrophobicContact CB-CG2 4.03Å; F50-V175 HydrophobicContact CD1-CB 3.9Å; F50-V175 HydrophobicContact CD1-CG1 4.44Å; F50-V175 HydrophobicContact CD1-CG2 3.17Å; F50-V175 HydrophobicContact CE1-CB 4.09Å; F50-V175 HydrophobicContact CE1-CG2 3.85Å; F50-V175 HydrophobicContact CG-CG2 3.91Å; A171-V175 PolarHBondContact O-N 3.09Å; F172-V175 PolarHBondContact O-N 3.31Å; G173-V175 VanDerWaalsContact C-N 3.26Å; G173-V175 PolarHBondContact O-N 2.98Å; V175-D177 VanDerWaalsContact C-N 3.34Å; V175-F178 WeakPolarHBondContact O-CB 3.45Å; V175-F178 PolarHBondContact O-N 3.38Å; V175-F179 HydrophobicContact CG1-CD2 3.75Å; V175-F179 HydrophobicContact CG1-CE2 3.43Å; V175-F179 VanDerWaalsContact CG1-CE2 3.43Å; V175-F179 HydrophobicContact CG1-CZ 4.49Å; V175-F179 WeakPolarHBondContact O-CD2 3.07Å; V175-F179 PolarHBondContact O-N 2.05Å
176	E	88.3	Confident	90.3	Very high	89 Å²	89	52.3 Å²	52.3	42%	0.416	30%	0.295	S	S	.	.	H	α-helix	trans	-62.7	-43.6	170.8	-174.4	167.7	-174.9	0	0	111.1	F172 G173 F178 F179 N180 R222	F172-E176 WeakPolarHBondContact O-CB 3.47Å; F172-E176 PolarHBondContact O-N 3.04Å; G173-E176 WeakPolarHBondContact O-CB 3.36Å; G173-E176 PolarHBondContact O-N 3.28Å; G173-E176 VanDerWaalsContact O-N 3.09Å; E176-F178 PolarHBondContact O-N 3.01Å; E176-F179 PolarHBondContact O-N 3.48Å; E176-N180 WeakPolarHBondContact O-CB 3.07Å; E176-N180 PolarHBondContact O-N 3.29Å; E176-N180 PolarHBondContact O-ND2 3.33Å; E176-R222 IonicContact OE2-CZ 2.6Å; E176-R222 IonicContact OE2-NH1 2.77Å; E176-R222 PolarHBondContact OE2-NH1 3.3Å; E176-R222 IonicContact OE2-NH2 3.61Å
177	D	90.7	Very high	90.8	Very high	103 Å²	103	52.5 Å²	52.5	55%	0.551	30%	0.295	S	S	*	.	H	α-helix	trans	-58.9	-46.4	174.7	-67.5	-23.5	0	0	0	111.4	G173 V175 F179 N180 E181	G173-D177 VanDerWaalsContact O-CG 3.32Å; G173-D177 PolarHBondContact O-N 2.9Å; V175-D177 VanDerWaalsContact C-N 3.34Å; D177-F179 VanDerWaalsContact C-N 3.34Å; D177-F179 PolarHBondContact O-N 3.45Å; D177-N180 PolarHBondContact O-N 3.44Å; D177-E181 WeakPolarHBondContact O-CB 3.44Å; D177-E181 PolarHBondContact O-N 3.44Å
178	F	91.6	Very high	91.3	Very high	41 Å²	41	52.3 Å²	52.3	18%	0.18	31%	0.305	C	S	.	.	H	α-helix	trans	-54.7	-48.6	174.1	167.1	-98.8	0	0	0	112.1	K55 F58 S174 V175 E176 E181 A182	K55-F178 HydrophobicContact CB-CE1 4.3Å; K55-F178 HydrophobicContact CB-CE2 4.3Å; K55-F178 HydrophobicContact CB-CZ 3.95Å; K55-F178 HydrophobicContact CD-CD2 4.3Å; K55-F178 HydrophobicContact CD-CE2 4.4Å; K55-F178 HydrophobicContact CD-CG 4.44Å; K55-F178 HydrophobicContact CG-CD1 4.37Å; K55-F178 HydrophobicContact CG-CE1 4.19Å; K55-F178 HydrophobicContact CG-CE2 4.47Å; K55-F178 HydrophobicContact CG-CZ 4.23Å; F58-F178 AromaticContact CD1-CE1 3.52Å; F58-F178 HydrophobicContact CD1-CE1 3.52Å; F58-F178 AromaticContact CD1-CZ 3.65Å; F58-F178 HydrophobicContact CD1-CZ 3.65Å; F58-F178 AromaticContact CE1-CE1 3.8Å; F58-F178 HydrophobicContact CE1-CE1 3.8Å; F58-F178 AromaticContact CE1-CZ 3.99Å; F58-F178 HydrophobicContact CE1-CZ 3.99Å; F58-F178 HydrophobicContact CG-CE1 4.37Å; S174-F178 PolarHBondContact O-N 2.99Å; S174-F178 VanDerWaalsContact O-N 3.08Å; V175-F178 WeakPolarHBondContact O-CB 3.45Å; V175-F178 PolarHBondContact O-N 3.38Å; E176-F178 PolarHBondContact O-N 3.01Å; F178-E181 PolarHBondContact O-N 3.4Å; F178-A182 VanDerWaalsContact O-CB 3.29Å; F178-A182 WeakPolarHBondContact O-CB 3.48Å; F178-A182 PolarHBondContact O-N 2.83Å
179	F	92.8	Very high	91.7	Very high	19 Å²	19	52.9 Å²	52.9	8%	0.083	31%	0.31	C	S	.	.	H	α-helix	trans	-70	-34	-179.8	-74.7	-63.5	0	0	0	113.1	F58 V175 E176 D177 A183 F212 H215 Q216	F58-F179 HydrophobicContact CD1-CD1 4.5Å; F58-F179 HydrophobicContact CD1-CE1 4.12Å; F58-F179 HydrophobicContact CD2-CD1 4.36Å; F58-F179 AromaticContact CD2-CE1 3.66Å; F58-F179 HydrophobicContact CD2-CE1 3.66Å; F58-F179 HydrophobicContact CE1-CD1 4.1Å; F58-F179 HydrophobicContact CE1-CE1 4.14Å; F58-F179 AromaticContact CE2-CD1 3.95Å; F58-F179 HydrophobicContact CE2-CD1 3.95Å; F58-F179 AromaticContact CE2-CE1 3.69Å; F58-F179 HydrophobicContact CE2-CE1 3.69Å; F58-F179 AromaticContact CG-CE1 3.87Å; F58-F179 HydrophobicContact CG-CE1 3.87Å; F58-F179 AromaticContact CZ-CD1 3.8Å; F58-F179 HydrophobicContact CZ-CD1 3.8Å; F58-F179 AromaticContact CZ-CE1 3.94Å; F58-F179 HydrophobicContact CZ-CE1 3.94Å; V175-F179 HydrophobicContact CG1-CD2 3.75Å; V175-F179 HydrophobicContact CG1-CE2 3.43Å; V175-F179 VanDerWaalsContact CG1-CE2 3.43Å; V175-F179 HydrophobicContact CG1-CZ 4.49Å; V175-F179 WeakPolarHBondContact O-CD2 3.07Å; V175-F179 PolarHBondContact O-N 2.05Å; E176-F179 PolarHBondContact O-N 3.48Å; D177-F179 VanDerWaalsContact C-N 3.34Å; D177-F179 PolarHBondContact O-N 3.45Å; F179-A183 WeakPolarHBondContact O-CB 3.47Å; F179-A183 PolarHBondContact O-N 2.94Å; F179-F212 HydrophobicContact CB-CE1 4.33Å; F179-F212 HydrophobicContact CD1-CD1 4.13Å; F179-F212 HydrophobicContact CD1-CE1 4.02Å; F179-H215 HydrophobicContact CE1-CB 4.08Å; F179-H215 HydrophobicContact CZ-CB 3.93Å; F179-Q216 HydrophobicContact CB-CG 4.34Å; F179-Q216 HydrophobicContact CD1-CG 3.93Å; F179-Q216 HydrophobicContact CD2-CG 3.75Å; F179-Q216 HydrophobicContact CE1-CG 4.12Å; F179-Q216 HydrophobicContact CE2-CG 3.94Å; F179-Q216 HydrophobicContact CG-CG 3.76Å; F179-Q216 HydrophobicContact CZ-CG 4.13Å
180	N	93	Very high	92.2	Very high	85 Å²	85	50.6 Å²	50.6	46%	0.455	29%	0.293	S	S	.	.	H	α-helix	trans	-65.4	-44.2	176.5	-73.3	-26	0	0	0	110.9	E176 D177 A183 A184	E176-N180 WeakPolarHBondContact O-CB 3.07Å; E176-N180 PolarHBondContact O-N 3.29Å; E176-N180 PolarHBondContact O-ND2 3.33Å; D177-N180 PolarHBondContact O-N 3.44Å; N180-A183 PolarHBondContact O-N 3.3Å; N180-A184 PolarHBondContact O-N 2.98Å
181	E	94	Very high	92.6	Very high	107 Å²	107	50.8 Å²	50.8	50%	0.5	29%	0.289	S	S	.	.	H	α-helix	trans	-63.6	-47.5	175.1	-167.4	-171.1	141	0	0	111.2	N77 D177 F178 A183 A184 N185	N77-E181 PolarHBondContact ND2-OE1 2.7Å; D177-E181 WeakPolarHBondContact O-CB 3.44Å; D177-E181 PolarHBondContact O-N 3.44Å; F178-E181 PolarHBondContact O-N 3.4Å; E181-A183 VanDerWaalsContact C-N 3.31Å; E181-A183 PolarHBondContact O-N 3.37Å; E181-A184 PolarHBondContact O-N 3.13Å; E181-N185 WeakPolarHBondContact O-CB 3.45Å; E181-N185 PolarHBondContact O-N 2.94Å
182	A	94.1	Very high	93	Very high	3 Å²	3	52.8 Å²	52.8	3%	0.025	30%	0.296	C	S	.	.	H	α-helix	trans	-59.8	-41.4	175.8	0	0	0	0	0	111.8	F58 F178 N185 Y186 F212	F58-A182 HydrophobicContact CE1-CB 3.84Å; F58-A182 HydrophobicContact CZ-CB 4.23Å; F178-A182 VanDerWaalsContact O-CB 3.29Å; F178-A182 WeakPolarHBondContact O-CB 3.48Å; F178-A182 PolarHBondContact O-N 2.83Å; A182-N185 PolarHBondContact O-N 3.44Å; A182-Y186 HydrophobicContact CB-CD2 4.25Å; A182-Y186 HydrophobicContact CB-CE2 3.88Å; A182-Y186 WeakPolarHBondContact O-CB 3.43Å; A182-Y186 WeakPolarHBondContact O-CD2 3.44Å; A182-Y186 PolarHBondContact O-N 3.49Å; A182-F212 HydrophobicContact CB-CZ 4.42Å
183	A	95.6	Very high	93.3	Very high	38 Å²	38	58 Å²	58	31%	0.314	32%	0.324	S	S	.	.	H	α-helix	trans	-63.7	-44.7	177.5	0	0	0	0	0	111.7	F179 N180 E181 L187 F212	F179-A183 WeakPolarHBondContact O-CB 3.47Å; F179-A183 PolarHBondContact O-N 2.94Å; N180-A183 PolarHBondContact O-N 3.3Å; E181-A183 VanDerWaalsContact C-N 3.31Å; E181-A183 PolarHBondContact O-N 3.37Å; A183-L187 WeakPolarHBondContact O-CB 3.38Å; A183-L187 PolarHBondContact O-N 3.04Å; A183-F212 HydrophobicContact CB-CE1 3.93Å; A183-F212 HydrophobicContact CB-CZ 3.77Å
184	A	95.6	Very high	93.6	Very high	57 Å²	57	62.7 Å²	62.7	47%	0.471	34%	0.338	S	S	.	.	H	α-helix	trans	-59.8	-46.7	175.5	0	0	0	0	0	111.3	N180 E181 L187 A188	N180-A184 PolarHBondContact O-N 2.98Å; E181-A184 PolarHBondContact O-N 3.13Å; A184-L187 PolarHBondContact O-N 3.4Å; A184-A188 WeakPolarHBondContact O-CB 3.48Å; A184-A188 PolarHBondContact O-N 3.5Å
185	N	95.9	Very high	94	Very high	64 Å²	64	61 Å²	61	34%	0.342	33%	0.325	S	S	.	.	H	α-helix	trans	-69.3	-43.7	-177.1	-70.1	1.4	0	0	0	112.4	N77 E181 A182 A188 A189	N77-N185 PolarHBondContact ND2-ND2 2.66Å; N77-N185 PolarHBondContact OD1-ND2 2.74Å; E181-N185 WeakPolarHBondContact O-CB 3.45Å; E181-N185 PolarHBondContact O-N 2.94Å; A182-N185 PolarHBondContact O-N 3.44Å; N185-A188 PolarHBondContact O-N 2.89Å; N185-A189 WeakPolarHBondContact O-CB 3.47Å; N185-A189 PolarHBondContact O-N 3.25Å
186	Y	97	Very high	94.4	Very high	14 Å²	14	59.7 Å²	59.7	6%	0.055	32%	0.317	C	S	.	.	H	α-helix	trans	-68.1	-36.2	175.8	-63.2	-35.1	0	0	0	112.2	F58 A62 F66 P74 A182 A189 L190 L208 F212	F58-Y186 AromaticContact CE1-CE2 3.92Å; F58-Y186 HydrophobicContact CE1-CE2 3.92Å; F58-Y186 AromaticContact CZ-CE2 3.98Å; F58-Y186 HydrophobicContact CZ-CE2 3.98Å; A62-Y186 HydrophobicContact CB-CD2 4.13Å; A62-Y186 HydrophobicContact CB-CE1 4.35Å; A62-Y186 HydrophobicContact CB-CE2 3.42Å; A62-Y186 VanDerWaalsContact CB-CE2 3.42Å; F66-Y186 AromaticContact CE2-CD1 3.77Å; F66-Y186 HydrophobicContact CE2-CD1 3.77Å; F66-Y186 HydrophobicContact CE2-CE1 4.49Å; F66-Y186 HydrophobicContact CE2-CG 4.08Å; F66-Y186 HydrophobicContact CZ-CD1 4.21Å; F66-Y186 HydrophobicContact CZ-CG 4.46Å; P74-Y186 HydrophobicContact CB-CD1 4.31Å; P74-Y186 HydrophobicContact CB-CE1 4.34Å; P74-Y186 HydrophobicContact CG-CD1 3.86Å; P74-Y186 HydrophobicContact CG-CE1 4.12Å; A182-Y186 HydrophobicContact CB-CD2 4.25Å; A182-Y186 HydrophobicContact CB-CE2 3.88Å; A182-Y186 WeakPolarHBondContact O-CB 3.43Å; A182-Y186 WeakPolarHBondContact O-CD2 3.44Å; A182-Y186 PolarHBondContact O-N 3.49Å; Y186-A189 PolarHBondContact O-N 3.23Å; Y186-L190 WeakPolarHBondContact O-CB 3.13Å; Y186-L190 VanDerWaalsContact O-CG 3.31Å; Y186-L190 WeakPolarHBondContact O-CG 3.24Å; Y186-L190 PolarHBondContact O-N 2.77Å; Y186-L208 HydrophobicContact CD2-CD2 4.18Å; Y186-L208 HydrophobicContact CG-CD2 4.43Å; Y186-F212 HydrophobicContact CD2-CE2 4.01Å; Y186-F212 AromaticContact CD2-CZ 3.99Å; Y186-F212 HydrophobicContact CD2-CZ 3.99Å
187	L	95.9	Very high	94.7	Very high	89 Å²	89	57.9 Å²	57.9	47%	0.466	31%	0.313	S	S	.	.	H	α-helix	trans	-64.3	-43.7	174	-174	61.7	0	0	0	111	A183 A184 A189 L190 R191	A183-L187 WeakPolarHBondContact O-CB 3.38Å; A183-L187 PolarHBondContact O-N 3.04Å; A184-L187 PolarHBondContact O-N 3.4Å; L187-A189 PolarHBondContact O-N 3.02Å; L187-L190 PolarHBondContact O-N 3.15Å; L187-R191 WeakPolarHBondContact O-CG 3.38Å; L187-R191 PolarHBondContact O-N 3.27Å
188	A	95.7	Very high	94.9	Very high	61 Å²	61	61.4 Å²	61.4	50%	0.504	32%	0.324	S	S	.	.	H	α-helix	trans	-58.4	-47.2	173.9	0	0	0	0	0	111.5	A184 N185 L190 R191 D192	A184-A188 WeakPolarHBondContact O-CB 3.48Å; A184-A188 PolarHBondContact O-N 3.5Å; N185-A188 PolarHBondContact O-N 2.89Å; A188-L190 VanDerWaalsContact C-N 3.32Å; A188-L190 PolarHBondContact O-N 3.29Å; A188-R191 PolarHBondContact O-N 2.63Å; A188-D192 PolarHBondContact O-N 2.91Å
189	A	96.3	Very high	95.1	Very high	12 Å²	12	65 Å²	65	10%	0.099	34%	0.344	C	S	.	.	H	α-helix	trans	-62.4	-33.3	177.6	0	0	0	0	0	113.8	F66 P74 N185 Y186 L187 R191 T195 C196	F66-A189 HydrophobicContact CE1-CB 3.73Å; F66-A189 HydrophobicContact CZ-CB 3.85Å; P74-A189 HydrophobicContact CB-CB 4.14Å; P74-A189 HydrophobicContact CG-CB 3.74Å; N185-A189 WeakPolarHBondContact O-CB 3.47Å; N185-A189 PolarHBondContact O-N 3.25Å; Y186-A189 PolarHBondContact O-N 3.23Å; L187-A189 PolarHBondContact O-N 3.02Å; A189-R191 VanDerWaalsContact C-N 3.26Å; A189-R191 PolarHBondContact O-N 3.38Å; A189-T195 HydrophobicContact CB-CG2 4.01Å; A189-C196 WeakPolarHBondContact O-CB 3.48Å
190	L	96.4	Very high	95.2	Very high	7 Å²	7	68 Å²	68	4%	0.037	36%	0.357	C	S	.	.	H	α-helix	trans	-68.7	-24	173.5	-77.8	174.3	0	0	0	113.2	F66 Y186 L187 A188 S201 A204 Q205 L208	F66-L190 HydrophobicContact CE1-CD2 3.88Å; F66-L190 HydrophobicContact CE1-CG 4.02Å; F66-L190 HydrophobicContact CZ-CD2 4.15Å; F66-L190 HydrophobicContact CZ-CG 3.96Å; Y186-L190 WeakPolarHBondContact O-CB 3.13Å; Y186-L190 VanDerWaalsContact O-CG 3.31Å; Y186-L190 WeakPolarHBondContact O-CG 3.24Å; Y186-L190 PolarHBondContact O-N 2.77Å; L187-L190 PolarHBondContact O-N 3.15Å; A188-L190 VanDerWaalsContact C-N 3.32Å; A188-L190 PolarHBondContact O-N 3.29Å; L190-S201 PolarHBondContact O-OG 2.88Å; L190-A204 HydrophobicContact CD2-CB 3.55Å; L190-Q205 HydrophobicContact CD1-CB 3.84Å; L190-Q205 HydrophobicContact CD1-CG 4.09Å; L190-L208 HydrophobicContact CD1-CD1 3.75Å; L190-L208 HydrophobicContact CD2-CD1 4.2Å; L190-L208 HydrophobicContact CG-CD1 4.07Å
191	R	94.9	Very high	95.3	Very high	134 Å²	134	64.3 Å²	64.3	51%	0.506	34%	0.338	S	S	.	.	H	α-helix	trans	-97.5	-21.1	-178.8	-59	-47.5	175.4	-142.1	-2.7	113	L187 A188 A189 L193 S201	L187-R191 WeakPolarHBondContact O-CG 3.38Å; L187-R191 PolarHBondContact O-N 3.27Å; A188-R191 PolarHBondContact O-N 2.63Å; A189-R191 VanDerWaalsContact C-N 3.26Å; A189-R191 PolarHBondContact O-N 3.38Å; R191-L193 PolarHBondContact O-N 3.13Å; R191-S201 PolarHBondContact NH1-OG 3.4Å
