A0A3Q0KS87_SCHMA Loading...

EH domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KS87, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 634 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.6	Very low	35.7	Very low	184 Å²	184	105.5 Å²	105.5	91%	0.906	52%	0.515	S	S	*	.				0	-101.4	0	-61.6	93.7	178.9	0	0	112.3	S3 I4 T5	M1-S3 PolarHBondContact O-N 2.67Å; M1-I4 WeakPolarHBondContact O-CB 3.46Å; M1-I4 PolarHBondContact O-N 2.8Å; M1-T5 PolarHBondContact O-N 2.77Å
2	R	34.3	Very low	36	Very low	210 Å²	210	98 Å²	98	79%	0.792	48%	0.479	S	S	*	.	H	α-helix	trans	-46.6	-21.9	-165	-72.5	-177.5	176.9	169.5	-0.7	119.3	R6	R2-R6 WeakPolarHBondContact O-CB 3.4Å; R2-R6 VanDerWaalsContact O-CD 3.31Å; R2-R6 WeakPolarHBondContact O-CD 3.44Å; R2-R6 WeakPolarHBondContact O-CG 3.17Å; R2-R6 PolarHBondContact O-N 3.5Å
3	S	35.3	Very low	36.1	Very low	89 Å²	89	100.9 Å²	100.9	62%	0.622	48%	0.481	S	S	*	.	H	α-helix	trans	-84.3	-30.3	173.1	-161.4	0	0	0	0	113.5	M1 T7	M1-S3 PolarHBondContact O-N 2.67Å; S3-T7 WeakPolarHBondContact O-CB 3.44Å; S3-T7 PolarHBondContact O-N 3.45Å; S3-T7 PolarHBondContact O-OG1 2.98Å
4	I	36.1	Very low	36.3	Very low	109 Å²	109	101.9 Å²	101.9	56%	0.559	48%	0.482	S	S	*	.	H	α-helix	trans	-75.4	-48.7	178	-59.6	174.6	0	0	0	109.5	M1 R6 T7 A8	M1-I4 WeakPolarHBondContact O-CB 3.46Å; M1-I4 PolarHBondContact O-N 2.8Å; I4-R6 VanDerWaalsContact C-N 3.26Å; I4-R6 PolarHBondContact O-N 3.24Å; I4-T7 CarbonylContact O-C 3.59Å; I4-T7 WeakPolarHBondContact O-CA 3.23Å; I4-T7 PolarHBondContact O-N 3.49Å; I4-A8 PolarHBondContact O-N 3.16Å
5	T	37.5	Very low	36.2	Very low	45 Å²	45	98.8 Å²	98.8	28%	0.276	47%	0.465	S	S	.	.	H	α-helix	trans	-59.4	-36.9	172.2	46.6	0	0	0	0	111.7	M1 T7 A9	M1-T5 PolarHBondContact O-N 2.77Å; T5-T7 VanDerWaalsContact C-N 3.3Å; T5-T7 PolarHBondContact O-N 2.55Å; T5-A9 WeakPolarHBondContact O-CA 3.46Å; T5-A9 WeakPolarHBondContact O-CB 3.26Å; T5-A9 PolarHBondContact O-N 2.81Å
6	R	35.5	Very low	36	Very low	185 Å²	185	93.4 Å²	93.4	70%	0.698	44%	0.442	S	S	*	.	H	α-helix	trans	-68.4	-19.8	170.7	-79.2	177.4	179.1	177.8	-1.7	115.4	R2 I4 K10	R2-R6 WeakPolarHBondContact O-CB 3.4Å; R2-R6 VanDerWaalsContact O-CD 3.31Å; R2-R6 WeakPolarHBondContact O-CD 3.44Å; R2-R6 WeakPolarHBondContact O-CG 3.17Å; R2-R6 PolarHBondContact O-N 3.5Å; I4-R6 VanDerWaalsContact C-N 3.26Å; I4-R6 PolarHBondContact O-N 3.24Å; R6-K10 VanDerWaalsContact O-CB 3.32Å; R6-K10 WeakPolarHBondContact O-CB 3.49Å; R6-K10 WeakPolarHBondContact O-CG 3.39Å; R6-K10 PolarHBondContact O-N 3.16Å