192	D	95.2	Very high	95.4	Very high	60 Å²	60	66.5 Å²	66.5	32%	0.321	35%	0.349	S	S	.	.			trans	-70.1	113.7	168.4	171.4	28.7	0	0	0	110.8	A188 K194 T195 C196	A188-D192 PolarHBondContact O-N 2.91Å; D192-K194 PolarHBondContact O-N 3.44Å; D192-K194 WeakPolarHBondContact OD1-CB 3.39Å; D192-K194 PolarHBondContact OD1-N 3.48Å; D192-T195 PolarHBondContact O-N 3.02Å; D192-T195 VanDerWaalsContact O-N 3.14Å; D192-T195 WeakPolarHBondContact OD2-CB 3.43Å; D192-T195 PolarHBondContact OD2-N 3.43Å; D192-T195 PolarHBondContact OD2-OG1 3.28Å; D192-C196 PolarHBondContact O-N 3.49Å
193	L	94.6	Very high	95.5	Very high	119 Å²	119	68.6 Å²	68.6	62%	0.623	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-21.6	179.5	-61.9	177.9	0	0	0	113.2	R191 K198	R191-L193 PolarHBondContact O-N 3.13Å; L193-K198 HydrophobicContact CD2-CB 3.94Å
194	K	94	Very high	95.6	Very high	123 Å²	123	66.8 Å²	66.8	54%	0.535	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-30.6	174.6	-65.9	179.3	176.2	174.2	0	111.7	K72 D89 D192	K72-K194 PolarHBondContact NZ-O 2.9Å; K72-K194 VanDerWaalsContact NZ-O 3.09Å; D89-K194 IonicContact OD1-NZ 3.84Å; D89-K194 PolarHBondContact OD1-NZ 2.91Å; D89-K194 WeakPolarHBondContact OD2-CE 3.48Å; D89-K194 IonicContact OD2-NZ 3.84Å; D89-K194 PolarHBondContact OD2-NZ 3.22Å; D192-K194 PolarHBondContact O-N 3.44Å; D192-K194 WeakPolarHBondContact OD1-CB 3.39Å; D192-K194 PolarHBondContact OD1-N 3.48Å
195	T	94.7	Very high	95.7	Very high	29 Å²	29	67 Å²	67	18%	0.178	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-46.7	176.3	-62.7	0	0	0	0	111.9	C71 K72 A189 D192	C71-T195 WeakPolarHBondContact CA-O 3.33Å; K72-T195 HydrophobicContact CB-CG2 4.37Å; K72-T195 PolarHBondContact N-O 3.37Å; A189-T195 HydrophobicContact CB-CG2 4.01Å; D192-T195 PolarHBondContact O-N 3.02Å; D192-T195 VanDerWaalsContact O-N 3.14Å; D192-T195 WeakPolarHBondContact OD2-CB 3.43Å; D192-T195 PolarHBondContact OD2-N 3.43Å; D192-T195 PolarHBondContact OD2-OG1 3.28Å
196	C	96	Very high	95.8	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	35%	0.346	C	S	.	.	S	Bend	trans	-138.7	106.5	-174.7	-159.9	0	0	0	0	111.6	C71 A189 D192	C71-C196 HydrophobicContact CB-CB 3.6Å; C71-C196 WeakPolarHBondContact CB-SG 3.49Å; C71-C196 WeakPolarHBondContact SG-CA 3.31Å; C71-C196 WeakPolarHBondContact SG-CB 3.44Å; C71-C196 CovalentContact SG-SG 2.04Å; C71-C196 PolarHBondContact SG-SG 2.78Å; A189-C196 WeakPolarHBondContact O-CB 3.48Å; D192-C196 PolarHBondContact O-N 3.49Å
197	P	95.6	Very high	95.9	Very high	51 Å²	51	68.5 Å²	68.5	33%	0.331	36%	0.356	S	S	.	.			trans	-56	144.2	176.3	-25.7	34.8	0	0	0	112.3	D199 K200 S201	P197-D199 VanDerWaalsContact C-N 3.26Å; P197-D199 WeakPolarHBondContact CB-OD1 3.28Å; P197-D199 PolarHBondContact O-N 2.93Å; P197-D199 VanDerWaalsContact O-N 3.16Å; P197-K200 HydrophobicContact CB-CG 4.28Å; P197-K200 WeakPolarHBondContact O-CB 3.35Å; P197-K200 PolarHBondContact O-N 3.39Å; P197-S201 PolarHBondContact O-N 3.08Å; P197-S201 VanDerWaalsContact O-N 3.1Å
198	K	93.9	Very high	96	Very high	177 Å²	177	64.5 Å²	64.5	77%	0.77	34%	0.335	S	S	*	.	H	α-helix	trans	-55.8	-37.8	-172.9	-173.7	176.3	179.3	178.3	0	113.7	L193 K200	L193-K198 HydrophobicContact CD2-CB 3.94Å; K198-K200 PolarHBondContact O-N 2.95Å
199	D	95.3	Very high	96	Very high	116 Å²	116	65.4 Å²	65.4	62%	0.62	33%	0.332	S	S	*	.	H	α-helix	trans	-73.3	-10	179.5	67.8	-59.7	0	0	0	113.7	P197	P197-D199 VanDerWaalsContact C-N 3.26Å; P197-D199 WeakPolarHBondContact CB-OD1 3.28Å; P197-D199 PolarHBondContact O-N 2.93Å; P197-D199 VanDerWaalsContact O-N 3.16Å
200	K	95.5	Very high	96.1	Very high	82 Å²	82	71.9 Å²	71.9	36%	0.357	36%	0.358	S	S	.	.	H	α-helix	trans	-104.6	-26.7	177	-57.4	-48.8	-175.6	-135.7	0	113.5	N69 P197 K198 E202 A203 A204	N69-K200 VanDerWaalsContact O-CB 3.32Å; N69-K200 WeakPolarHBondContact O-CB 3.46Å; N69-K200 WeakPolarHBondContact O-CD 3.21Å; N69-K200 WeakPolarHBondContact O-CG 3.15Å; P197-K200 HydrophobicContact CB-CG 4.28Å; P197-K200 WeakPolarHBondContact O-CB 3.35Å; P197-K200 PolarHBondContact O-N 3.39Å; K198-K200 PolarHBondContact O-N 2.95Å; K200-E202 VanDerWaalsContact C-N 3.31Å; K200-E202 PolarHBondContact O-N 3.35Å; K200-A203 PolarHBondContact O-N 3.11Å; K200-A204 PolarHBondContact O-N 3.01Å; K200-A204 VanDerWaalsContact O-N 3.15Å
201	S	95.2	Very high	96.1	Very high	7 Å²	7	72.2 Å²	72.2	5%	0.049	36%	0.36	C	S	.	.	H	α-helix	trans	-52.9	-41.7	-174.2	-171.4	0	0	0	0	113.5	L190 R191 P197 A203 A204 Q205	L190-S201 PolarHBondContact O-OG 2.88Å; R191-S201 PolarHBondContact NH1-OG 3.4Å; P197-S201 PolarHBondContact O-N 3.08Å; P197-S201 VanDerWaalsContact O-N 3.1Å; S201-A203 PolarHBondContact O-N 3.22Å; S201-A204 PolarHBondContact O-N 2.82Å; S201-Q205 VanDerWaalsContact O-CB 3.27Å; S201-Q205 WeakPolarHBondContact O-CB 3.3Å; S201-Q205 PolarHBondContact O-N 2.73Å
202	E	95.7	Very high	96.2	Very high	154 Å²	154	66.9 Å²	66.9	72%	0.72	34%	0.34	S	S	*	.	H	α-helix	trans	-66	-40.2	-178.3	-174	176.2	-175.1	0	0	113.2	K200 Q205 T206	K200-E202 VanDerWaalsContact C-N 3.31Å; K200-E202 PolarHBondContact O-N 3.35Å; E202-Q205 PolarHBondContact O-N 2.89Å; E202-T206 PolarHBondContact O-N 2.77Å; E202-T206 PolarHBondContact O-OG1 2.88Å
203	A	97	Very high	96.1	Very high	46 Å²	46	73.8 Å²	73.8	38%	0.38	36%	0.362	S	S	.	.	H	α-helix	trans	-70.7	-40.8	178.2	0	0	0	0	0	111.4	N69 K200 S201 T206 C207	N69-A203 VanDerWaalsContact OD1-CB 3.24Å; N69-A203 WeakPolarHBondContact OD1-CB 3.49Å; K200-A203 PolarHBondContact O-N 3.11Å; S201-A203 PolarHBondContact O-N 3.22Å; A203-T206 PolarHBondContact O-N 2.76Å; A203-C207 PolarHBondContact O-N 3.34Å; A203-C207 VanDerWaalsContact O-N 3.09Å
204	A	97.5	Very high	96	Very high	0 Å²	0	71.9 Å²	71.9	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-62.6	-42.9	173.2	0	0	0	0	0	111.7	N69 L190 K200 S201 C207 L208	N69-A204 HydrophobicContact CB-CB 4Å; L190-A204 HydrophobicContact CD2-CB 3.55Å; K200-A204 PolarHBondContact O-N 3.01Å; K200-A204 VanDerWaalsContact O-N 3.15Å; S201-A204 PolarHBondContact O-N 2.82Å; A204-C207 WeakPolarHBondContact O-CB 3.31Å; A204-C207 PolarHBondContact O-N 2.65Å; A204-L208 WeakPolarHBondContact O-CG 3.36Å; A204-L208 PolarHBondContact O-N 2.63Å
205	Q	97.7	Very high	95.9	Very high	61 Å²	61	68.5 Å²	68.5	29%	0.285	35%	0.35	S	S	.	.	H	α-helix	trans	-60.7	-47.1	175.5	-173.4	179.8	-31.1	0	0	111.8	L190 S201 E202 C207 L208 D209	L190-Q205 HydrophobicContact CD1-CB 3.84Å; L190-Q205 HydrophobicContact CD1-CG 4.09Å; S201-Q205 VanDerWaalsContact O-CB 3.27Å; S201-Q205 WeakPolarHBondContact O-CB 3.3Å; S201-Q205 PolarHBondContact O-N 2.73Å; E202-Q205 PolarHBondContact O-N 2.89Å; Q205-C207 PolarHBondContact O-N 3.2Å; Q205-L208 PolarHBondContact O-N 3.02Å; Q205-L208 VanDerWaalsContact O-N 3.15Å; Q205-D209 PolarHBondContact O-N 3.17Å
206	T	97.9	Very high	95.6	Very high	71 Å²	71	71 Å²	71	44%	0.436	36%	0.359	S	S	.	.	H	α-helix	trans	-60.7	-33.7	177.5	-59.4	0	0	0	0	112.2	E202 A203	E202-T206 PolarHBondContact O-N 2.77Å; E202-T206 PolarHBondContact O-OG1 2.88Å; A203-T206 PolarHBondContact O-N 2.76Å
207	C	98.5	Very high	95.1	Very high	39 Å²	39	74.8 Å²	74.8	26%	0.264	38%	0.378	S	S	.	.	H	α-helix	trans	-68.5	-49	173.8	-177.8	0	0	0	0	111.3	C65 A203 A204 Q205 D209 K210 V211	C65-C207 WeakPolarHBondContact CA-SG 2.72Å; C65-C207 HydrophobicContact CB-CB 3.58Å; C65-C207 WeakPolarHBondContact CB-SG 3.36Å; C65-C207 WeakPolarHBondContact SG-CB 3.5Å; C65-C207 CovalentContact SG-SG 2.04Å; C65-C207 PolarHBondContact SG-SG 3.44Å; A203-C207 PolarHBondContact O-N 3.34Å; A203-C207 VanDerWaalsContact O-N 3.09Å; A204-C207 WeakPolarHBondContact O-CB 3.31Å; A204-C207 PolarHBondContact O-N 2.65Å; Q205-C207 PolarHBondContact O-N 3.2Å; C207-D209 VanDerWaalsContact C-N 3.33Å; C207-D209 PolarHBondContact O-N 3.35Å; C207-K210 WeakPolarHBondContact O-CB 3.46Å; C207-K210 PolarHBondContact O-N 2.84Å; C207-K210 VanDerWaalsContact O-N 3.07Å; C207-V211 PolarHBondContact O-N 2.75Å
208	L	97.8	Very high	94.8	Very high	6 Å²	6	75 Å²	75	3%	0.031	38%	0.381	C	S	.	.	H	α-helix	trans	-58.7	-43.9	178.2	-74.3	162.6	0	0	0	111.5	A62 C65 F66 Y186 L190 A204 Q205 K210 V211 F212	A62-L208 HydrophobicContact CB-CD2 3.72Å; C65-L208 HydrophobicContact CB-CD2 4.08Å; C65-L208 HydrophobicContact CB-CG 3.92Å; F66-L208 HydrophobicContact CD2-CD1 4.46Å; F66-L208 HydrophobicContact CE2-CD1 3.68Å; F66-L208 HydrophobicContact CE2-CD2 4.15Å; F66-L208 HydrophobicContact CE2-CG 4.42Å; F66-L208 HydrophobicContact CZ-CD1 3.93Å; Y186-L208 HydrophobicContact CD2-CD2 4.18Å; Y186-L208 HydrophobicContact CG-CD2 4.43Å; L190-L208 HydrophobicContact CD1-CD1 3.75Å; L190-L208 HydrophobicContact CD2-CD1 4.2Å; L190-L208 HydrophobicContact CG-CD1 4.07Å; A204-L208 WeakPolarHBondContact O-CG 3.36Å; A204-L208 PolarHBondContact O-N 2.63Å; Q205-L208 PolarHBondContact O-N 3.02Å; Q205-L208 VanDerWaalsContact O-N 3.15Å; L208-K210 PolarHBondContact O-N 2.98Å; L208-K210 VanDerWaalsContact O-N 3.16Å; L208-V211 CarbonylContact O-C 3.57Å; L208-V211 PolarHBondContact O-N 3.36Å; L208-F212 HydrophobicContact CB-CD2 4.41Å; L208-F212 WeakPolarHBondContact O-CD2 3.44Å; L208-F212 PolarHBondContact O-N 2.81Å
209	D	97.4	Very high	94.5	Very high	80 Å²	80	71.1 Å²	71.1	43%	0.428	38%	0.376	S	S	.	.	H	α-helix	trans	-54.7	-36.8	176.4	-76.8	-12.9	0	0	0	112.3	Q205 C207 R213	Q205-D209 PolarHBondContact O-N 3.17Å; C207-D209 VanDerWaalsContact C-N 3.33Å; C207-D209 PolarHBondContact O-N 3.35Å; D209-R213 WeakPolarHBondContact O-CB 3.38Å; D209-R213 WeakPolarHBondContact O-CD 3.44Å; D209-R213 WeakPolarHBondContact O-CG 3.49Å; D209-R213 PolarHBondContact O-N 3.46Å
210	K	97.4	Very high	94.2	Very high	147 Å²	147	72.7 Å²	72.7	64%	0.639	38%	0.377	S	S	*	.	H	α-helix	trans	-72.5	-42	175.4	-68.1	174.8	-176.7	175.1	0	112	C207 L208 R213 A214	C207-K210 WeakPolarHBondContact O-CB 3.46Å; C207-K210 PolarHBondContact O-N 2.84Å; C207-K210 VanDerWaalsContact O-N 3.07Å; L208-K210 PolarHBondContact O-N 2.98Å; L208-K210 VanDerWaalsContact O-N 3.16Å; K210-R213 PolarHBondContact O-N 3.13Å; K210-A214 WeakPolarHBondContact O-CB 3.36Å; K210-A214 PolarHBondContact O-N 3.33Å
211	V	97.1	Very high	93.9	Very high	14 Å²	14	72.1 Å²	72.1	9%	0.085	38%	0.378	C	S	.	.	H	α-helix	trans	-61.4	-50.7	176.9	174.8	0	0	0	0	110.1	F58 E61 C65 C207 L208 R213 A214 H215	F58-V211 HydrophobicContact CD2-CG1 3.71Å; F58-V211 HydrophobicContact CE2-CG1 3.84Å; E61-V211 HydrophobicContact CB-CG1 3.93Å; E61-V211 HydrophobicContact CB-CG2 4.18Å; C65-V211 VanDerWaalsContact SG-CG2 3.57Å; C207-V211 PolarHBondContact O-N 2.75Å; L208-V211 CarbonylContact O-C 3.57Å; L208-V211 PolarHBondContact O-N 3.36Å; V211-R213 VanDerWaalsContact C-N 3.34Å; V211-R213 PolarHBondContact O-N 3.38Å; V211-A214 PolarHBondContact O-N 2.96Å; V211-A214 VanDerWaalsContact O-N 3.09Å; V211-H215 PolarHBondContact O-CD2 3.04Å; V211-H215 VanDerWaalsContact O-CD2 3.26Å; V211-H215 PolarHBondContact O-N 3.44Å
212	F	95.8	Very high	93.5	Very high	22 Å²	22	74.9 Å²	74.9	10%	0.096	39%	0.387	C	S	.	.	H	α-helix	trans	-55.5	-47.8	175.8	-86	-82.5	0	0	0	112	F58 F179 A182 A183 Y186 L208 A214 H215 Q216	F58-F212 HydrophobicContact CE2-CD1 4.04Å; F58-F212 HydrophobicContact CE2-CD2 4.4Å; F58-F212 HydrophobicContact CE2-CE1 4.07Å; F58-F212 HydrophobicContact CE2-CE2 4.4Å; F58-F212 HydrophobicContact CE2-CG 4.22Å; F58-F212 HydrophobicContact CE2-CZ 4.24Å; F58-F212 HydrophobicContact CZ-CD1 4.09Å; F58-F212 AromaticContact CZ-CE1 3.62Å; F58-F212 HydrophobicContact CZ-CE1 3.62Å; F58-F212 HydrophobicContact CZ-CE2 4.07Å; F58-F212 AromaticContact CZ-CZ 3.61Å; F58-F212 HydrophobicContact CZ-CZ 3.61Å; F179-F212 HydrophobicContact CB-CE1 4.33Å; F179-F212 HydrophobicContact CD1-CD1 4.13Å; F179-F212 HydrophobicContact CD1-CE1 4.02Å; A182-F212 HydrophobicContact CB-CZ 4.42Å; A183-F212 HydrophobicContact CB-CE1 3.93Å; A183-F212 HydrophobicContact CB-CZ 3.77Å; Y186-F212 HydrophobicContact CD2-CE2 4.01Å; Y186-F212 AromaticContact CD2-CZ 3.99Å; Y186-F212 HydrophobicContact CD2-CZ 3.99Å; L208-F212 HydrophobicContact CB-CD2 4.41Å; L208-F212 WeakPolarHBondContact O-CD2 3.44Å; L208-F212 PolarHBondContact O-N 2.81Å; F212-A214 VanDerWaalsContact C-N 3.26Å; F212-A214 PolarHBondContact O-N 2.95Å; F212-H215 PolarHBondContact O-N 2.84Å; F212-Q216 HydrophobicContact CD1-CG 4.31Å; F212-Q216 VanDerWaalsContact O-CB 3.27Å; F212-Q216 WeakPolarHBondContact O-CB 3.43Å; F212-Q216 WeakPolarHBondContact O-CG 3.39Å; F212-Q216 PolarHBondContact O-N 2.91Å
213	R	93.3	Very high	93.1	Very high	205 Å²	205	72 Å²	72	77%	0.774	38%	0.381	S	S	*	.	H	α-helix	trans	-64.6	-26.9	178.6	-73.4	173.8	-171.5	-83.6	-0.8	114.2	D209 K210 V211	D209-R213 WeakPolarHBondContact O-CB 3.38Å; D209-R213 WeakPolarHBondContact O-CD 3.44Å; D209-R213 WeakPolarHBondContact O-CG 3.49Å; D209-R213 PolarHBondContact O-N 3.46Å; K210-R213 PolarHBondContact O-N 3.13Å; V211-R213 VanDerWaalsContact C-N 3.34Å; V211-R213 PolarHBondContact O-N 3.38Å
214	A	93	Very high	92.6	Very high	80 Å²	80	72.2 Å²	72.2	66%	0.661	38%	0.375	S	S	*	.	H	α-helix	trans	-78.3	-27.5	178.6	0	0	0	0	0	112.7	K210 V211 F212	K210-A214 WeakPolarHBondContact O-CB 3.36Å; K210-A214 PolarHBondContact O-N 3.33Å; V211-A214 PolarHBondContact O-N 2.96Å; V211-A214 VanDerWaalsContact O-N 3.09Å; F212-A214 VanDerWaalsContact C-N 3.26Å; F212-A214 PolarHBondContact O-N 2.95Å
215	H	91.1	Very high	92	Very high	52 Å²	52	73.1 Å²	73.1	24%	0.241	38%	0.381	C	S	.	.	H	α-helix	trans	-106	-30.9	-175.1	-72.5	-89.8	0	0	0	114	F58 E61 F179 V211 F212	F58-H215 HydrophobicContact CD2-CB 4.02Å; E61-H215 IonicContact OE1-NE2 3.72Å; E61-H215 IonicContact OE2-CD2 3.67Å; E61-H215 IonicContact OE2-CE1 3.97Å; E61-H215 IonicContact OE2-NE2 2.63Å; E61-H215 PolarHBondContact OE2-NE2 2.72Å; F179-H215 HydrophobicContact CE1-CB 4.08Å; F179-H215 HydrophobicContact CZ-CB 3.93Å; V211-H215 PolarHBondContact O-CD2 3.04Å; V211-H215 VanDerWaalsContact O-CD2 3.26Å; V211-H215 PolarHBondContact O-N 3.44Å; F212-H215 PolarHBondContact O-N 2.84Å
216	Q	88.7	Confident	91.3	Very high	82 Å²	82	71 Å²	71	38%	0.383	37%	0.372	S	S	.	.	S	Bend	trans	-77.4	134	178.1	-72	-174.2	-26.2	0	0	111.8	F179 F212	F179-Q216 HydrophobicContact CB-CG 4.34Å; F179-Q216 HydrophobicContact CD1-CG 3.93Å; F179-Q216 HydrophobicContact CD2-CG 3.75Å; F179-Q216 HydrophobicContact CE1-CG 4.12Å; F179-Q216 HydrophobicContact CE2-CG 3.94Å; F179-Q216 HydrophobicContact CG-CG 3.76Å; F179-Q216 HydrophobicContact CZ-CG 4.13Å; F212-Q216 HydrophobicContact CD1-CG 4.31Å; F212-Q216 VanDerWaalsContact O-CB 3.27Å; F212-Q216 WeakPolarHBondContact O-CB 3.43Å; F212-Q216 WeakPolarHBondContact O-CG 3.39Å; F212-Q216 PolarHBondContact O-N 2.91Å
217	M	86.2	Confident	90.5	Very high	79 Å²	79	71.9 Å²	71.9	39%	0.389	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-86.9	136.2	175.2	-66.4	176.1	67.1	0	0	110.9	F172 D221 R222 T225	F172-M217 HydrophobicContact CE1-CE 4.1Å; F172-M217 HydrophobicContact CE1-SD 3.83Å; F172-M217 HydrophobicContact CZ-CE 4.32Å; M217-D221 HydrophobicContact CB-CB 4.22Å; M217-D221 HydrophobicContact CE-CB 3.96Å; M217-D221 WeakPolarHBondContact CE-O 3.24Å; M217-R222 HydrophobicContact CB-CG 3.9Å; M217-T225 HydrophobicContact CE-CG2 4.32Å; M217-T225 WeakPolarHBondContact CE-OG1 3.32Å
218	S	88.5	Confident	89.8	Confident	56 Å²	56	77.1 Å²	77.1	39%	0.392	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-65.7	160.5	169.7	76.1	0	0	0	0	111.1	F220 D221 R222	S218-F220 PolarHBondContact O-N 2.91Å; S218-F220 VanDerWaalsContact O-N 3.16Å; S218-F220 PolarHBondContact OG-N 2.96Å; S218-D221 WeakPolarHBondContact CB-OD2 2.92Å; S218-D221 PolarHBondContact N-OD2 3.41Å; S218-D221 PolarHBondContact O-N 2.85Å; S218-D221 VanDerWaalsContact O-N 3.1Å; S218-D221 VanDerWaalsContact OG-CG 3.23Å; S218-D221 PolarHBondContact OG-N 2.85Å; S218-D221 VanDerWaalsContact OG-N 3.15Å; S218-D221 PolarHBondContact OG-OD2 2.75Å; S218-R222 WeakPolarHBondContact O-CG 3.5Å; S218-R222 PolarHBondContact O-N 2.95Å
219	S	88.1	Confident	89.1	Confident	95 Å²	95	77.1 Å²	77.1	66%	0.664	39%	0.386	S	S	*	.	H	α-helix	trans	-57.5	-30.6	175.1	-46.6	0	0	0	0	112.6	T223	S219-T223 PolarHBondContact O-N 3.16Å; S219-T223 VanDerWaalsContact O-N 3.14Å; S219-T223 PolarHBondContact O-OG1 2.95Å
220	F	89.5	Confident	88	Confident	149 Å²	149	74 Å²	74	65%	0.654	37%	0.368	S	S	*	.	H	α-helix	trans	-69.8	-47.8	174.9	-177.6	-96.5	0	0	0	111.6	S218 R222 T223 L224	S218-F220 PolarHBondContact O-N 2.91Å; S218-F220 VanDerWaalsContact O-N 3.16Å; S218-F220 PolarHBondContact OG-N 2.96Å; F220-R222 VanDerWaalsContact C-N 3.27Å; F220-R222 PolarHBondContact O-N 3.25Å; F220-T223 PolarHBondContact O-N 2.93Å; F220-L224 HydrophobicContact CE1-CD2 4.36Å; F220-L224 WeakPolarHBondContact O-CB 3.47Å; F220-L224 PolarHBondContact O-N 2.8Å
221	D	88.6	Confident	87.1	Confident	70 Å²	70	74.3 Å²	74.3	37%	0.374	37%	0.365	S	S	.	.	H	α-helix	trans	-63	-36.4	179.1	-62.6	-49	0	0	0	111.9	M217 S218 T225	M217-D221 HydrophobicContact CB-CB 4.22Å; M217-D221 HydrophobicContact CE-CB 3.96Å; M217-D221 WeakPolarHBondContact CE-O 3.24Å; S218-D221 WeakPolarHBondContact CB-OD2 2.92Å; S218-D221 PolarHBondContact N-OD2 3.41Å; S218-D221 PolarHBondContact O-N 2.85Å; S218-D221 VanDerWaalsContact O-N 3.1Å; S218-D221 VanDerWaalsContact OG-CG 3.23Å; S218-D221 PolarHBondContact OG-N 2.85Å; S218-D221 VanDerWaalsContact OG-N 3.15Å; S218-D221 PolarHBondContact OG-OD2 2.75Å; D221-T225 VanDerWaalsContact O-CB 3.28Å; D221-T225 WeakPolarHBondContact O-CB 3.3Å; D221-T225 PolarHBondContact O-N 2.98Å; D221-T225 PolarHBondContact O-OG1 3.03Å
222	R	87	Confident	86.2	Confident	64 Å²	64	76.5 Å²	76.5	24%	0.242	38%	0.376	C	S	.	.	H	α-helix	trans	-59.5	-53	172	-73.5	175.8	55.2	177.2	0.9	111	F172 E176 M217 S218 F220 L224 T225 T226	F172-R222 HydrophobicContact CD1-CG 3.82Å; F172-R222 HydrophobicContact CE1-CB 4.37Å; F172-R222 HydrophobicContact CE1-CG 3.88Å; F172-R222 HydrophobicContact CE2-CB 4.38Å; F172-R222 HydrophobicContact CG-CG 4.27Å; F172-R222 HydrophobicContact CZ-CB 4.31Å; F172-R222 HydrophobicContact CZ-CG 4.32Å; E176-R222 IonicContact OE2-CZ 2.6Å; E176-R222 IonicContact OE2-NH1 2.77Å; E176-R222 PolarHBondContact OE2-NH1 3.3Å; E176-R222 IonicContact OE2-NH2 3.61Å; M217-R222 HydrophobicContact CB-CG 3.9Å; S218-R222 WeakPolarHBondContact O-CG 3.5Å; S218-R222 PolarHBondContact O-N 2.95Å; F220-R222 VanDerWaalsContact C-N 3.27Å; F220-R222 PolarHBondContact O-N 3.25Å; R222-L224 VanDerWaalsContact C-N 3.33Å; R222-L224 PolarHBondContact O-N 3.09Å; R222-T225 PolarHBondContact O-N 2.91Å; R222-T225 VanDerWaalsContact O-N 3.11Å; R222-T226 PolarHBondContact O-N 2.05Å; R222-T226 PolarHBondContact O-OG1 3.38Å
223	T	86.3	Confident	85.6	Confident	94 Å²	94	76 Å²	76	58%	0.577	38%	0.375	S	S	*	.	H	α-helix	trans	-58.2	-45.7	179.4	-57.3	0	0	0	0	111.6	S219 F220 T225 T226 E227	S219-T223 PolarHBondContact O-N 3.16Å; S219-T223 VanDerWaalsContact O-N 3.14Å; S219-T223 PolarHBondContact O-OG1 2.95Å; F220-T223 PolarHBondContact O-N 2.93Å; T223-T225 VanDerWaalsContact C-N 3.3Å; T223-T225 PolarHBondContact O-N 3.42Å; T223-T226 PolarHBondContact O-N 3.26Å; T223-E227 PolarHBondContact O-N 3.31Å
224	L	86.6	Confident	85.2	Confident	50 Å²	50	66.7 Å²	66.7	26%	0.262	34%	0.341	S	S	.	.	H	α-helix	trans	-62.5	-38.1	177.4	-178.8	61.1	0	0	0	112	F220 R222 E227 R228	F220-L224 HydrophobicContact CE1-CD2 4.36Å; F220-L224 WeakPolarHBondContact O-CB 3.47Å; F220-L224 PolarHBondContact O-N 2.8Å; R222-L224 VanDerWaalsContact C-N 3.33Å; R222-L224 PolarHBondContact O-N 3.09Å; L224-E227 PolarHBondContact O-N 3.36Å; L224-R228 VanDerWaalsContact O-CG 3.32Å; L224-R228 WeakPolarHBondContact O-CG 3.47Å; L224-R228 PolarHBondContact O-N 3.49Å
225	T	85.6	Confident	84.8	Confident	20 Å²	20	67.1 Å²	67.1	12%	0.123	33%	0.332	C	S	.	.	H	α-helix	trans	-69.1	-45.9	177.1	-61.4	0	0	0	0	111.3	L49 F172 M217 D221 R222 T223 E227 R228 T229	L49-T225 HydrophobicContact CD1-CG2 3.65Å; L49-T225 HydrophobicContact CD2-CG2 3.44Å; L49-T225 VanDerWaalsContact CD2-CG2 3.44Å; L49-T225 HydrophobicContact CG-CG2 4.19Å; F172-T225 HydrophobicContact CZ-CG2 3.9Å; M217-T225 HydrophobicContact CE-CG2 4.32Å; M217-T225 WeakPolarHBondContact CE-OG1 3.32Å; D221-T225 VanDerWaalsContact O-CB 3.28Å; D221-T225 WeakPolarHBondContact O-CB 3.3Å; D221-T225 PolarHBondContact O-N 2.98Å; D221-T225 PolarHBondContact O-OG1 3.03Å; R222-T225 PolarHBondContact O-N 2.91Å; R222-T225 VanDerWaalsContact O-N 3.11Å; T223-T225 VanDerWaalsContact C-N 3.3Å; T223-T225 PolarHBondContact O-N 3.42Å; T225-E227 VanDerWaalsContact C-N 3.26Å; T225-E227 PolarHBondContact O-N 2.79Å; T225-R228 WeakPolarHBondContact O-CB 3.44Å; T225-R228 PolarHBondContact O-N 3.3Å; T225-R228 VanDerWaalsContact O-N 3.08Å; T225-T229 PolarHBondContact O-N 3.08Å; T225-T229 PolarHBondContact O-OG1 2.98Å
226	T	83.4	Confident	84.7	Confident	15 Å²	15	65.3 Å²	65.3	9%	0.092	32%	0.324	C	S	.	.	H	α-helix	trans	-54.5	-43.4	172.6	-56.1	0	0	0	0	111.5	M165 T168 F172 R222 T223 T229 F230	M165-T226 HydrophobicContact CB-CG2 4.43Å; M165-T226 HydrophobicContact CE-CG2 4.07Å; M165-T226 HydrophobicContact CG-CG2 4.12Å; T168-T226 HydrophobicContact CG2-CG2 4.24Å; F172-T226 WeakPolarHBondContact CE2-OG1 3.42Å; R222-T226 PolarHBondContact O-N 2.05Å; R222-T226 PolarHBondContact O-OG1 3.38Å; T223-T226 PolarHBondContact O-N 3.26Å; T226-T229 PolarHBondContact O-N 3.3Å; T226-F230 PolarHBondContact O-N 3.15Å
227	E	80.9	Confident	84.7	Confident	90 Å²	90	61.9 Å²	61.9	42%	0.421	31%	0.311	S	S	.	.	H	α-helix	trans	-62.8	-44.2	176.3	-167.3	-166.3	145.4	0	0	112.1	T223 L224 T225 F230 R231	T223-E227 PolarHBondContact O-N 3.31Å; L224-E227 PolarHBondContact O-N 3.36Å; T225-E227 VanDerWaalsContact C-N 3.26Å; T225-E227 PolarHBondContact O-N 2.79Å; E227-F230 WeakPolarHBondContact O-CB 3.47Å; E227-F230 PolarHBondContact O-N 2.67Å; E227-R231 PolarHBondContact O-N 2.66Å; E227-R231 IonicContact OE1-CZ 3.88Å; E227-R231 IonicContact OE1-NE 2.98Å; E227-R231 PolarHBondContact OE1-NE 3.09Å; E227-R231 IonicContact OE1-NH2 2.59Å; E227-R231 PolarHBondContact OE1-NH2 3.25Å
228	R	84.2	Confident	84.8	Confident	150 Å²	150	59.1 Å²	59.1	57%	0.566	30%	0.299	S	S	*	.	H	α-helix	trans	-62.8	-45.3	176.9	-74.1	172	-179.7	176.7	0.9	111.6	L224 T225 F230 R231 L232	L224-R228 VanDerWaalsContact O-CG 3.32Å; L224-R228 WeakPolarHBondContact O-CG 3.47Å; L224-R228 PolarHBondContact O-N 3.49Å; T225-R228 WeakPolarHBondContact O-CB 3.44Å; T225-R228 PolarHBondContact O-N 3.3Å; T225-R228 VanDerWaalsContact O-N 3.08Å; R228-F230 PolarHBondContact O-N 3.09Å; R228-R231 WeakPolarHBondContact O-CB 3.43Å; R228-R231 PolarHBondContact O-N 2.86Å; R228-R231 VanDerWaalsContact O-N 3.07Å; R228-L232 PolarHBondContact O-N 3.08Å; R228-L232 VanDerWaalsContact O-N 3.12Å
229	T	81.5	Confident	85	Confident	6 Å²	6	61.4 Å²	61.4	4%	0.037	30%	0.303	C	S	.	.	H	α-helix	trans	-60.6	-37	176	-49.4	0	0	0	0	111.1	Y42 I46 T225 T226 L232 L233	Y42-T229 HydrophobicContact CD2-CG2 4.27Å; Y42-T229 HydrophobicContact CE2-CG2 3.52Å; I46-T229 HydrophobicContact CD1-CG2 3.74Å; T225-T229 PolarHBondContact O-N 3.08Å; T225-T229 PolarHBondContact O-OG1 2.98Å; T226-T229 PolarHBondContact O-N 3.3Å; T229-L232 VanDerWaalsContact O-CB 3.28Å; T229-L232 WeakPolarHBondContact O-CB 3.16Å; T229-L232 PolarHBondContact O-N 3.46Å; T229-L233 PolarHBondContact O-N 2.82Å
230	F	75.4	Confident	85.2	Confident	13 Å²	13	57 Å²	57	6%	0.057	27%	0.273	C	S	.	.	H	α-helix	trans	-65.1	-40.6	172.8	176.2	-104	0	0	0	113.2	K161 T226 E227 R228 L232 L233 Q312	K161-F230 HydrophobicContact CB-CD2 4.09Å; K161-F230 HydrophobicContact CB-CE2 3.5Å; K161-F230 VanDerWaalsContact CB-CE2 3.5Å; K161-F230 HydrophobicContact CB-CZ 4.23Å; K161-F230 HydrophobicContact CD-CD1 4.27Å; K161-F230 HydrophobicContact CD-CD2 3.71Å; K161-F230 HydrophobicContact CD-CE1 3.89Å; K161-F230 HydrophobicContact CD-CE2 3.29Å; K161-F230 HydrophobicContact CD-CG 4.18Å; K161-F230 HydrophobicContact CD-CZ 3.38Å; K161-F230 VanDerWaalsContact CE-CD1 3.47Å; K161-F230 VanDerWaalsContact CE-CG 3.48Å; K161-F230 HydrophobicContact CG-CD2 3.45Å; K161-F230 VanDerWaalsContact CG-CD2 3.45Å; K161-F230 HydrophobicContact CG-CE2 3.24Å; K161-F230 HydrophobicContact CG-CG 4.26Å; K161-F230 HydrophobicContact CG-CZ 3.92Å; K161-F230 VanDerWaalsContact NZ-CE1 3.31Å; T226-F230 PolarHBondContact O-N 3.15Å; E227-F230 WeakPolarHBondContact O-CB 3.47Å; E227-F230 PolarHBondContact O-N 2.67Å; R228-F230 PolarHBondContact O-N 3.09Å; F230-L232 PolarHBondContact O-N 2.77Å; F230-L233 HydrophobicContact CD2-CB 4.25Å; F230-L233 HydrophobicContact CD2-CD2 3.99Å; F230-L233 HydrophobicContact CE2-CB 4.48Å; F230-L233 HydrophobicContact CE2-CD2 3.8Å; F230-L233 WeakPolarHBondContact O-CA 3.1Å; F230-L233 WeakPolarHBondContact O-CB 3.49Å; F230-L233 PolarHBondContact O-N 2.73Å; F230-Q312 VanDerWaalsContact CE1-OE1 3.25Å
231	R	78.4	Confident	85.4	Confident	154 Å²	154	50.8 Å²	50.8	58%	0.581	25%	0.245	S	C	*	.	H	α-helix	trans	-59.9	-32.2	174.4	-66.3	-178.8	-171.6	-168.1	2.6	111.7	E227 R228 L233 C234	E227-R231 PolarHBondContact O-N 2.66Å; E227-R231 IonicContact OE1-CZ 3.88Å; E227-R231 IonicContact OE1-NE 2.98Å; E227-R231 PolarHBondContact OE1-NE 3.09Å; E227-R231 IonicContact OE1-NH2 2.59Å; E227-R231 PolarHBondContact OE1-NH2 3.25Å; R228-R231 WeakPolarHBondContact O-CB 3.43Å; R228-R231 PolarHBondContact O-N 2.86Å; R228-R231 VanDerWaalsContact O-N 3.07Å; R231-L233 VanDerWaalsContact C-N 3.3Å; R231-L233 PolarHBondContact O-N 3.48Å; R231-C234 PolarHBondContact O-N 2.77Å