7	T	36.4	Very low	35.7	Very low	77 Å²	77	91.1 Å²	91.1	47%	0.472	44%	0.442	S	S	.	.	H	α-helix	trans	-91.1	-45.6	178.2	-57.7	0	0	0	0	110.1	S3 I4 T5 K10 E11	S3-T7 WeakPolarHBondContact O-CB 3.44Å; S3-T7 PolarHBondContact O-N 3.45Å; S3-T7 PolarHBondContact O-OG1 2.98Å; I4-T7 CarbonylContact O-C 3.59Å; I4-T7 WeakPolarHBondContact O-CA 3.23Å; I4-T7 PolarHBondContact O-N 3.49Å; T5-T7 VanDerWaalsContact C-N 3.3Å; T5-T7 PolarHBondContact O-N 2.55Å; T7-K10 WeakPolarHBondContact O-CA 3.39Å; T7-K10 WeakPolarHBondContact O-CB 3.36Å; T7-K10 PolarHBondContact O-N 3.4Å; T7-E11 PolarHBondContact O-N 3.26Å
8	A	33.3	Very low	35.6	Very low	16 Å²	16	93.4 Å²	93.4	13%	0.132	45%	0.449	C	S	.	.	H	α-helix	trans	-53.5	-52.6	165.6	0	0	0	0	0	110.2	I4 K10 E11 I12	I4-A8 PolarHBondContact O-N 3.16Å; A8-K10 PolarHBondContact O-N 2.89Å; A8-E11 PolarHBondContact O-N 2.91Å; A8-I12 HydrophobicContact CB-CD1 4.34Å; A8-I12 VanDerWaalsContact O-CB 3.24Å; A8-I12 WeakPolarHBondContact O-CB 3.38Å; A8-I12 WeakPolarHBondContact O-CD1 3.26Å; A8-I12 WeakPolarHBondContact O-CG1 3.35Å; A8-I12 PolarHBondContact O-N 3.48Å
9	A	33.7	Very low	35.5	Very low	30 Å²	30	91.4 Å²	91.4	25%	0.248	44%	0.443	C	S	.	.	H	α-helix	trans	-63.8	-21.8	174.4	0	0	0	0	0	113.8	T5 R13	T5-A9 WeakPolarHBondContact O-CA 3.46Å; T5-A9 WeakPolarHBondContact O-CB 3.26Å; T5-A9 PolarHBondContact O-N 2.81Å; A9-R13 WeakPolarHBondContact O-CB 3.46Å; A9-R13 VanDerWaalsContact O-CD 3.23Å; A9-R13 WeakPolarHBondContact O-CD 3.45Å; A9-R13 WeakPolarHBondContact O-CG 3.29Å; A9-R13 PolarHBondContact O-N 3.19Å
10	K	36.1	Very low	35.2	Very low	147 Å²	147	88.2 Å²	88.2	64%	0.639	43%	0.429	S	S	*	.	H	α-helix	trans	-77.1	-41.8	172	-100.7	-173.1	173.7	-173.6	0	112.5	R6 T7 A8 R13 K14	R6-K10 VanDerWaalsContact O-CB 3.32Å; R6-K10 WeakPolarHBondContact O-CB 3.49Å; R6-K10 WeakPolarHBondContact O-CG 3.39Å; R6-K10 PolarHBondContact O-N 3.16Å; T7-K10 WeakPolarHBondContact O-CA 3.39Å; T7-K10 WeakPolarHBondContact O-CB 3.36Å; T7-K10 PolarHBondContact O-N 3.4Å; A8-K10 PolarHBondContact O-N 2.89Å; K10-R13 CarbonylContact O-C 3.48Å; K10-R13 PolarHBondContact O-N 2.98Å; K10-K14 PolarHBondContact O-N 3.28Å
11	E	37.2	Very low	34.9	Very low	68 Å²	68	89 Å²	89	32%	0.318	43%	0.429	S	S	.	.	H	α-helix	trans	-73.1	-43	176	-62	-52.9	128.5	0	0	110.5	T7 A8 R13 K14 Y15	T7-E11 PolarHBondContact O-N 3.26Å; A8-E11 PolarHBondContact O-N 2.91Å; E11-R13 VanDerWaalsContact C-N 3.27Å; E11-R13 PolarHBondContact O-N 2.82Å; E11-K14 CarbonylContact O-C 3.58Å; E11-K14 WeakPolarHBondContact O-CA 3.35Å; E11-K14 VanDerWaalsContact O-CB 3.3Å; E11-K14 WeakPolarHBondContact O-CB 3.28Å; E11-K14 PolarHBondContact O-N 3.19Å; E11-K14 WeakPolarHBondContact OE1-CE 3.3Å; E11-K14 IonicContact OE1-NZ 2.76Å; E11-K14 PolarHBondContact OE1-NZ 3.43Å; E11-K14 WeakPolarHBondContact OE2-CD 3.5Å; E11-K14 VanDerWaalsContact OE2-CE 3.3Å; E11-K14 WeakPolarHBondContact OE2-CE 3.48Å; E11-K14 IonicContact OE2-NZ 3.36Å; E11-K14 PolarHBondContact OE2-NZ 2.97Å; E11-Y15 VanDerWaalsContact O-CD2 3.29Å; E11-Y15 WeakPolarHBondContact O-CD2 3.49Å; E11-Y15 PolarHBondContact O-N 3Å
12	I	39.3	Very low	34.6	Very low	16 Å²	16	83.3 Å²	83.3	8%	0.082	41%	0.41	C	S	.	.	H	α-helix	trans	-57.5	-39.3	168.1	-65.5	162.1	0	0	0	109.9	A8 K14 Y15 S16 V461 L462 F474	A8-I12 HydrophobicContact CB-CD1 4.34Å; A8-I12 VanDerWaalsContact O-CB 3.24Å; A8-I12 WeakPolarHBondContact O-CB 3.38Å; A8-I12 WeakPolarHBondContact O-CD1 3.26Å; A8-I12 WeakPolarHBondContact O-CG1 3.35Å; A8-I12 PolarHBondContact O-N 3.48Å; I12-K14 VanDerWaalsContact C-N 3.29Å; I12-K14 PolarHBondContact O-N 3.38Å; I12-Y15 CarbonylContact O-C 3.5Å; I12-Y15 WeakPolarHBondContact O-CA 3.49Å; I12-Y15 PolarHBondContact O-N 3.42Å; I12-S16 WeakPolarHBondContact O-CB 3.32Å; I12-S16 PolarHBondContact O-N 2.9Å; I12-V461 HydrophobicContact CD1-CG1 4.5Å; I12-V461 HydrophobicContact CG1-CG1 4.38Å; I12-L462 HydrophobicContact CD1-CD2 4.45Å; I12-F474 HydrophobicContact CD1-CD2 4.39Å; I12-F474 HydrophobicContact CD1-CE2 3.94Å
13	R	37.3	Very low	34.6	Very low	136 Å²	136	77.6 Å²	77.6	51%	0.513	40%	0.395	S	S	.	.	H	α-helix	trans	-67.3	-17.2	168.9	-77.1	166.6	-169.1	-175.3	3.1	114.4	A9 K10 E11 Y15 A17 E479	A9-R13 WeakPolarHBondContact O-CB 3.46Å; A9-R13 VanDerWaalsContact O-CD 3.23Å; A9-R13 WeakPolarHBondContact O-CD 3.45Å; A9-R13 WeakPolarHBondContact O-CG 3.29Å; A9-R13 PolarHBondContact O-N 3.19Å; K10-R13 CarbonylContact O-C 3.48Å; K10-R13 PolarHBondContact O-N 2.98Å; E11-R13 VanDerWaalsContact C-N 3.27Å; E11-R13 PolarHBondContact O-N 2.82Å; R13-Y15 VanDerWaalsContact C-N 3.33Å; R13-A17 WeakPolarHBondContact O-CA 3.49Å; R13-A17 WeakPolarHBondContact O-CB 3.39Å; R13-A17 PolarHBondContact O-N 3.47Å; R13-E479 IonicContact CZ-OE1 3.27Å; R13-E479 IonicContact NE-OE1 3.79Å; R13-E479 PolarHBondContact NE-OE1 2.95Å; R13-E479 IonicContact NH2-OE1 4Å; R13-E479 PolarHBondContact NH2-OE1 2.91Å; R13-E479 IonicContact NH2-OE2 3.02Å