232	L	78.2	Confident	85.5	Confident	60 Å²	60	54.9 Å²	54.9	31%	0.314	26%	0.26	S	S	.	.	H	α-helix	trans	-62.1	-37.5	171.3	-60.5	171.1	0	0	0	111.5	E45 R228 T229 F230 C234 N235 V236	E45-L232 HydrophobicContact CB-CD1 4.16Å; E45-L232 HydrophobicContact CG-CD1 3.8Å; R228-L232 PolarHBondContact O-N 3.08Å; R228-L232 VanDerWaalsContact O-N 3.12Å; T229-L232 VanDerWaalsContact O-CB 3.28Å; T229-L232 WeakPolarHBondContact O-CB 3.16Å; T229-L232 PolarHBondContact O-N 3.46Å; F230-L232 PolarHBondContact O-N 2.77Å; L232-C234 VanDerWaalsContact C-N 3.31Å; L232-C234 PolarHBondContact O-N 2.88Å; L232-N235 PolarHBondContact O-N 3.26Å; L232-N235 VanDerWaalsContact O-N 3.08Å; L232-V236 WeakPolarHBondContact O-CB 3.32Å; L232-V236 VanDerWaalsContact O-CG2 3.3Å; L232-V236 WeakPolarHBondContact O-CG2 3.46Å; L232-V236 PolarHBondContact O-N 2.85Å
233	L	83.2	Confident	85.8	Confident	13 Å²	13	56 Å²	56	7%	0.068	28%	0.283	C	S	.	.	H	α-helix	trans	-57	-41.6	179.1	-170.1	73.3	0	0	0	112.6	V38 Y42 Y164 T229 F230 R231 G237	V38-L233 HydrophobicContact CG1-CD1 3.49Å; V38-L233 VanDerWaalsContact CG1-CD1 3.49Å; Y42-L233 HydrophobicContact CD2-CB 4.38Å; Y42-L233 HydrophobicContact CD2-CD1 3.78Å; Y42-L233 HydrophobicContact CE2-CB 4.38Å; Y42-L233 HydrophobicContact CE2-CD1 4.3Å; Y42-L233 HydrophobicContact CG-CD1 4.37Å; Y164-L233 HydrophobicContact CD1-CD1 4.11Å; Y164-L233 HydrophobicContact CD2-CD1 3.75Å; Y164-L233 HydrophobicContact CD2-CD2 3.38Å; Y164-L233 HydrophobicContact CD2-CG 4.22Å; Y164-L233 HydrophobicContact CE1-CD1 4.03Å; Y164-L233 HydrophobicContact CE2-CD1 3.67Å; Y164-L233 HydrophobicContact CE2-CD2 3.8Å; Y164-L233 HydrophobicContact CE2-CG 4.35Å; Y164-L233 HydrophobicContact CG-CD1 3.98Å; Y164-L233 HydrophobicContact CG-CD2 4.04Å; T229-L233 PolarHBondContact O-N 2.82Å; F230-L233 HydrophobicContact CD2-CB 4.25Å; F230-L233 HydrophobicContact CD2-CD2 3.99Å; F230-L233 HydrophobicContact CE2-CB 4.48Å; F230-L233 HydrophobicContact CE2-CD2 3.8Å; F230-L233 WeakPolarHBondContact O-CA 3.1Å; F230-L233 WeakPolarHBondContact O-CB 3.49Å; F230-L233 PolarHBondContact O-N 2.73Å; R231-L233 VanDerWaalsContact C-N 3.3Å; R231-L233 PolarHBondContact O-N 3.48Å; L233-G237 PolarHBondContact O-N 3.27Å
234	C	84	Confident	86.1	Confident	8 Å²	8	51.9 Å²	51.9	5%	0.054	26%	0.258	C	S	.	.	H	α-helix	trans	-64.4	-43.9	176	-67.9	0	0	0	0	111.7	R231 L232 G237 V238 C313 V316	R231-C234 PolarHBondContact O-N 2.77Å; L232-C234 VanDerWaalsContact C-N 3.31Å; L232-C234 PolarHBondContact O-N 2.88Å; C234-G237 PolarHBondContact O-N 3.24Å; C234-V238 WeakPolarHBondContact O-CG2 3.13Å; C234-V238 PolarHBondContact O-N 2.93Å; C234-C313 WeakPolarHBondContact CA-SG 3.36Å; C234-C313 HydrophobicContact CB-CB 3.76Å; C234-C313 WeakPolarHBondContact CB-SG 3.49Å; C234-C313 WeakPolarHBondContact SG-CA 3.45Å; C234-C313 WeakPolarHBondContact SG-CB 3.33Å; C234-C313 CovalentContact SG-SG 2.05Å; C234-C313 PolarHBondContact SG-SG 3.27Å; C234-V316 HydrophobicContact CB-CB 4.37Å; C234-V316 HydrophobicContact CB-CG2 4.16Å
235	N	86	Confident	86.4	Confident	89 Å²	89	55.1 Å²	55.1	48%	0.476	27%	0.266	S	S	.	.	H	α-helix	trans	-65.4	-43.8	178.4	-70.8	-26.1	0	0	0	112.1	L232 G237 V238 E239 V316	L232-N235 PolarHBondContact O-N 3.26Å; L232-N235 VanDerWaalsContact O-N 3.08Å; N235-G237 VanDerWaalsContact C-N 3.32Å; N235-V238 WeakPolarHBondContact O-CB 3.3Å; N235-V238 PolarHBondContact O-N 2.99Å; N235-E239 PolarHBondContact O-N 3.03Å; N235-V316 WeakPolarHBondContact OD1-CG1 3.43Å
236	V	88.2	Confident	86.7	Confident	14 Å²	14	61.8 Å²	61.8	9%	0.085	30%	0.296	C	S	.	.	H	α-helix	trans	-60.1	-44.5	174.1	164.5	0	0	0	0	110.3	V38 K41 L232 V238 E239 C240	V38-V236 HydrophobicContact CB-CG1 4.25Å; V38-V236 HydrophobicContact CG1-CG1 4.14Å; V38-V236 HydrophobicContact CG2-CG1 4.29Å; K41-V236 HydrophobicContact CB-CB 4.42Å; K41-V236 HydrophobicContact CB-CG1 3.58Å; K41-V236 HydrophobicContact CB-CG2 3.91Å; K41-V236 HydrophobicContact CD-CG1 3.83Å; K41-V236 HydrophobicContact CD-CG2 4.34Å; K41-V236 HydrophobicContact CG-CG1 4.36Å; L232-V236 WeakPolarHBondContact O-CB 3.32Å; L232-V236 VanDerWaalsContact O-CG2 3.3Å; L232-V236 WeakPolarHBondContact O-CG2 3.46Å; L232-V236 PolarHBondContact O-N 2.85Å; V236-V238 VanDerWaalsContact C-N 3.32Å; V236-V238 PolarHBondContact O-N 3.15Å; V236-E239 PolarHBondContact O-N 3.08Å; V236-C240 WeakPolarHBondContact O-CB 3.44Å; V236-C240 PolarHBondContact O-N 3.41Å; V236-C240 PolarHBondContact O-SG 2.93Å
237	G	89.7	Confident	87	Confident	11 Å²	11	64.3 Å²	64.3	11%	0.113	31%	0.313	C	S	.	.	H	α-helix	trans	-57.3	-43	174.6	0	0	0	0	0	112.5	F34 L233 C234 N235 H241	F34-G237 WeakPolarHBondContact CE2-O 2.87Å; L233-G237 PolarHBondContact O-N 3.27Å; C234-G237 PolarHBondContact O-N 3.24Å; N235-G237 VanDerWaalsContact C-N 3.32Å; G237-H241 WeakPolarHBondContact O-CB 3.46Å; G237-H241 PolarHBondContact O-N 3.48Å
238	V	88.5	Confident	87.6	Confident	21 Å²	21	60 Å²	60	13%	0.127	29%	0.293	C	S	.	.	H	α-helix	trans	-62.5	-46.1	175.6	178.7	0	0	0	0	111.2	C234 N235 V236 H241 K242 V316 L317	C234-V238 WeakPolarHBondContact O-CG2 3.13Å; C234-V238 PolarHBondContact O-N 2.93Å; N235-V238 WeakPolarHBondContact O-CB 3.3Å; N235-V238 PolarHBondContact O-N 2.99Å; V236-V238 VanDerWaalsContact C-N 3.32Å; V236-V238 PolarHBondContact O-N 3.15Å; V238-H241 PolarHBondContact O-N 3.24Å; V238-K242 HydrophobicContact CG1-CD 4.22Å; V238-K242 WeakPolarHBondContact O-CG 3.16Å; V238-K242 PolarHBondContact O-N 3.07Å; V238-V316 HydrophobicContact CG2-CB 4.36Å; V238-V316 HydrophobicContact CG2-CG1 3.74Å; V238-L317 HydrophobicContact CB-CD2 3.98Å; V238-L317 HydrophobicContact CG2-CB 4.42Å; V238-L317 HydrophobicContact CG2-CD2 3.32Å; V238-L317 HydrophobicContact CG2-CG 3.69Å
239	E	91.2	Very high	88	Confident	104 Å²	104	55.5 Å²	55.5	49%	0.486	28%	0.278	S	S	.	.	H	α-helix	trans	-62.9	-48.9	-179.5	-167.2	-170.2	155.2	0	0	111.5	K41 N235 V236 H241 K242 A243	K41-E239 VanDerWaalsContact CE-OE1 3.3Å; K41-E239 WeakPolarHBondContact CE-OE1 3.43Å; K41-E239 WeakPolarHBondContact CE-OE2 3.45Å; K41-E239 IonicContact NZ-OE1 2.86Å; K41-E239 PolarHBondContact NZ-OE1 3.44Å; K41-E239 IonicContact NZ-OE2 2.98Å; K41-E239 PolarHBondContact NZ-OE2 3.36Å; N235-E239 PolarHBondContact O-N 3.03Å; V236-E239 PolarHBondContact O-N 3.08Å; E239-H241 VanDerWaalsContact C-N 3.32Å; E239-H241 PolarHBondContact O-N 2.96Å; E239-K242 PolarHBondContact O-N 3.26Å; E239-A243 PolarHBondContact O-N 3.48Å; E239-A243 VanDerWaalsContact O-N 3.13Å
240	C	93.7	Very high	88.4	Confident	3 Å²	3	59.7 Å²	59.7	2%	0.02	30%	0.297	C	S	.	.	H	α-helix	trans	-64.8	-35.6	177.7	-64.2	0	0	0	0	112.1	F34 C37 V38 V236 A243 T244	F34-C240 HydrophobicContact CD2-CB 3.79Å; F34-C240 HydrophobicContact CE2-CB 3.96Å; C37-C240 HydrophobicContact CB-CB 3.74Å; C37-C240 WeakPolarHBondContact CB-SG 2.87Å; C37-C240 VanDerWaalsContact SG-CA 3.58Å; C37-C240 WeakPolarHBondContact SG-CB 3.16Å; C37-C240 CovalentContact SG-SG 2.05Å; C37-C240 PolarHBondContact SG-SG 3.17Å; V38-C240 HydrophobicContact CG2-CB 3.87Å; V38-C240 PolarHBondContact N-SG 2.9Å; V38-C240 VanDerWaalsContact N-SG 3.38Å; V236-C240 WeakPolarHBondContact O-CB 3.44Å; V236-C240 PolarHBondContact O-N 3.41Å; V236-C240 PolarHBondContact O-SG 2.93Å; C240-A243 PolarHBondContact O-N 3.11Å; C240-T244 PolarHBondContact O-N 2.96Å; C240-T244 PolarHBondContact O-OG1 2.84Å; C240-T244 VanDerWaalsContact O-OG1 3.1Å
241	H	92	Very high	89.2	Confident	17 Å²	17	61 Å²	61	8%	0.079	30%	0.302	C	S	.	.	H	α-helix	trans	-65.5	-43.5	175.3	-177.3	-97.5	0	0	0	111.6	F34 G237 V238 E239 A243 T244 Q249	F34-H241 HydrophobicContact CD2-CB 4.37Å; F34-H241 HydrophobicContact CE2-CB 3.92Å; G237-H241 WeakPolarHBondContact O-CB 3.46Å; G237-H241 PolarHBondContact O-N 3.48Å; V238-H241 PolarHBondContact O-N 3.24Å; E239-H241 VanDerWaalsContact C-N 3.32Å; E239-H241 PolarHBondContact O-N 2.96Å; H241-A243 VanDerWaalsContact C-N 3.26Å; H241-A243 PolarHBondContact O-N 3.04Å; H241-T244 WeakPolarHBondContact O-CB 3.42Å; H241-T244 PolarHBondContact O-N 3.36Å; H241-T244 PolarHBondContact O-OG1 2.98Å; H241-Q249 PolarHBondContact NE2-O 3.39Å
242	K	91.9	Very high	89.7	Confident	156 Å²	156	53.8 Å²	53.8	68%	0.678	28%	0.275	S	S	*	.	H	α-helix	trans	-63.1	-31.2	175.5	-74.4	175.7	179.9	178.3	0	113.3	V238 E239 T244	V238-K242 HydrophobicContact CG1-CD 4.22Å; V238-K242 WeakPolarHBondContact O-CG 3.16Å; V238-K242 PolarHBondContact O-N 3.07Å; E239-K242 PolarHBondContact O-N 3.26Å; K242-T244 PolarHBondContact O-N 3.21Å
243	A	93.1	Very high	90.1	Very high	87 Å²	87	54.1 Å²	54.1	72%	0.719	28%	0.277	S	S	*	.	H	α-helix	trans	-73.8	-14.4	174.8	0	0	0	0	0	113.4	E239 C240 H241	E239-A243 PolarHBondContact O-N 3.48Å; E239-A243 VanDerWaalsContact O-N 3.13Å; C240-A243 PolarHBondContact O-N 3.11Å; H241-A243 VanDerWaalsContact C-N 3.26Å; H241-A243 PolarHBondContact O-N 3.04Å
244	T	93.2	Very high	90.4	Very high	9 Å²	9	58.3 Å²	58.3	6%	0.055	30%	0.295	C	S	.	.	S	Bend	trans	-72.5	139.8	175.2	-54.9	0	0	0	0	109.6	D30 C240 H241 K242 E246 C248 Q249 V252	D30-T244 HydrophobicContact CB-CG2 3.94Å; C240-T244 PolarHBondContact O-N 2.96Å; C240-T244 PolarHBondContact O-OG1 2.84Å; C240-T244 VanDerWaalsContact O-OG1 3.1Å; H241-T244 WeakPolarHBondContact O-CB 3.42Å; H241-T244 PolarHBondContact O-N 3.36Å; H241-T244 PolarHBondContact O-OG1 2.98Å; K242-T244 PolarHBondContact O-N 3.21Å; T244-E246 PolarHBondContact O-N 3.24Å; T244-C248 HydrophobicContact CG2-CB 3.95Å; T244-Q249 HydrophobicContact CG2-CG 4.17Å; T244-Q249 WeakPolarHBondContact O-CG 3.41Å; T244-Q249 PolarHBondContact O-NE2 3.44Å; T244-V252 HydrophobicContact CG2-CG2 3.72Å
245	R	93	Very high	90.8	Very high	117 Å²	117	58 Å²	58	44%	0.442	29%	0.292	S	S	.	.			trans	-55.8	135.7	175.3	-63.8	-176.1	-59.6	127.8	-5.1	110.7	D26 D30 P247 C248 Q249	D26-R245 PolarHBondContact O-NH2 3.27Å; D30-R245 WeakPolarHBondContact OD1-CG 3.32Å; D30-R245 IonicContact OD1-NE 3.62Å; D30-R245 PolarHBondContact OD1-NE 3.09Å; D30-R245 VanDerWaalsContact OD1-NE 3.1Å; D30-R245 IonicContact OD2-CZ 3.58Å; D30-R245 VanDerWaalsContact OD2-CZ 3.28Å; D30-R245 IonicContact OD2-NE 3.42Å; D30-R245 PolarHBondContact OD2-NE 3.16Å; D30-R245 IonicContact OD2-NH2 2.86Å; D30-R245 PolarHBondContact OD2-NH2 3.3Å; R245-P247 VanDerWaalsContact C-CD 3.43Å; R245-P247 VanDerWaalsContact C-N 3.33Å; R245-P247 VanDerWaalsContact O-N 3.16Å; R245-C248 PolarHBondContact NH2-SG 2.84Å; R245-C248 WeakPolarHBondContact O-CA 3.45Å; R245-C248 PolarHBondContact O-N 2.85Å; R245-Q249 PolarHBondContact O-N 2.85Å; R245-Q249 VanDerWaalsContact O-N 3.13Å
246	E	90.8	Very high	91.1	Very high	161 Å²	161	56.1 Å²	56.1	75%	0.752	28%	0.278	S	S	*	.	H	α-helix	trans	-47.9	-44.3	-176.3	-171.6	-173.6	178.7	0	0	114	T244 C248 Q249	T244-E246 PolarHBondContact O-N 3.24Å; E246-C248 PolarHBondContact O-N 3.48Å; E246-C248 VanDerWaalsContact O-N 3.13Å; E246-Q249 PolarHBondContact O-N 2.82Å
247	P	90.6	Very high	91.4	Very high	68 Å²	68	59.8 Å²	59.8	44%	0.442	30%	0.301	S	S	.	.	H	α-helix	trans	-63.7	-22	177.8	-22.6	35.6	0	0	0	114.6	P25 R245	P25-P247 HydrophobicContact CB-CB 4.38Å; P25-P247 HydrophobicContact CG-CB 4.02Å; R245-P247 VanDerWaalsContact C-CD 3.43Å; R245-P247 VanDerWaalsContact C-N 3.33Å; R245-P247 VanDerWaalsContact O-N 3.16Å
248	C	93.3	Very high	91.6	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-102.2	-12.5	-175.9	-65.5	0	0	0	0	114.3	C27 D30 T244 R245 E246 Q250 W251 V252	C27-C248 WeakPolarHBondContact CA-SG 3.23Å; C27-C248 HydrophobicContact CB-CB 3.63Å; C27-C248 WeakPolarHBondContact CB-SG 3.39Å; C27-C248 WeakPolarHBondContact SG-CA 3.33Å; C27-C248 WeakPolarHBondContact SG-CB 3.25Å; C27-C248 CovalentContact SG-SG 2.04Å; C27-C248 PolarHBondContact SG-SG 3.43Å; D30-C248 HydrophobicContact CB-CB 3.77Å; T244-C248 HydrophobicContact CG2-CB 3.95Å; R245-C248 PolarHBondContact NH2-SG 2.84Å; R245-C248 WeakPolarHBondContact O-CA 3.45Å; R245-C248 PolarHBondContact O-N 2.85Å; E246-C248 PolarHBondContact O-N 3.48Å; E246-C248 VanDerWaalsContact O-N 3.13Å; C248-Q250 VanDerWaalsContact C-N 3.27Å; C248-Q250 PolarHBondContact O-N 3.31Å; C248-W251 WeakPolarHBondContact O-CA 3.49Å; C248-W251 WeakPolarHBondContact O-CB 3.46Å; C248-W251 PolarHBondContact O-N 3.3Å; C248-V252 PolarHBondContact O-N 2.83Å; C248-V252 VanDerWaalsContact O-N 3.11Å