14	K	38.5	Very low	34.4	Very low	114 Å²	114	78.9 Å²	78.9	50%	0.496	40%	0.399	S	S	.	.	H	α-helix	trans	-78.7	-16.9	164.8	-63.6	-176.5	-160.4	155.2	0	113.1	K10 E11 I12 K18	K10-K14 PolarHBondContact O-N 3.28Å; E11-K14 CarbonylContact O-C 3.58Å; E11-K14 WeakPolarHBondContact O-CA 3.35Å; E11-K14 VanDerWaalsContact O-CB 3.3Å; E11-K14 WeakPolarHBondContact O-CB 3.28Å; E11-K14 PolarHBondContact O-N 3.19Å; E11-K14 WeakPolarHBondContact OE1-CE 3.3Å; E11-K14 IonicContact OE1-NZ 2.76Å; E11-K14 PolarHBondContact OE1-NZ 3.43Å; E11-K14 WeakPolarHBondContact OE2-CD 3.5Å; E11-K14 VanDerWaalsContact OE2-CE 3.3Å; E11-K14 WeakPolarHBondContact OE2-CE 3.48Å; E11-K14 IonicContact OE2-NZ 3.36Å; E11-K14 PolarHBondContact OE2-NZ 2.97Å; I12-K14 VanDerWaalsContact C-N 3.29Å; I12-K14 PolarHBondContact O-N 3.38Å; K14-K18 VanDerWaalsContact O-CD 3.28Å; K14-K18 WeakPolarHBondContact O-CD 3.46Å; K14-K18 VanDerWaalsContact O-CG 3.22Å; K14-K18 WeakPolarHBondContact O-CG 3.37Å
15	Y	35.4	Very low	34.2	Very low	56 Å²	56	79.2 Å²	79.2	22%	0.22	40%	0.396	C	S	.	.	H	α-helix	trans	-93.5	-58.5	172.9	-74.5	-86.8	0	0	0	110.6	E11 I12 R13 K18 V19	E11-Y15 VanDerWaalsContact O-CD2 3.29Å; E11-Y15 WeakPolarHBondContact O-CD2 3.49Å; E11-Y15 PolarHBondContact O-N 3Å; I12-Y15 CarbonylContact O-C 3.5Å; I12-Y15 WeakPolarHBondContact O-CA 3.49Å; I12-Y15 PolarHBondContact O-N 3.42Å; R13-Y15 VanDerWaalsContact C-N 3.33Å; Y15-K18 WeakPolarHBondContact O-CA 3.4Å; Y15-K18 WeakPolarHBondContact O-CB 3.41Å; Y15-K18 PolarHBondContact O-N 3.26Å; Y15-V19 WeakPolarHBondContact O-CG2 3.27Å; Y15-V19 PolarHBondContact O-N 3.18Å
16	S	32.5	Very low	34.1	Very low	13 Å²	13	79.3 Å²	79.3	9%	0.091	40%	0.395	C	S	.	.	H	α-helix	trans	-56.7	-53.9	170.6	161.1	0	0	0	0	112.3	I12 K18 V19 T20 Y21	I12-S16 WeakPolarHBondContact O-CB 3.32Å; I12-S16 PolarHBondContact O-N 2.9Å; S16-K18 CarbonylContact O-C 3.56Å; S16-K18 PolarHBondContact O-N 2.87Å; S16-V19 CarbonylContact O-C 3.58Å; S16-V19 PolarHBondContact O-N 2.75Å; S16-T20 VanDerWaalsContact O-CA 3.28Å; S16-T20 WeakPolarHBondContact O-CA 3.18Å; S16-T20 WeakPolarHBondContact O-CB 3.39Å; S16-T20 PolarHBondContact O-N 2.82Å; S16-T20 PolarHBondContact O-OG1 3Å; S16-T20 VanDerWaalsContact O-OG1 3.12Å; S16-T20 PolarHBondContact OG-OG1 3.27Å; S16-Y21 PolarHBondContact O-N 3.07Å
17	A	31.9	Very low	33.7	Very low	54 Å²	54	81.5 Å²	81.5	45%	0.446	40%	0.404	S	S	.	.	H	α-helix	trans	-77.4	29.4	173	0	0	0	0	0	113.7	R13 Y21	R13-A17 WeakPolarHBondContact O-CA 3.49Å; R13-A17 WeakPolarHBondContact O-CB 3.39Å; R13-A17 PolarHBondContact O-N 3.47Å; A17-Y21 VanDerWaalsContact C-CB 3.42Å; A17-Y21 WeakPolarHBondContact O-CB 3.26Å
18	K	32.8	Very low	33.4	Very low	133 Å²	133	86.4 Å²	86.4	58%	0.578	42%	0.421	S	S	*	.	H	α-helix	trans	-117.5	-41.3	150.4	-76.5	-175.4	-179	-172.5	0	111.9	K14 Y15 S16 A22	K14-K18 VanDerWaalsContact O-CD 3.28Å; K14-K18 WeakPolarHBondContact O-CD 3.46Å; K14-K18 VanDerWaalsContact O-CG 3.22Å; K14-K18 WeakPolarHBondContact O-CG 3.37Å; Y15-K18 WeakPolarHBondContact O-CA 3.4Å; Y15-K18 WeakPolarHBondContact O-CB 3.41Å; Y15-K18 PolarHBondContact O-N 3.26Å; S16-K18 CarbonylContact O-C 3.56Å; S16-K18 PolarHBondContact O-N 2.87Å; K18-A22 WeakPolarHBondContact O-CB 3.32Å; K18-A22 PolarHBondContact O-N 3.33Å
19	V	33.6	Very low	33.1	Very low	54 Å²	54	89.3 Å²	89.3	33%	0.327	43%	0.433	S	S	.	.	H	α-helix	trans	-77.7	-61.5	178	-176.1	0	0	0	0	111.2	Y15 S16 Y21 A22 I23 D486	Y15-V19 WeakPolarHBondContact O-CG2 3.27Å; Y15-V19 PolarHBondContact O-N 3.18Å; S16-V19 CarbonylContact O-C 3.58Å; S16-V19 PolarHBondContact O-N 2.75Å; V19-Y21 PolarHBondContact O-N 3.21Å; V19-A22 CarbonylContact O-C 3.6Å; V19-A22 WeakPolarHBondContact O-CA 3.24Å; V19-A22 WeakPolarHBondContact O-CB 3.04Å; V19-A22 PolarHBondContact O-N 3.36Å; V19-I23 HydrophobicContact CG1-CD1 3.73Å; V19-I23 VanDerWaalsContact O-CG1 3.31Å; V19-I23 WeakPolarHBondContact O-CG1 3.46Å; V19-I23 PolarHBondContact O-N 3.45Å; V19-I23 VanDerWaalsContact O-N 3.12Å; V19-D486 HydrophobicContact CG1-CB 4.39Å; V19-D486 VanDerWaalsContact CG1-CG 3.47Å; V19-D486 WeakPolarHBondContact CG1-OD1 3.5Å; V19-D486 WeakPolarHBondContact CG1-OD2 3.36Å
20	T	30.7	Very low	33.1	Very low	28 Å²	28	91.8 Å²	91.8	17%	0.172	44%	0.44	C	S	.	.	G	3₁₀ helix	trans	-53.9	-36.8	167.5	-36.9	0	0	0	0	112.3	S16 A22 I23 T24	S16-T20 VanDerWaalsContact O-CA 3.28Å; S16-T20 WeakPolarHBondContact O-CA 3.18Å; S16-T20 WeakPolarHBondContact O-CB 3.39Å; S16-T20 PolarHBondContact O-N 2.82Å; S16-T20 PolarHBondContact O-OG1 3Å; S16-T20 VanDerWaalsContact O-OG1 3.12Å; S16-T20 PolarHBondContact OG-OG1 3.27Å; T20-A22 PolarHBondContact O-N 3Å; T20-I23 PolarHBondContact O-N 2.98Å; T20-T24 HydrophobicContact CG2-CG2 4.17Å; T20-T24 PolarHBondContact O-N 3.27Å; T20-T24 PolarHBondContact O-OG1 3.27Å; T20-T24 VanDerWaalsContact O-OG1 3.12Å