249	Q	91.7	Very high	91.9	Very high	54 Å²	54	59.9 Å²	59.9	25%	0.252	30%	0.299	S	S	.	.	H	α-helix	trans	-56.4	-39.7	179.2	-78.7	177.1	2.8	0	0	112.9	H241 T244 R245 E246 W251	H241-Q249 PolarHBondContact NE2-O 3.39Å; T244-Q249 HydrophobicContact CG2-CG 4.17Å; T244-Q249 WeakPolarHBondContact O-CG 3.41Å; T244-Q249 PolarHBondContact O-NE2 3.44Å; R245-Q249 PolarHBondContact O-N 2.85Å; R245-Q249 VanDerWaalsContact O-N 3.13Å; E246-Q249 PolarHBondContact O-N 2.82Å; Q249-W251 VanDerWaalsContact C-N 3.3Å; Q249-W251 PolarHBondContact O-N 3.12Å
250	Q	90.3	Very high	92.1	Very high	95 Å²	95	55.7 Å²	55.7	44%	0.444	28%	0.281	S	S	.	.	H	α-helix	trans	-66.5	-32.6	175.5	62.1	171	-35.7	0	0	112.7	C248 L253 K254	C248-Q250 VanDerWaalsContact C-N 3.27Å; C248-Q250 PolarHBondContact O-N 3.31Å; Q250-L253 PolarHBondContact O-N 2.78Å; Q250-K254 WeakPolarHBondContact O-CB 3.39Å; Q250-K254 WeakPolarHBondContact O-CG 3.23Å; Q250-K254 PolarHBondContact O-N 2.99Å
251	W	91.5	Very high	92.3	Very high	39 Å²	39	60.2 Å²	60.2	15%	0.148	31%	0.305	C	S	.	.	H	α-helix	trans	-73.2	-37.2	-177.9	-74.8	112.4	0	0	0	111.1	T24 C27 I31 T146 V147 C248 Q249 L253 K254 T255	T24-W251 HydrophobicContact CG2-CZ2 4.09Å; C27-W251 HydrophobicContact CB-CB 4.1Å; C27-W251 HydrophobicContact CB-CG 4.29Å; C27-W251 VanDerWaalsContact SG-CD1 3.56Å; I31-W251 HydrophobicContact CD1-CB 4.26Å; T146-W251 HydrophobicContact CG2-CH2 3.44Å; T146-W251 VanDerWaalsContact CG2-CH2 3.44Å; T146-W251 HydrophobicContact CG2-CZ3 3.42Å; T146-W251 VanDerWaalsContact CG2-CZ3 3.42Å; V147-W251 HydrophobicContact CG2-CD2 4.36Å; V147-W251 HydrophobicContact CG2-CE3 3.68Å; V147-W251 HydrophobicContact CG2-CZ3 3.97Å; C248-W251 WeakPolarHBondContact O-CA 3.49Å; C248-W251 WeakPolarHBondContact O-CB 3.46Å; C248-W251 PolarHBondContact O-N 3.3Å; Q249-W251 VanDerWaalsContact C-N 3.3Å; Q249-W251 PolarHBondContact O-N 3.12Å; W251-L253 PolarHBondContact O-N 3.26Å; W251-K254 HydrophobicContact CE3-CB 4.35Å; W251-K254 HydrophobicContact CE3-CD 4.49Å; W251-K254 PolarHBondContact O-N 2.99Å; W251-T255 WeakPolarHBondContact O-CB 3.14Å; W251-T255 PolarHBondContact O-N 2.74Å; W251-T255 PolarHBondContact O-OG1 2.94Å
252	V	90.2	Very high	92.5	Very high	3 Å²	3	59.6 Å²	59.6	2%	0.018	30%	0.302	C	S	.	.	H	α-helix	trans	-51.8	-45.2	170.8	171.3	0	0	0	0	111.6	I31 F34 T244 C248	I31-V252 HydrophobicContact CG1-CG2 4.08Å; F34-V252 HydrophobicContact CB-CG1 4.18Å; F34-V252 HydrophobicContact CB-CG2 4.09Å; F34-V252 HydrophobicContact CD1-CG1 3.44Å; F34-V252 VanDerWaalsContact CD1-CG1 3.44Å; F34-V252 HydrophobicContact CD2-CG1 3.68Å; F34-V252 HydrophobicContact CE1-CG1 3.63Å; F34-V252 HydrophobicContact CE2-CG1 3.86Å; F34-V252 HydrophobicContact CG-CG1 3.46Å; F34-V252 VanDerWaalsContact CG-CG1 3.46Å; F34-V252 HydrophobicContact CG-CG2 4.27Å; F34-V252 HydrophobicContact CZ-CG1 3.83Å; T244-V252 HydrophobicContact CG2-CG2 3.72Å; C248-V252 PolarHBondContact O-N 2.83Å; C248-V252 VanDerWaalsContact O-N 3.11Å
253	L	86.4	Confident	92.7	Very high	67 Å²	67	52.7 Å²	52.7	35%	0.351	27%	0.274	S	S	.	.	H	α-helix	trans	-73.4	-45.4	179.9	-58.6	173.2	0	0	0	112.1	Q250 W251 T255 L319	Q250-L253 PolarHBondContact O-N 2.78Å; W251-L253 PolarHBondContact O-N 3.26Å; L253-T255 VanDerWaalsContact C-N 3.28Å; L253-T255 PolarHBondContact O-N 2.83Å; L253-L319 HydrophobicContact CD1-CD1 3.94Å; L253-L319 HydrophobicContact CD1-CD2 3.52Å; L253-L319 HydrophobicContact CD1-CG 4.34Å; L253-L319 HydrophobicContact CD2-CD1 4.17Å
254	K	90.4	Very high	92.9	Very high	102 Å²	102	51.7 Å²	51.7	44%	0.443	26%	0.262	S	S	.	.	H	α-helix	trans	-67.4	-25.2	-179	-74.9	174.6	176.3	170.8	0	113.6	Q250 W251 R256 T257 L258	Q250-K254 WeakPolarHBondContact O-CB 3.39Å; Q250-K254 WeakPolarHBondContact O-CG 3.23Å; Q250-K254 PolarHBondContact O-N 2.99Å; W251-K254 HydrophobicContact CE3-CB 4.35Å; W251-K254 HydrophobicContact CE3-CD 4.49Å; W251-K254 PolarHBondContact O-N 2.99Å; K254-R256 PolarHBondContact O-N 3.26Å; K254-T257 PolarHBondContact O-N 2.91Å; K254-L258 WeakPolarHBondContact O-CB 3.28Å; K254-L258 PolarHBondContact O-N 3.5Å
255	T	92.2	Very high	93.1	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-58.8	-33.4	-176.3	-62.6	0	0	0	0	112.3	I31 F150 L158 W251 L253 L258 A259	I31-T255 VanDerWaalsContact CD1-OG1 3.22Å; I31-T255 WeakPolarHBondContact CD1-OG1 3.47Å; I31-T255 HydrophobicContact CG2-CG2 4.17Å; F150-T255 HydrophobicContact CD2-CG2 4.07Å; F150-T255 HydrophobicContact CE2-CG2 3.41Å; F150-T255 VanDerWaalsContact CE2-CG2 3.41Å; F150-T255 HydrophobicContact CZ-CG2 3.96Å; L158-T255 HydrophobicContact CD1-CG2 4.07Å; L158-T255 HydrophobicContact CD2-CG2 4.41Å; W251-T255 WeakPolarHBondContact O-CB 3.14Å; W251-T255 PolarHBondContact O-N 2.74Å; W251-T255 PolarHBondContact O-OG1 2.94Å; L253-T255 VanDerWaalsContact C-N 3.28Å; L253-T255 PolarHBondContact O-N 2.83Å; T255-L258 PolarHBondContact O-N 2.97Å; T255-A259 VanDerWaalsContact O-CB 3.29Å; T255-A259 WeakPolarHBondContact O-CB 3.45Å; T255-A259 PolarHBondContact O-N 3.25Å
256	R	92.5	Very high	93.2	Very high	51 Å²	51	50.8 Å²	50.8	19%	0.192	27%	0.271	C	S	.	.	H	α-helix	trans	-63.3	-51.4	176.5	-71.7	178.8	169.8	-162.4	-6	112.2	Y35 L158 K254 L258 A259 C260 M306	Y35-R256 PolarHBondContact OH-NE 3.38Å; L158-R256 HydrophobicContact CD1-CB 4.47Å; L158-R256 HydrophobicContact CD1-CG 4.02Å; K254-R256 PolarHBondContact O-N 3.26Å; R256-L258 VanDerWaalsContact C-N 3.34Å; R256-L258 PolarHBondContact O-N 3.37Å; R256-A259 PolarHBondContact O-N 2.85Å; R256-C260 PolarHBondContact O-N 3.47Å; R256-C260 VanDerWaalsContact O-N 3.11Å; R256-M306 HydrophobicContact CB-CB 4.42Å; R256-M306 HydrophobicContact CB-SD 4.01Å; R256-M306 HydrophobicContact CG-CG 4.48Å; R256-M306 HydrophobicContact CG-SD 4.08Å; R256-M306 PolarHBondContact NH1-O 3.23Å
257	T	93.3	Very high	93.5	Very high	90 Å²	90	44.7 Å²	44.7	55%	0.552	24%	0.243	S	C	*	.	H	α-helix	trans	-61.3	-45.2	176.7	-53.1	0	0	0	0	110.9	K254 A259 C260 D261	K254-T257 PolarHBondContact O-N 2.91Å; T257-A259 PolarHBondContact O-N 3.2Å; T257-C260 WeakPolarHBondContact O-CB 3.28Å; T257-C260 PolarHBondContact O-N 2.74Å; T257-C260 VanDerWaalsContact O-N 3.13Å; T257-D261 VanDerWaalsContact O-CG 3.32Å; T257-D261 PolarHBondContact O-N 2.85Å
258	L	94.7	Very high	93.8	Very high	27 Å²	27	45.6 Å²	45.6	14%	0.141	24%	0.244	C	C	.	.	H	α-helix	trans	-60.4	-43.3	178.4	179.8	61.3	0	0	0	112.6	V143 T146 V147 K254 T255 R256 C260 D261 C262	V143-L258 HydrophobicContact CB-CD2 4.49Å; V143-L258 HydrophobicContact CB-CG 4.49Å; V143-L258 HydrophobicContact CG1-CD2 3.71Å; V143-L258 HydrophobicContact CG1-CG 4.08Å; V143-L258 HydrophobicContact CG2-CG 4.34Å; T146-L258 HydrophobicContact CG2-CD2 3.97Å; V147-L258 HydrophobicContact CG2-CD2 3.87Å; K254-L258 WeakPolarHBondContact O-CB 3.28Å; K254-L258 PolarHBondContact O-N 3.5Å; T255-L258 PolarHBondContact O-N 2.97Å; R256-L258 VanDerWaalsContact C-N 3.34Å; R256-L258 PolarHBondContact O-N 3.37Å; L258-C260 VanDerWaalsContact C-N 3.3Å; L258-C260 PolarHBondContact O-N 3.38Å; L258-D261 PolarHBondContact O-N 3.21Å; L258-C262 VanDerWaalsContact O-CB 3.31Å; L258-C262 WeakPolarHBondContact O-CB 3.28Å; L258-C262 PolarHBondContact O-N 2.92Å; L258-C262 PolarHBondContact O-SG 3.39Å
259	A	94.8	Very high	94	Very high	7 Å²	7	49.6 Å²	49.6	6%	0.058	27%	0.265	C	S	.	.	H	α-helix	trans	-62.8	-37.7	176	0	0	0	0	0	112	V143 F152 L158 T255 R256 T257 A263	V143-A259 HydrophobicContact CG2-CB 4.38Å; F152-A259 HydrophobicContact CE1-CB 4.09Å; F152-A259 HydrophobicContact CZ-CB 4.39Å; L158-A259 HydrophobicContact CD1-CB 3.78Å; T255-A259 VanDerWaalsContact O-CB 3.29Å; T255-A259 WeakPolarHBondContact O-CB 3.45Å; T255-A259 PolarHBondContact O-N 3.25Å; R256-A259 PolarHBondContact O-N 2.85Å; T257-A259 PolarHBondContact O-N 3.2Å; A259-A263 VanDerWaalsContact O-CB 3.29Å; A259-A263 WeakPolarHBondContact O-CB 3.49Å; A259-A263 PolarHBondContact O-N 2.9Å
260	C	95.7	Very high	94.2	Very high	16 Å²	16	47.1 Å²	47.1	11%	0.108	25%	0.254	C	S	.	.	H	α-helix	trans	-68.7	-42.9	176.1	-80.4	0	0	0	0	113.8	R256 T257 L258 C262 A263 S264 C303	R256-C260 PolarHBondContact O-N 3.47Å; R256-C260 VanDerWaalsContact O-N 3.11Å; T257-C260 WeakPolarHBondContact O-CB 3.28Å; T257-C260 PolarHBondContact O-N 2.74Å; T257-C260 VanDerWaalsContact O-N 3.13Å; L258-C260 VanDerWaalsContact C-N 3.3Å; L258-C260 PolarHBondContact O-N 3.38Å; C260-C262 VanDerWaalsContact C-N 3.32Å; C260-A263 PolarHBondContact O-N 3.17Å; C260-S264 WeakPolarHBondContact O-CB 3.47Å; C260-S264 PolarHBondContact O-N 2.86Å; C260-S264 PolarHBondContact O-OG 3.47Å; C260-C303 WeakPolarHBondContact CA-SG 3.48Å; C260-C303 HydrophobicContact CB-CB 3.92Å; C260-C303 WeakPolarHBondContact CB-SG 3.36Å; C260-C303 WeakPolarHBondContact SG-CA 3.45Å; C260-C303 WeakPolarHBondContact SG-CB 3.43Å; C260-C303 CovalentContact SG-SG 2.03Å; C260-C303 PolarHBondContact SG-SG 2.73Å
261	D	96.8	Very high	94.5	Very high	98 Å²	98	42.6 Å²	42.6	52%	0.524	23%	0.233	S	C	.	.	H	α-helix	trans	-63.7	-41.3	175.2	-66.9	-19.8	0	0	0	110.5	T257 L258 S264 S265	T257-D261 VanDerWaalsContact O-CG 3.32Å; T257-D261 PolarHBondContact O-N 2.85Å; L258-D261 PolarHBondContact O-N 3.21Å; D261-S264 PolarHBondContact O-N 3.11Å; D261-S265 WeakPolarHBondContact O-CB 3.43Å; D261-S265 PolarHBondContact O-N 3.3Å; D261-S265 PolarHBondContact O-OG 3.42Å
262	C	97.2	Very high	94.8	Very high	4 Å²	4	43.8 Å²	43.8	3%	0.027	24%	0.242	C	C	.	.	H	α-helix	trans	-65.8	-45.6	174.6	-80.6	0	0	0	0	113.1	I139 C142 V143 L258 C260 S264 S265 E266	I139-C262 HydrophobicContact CG2-CB 4.01Å; C142-C262 HydrophobicContact CB-CB 3.56Å; C142-C262 WeakPolarHBondContact CB-SG 3.41Å; C142-C262 WeakPolarHBondContact SG-CA 3.44Å; C142-C262 WeakPolarHBondContact SG-CB 3.29Å; C142-C262 CovalentContact SG-SG 2.05Å; C142-C262 PolarHBondContact SG-SG 3.11Å; V143-C262 HydrophobicContact CG2-CB 3.9Å; V143-C262 PolarHBondContact N-SG 3.05Å; L258-C262 VanDerWaalsContact O-CB 3.31Å; L258-C262 WeakPolarHBondContact O-CB 3.28Å; L258-C262 PolarHBondContact O-N 2.92Å; L258-C262 PolarHBondContact O-SG 3.39Å; C260-C262 VanDerWaalsContact C-N 3.32Å; C262-S264 PolarHBondContact O-N 3Å; C262-S265 WeakPolarHBondContact CA-OG 3.47Å; C262-S265 PolarHBondContact O-N 3.37Å; C262-S265 PolarHBondContact O-OG 3.33Å; C262-E266 WeakPolarHBondContact O-CB 3.44Å; C262-E266 WeakPolarHBondContact O-CG 3.5Å; C262-E266 PolarHBondContact O-N 2.83Å
263	A	95.7	Very high	95	Very high	11 Å²	11	45.1 Å²	45.1	9%	0.091	25%	0.251	C	S	.	.	H	α-helix	trans	-61.4	-34.6	177.1	0	0	0	0	0	112.1	I139 A259 C260 Y295 V299	I139-A263 HydrophobicContact CD1-CB 4.13Å; I139-A263 HydrophobicContact CG2-CB 4.2Å; A259-A263 VanDerWaalsContact O-CB 3.29Å; A259-A263 WeakPolarHBondContact O-CB 3.49Å; A259-A263 PolarHBondContact O-N 2.9Å; C260-A263 PolarHBondContact O-N 3.17Å; A263-Y295 WeakPolarHBondContact O-CE1 3.41Å; A263-Y295 PolarHBondContact O-OH 2.83Å; A263-V299 HydrophobicContact CB-CG1 3.9Å; A263-V299 HydrophobicContact CB-CG2 4Å
264	S	96.6	Very high	95.5	Very high	67 Å²	67	42.6 Å²	42.6	47%	0.469	24%	0.238	S	C	.	.	H	α-helix	trans	-76.1	-41.1	177.6	-55.4	0	0	0	0	112.5	C260 D261 C262 E267	C260-S264 WeakPolarHBondContact O-CB 3.47Å; C260-S264 PolarHBondContact O-N 2.86Å; C260-S264 PolarHBondContact O-OG 3.47Å; D261-S264 PolarHBondContact O-N 3.11Å; C262-S264 PolarHBondContact O-N 3Å; S264-E267 WeakPolarHBondContact O-CB 3.29Å
265	S	96.9	Very high	95.7	Very high	80 Å²	80	38.2 Å²	38.2	56%	0.559	22%	0.221	S	C	*	.	H	α-helix	trans	-75	-31.1	-179.1	54.3	0	0	0	0	113.6	D261 C262 E267	D261-S265 WeakPolarHBondContact O-CB 3.43Å; D261-S265 PolarHBondContact O-N 3.3Å; D261-S265 PolarHBondContact O-OG 3.42Å; C262-S265 WeakPolarHBondContact CA-OG 3.47Å; C262-S265 PolarHBondContact O-N 3.37Å; C262-S265 PolarHBondContact O-OG 3.33Å; S265-E267 VanDerWaalsContact C-N 3.28Å; S265-E267 PolarHBondContact O-N 3.49Å
266	E	96.4	Very high	95.9	Very high	26 Å²	26	43.6 Å²	43.6	12%	0.121	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	7.4	177	-63.3	-64.3	160.1	0	0	113	C142 K145 C262 D268 N269 V270	C142-E266 HydrophobicContact CB-CG 3.82Å; K145-E266 IonicContact NZ-OE1 2.63Å; C262-E266 WeakPolarHBondContact O-CB 3.44Å; C262-E266 WeakPolarHBondContact O-CG 3.5Å; C262-E266 PolarHBondContact O-N 2.83Å; E266-D268 PolarHBondContact O-N 2.94Å; E266-N269 PolarHBondContact O-N 3.41Å; E266-N269 VanDerWaalsContact O-N 3.07Å; E266-N269 PolarHBondContact OE2-ND2 2.77Å; E266-V270 HydrophobicContact CB-CG2 4.34Å; E266-V270 WeakPolarHBondContact O-CG2 3.4Å; E266-V270 PolarHBondContact O-N 3.08Å
267	E	96.7	Very high	96.1	Very high	34 Å²	34	41.9 Å²	41.9	16%	0.159	24%	0.242	C	C	.	.	H	α-helix	trans	-48.7	-53.7	-175.8	176	-172.2	126	0	0	113	S264 S265 N269 V270 V271 R292 Y295 K296	S264-E267 WeakPolarHBondContact O-CB 3.29Å; S265-E267 VanDerWaalsContact C-N 3.28Å; S265-E267 PolarHBondContact O-N 3.49Å; E267-N269 VanDerWaalsContact C-N 3.31Å; E267-N269 PolarHBondContact O-N 2.99Å; E267-V270 PolarHBondContact O-N 2.91Å; E267-V271 HydrophobicContact CG-CG2 4.26Å; E267-V271 WeakPolarHBondContact O-CB 3.42Å; E267-V271 WeakPolarHBondContact O-CG2 3.37Å; E267-V271 PolarHBondContact O-N 3.01Å; E267-R292 VanDerWaalsContact OE1-CD 3.3Å; E267-R292 WeakPolarHBondContact OE1-CD 3.13Å; E267-R292 WeakPolarHBondContact OE1-CG 3.1Å; E267-R292 IonicContact OE1-NE 3.87Å; E267-Y295 HydrophobicContact CB-CD1 4.39Å; E267-Y295 HydrophobicContact CB-CE1 3.93Å; E267-Y295 HydrophobicContact CG-CD1 3.85Å; E267-Y295 HydrophobicContact CG-CE1 3.91Å; E267-K296 WeakPolarHBondContact OE1-CE 3.44Å; E267-K296 IonicContact OE1-NZ 2.75Å; E267-K296 PolarHBondContact OE1-NZ 3.15Å; E267-K296 WeakPolarHBondContact OE2-CE 3.47Å; E267-K296 VanDerWaalsContact OE2-CG 3.28Å; E267-K296 WeakPolarHBondContact OE2-CG 3.47Å; E267-K296 IonicContact OE2-NZ 3.18Å
268	D	97.2	Very high	96.2	Very high	86 Å²	86	38.5 Å²	38.5	46%	0.46	22%	0.219	S	C	.	.	H	α-helix	trans	-65.3	-37	-176.9	-83.5	-37	0	0	0	111.6	E266 N272 R292	E266-D268 PolarHBondContact O-N 2.94Å; D268-N272 WeakPolarHBondContact O-CB 3.16Å; D268-N272 PolarHBondContact O-N 2.71Å; D268-N272 PolarHBondContact O-ND2 2.96Å; D268-N272 PolarHBondContact O-OD1 3.07Å; D268-R292 IonicContact OD1-CZ 2.76Å; D268-R292 IonicContact OD1-NE 3.94Å; D268-R292 PolarHBondContact OD1-NE 2.91Å; D268-R292 IonicContact OD1-NH2 2.63Å; D268-R292 PolarHBondContact OD1-NH2 3.16Å
269	N	97.1	Very high	96.2	Very high	84 Å²	84	38.9 Å²	38.9	45%	0.449	22%	0.224	S	C	.	.	H	α-helix	trans	-66.5	-43.9	177.7	-68.8	-30.2	0	0	0	111.3	L138 E266 E267 S273	L138-N269 HydrophobicContact CD1-CB 4.07Å; E266-N269 PolarHBondContact O-N 3.41Å; E266-N269 VanDerWaalsContact O-N 3.07Å; E266-N269 PolarHBondContact OE2-ND2 2.77Å; E267-N269 VanDerWaalsContact C-N 3.31Å; E267-N269 PolarHBondContact O-N 2.99Å; N269-S273 VanDerWaalsContact O-CB 3.28Å; N269-S273 WeakPolarHBondContact O-CB 3.49Å; N269-S273 PolarHBondContact O-N 3.39Å
270	V	96.1	Very high	96.2	Very high	3 Å²	3	45.2 Å²	45.2	2%	0.018	25%	0.25	C	S	.	.	H	α-helix	trans	-63.1	-50.8	176.3	169.3	0	0	0	0	110.8	A135 L138 I139 E266 E267 N272 S273 L274 Y295	A135-V270 HydrophobicContact CB-CG1 4.21Å; L138-V270 HydrophobicContact CB-CG2 4.25Å; L138-V270 HydrophobicContact CD1-CG2 4.09Å; I139-V270 HydrophobicContact CD1-CG2 4.34Å; I139-V270 HydrophobicContact CG1-CG2 4.02Å; E266-V270 HydrophobicContact CB-CG2 4.34Å; E266-V270 WeakPolarHBondContact O-CG2 3.4Å; E266-V270 PolarHBondContact O-N 3.08Å; E267-V270 PolarHBondContact O-N 2.91Å; V270-N272 PolarHBondContact O-N 3.45Å; V270-S273 PolarHBondContact O-N 2.9Å; V270-L274 HydrophobicContact CG1-CD1 3.84Å; V270-L274 HydrophobicContact CG1-CG 4.34Å; V270-L274 WeakPolarHBondContact O-CG 3.28Å; V270-L274 PolarHBondContact O-N 2.9Å; V270-Y295 HydrophobicContact CB-CE2 4.21Å; V270-Y295 HydrophobicContact CG1-CD2 3.79Å; V270-Y295 HydrophobicContact CG1-CE2 3.43Å; V270-Y295 VanDerWaalsContact CG1-CE2 3.43Å
271	V	96.7	Very high	96.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-62.2	-42.4	-179.3	168.8	0	0	0	0	111.5	E267 A275 K288 I291 R292 Y295	E267-V271 HydrophobicContact CG-CG2 4.26Å; E267-V271 WeakPolarHBondContact O-CB 3.42Å; E267-V271 WeakPolarHBondContact O-CG2 3.37Å; E267-V271 PolarHBondContact O-N 3.01Å; V271-A275 VanDerWaalsContact O-CB 3.31Å; V271-A275 WeakPolarHBondContact O-CB 3.32Å; V271-A275 PolarHBondContact O-N 2.67Å; V271-K288 HydrophobicContact CG1-CG 3.68Å; V271-I291 HydrophobicContact CG1-CG2 4.29Å; V271-R292 HydrophobicContact CG1-CB 3.97Å; V271-R292 HydrophobicContact CG2-CB 4.03Å; V271-R292 HydrophobicContact CG2-CG 4.2Å; V271-Y295 HydrophobicContact CG2-CD1 4.27Å; V271-Y295 HydrophobicContact CG2-CG 4.32Å
272	N	96.6	Very high	96	Very high	64 Å²	64	41.3 Å²	41.3	34%	0.342	23%	0.228	S	C	.	.	H	α-helix	trans	-59.5	-49.2	175.1	-72.2	-23.3	0	0	0	111.1	D268 V270 A275 E276 K288	D268-N272 WeakPolarHBondContact O-CB 3.16Å; D268-N272 PolarHBondContact O-N 2.71Å; D268-N272 PolarHBondContact O-ND2 2.96Å; D268-N272 PolarHBondContact O-OD1 3.07Å; V270-N272 PolarHBondContact O-N 3.45Å; N272-A275 PolarHBondContact O-N 3.36Å; N272-E276 WeakPolarHBondContact O-CB 3.37Å; N272-E276 PolarHBondContact O-N 2.8Å; N272-K288 WeakPolarHBondContact OD1-CE 3.49Å; N272-K288 PolarHBondContact OD1-NZ 3.48Å
273	S	96.1	Very high	95.8	Very high	30 Å²	30	44 Å²	44	21%	0.21	26%	0.257	C	S	.	.	H	α-helix	trans	-60.1	-46.5	-179.6	-176.6	0	0	0	0	111.8	N269 V270 S277	N269-S273 VanDerWaalsContact O-CB 3.28Å; N269-S273 WeakPolarHBondContact O-CB 3.49Å; N269-S273 PolarHBondContact O-N 3.39Å; V270-S273 PolarHBondContact O-N 2.9Å; S273-S277 WeakPolarHBondContact O-CB 3.37Å; S273-S277 PolarHBondContact O-N 2.6Å; S273-S277 PolarHBondContact O-OG 2.94Å
274	L	95.3	Very high	95.6	Very high	15 Å²	15	44 Å²	44	8%	0.079	26%	0.256	C	S	.	.	H	α-helix	trans	-64.3	-48.8	178.5	-69.3	175.2	0	0	0	111.8	A135 V270 E276 S277 Y278 I291	A135-L274 HydrophobicContact CB-CD2 3.73Å; A135-L274 HydrophobicContact CB-CG 4.02Å; V270-L274 HydrophobicContact CG1-CD1 3.84Å; V270-L274 HydrophobicContact CG1-CG 4.34Å; V270-L274 WeakPolarHBondContact O-CG 3.28Å; V270-L274 PolarHBondContact O-N 2.9Å; L274-E276 PolarHBondContact O-N 3.21Å; L274-S277 PolarHBondContact O-N 3.01Å; L274-Y278 HydrophobicContact CB-CD2 4.47Å; L274-Y278 HydrophobicContact CB-CE2 4.27Å; L274-Y278 HydrophobicContact CD2-CE1 4.12Å; L274-Y278 HydrophobicContact CD2-CE2 4.29Å; L274-Y278 WeakPolarHBondContact O-CB 3.38Å; L274-Y278 VanDerWaalsContact O-CG 3.25Å; L274-Y278 PolarHBondContact O-N 3.48Å; L274-I291 HydrophobicContact CB-CG2 4.26Å; L274-I291 HydrophobicContact CD1-CG2 4.42Å
275	A	95.8	Very high	95.5	Very high	9 Å²	9	45.3 Å²	45.3	7%	0.074	27%	0.266	C	S	.	.	H	α-helix	trans	-58.7	-47	-179.8	0	0	0	0	0	112.1	V271 N272 S279 T286 K288 I291	V271-A275 VanDerWaalsContact O-CB 3.31Å; V271-A275 WeakPolarHBondContact O-CB 3.32Å; V271-A275 PolarHBondContact O-N 2.67Å; N272-A275 PolarHBondContact O-N 3.36Å; A275-S279 VanDerWaalsContact O-CB 3.32Å; A275-S279 WeakPolarHBondContact O-CB 3.43Å; A275-S279 PolarHBondContact O-N 3.37Å; A275-S279 VanDerWaalsContact O-N 3.12Å; A275-S279 PolarHBondContact O-OG 2.95Å; A275-T286 PolarHBondContact O-OG1 3.41Å; A275-T286 VanDerWaalsContact O-OG1 3.1Å; A275-K288 HydrophobicContact CB-CB 4.36Å; A275-K288 HydrophobicContact CB-CG 4.26Å; A275-I291 HydrophobicContact CB-CD1 4.03Å
276	E	96.1	Very high	95.3	Very high	113 Å²	113	42.9 Å²	42.9	53%	0.528	25%	0.247	S	C	.	.	H	α-helix	trans	-65	-46.3	178	-175.4	-179.9	170.9	0	0	111.7	N272 L274 S279 K280	N272-E276 WeakPolarHBondContact O-CB 3.37Å; N272-E276 PolarHBondContact O-N 2.8Å; L274-E276 PolarHBondContact O-N 3.21Å; E276-S279 PolarHBondContact O-N 3.01Å; E276-K280 WeakPolarHBondContact O-CG 3.34Å; E276-K280 PolarHBondContact O-N 2.9Å; E276-K280 WeakPolarHBondContact OE1-CE 3.43Å; E276-K280 IonicContact OE1-NZ 2.63Å; E276-K280 PolarHBondContact OE1-NZ 2.86Å
277	S	95.5	Very high	95.3	Very high	16 Å²	16	44.2 Å²	44.2	11%	0.112	26%	0.256	C	S	.	.	H	α-helix	trans	-76.7	-37	-171.3	-49.3	0	0	0	0	112.1	Q131 S273 L274 K280 C281	Q131-S277 VanDerWaalsContact CG-CB 3.44Å; S273-S277 WeakPolarHBondContact O-CB 3.37Å; S273-S277 PolarHBondContact O-N 2.6Å; S273-S277 PolarHBondContact O-OG 2.94Å; L274-S277 PolarHBondContact O-N 3.01Å; S277-K280 WeakPolarHBondContact O-CB 3.08Å; S277-K280 PolarHBondContact O-N 3.39Å; S277-C281 PolarHBondContact O-N 2.95Å; S277-C281 PolarHBondContact O-SG 2.6Å
278	Y	95.3	Very high	95.3	Very high	19 Å²	19	46.3 Å²	46.3	8%	0.075	26%	0.264	C	S	.	.	H	α-helix	trans	-65.2	-39.8	170.9	-73.1	-9.4	0	0	0	112.2	W111 F112 A128 D132 L274 K280 C281 F282 I291	W111-Y278 HydrophobicContact CE3-CD2 4.23Å; W111-Y278 AromaticContact CE3-CE2 3.91Å; W111-Y278 HydrophobicContact CE3-CE2 3.91Å; W111-Y278 HydrophobicContact CH2-CE2 4.24Å; W111-Y278 HydrophobicContact CZ3-CD2 4.18Å; W111-Y278 AromaticContact CZ3-CE2 3.4Å; W111-Y278 HydrophobicContact CZ3-CE2 3.4Å; W111-Y278 VanDerWaalsContact CZ3-CE2 3.4Å; F112-Y278 HydrophobicContact CZ-CD2 4.46Å; F112-Y278 HydrophobicContact CZ-CG 4.49Å; A128-Y278 HydrophobicContact CB-CD1 4.21Å; A128-Y278 HydrophobicContact CB-CE1 3.97Å; D132-Y278 VanDerWaalsContact OD1-CE1 3.3Å; D132-Y278 WeakPolarHBondContact OD1-CE1 3.2Å; D132-Y278 VanDerWaalsContact OD1-CZ 3.26Å; D132-Y278 PolarHBondContact OD1-OH 2.85Å; L274-Y278 HydrophobicContact CB-CD2 4.47Å; L274-Y278 HydrophobicContact CB-CE2 4.27Å; L274-Y278 HydrophobicContact CD2-CE1 4.12Å; L274-Y278 HydrophobicContact CD2-CE2 4.29Å; L274-Y278 WeakPolarHBondContact O-CB 3.38Å; L274-Y278 VanDerWaalsContact O-CG 3.25Å; L274-Y278 PolarHBondContact O-N 3.48Å; Y278-K280 PolarHBondContact O-N 2.82Å; Y278-C281 PolarHBondContact O-N 3.1Å; Y278-F282 HydrophobicContact CD1-CE2 4.21Å; Y278-F282 HydrophobicContact CG-CE2 4.22Å; Y278-F282 VanDerWaalsContact O-CD2 3.25Å; Y278-F282 WeakPolarHBondContact O-CD2 3.41Å; Y278-F282 PolarHBondContact O-N 3.16Å; Y278-I291 HydrophobicContact CD2-CD1 4.42Å
279	S	95.1	Very high	95.3	Very high	35 Å²	35	47.7 Å²	47.7	25%	0.245	27%	0.268	C	S	.	.	H	α-helix	trans	-57.1	-39.2	174.5	-66.9	0	0	0	0	111.6	A275 E276 G283 A284 T286	A275-S279 VanDerWaalsContact O-CB 3.32Å; A275-S279 WeakPolarHBondContact O-CB 3.43Å; A275-S279 PolarHBondContact O-N 3.37Å; A275-S279 VanDerWaalsContact O-N 3.12Å; A275-S279 PolarHBondContact O-OG 2.95Å; E276-S279 PolarHBondContact O-N 3.01Å; S279-G283 VanDerWaalsContact O-CA 3.25Å; S279-G283 WeakPolarHBondContact O-CA 3.33Å; S279-G283 PolarHBondContact O-N 3.15Å; S279-A284 WeakPolarHBondContact CA-O 3.46Å; S279-A284 WeakPolarHBondContact CB-O 3.14Å; S279-A284 PolarHBondContact O-N 3.35Å; S279-A284 PolarHBondContact OG-O 3.35Å; S279-T286 WeakPolarHBondContact OG-CG2 3.18Å; S279-T286 PolarHBondContact OG-N 2.93Å; S279-T286 PolarHBondContact OG-OG1 3.42Å; S279-T286 VanDerWaalsContact OG-OG1 3.05Å
280	K	95.4	Very high	95.3	Very high	140 Å²	140	45.9 Å²	45.9	61%	0.609	26%	0.257	S	S	*	.	H	α-helix	trans	-70.8	-46.9	175.1	-68.3	172.1	-172.8	170.7	0	112.9	E276 S277 Y278 F282	E276-K280 WeakPolarHBondContact O-CG 3.34Å; E276-K280 PolarHBondContact O-N 2.9Å; E276-K280 WeakPolarHBondContact OE1-CE 3.43Å; E276-K280 IonicContact OE1-NZ 2.63Å; E276-K280 PolarHBondContact OE1-NZ 2.86Å; S277-K280 WeakPolarHBondContact O-CB 3.08Å; S277-K280 PolarHBondContact O-N 3.39Å; Y278-K280 PolarHBondContact O-N 2.82Å; K280-F282 PolarHBondContact O-N 3.14Å
281	C	94.8	Very high	95.2	Very high	13 Å²	13	45.8 Å²	45.8	9%	0.088	26%	0.256	C	S	.	.	H	α-helix	trans	-61.7	-43.7	-178.9	-70.2	0	0	0	0	111.7	Q124 C127 S277 Y278	Q124-C281 WeakPolarHBondContact CG-O 3.36Å; C127-C281 HydrophobicContact CB-CB 3.69Å; C127-C281 WeakPolarHBondContact CB-SG 3.43Å; C127-C281 WeakPolarHBondContact SG-CA 3.27Å; C127-C281 WeakPolarHBondContact SG-CB 3.46Å; C127-C281 CovalentContact SG-SG 2.04Å; C127-C281 PolarHBondContact SG-SG 3.26Å; S277-C281 PolarHBondContact O-N 2.95Å; S277-C281 PolarHBondContact O-SG 2.6Å; Y278-C281 PolarHBondContact O-N 3.1Å
282	F	93.7	Very high	95.2	Very high	19 Å²	19	47.2 Å²	47.2	8%	0.083	26%	0.262	C	S	.	.	H	α-helix	trans	-95.1	-12	-175.3	-60.1	-64.1	0	0	0	113.7	L107 F112 K118 V120 Q124 A128 Y278 K280 A284	L107-F282 HydrophobicContact CD1-CB 4.05Å; L107-F282 HydrophobicContact CD1-CG 4.35Å; L107-F282 HydrophobicContact CD2-CB 4.25Å; L107-F282 HydrophobicContact CD2-CD1 3.5Å; L107-F282 HydrophobicContact CD2-CD2 4.03Å; L107-F282 HydrophobicContact CD2-CE1 3.74Å; L107-F282 HydrophobicContact CD2-CE2 4.24Å; L107-F282 HydrophobicContact CD2-CG 3.65Å; L107-F282 HydrophobicContact CD2-CZ 4.09Å; F112-F282 HydrophobicContact CE1-CB 4.12Å; F112-F282 AromaticContact CE1-CD2 3.71Å; F112-F282 HydrophobicContact CE1-CD2 3.71Å; F112-F282 HydrophobicContact CE1-CG 4.28Å; F112-F282 HydrophobicContact CE2-CD2 4.2Å; F112-F282 HydrophobicContact CE2-CE2 4.41Å; F112-F282 HydrophobicContact CZ-CB 4.5Å; F112-F282 AromaticContact CZ-CD2 3.31Å; F112-F282 HydrophobicContact CZ-CD2 3.31Å; F112-F282 AromaticContact CZ-CE2 3.79Å; F112-F282 HydrophobicContact CZ-CE2 3.79Å; F112-F282 HydrophobicContact CZ-CG 4.16Å; K118-F282 WeakPolarHBondContact CE-O 3.38Å; K118-F282 PolarHBondContact NZ-O 3.48Å; V120-F282 HydrophobicContact CG1-CE1 3.85Å; V120-F282 HydrophobicContact CG2-CE1 4.35Å; Q124-F282 HydrophobicContact CB-CD1 3.76Å; Q124-F282 HydrophobicContact CB-CE1 3.78Å; Q124-F282 HydrophobicContact CG-CD1 4.38Å; A128-F282 HydrophobicContact CB-CE2 3.98Å; A128-F282 HydrophobicContact CB-CZ 3.63Å; Y278-F282 HydrophobicContact CD1-CE2 4.21Å; Y278-F282 HydrophobicContact CG-CE2 4.22Å; Y278-F282 VanDerWaalsContact O-CD2 3.25Å; Y278-F282 WeakPolarHBondContact O-CD2 3.41Å; Y278-F282 PolarHBondContact O-N 3.16Å; K280-F282 PolarHBondContact O-N 3.14Å; F282-A284 VanDerWaalsContact C-N 3.28Å; F282-A284 HydrophobicContact CB-CB 4.36Å; F282-A284 PolarHBondContact O-N 3.36Å
283	G	92.2	Very high	95.3	Very high	60 Å²	60	49.1 Å²	49.1	62%	0.619	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	41.6	-175.2	0	0	0	0	0	111.7	K118 S279	K118-G283 PolarHBondContact NZ-O 3.46Å; K118-G283 VanDerWaalsContact NZ-O 3.14Å; S279-G283 VanDerWaalsContact O-CA 3.25Å; S279-G283 WeakPolarHBondContact O-CA 3.33Å; S279-G283 PolarHBondContact O-N 3.15Å
284	A	92	Very high	95.2	Very high	10 Å²	10	50.5 Å²	50.5	8%	0.083	27%	0.274	C	S	.	.	S	Bend	trans	-143	146.9	-175.1	0	0	0	0	0	109.5	L107 F112 E115 S279 F282	L107-A284 HydrophobicContact CD1-CB 4.3Å; F112-A284 HydrophobicContact CD1-CB 3.71Å; F112-A284 HydrophobicContact CE1-CB 4.35Å; E115-A284 HydrophobicContact CG-CB 3.77Å; S279-A284 WeakPolarHBondContact CA-O 3.46Å; S279-A284 WeakPolarHBondContact CB-O 3.14Å; S279-A284 PolarHBondContact O-N 3.35Å; S279-A284 PolarHBondContact OG-O 3.35Å; F282-A284 VanDerWaalsContact C-N 3.28Å; F282-A284 HydrophobicContact CB-CB 4.36Å; F282-A284 PolarHBondContact O-N 3.36Å
285	S	93.8	Very high	95.1	Very high	96 Å²	96	50.9 Å²	50.9	67%	0.671	27%	0.274	S	S	*	.			trans	-73.7	131.8	177.6	-61.3	0	0	0	0	111.3
286	T	94.4	Very high	95.1	Very high	28 Å²	28	55 Å²	55	17%	0.172	29%	0.291	C	S	.	.			trans	-92	144.2	176.6	54.8	0	0	0	0	113.4	W111 F112 A275 S279 K288 I291	W111-T286 CarbonylContact O-C 3.2Å; W111-T286 WeakPolarHBondContact O-CA 3.41Å; F112-T286 HydrophobicContact CD1-CG2 3.94Å; F112-T286 HydrophobicContact CE1-CG2 3.4Å; F112-T286 VanDerWaalsContact CE1-CG2 3.4Å; F112-T286 HydrophobicContact CZ-CG2 3.96Å; A275-T286 PolarHBondContact O-OG1 3.41Å; A275-T286 VanDerWaalsContact O-OG1 3.1Å; S279-T286 WeakPolarHBondContact OG-CG2 3.18Å; S279-T286 PolarHBondContact OG-N 2.93Å; S279-T286 PolarHBondContact OG-OG1 3.42Å; S279-T286 VanDerWaalsContact OG-OG1 3.05Å; T286-K288 PolarHBondContact O-N 3.42Å; T286-I291 HydrophobicContact CG2-CD1 4.07Å
287	D	95.8	Very high	95.1	Very high	55 Å²	55	53.7 Å²	53.7	29%	0.294	29%	0.287	S	S	.	.			trans	-84.2	104.2	162.7	-169.4	-36.5	0	0	0	110.3	F110 W111 P113 E289 E290 I291	F110-D287 WeakPolarHBondContact O-CB 3.44Å; W111-D287 PolarHBondContact O-N 2.91Å; P113-D287 HydrophobicContact CG-CB 4.17Å; D287-E289 VanDerWaalsContact C-N 3.34Å; D287-E289 PolarHBondContact O-N 3.26Å; D287-E289 PolarHBondContact OD1-N 3.19Å; D287-E290 HydrophobicContact CB-CB 4.17Å; D287-E290 HydrophobicContact CB-CG 4.46Å; D287-E290 PolarHBondContact O-N 3Å; D287-E290 PolarHBondContact OD1-N 2.77Å; D287-I291 WeakPolarHBondContact O-CG1 3.36Å; D287-I291 PolarHBondContact O-N 3.46Å; D287-I291 VanDerWaalsContact O-N 3.07Å
288	K	96.4	Very high	94.9	Very high	77 Å²	77	56.8 Å²	56.8	34%	0.335	30%	0.302	S	S	.	.	H	α-helix	trans	-65.6	-33.2	-179	-173.9	-176.8	174.9	-177.5	0	113.3	V271 N272 A275 T286 I291 R292	V271-K288 HydrophobicContact CG1-CG 3.68Å; N272-K288 WeakPolarHBondContact OD1-CE 3.49Å; N272-K288 PolarHBondContact OD1-NZ 3.48Å; A275-K288 HydrophobicContact CB-CB 4.36Å; A275-K288 HydrophobicContact CB-CG 4.26Å; T286-K288 PolarHBondContact O-N 3.42Å; K288-I291 PolarHBondContact O-N 2.85Å; K288-R292 WeakPolarHBondContact O-CB 3.39Å; K288-R292 PolarHBondContact O-N 3.27Å
289	E	97.1	Very high	94.8	Very high	115 Å²	115	56.7 Å²	56.7	54%	0.537	30%	0.303	S	S	.	.	H	α-helix	trans	-73.2	-38.4	-179.3	-67.5	-54.7	143.9	0	0	111.1	D287 R292 K293	D287-E289 VanDerWaalsContact C-N 3.34Å; D287-E289 PolarHBondContact O-N 3.26Å; D287-E289 PolarHBondContact OD1-N 3.19Å; E289-R292 PolarHBondContact O-N 2.92Å; E289-R292 IonicContact OE1-CZ 2.95Å; E289-R292 IonicContact OE1-NH1 2.99Å; E289-R292 PolarHBondContact OE1-NH1 3.09Å; E289-R292 IonicContact OE2-CZ 2.75Å; E289-R292 IonicContact OE2-NH1 3.17Å; E289-R292 PolarHBondContact OE2-NH1 2.82Å; E289-K293 WeakPolarHBondContact O-CB 3.31Å; E289-K293 PolarHBondContact O-N 3.43Å
290	E	96.1	Very high	94.8	Very high	47 Å²	47	62.3 Å²	62.3	22%	0.22	32%	0.324	C	S	.	.	H	α-helix	trans	-69.1	-35.1	173.6	-72	-61.1	140.9	0	0	112	F110 W111 D287 K293 T294	F110-E290 HydrophobicContact CB-CB 4.39Å; F110-E290 HydrophobicContact CB-CG 4.32Å; W111-E290 PolarHBondContact NE1-O 2.91Å; D287-E290 HydrophobicContact CB-CB 4.17Å; D287-E290 HydrophobicContact CB-CG 4.46Å; D287-E290 PolarHBondContact O-N 3Å; D287-E290 PolarHBondContact OD1-N 2.77Å; E290-K293 IonicContact OE1-NZ 3.28Å; E290-K293 PolarHBondContact OE1-NZ 3Å; E290-K293 IonicContact OE2-NZ 3.73Å; E290-K293 PolarHBondContact OE2-NZ 2.79Å; E290-T294 PolarHBondContact O-N 3.28Å; E290-T294 PolarHBondContact O-OG1 3.31Å
291	I	95	Very high	94.7	Very high	1 Å²	1	64.2 Å²	64.2	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-60.9	-49	169.1	-68.4	169.3	0	0	0	110.4	W111 V271 L274 A275 Y278 T286 D287 K288 K293 T294 Y295	W111-I291 HydrophobicContact CB-CG1 4.44Å; W111-I291 HydrophobicContact CD2-CG1 3.84Å; W111-I291 HydrophobicContact CE3-CG1 4.32Å; W111-I291 HydrophobicContact CG-CG1 3.92Å; W111-I291 HydrophobicContact CZ2-CG1 4.49Å; V271-I291 HydrophobicContact CG1-CG2 4.29Å; L274-I291 HydrophobicContact CB-CG2 4.26Å; L274-I291 HydrophobicContact CD1-CG2 4.42Å; A275-I291 HydrophobicContact CB-CD1 4.03Å; Y278-I291 HydrophobicContact CD2-CD1 4.42Å; T286-I291 HydrophobicContact CG2-CD1 4.07Å; D287-I291 WeakPolarHBondContact O-CG1 3.36Å; D287-I291 PolarHBondContact O-N 3.46Å; D287-I291 VanDerWaalsContact O-N 3.07Å; K288-I291 PolarHBondContact O-N 2.85Å; I291-K293 VanDerWaalsContact C-N 3.34Å; I291-K293 PolarHBondContact O-N 3.14Å; I291-T294 PolarHBondContact O-N 3.26Å; I291-Y295 WeakPolarHBondContact O-CB 3.39Å; I291-Y295 PolarHBondContact O-N 3.45Å
292	R	97.5	Very high	94.5	Very high	30 Å²	30	66 Å²	66	11%	0.113	33%	0.333	C	S	.	.	H	α-helix	trans	-57.2	-46.3	178.8	-175.5	178	-74.1	117.3	-9.1	112	E267 D268 V271 K288 E289 Y295 K296	E267-R292 VanDerWaalsContact OE1-CD 3.3Å; E267-R292 WeakPolarHBondContact OE1-CD 3.13Å; E267-R292 WeakPolarHBondContact OE1-CG 3.1Å; E267-R292 IonicContact OE1-NE 3.87Å; D268-R292 IonicContact OD1-CZ 2.76Å; D268-R292 IonicContact OD1-NE 3.94Å; D268-R292 PolarHBondContact OD1-NE 2.91Å; D268-R292 IonicContact OD1-NH2 2.63Å; D268-R292 PolarHBondContact OD1-NH2 3.16Å; V271-R292 HydrophobicContact CG1-CB 3.97Å; V271-R292 HydrophobicContact CG2-CB 4.03Å; V271-R292 HydrophobicContact CG2-CG 4.2Å; K288-R292 WeakPolarHBondContact O-CB 3.39Å; K288-R292 PolarHBondContact O-N 3.27Å; E289-R292 PolarHBondContact O-N 2.92Å; E289-R292 IonicContact OE1-CZ 2.95Å; E289-R292 IonicContact OE1-NH1 2.99Å; E289-R292 PolarHBondContact OE1-NH1 3.09Å; E289-R292 IonicContact OE2-CZ 2.75Å; E289-R292 IonicContact OE2-NH1 3.17Å; E289-R292 PolarHBondContact OE2-NH1 2.82Å; R292-Y295 PolarHBondContact O-N 2.76Å; R292-K296 HydrophobicContact CG-CD 4.35Å; R292-K296 HydrophobicContact CG-CG 4.47Å; R292-K296 WeakPolarHBondContact O-CB 3.49Å; R292-K296 WeakPolarHBondContact O-CG 3.46Å; R292-K296 PolarHBondContact O-N 3.27Å
293	K	97.3	Very high	94.5	Very high	104 Å²	104	66.4 Å²	66.4	45%	0.452	34%	0.338	S	S	.	.	H	α-helix	trans	-61.9	-44.3	179.4	176.8	176.5	156.5	-147.6	0	111.8	E289 E290 I291 N297	E289-K293 WeakPolarHBondContact O-CB 3.31Å; E289-K293 PolarHBondContact O-N 3.43Å; E290-K293 IonicContact OE1-NZ 3.28Å; E290-K293 PolarHBondContact OE1-NZ 3Å; E290-K293 IonicContact OE2-NZ 3.73Å; E290-K293 PolarHBondContact OE2-NZ 2.79Å; I291-K293 VanDerWaalsContact C-N 3.34Å; I291-K293 PolarHBondContact O-N 3.14Å; K293-N297 WeakPolarHBondContact O-CB 3.46Å; K293-N297 VanDerWaalsContact O-CG 3.24Å; K293-N297 PolarHBondContact O-N 2.82Å; K293-N297 PolarHBondContact O-ND2 3.32Å; K293-N297 VanDerWaalsContact O-ND2 3.13Å
294	T	93.9	Very high	94.5	Very high	59 Å²	59	68.5 Å²	68.5	36%	0.362	33%	0.33	S	S	.	.	H	α-helix	trans	-63.4	-45.3	175	-63.2	0	0	0	0	111.4	W111 E290 I291 N297 L298	W111-T294 HydrophobicContact CH2-CG2 4.47Å; W111-T294 HydrophobicContact CZ2-CG2 3.56Å; W111-T294 PolarHBondContact NE1-OG1 2.99Å; E290-T294 PolarHBondContact O-N 3.28Å; E290-T294 PolarHBondContact O-OG1 3.31Å; I291-T294 PolarHBondContact O-N 3.26Å; T294-N297 PolarHBondContact O-N 3.17Å; T294-L298 WeakPolarHBondContact O-CB 3.07Å; T294-L298 PolarHBondContact O-N 3.34Å
295	Y	94.2	Very high	94.4	Very high	22 Å²	22	68.7 Å²	68.7	9%	0.086	33%	0.332	C	S	.	.	H	α-helix	trans	-60	-49.7	177.5	178.9	-96	0	0	0	112.2	I139 A263 E267 V270 V271 I291 R292 N297 L298 V299	I139-Y295 WeakPolarHBondContact CD1-OH 3.43Å; A263-Y295 WeakPolarHBondContact O-CE1 3.41Å; A263-Y295 PolarHBondContact O-OH 2.83Å; E267-Y295 HydrophobicContact CB-CD1 4.39Å; E267-Y295 HydrophobicContact CB-CE1 3.93Å; E267-Y295 HydrophobicContact CG-CD1 3.85Å; E267-Y295 HydrophobicContact CG-CE1 3.91Å; V270-Y295 HydrophobicContact CB-CE2 4.21Å; V270-Y295 HydrophobicContact CG1-CD2 3.79Å; V270-Y295 HydrophobicContact CG1-CE2 3.43Å; V270-Y295 VanDerWaalsContact CG1-CE2 3.43Å; V271-Y295 HydrophobicContact CG2-CD1 4.27Å; V271-Y295 HydrophobicContact CG2-CG 4.32Å; I291-Y295 WeakPolarHBondContact O-CB 3.39Å; I291-Y295 PolarHBondContact O-N 3.45Å; R292-Y295 PolarHBondContact O-N 2.76Å; Y295-N297 VanDerWaalsContact C-N 3.3Å; Y295-N297 PolarHBondContact O-N 3.4Å; Y295-L298 WeakPolarHBondContact O-CB 3.33Å; Y295-L298 PolarHBondContact O-N 3.3Å; Y295-L298 VanDerWaalsContact O-N 3.09Å; Y295-V299 HydrophobicContact CD1-CG2 4.06Å; Y295-V299 HydrophobicContact CD2-CG2 4.33Å; Y295-V299 HydrophobicContact CE1-CG2 3.57Å; Y295-V299 HydrophobicContact CE2-CG2 3.85Å; Y295-V299 HydrophobicContact CG-CG2 4.43Å; Y295-V299 VanDerWaalsContact CZ-CG2 3.47Å; Y295-V299 WeakPolarHBondContact O-CG2 3.18Å; Y295-V299 PolarHBondContact O-N 3.24Å
296	K	96.3	Very high	94.2	Very high	97 Å²	97	64.8 Å²	64.8	42%	0.422	30%	0.303	S	S	.	.	H	α-helix	trans	-53.4	-47	174.7	-81.3	-176.5	179.9	176.1	0	112.5	E267 R292 L298 K300	E267-K296 WeakPolarHBondContact OE1-CE 3.44Å; E267-K296 IonicContact OE1-NZ 2.75Å; E267-K296 PolarHBondContact OE1-NZ 3.15Å; E267-K296 WeakPolarHBondContact OE2-CE 3.47Å; E267-K296 VanDerWaalsContact OE2-CG 3.28Å; E267-K296 WeakPolarHBondContact OE2-CG 3.47Å; E267-K296 IonicContact OE2-NZ 3.18Å; R292-K296 HydrophobicContact CG-CD 4.35Å; R292-K296 HydrophobicContact CG-CG 4.47Å; R292-K296 WeakPolarHBondContact O-CB 3.49Å; R292-K296 WeakPolarHBondContact O-CG 3.46Å; R292-K296 PolarHBondContact O-N 3.27Å; K296-L298 VanDerWaalsContact C-N 3.31Å; K296-L298 PolarHBondContact O-N 3.11Å; K296-K300 WeakPolarHBondContact O-CB 3.34Å; K296-K300 PolarHBondContact O-N 2.62Å
297	N	95.2	Very high	94	Very high	85 Å²	85	68.2 Å²	68.2	46%	0.455	32%	0.317	S	S	.	.	H	α-helix	trans	-65.5	-37.8	-179.9	-74.6	-28.5	0	0	0	111.7	K293 T294 Y295 R301	K293-N297 WeakPolarHBondContact O-CB 3.46Å; K293-N297 VanDerWaalsContact O-CG 3.24Å; K293-N297 PolarHBondContact O-N 2.82Å; K293-N297 PolarHBondContact O-ND2 3.32Å; K293-N297 VanDerWaalsContact O-ND2 3.13Å; T294-N297 PolarHBondContact O-N 3.17Å; Y295-N297 VanDerWaalsContact C-N 3.3Å; Y295-N297 PolarHBondContact O-N 3.4Å; N297-R301 VanDerWaalsContact O-CB 3.26Å; N297-R301 WeakPolarHBondContact O-CB 3.39Å; N297-R301 PolarHBondContact O-N 3.1Å
298	L	91.5	Very high	93.7	Very high	80 Å²	80	67.8 Å²	67.8	42%	0.419	32%	0.315	S	S	.	.	H	α-helix	trans	-65.1	-52.3	175.6	-179.5	64.5	0	0	0	111.3	T294 Y295 K296 K300 R301 K302	T294-L298 WeakPolarHBondContact O-CB 3.07Å; T294-L298 PolarHBondContact O-N 3.34Å; Y295-L298 WeakPolarHBondContact O-CB 3.33Å; Y295-L298 PolarHBondContact O-N 3.3Å; Y295-L298 VanDerWaalsContact O-N 3.09Å; K296-L298 VanDerWaalsContact C-N 3.31Å; K296-L298 PolarHBondContact O-N 3.11Å; L298-K300 PolarHBondContact O-N 3.24Å; L298-R301 PolarHBondContact O-N 3.4Å; L298-K302 HydrophobicContact CD1-CG 4.33Å; L298-K302 PolarHBondContact O-N 3.48Å
299	V	93.5	Very high	93.2	Very high	17 Å²	17	64.4 Å²	64.4	10%	0.103	30%	0.301	C	S	.	.	H	α-helix	trans	-57.5	-49.9	178.1	173.3	0	0	0	0	110.3	A263 Y295 R301 K302 C303	A263-V299 HydrophobicContact CB-CG1 3.9Å; A263-V299 HydrophobicContact CB-CG2 4Å; Y295-V299 HydrophobicContact CD1-CG2 4.06Å; Y295-V299 HydrophobicContact CD2-CG2 4.33Å; Y295-V299 HydrophobicContact CE1-CG2 3.57Å; Y295-V299 HydrophobicContact CE2-CG2 3.85Å; Y295-V299 HydrophobicContact CG-CG2 4.43Å; Y295-V299 VanDerWaalsContact CZ-CG2 3.47Å; Y295-V299 WeakPolarHBondContact O-CG2 3.18Å; Y295-V299 PolarHBondContact O-N 3.24Å; V299-R301 VanDerWaalsContact C-N 3.32Å; V299-R301 PolarHBondContact O-N 2.04Å; V299-K302 PolarHBondContact O-N 3.28Å; V299-C303 VanDerWaalsContact O-CB 3.25Å; V299-C303 WeakPolarHBondContact O-CB 3.24Å; V299-C303 PolarHBondContact O-N 3.37Å; V299-C303 PolarHBondContact O-SG 2.93Å
300	K	95.2	Very high	92.5	Very high	154 Å²	154	61.2 Å²	61.2	67%	0.67	29%	0.294	S	S	*	.	H	α-helix	trans	-56.9	-44.1	177.7	-177.7	178.7	179.1	-179.8	0	112.2	K296 L298 K304	K296-K300 WeakPolarHBondContact O-CB 3.34Å; K296-K300 PolarHBondContact O-N 2.62Å; L298-K300 PolarHBondContact O-N 3.24Å; K300-K304 VanDerWaalsContact O-CB 3.22Å; K300-K304 WeakPolarHBondContact O-CB 3.04Å; K300-K304 PolarHBondContact O-N 3.46Å
301	R	92	Very high	92	Very high	180 Å²	180	64.6 Å²	64.6	68%	0.679	31%	0.308	S	S	*	.	H	α-helix	trans	-65.7	-49.3	179.8	-171.1	-171	-51.7	168	4.5	111.5	N297 L298 V299 K304 A305	N297-R301 VanDerWaalsContact O-CB 3.26Å; N297-R301 WeakPolarHBondContact O-CB 3.39Å; N297-R301 PolarHBondContact O-N 3.1Å; L298-R301 PolarHBondContact O-N 3.4Å; V299-R301 VanDerWaalsContact C-N 3.32Å; V299-R301 PolarHBondContact O-N 2.04Å; R301-K304 PolarHBondContact O-N 2.96Å; R301-A305 WeakPolarHBondContact O-CB 3.47Å; R301-A305 PolarHBondContact O-N 3.07Å
302	K	90.7	Very high	91.2	Very high	49 Å²	49	68.3 Å²	68.3	21%	0.213	33%	0.325	C	S	.	.	H	α-helix	trans	-63.2	-45	179.4	-75.5	-156.9	172.9	-133.6	0	111.8	S156 D163 L298 V299 K304 A305 M306	S156-K302 PolarHBondContact O-NZ 2.96Å; D163-K302 IonicContact OD1-NZ 2.68Å; L298-K302 HydrophobicContact CD1-CG 4.33Å; L298-K302 PolarHBondContact O-N 3.48Å; V299-K302 PolarHBondContact O-N 3.28Å; K302-K304 PolarHBondContact O-N 3.09Å; K302-A305 WeakPolarHBondContact O-CB 3.46Å; K302-A305 PolarHBondContact O-N 3Å; K302-M306 WeakPolarHBondContact O-CG 3.4Å; K302-M306 PolarHBondContact O-N 3.06Å
303	C	93.8	Very high	90.3	Very high	28 Å²	28	67.6 Å²	67.6	19%	0.189	33%	0.325	C	S	.	.	H	α-helix	trans	-65.4	-40.4	178.8	-69.7	0	0	0	0	112.8	C260 V299 A305 M306 E307	C260-C303 WeakPolarHBondContact CA-SG 3.48Å; C260-C303 HydrophobicContact CB-CB 3.92Å; C260-C303 WeakPolarHBondContact CB-SG 3.36Å; C260-C303 WeakPolarHBondContact SG-CA 3.45Å; C260-C303 WeakPolarHBondContact SG-CB 3.43Å; C260-C303 CovalentContact SG-SG 2.03Å; C260-C303 PolarHBondContact SG-SG 2.73Å; V299-C303 VanDerWaalsContact O-CB 3.25Å; V299-C303 WeakPolarHBondContact O-CB 3.24Å; V299-C303 PolarHBondContact O-N 3.37Å; V299-C303 PolarHBondContact O-SG 2.93Å; C303-A305 VanDerWaalsContact C-N 3.35Å; C303-M306 PolarHBondContact O-N 3.12Å; C303-E307 PolarHBondContact O-N 3.4Å
304	K	93.8	Very high	89.1	Confident	105 Å²	105	65.9 Å²	65.9	46%	0.457	33%	0.325	S	S	.	.	H	α-helix	trans	-62.8	-41.4	172.3	177.1	156.1	174.2	43.8	0	112	K300 R301 K302 M306 E307 D308	K300-K304 VanDerWaalsContact O-CB 3.22Å; K300-K304 WeakPolarHBondContact O-CB 3.04Å; K300-K304 PolarHBondContact O-N 3.46Å; R301-K304 PolarHBondContact O-N 2.96Å; K302-K304 PolarHBondContact O-N 3.09Å; K304-M306 PolarHBondContact O-N 3.1Å; K304-E307 PolarHBondContact O-N 2.93Å; K304-D308 WeakPolarHBondContact CG-OD2 3.42Å; K304-D308 VanDerWaalsContact NZ-CG 3.27Å; K304-D308 IonicContact NZ-OD1 3.45Å; K304-D308 PolarHBondContact NZ-OD1 3.15Å; K304-D308 IonicContact NZ-OD2 2.74Å; K304-D308 PolarHBondContact NZ-OD2 2.04Å; K304-D308 WeakPolarHBondContact O-CB 3.15Å; K304-D308 VanDerWaalsContact O-CG 3.24Å; K304-D308 PolarHBondContact O-N 3.32Å
305	A	90.1	Very high	87.7	Confident	14 Å²	14	68.5 Å²	68.5	12%	0.116	34%	0.341	C	S	.	.	H	α-helix	trans	-60.6	-44.6	175.5	0	0	0	0	0	111.5	T160 R301 K302 C303 E307 D308 D309	T160-A305 HydrophobicContact CG2-CB 4.05Å; R301-A305 WeakPolarHBondContact O-CB 3.47Å; R301-A305 PolarHBondContact O-N 3.07Å; K302-A305 WeakPolarHBondContact O-CB 3.46Å; K302-A305 PolarHBondContact O-N 3Å; C303-A305 VanDerWaalsContact C-N 3.35Å; A305-E307 VanDerWaalsContact C-N 3.32Å; A305-E307 PolarHBondContact O-N 3.05Å; A305-D308 PolarHBondContact O-N 2.9Å; A305-D309 WeakPolarHBondContact O-CB 3.15Å; A305-D309 PolarHBondContact O-N 3.16Å
306	M	89.6	Confident	85.9	Confident	14 Å²	14	70.1 Å²	70.1	7%	0.069	35%	0.354	C	S	.	.	H	α-helix	trans	-60.6	-39.2	175.9	-69.5	-179.5	-162.6	0	0	113.3	L158 T160 R256 K302 C303 K304 A310	L158-M306 HydrophobicContact CB-CE 3.68Å; L158-M306 HydrophobicContact CB-SD 4.44Å; L158-M306 HydrophobicContact CD1-CE 4.45Å; L158-M306 HydrophobicContact CD1-SD 4.35Å; T160-M306 HydrophobicContact CG2-CE 3.99Å; T160-M306 HydrophobicContact CG2-CG 3.64Å; R256-M306 HydrophobicContact CB-CB 4.42Å; R256-M306 HydrophobicContact CB-SD 4.01Å; R256-M306 HydrophobicContact CG-CG 4.48Å; R256-M306 HydrophobicContact CG-SD 4.08Å; R256-M306 PolarHBondContact NH1-O 3.23Å; K302-M306 WeakPolarHBondContact O-CG 3.4Å; K302-M306 PolarHBondContact O-N 3.06Å; C303-M306 PolarHBondContact O-N 3.12Å; K304-M306 PolarHBondContact O-N 3.1Å; M306-A310 PolarHBondContact O-N 3.42Å; M306-A310 VanDerWaalsContact O-N 3.13Å
307	E	90	Very high	83.8	Confident	99 Å²	99	66.7 Å²	66.7	46%	0.463	34%	0.34	S	S	.	.	H	α-helix	trans	-67	-45.9	175.9	-171.7	-169	171.9	0	0	111.5	C303 K304 A305 D309 A310 K311	C303-E307 PolarHBondContact O-N 3.4Å; K304-E307 PolarHBondContact O-N 2.93Å; A305-E307 VanDerWaalsContact C-N 3.32Å; A305-E307 PolarHBondContact O-N 3.05Å; E307-D309 VanDerWaalsContact C-N 3.3Å; E307-D309 PolarHBondContact O-N 2.97Å; E307-A310 PolarHBondContact O-N 2.85Å; E307-K311 VanDerWaalsContact CD-NZ 3.34Å; E307-K311 HydrophobicContact CG-CD 4.48Å; E307-K311 WeakPolarHBondContact O-CG 3.46Å; E307-K311 PolarHBondContact O-N 2.95Å; E307-K311 VanDerWaalsContact OE1-CE 3.24Å; E307-K311 WeakPolarHBondContact OE1-CE 3.32Å; E307-K311 IonicContact OE1-NZ 3.91Å; E307-K311 PolarHBondContact OE1-NZ 3.49Å
308	D	88.1	Confident	81.6	Confident	46 Å²	46	71.7 Å²	71.7	25%	0.246	36%	0.361	C	S	.	.	H	α-helix	trans	-65.4	-34.9	179.2	-69.2	-21.7	0	0	0	111.4	K304 A305 K311 Q312	K304-D308 WeakPolarHBondContact CG-OD2 3.42Å; K304-D308 VanDerWaalsContact NZ-CG 3.27Å; K304-D308 IonicContact NZ-OD1 3.45Å; K304-D308 PolarHBondContact NZ-OD1 3.15Å; K304-D308 IonicContact NZ-OD2 2.74Å; K304-D308 PolarHBondContact NZ-OD2 2.04Å; K304-D308 WeakPolarHBondContact O-CB 3.15Å; K304-D308 VanDerWaalsContact O-CG 3.24Å; K304-D308 PolarHBondContact O-N 3.32Å; A305-D308 PolarHBondContact O-N 2.9Å; D308-K311 PolarHBondContact O-N 3.23Å; D308-Q312 WeakPolarHBondContact O-CB 3.47Å; D308-Q312 VanDerWaalsContact O-CG 3.3Å; D308-Q312 WeakPolarHBondContact O-CG 3.44Å; D308-Q312 PolarHBondContact O-N 3.19Å; D308-Q312 PolarHBondContact O-NE2 3.15Å; D308-Q312 VanDerWaalsContact O-NE2 3.16Å
309	D	85.8	Confident	79.3	Confident	7 Å²	7	71.3 Å²	71.3	4%	0.037	36%	0.358	C	S	.	.	H	α-helix	trans	-63.8	-47.4	173.3	-69.3	-7.8	0	0	0	111.5	T160 K161 A305 E307 K311 Q312 C313	T160-D309 WeakPolarHBondContact CA-OD2 3.39Å; K161-D309 WeakPolarHBondContact CB-OD1 3.27Å; K161-D309 PolarHBondContact N-OD2 3.33Å; A305-D309 WeakPolarHBondContact O-CB 3.15Å; A305-D309 PolarHBondContact O-N 3.16Å; E307-D309 VanDerWaalsContact C-N 3.3Å; E307-D309 PolarHBondContact O-N 2.97Å; D309-K311 VanDerWaalsContact C-N 3.31Å; D309-K311 PolarHBondContact O-N 3.43Å; D309-Q312 PolarHBondContact O-N 2.89Å; D309-C313 PolarHBondContact O-N 3.27Å
310	A	83.4	Confident	76.6	Confident	48 Å²	48	79.9 Å²	79.9	40%	0.397	42%	0.415	S	S	.	.	H	α-helix	trans	-60.2	-42.9	178.4	0	0	0	0	0	110.9	M306 E307 S314	M306-A310 PolarHBondContact O-N 3.42Å; M306-A310 VanDerWaalsContact O-N 3.13Å; E307-A310 PolarHBondContact O-N 2.85Å; A310-S314 VanDerWaalsContact O-CB 3.31Å; A310-S314 WeakPolarHBondContact O-CB 3.41Å; A310-S314 PolarHBondContact O-N 3.47Å
311	K	84.3	Confident	75.6	Confident	118 Å²	118	76.2 Å²	76.2	51%	0.513	40%	0.402	S	S	.	.	H	α-helix	trans	-65.4	-39.5	176	-71.2	172.4	-176	168.1	0	113.1	E307 D308 D309 S314	E307-K311 VanDerWaalsContact CD-NZ 3.34Å; E307-K311 HydrophobicContact CG-CD 4.48Å; E307-K311 WeakPolarHBondContact O-CG 3.46Å; E307-K311 PolarHBondContact O-N 2.95Å; E307-K311 VanDerWaalsContact OE1-CE 3.24Å; E307-K311 WeakPolarHBondContact OE1-CE 3.32Å; E307-K311 IonicContact OE1-NZ 3.91Å; E307-K311 PolarHBondContact OE1-NZ 3.49Å; D308-K311 PolarHBondContact O-N 3.23Å; D309-K311 VanDerWaalsContact C-N 3.31Å; D309-K311 PolarHBondContact O-N 3.43Å; K311-S314 PolarHBondContact O-OG 3.09Å
312	Q	78.5	Confident	74.8	Confident	79 Å²	79	70.7 Å²	70.7	37%	0.369	39%	0.387	S	S	.	.	H	α-helix	trans	-68.3	-42.3	178.2	-77.7	167.9	62.1	0	0	111.4	F230 D308 D309 T315	F230-Q312 VanDerWaalsContact CE1-OE1 3.25Å; D308-Q312 WeakPolarHBondContact O-CB 3.47Å; D308-Q312 VanDerWaalsContact O-CG 3.3Å; D308-Q312 WeakPolarHBondContact O-CG 3.44Å; D308-Q312 PolarHBondContact O-N 3.19Å; D308-Q312 PolarHBondContact O-NE2 3.15Å; D308-Q312 VanDerWaalsContact O-NE2 3.16Å; D309-Q312 PolarHBondContact O-N 2.89Å; Q312-T315 PolarHBondContact O-OG1 3.4Å
313	C	78.8	Confident	73.9	Confident	15 Å²	15	71.9 Å²	71.9	10%	0.101	40%	0.397	C	S	.	.	H	α-helix	trans	-82.6	-10.1	179.8	-59.1	0	0	0	0	113.7	C234 D309 T315 V316 L317	C234-C313 WeakPolarHBondContact CA-SG 3.36Å; C234-C313 HydrophobicContact CB-CB 3.76Å; C234-C313 WeakPolarHBondContact CB-SG 3.49Å; C234-C313 WeakPolarHBondContact SG-CA 3.45Å; C234-C313 WeakPolarHBondContact SG-CB 3.33Å; C234-C313 CovalentContact SG-SG 2.05Å; C234-C313 PolarHBondContact SG-SG 3.27Å; D309-C313 PolarHBondContact O-N 3.27Å; C313-T315 PolarHBondContact O-N 3.2Å; C313-T315 VanDerWaalsContact O-N 3.15Å; C313-V316 PolarHBondContact O-N 2.78Å; C313-L317 HydrophobicContact CB-CD1 3.71Å; C313-L317 HydrophobicContact CB-CG 4.31Å; C313-L317 VanDerWaalsContact O-CB 3.31Å; C313-L317 WeakPolarHBondContact O-CB 3.34Å; C313-L317 WeakPolarHBondContact O-CG 3.24Å; C313-L317 PolarHBondContact O-N 3.34Å
314	S	72.4	Confident	72.7	Confident	67 Å²	67	74.5 Å²	74.5	47%	0.469	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-19.2	-178.2	71.9	0	0	0	0	114.1	A310 K311 L317	A310-S314 VanDerWaalsContact O-CB 3.31Å; A310-S314 WeakPolarHBondContact O-CB 3.41Å; A310-S314 PolarHBondContact O-N 3.47Å; K311-S314 PolarHBondContact O-OG 3.09Å; S314-L317 CarbonylContact C-O 3.41Å
315	T	63.7	Low	71.4	Confident	114 Å²	114	72.6 Å²	72.6	70%	0.699	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-26	173.8	52.5	0	0	0	0	112.5	Q312 C313	Q312-T315 PolarHBondContact O-OG1 3.4Å; C313-T315 PolarHBondContact O-N 3.2Å; C313-T315 VanDerWaalsContact O-N 3.15Å
316	V	58.4	Low	70.1	Confident	56 Å²	56	76.5 Å²	76.5	34%	0.339	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-43.9	-179.6	-171.9	0	0	0	0	110.3	C234 N235 V238 C313 Q318	C234-V316 HydrophobicContact CB-CB 4.37Å; C234-V316 HydrophobicContact CB-CG2 4.16Å; N235-V316 WeakPolarHBondContact OD1-CG1 3.43Å; V238-V316 HydrophobicContact CG2-CB 4.36Å; V238-V316 HydrophobicContact CG2-CG1 3.74Å; C313-V316 PolarHBondContact O-N 2.78Å; V316-Q318 PolarHBondContact O-N 3.07Å; V316-Q318 VanDerWaalsContact O-N 3.09Å
317	L	50.9	Low	68.8	Low	25 Å²	25	81 Å²	81	13%	0.131	45%	0.451	C	S	.	.	S	Bend	trans	-74.4	89	168.1	-67	165.6	0	0	0	106.3	V238 C313 S314 L319	V238-L317 HydrophobicContact CB-CD2 3.98Å; V238-L317 HydrophobicContact CG2-CB 4.42Å; V238-L317 HydrophobicContact CG2-CD2 3.32Å; V238-L317 HydrophobicContact CG2-CG 3.69Å; C313-L317 HydrophobicContact CB-CD1 3.71Å; C313-L317 HydrophobicContact CB-CG 4.31Å; C313-L317 VanDerWaalsContact O-CB 3.31Å; C313-L317 WeakPolarHBondContact O-CB 3.34Å; C313-L317 WeakPolarHBondContact O-CG 3.24Å; C313-L317 PolarHBondContact O-N 3.34Å; S314-L317 CarbonylContact C-O 3.41Å; L317-L319 HydrophobicContact CB-CD1 3.66Å; L317-L319 HydrophobicContact CB-CG 3.73Å; L317-L319 HydrophobicContact CD1-CD1 4.01Å; L317-L319 HydrophobicContact CG-CD1 4.34Å; L317-L319 PolarHBondContact O-N 2.93Å
318	Q	49.3	Very low	67.1	Low	191 Å²	191	79.6 Å²	79.6	89%	0.893	45%	0.45	S	S	*	.			trans	-63.4	63.7	166.3	-68.8	-178.3	-26.4	0	0	109.8	V316	V316-Q318 PolarHBondContact O-N 3.07Å; V316-Q318 VanDerWaalsContact O-N 3.09Å
319	L	43.4	Very low	65.4	Low	71 Å²	71	82.4 Å²	82.4	37%	0.372	47%	0.467	S	S	.	.			trans	-76.7	127.9	176.6	-68.9	164.7	0	0	0	106.5	L253 L317	L253-L319 HydrophobicContact CD1-CD1 3.94Å; L253-L319 HydrophobicContact CD1-CD2 3.52Å; L253-L319 HydrophobicContact CD1-CG 4.34Å; L253-L319 HydrophobicContact CD2-CD1 4.17Å; L317-L319 HydrophobicContact CB-CD1 3.66Å; L317-L319 HydrophobicContact CB-CG 3.73Å; L317-L319 HydrophobicContact CD1-CD1 4.01Å; L317-L319 HydrophobicContact CG-CD1 4.34Å; L317-L319 PolarHBondContact O-N 2.93Å
320	P	35.8	Very low	63.5	Low	198 Å²	198	89.3 Å²	89.3	100%	1.286	51%	0.506	S	S	*	.			trans	-59.4	0	176.8	24.9	-32.9	0	0	0	112.7

Retrieved 320 of 320 residues in 219.6 ms (Link to these results)

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