21	Y	29	Very low	33.1	Very low	106 Å²	106	90.6 Å²	90.6	42%	0.416	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-65.3	-24.7	173.9	-179	-89.2	0	0	0	113.4	S16 A17 V19 K25	S16-Y21 PolarHBondContact O-N 3.07Å; A17-Y21 VanDerWaalsContact C-CB 3.42Å; A17-Y21 WeakPolarHBondContact O-CB 3.26Å; V19-Y21 PolarHBondContact O-N 3.21Å; Y21-K25 HydrophobicContact CD2-CB 4.34Å; Y21-K25 HydrophobicContact CD2-CD 4.03Å; Y21-K25 HydrophobicContact CE2-CD 3.73Å; Y21-K25 VanDerWaalsContact O-CB 3.3Å; Y21-K25 WeakPolarHBondContact O-CB 3.26Å
22	A	31.3	Very low	32.9	Very low	63 Å²	63	91.8 Å²	91.8	52%	0.521	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-92	-3.1	172.6	0	0	0	0	0	113.8	K18 V19 T20	K18-A22 WeakPolarHBondContact O-CB 3.32Å; K18-A22 PolarHBondContact O-N 3.33Å; V19-A22 CarbonylContact O-C 3.6Å; V19-A22 WeakPolarHBondContact O-CA 3.24Å; V19-A22 WeakPolarHBondContact O-CB 3.04Å; V19-A22 PolarHBondContact O-N 3.36Å; T20-A22 PolarHBondContact O-N 3Å
23	I	33	Very low	32.7	Very low	91 Å²	91	94.4 Å²	94.4	47%	0.467	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113	-45	-176.7	-67.7	167.9	0	0	0	111.8	V19 T20	V19-I23 HydrophobicContact CG1-CD1 3.73Å; V19-I23 VanDerWaalsContact O-CG1 3.31Å; V19-I23 WeakPolarHBondContact O-CG1 3.46Å; V19-I23 PolarHBondContact O-N 3.45Å; V19-I23 VanDerWaalsContact O-N 3.12Å; T20-I23 PolarHBondContact O-N 2.98Å
24	T	31.2	Very low	32.7	Very low	115 Å²	115	91 Å²	91	71%	0.706	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	-7.2	-178.2	64.9	0	0	0	0	113.9	T20	T20-T24 HydrophobicContact CG2-CG2 4.17Å; T20-T24 PolarHBondContact O-N 3.27Å; T20-T24 PolarHBondContact O-OG1 3.27Å; T20-T24 VanDerWaalsContact O-OG1 3.12Å
25	K	31.7	Very low	32.6	Very low	117 Å²	117	90.2 Å²	90.2	51%	0.509	45%	0.447	S	S	.	.	S	Bend	trans	-110.6	142.3	165.1	-119	-171.4	177.3	-174.9	0	110.9	Y21	Y21-K25 HydrophobicContact CD2-CB 4.34Å; Y21-K25 HydrophobicContact CD2-CD 4.03Å; Y21-K25 HydrophobicContact CE2-CD 3.73Å; Y21-K25 VanDerWaalsContact O-CB 3.3Å; Y21-K25 WeakPolarHBondContact O-CB 3.26Å
26	N	34.9	Very low	32.7	Very low	47 Å²	47	93.4 Å²	93.4	25%	0.251	46%	0.463	S	S	.	.			trans	66.8	44	159.7	-59.9	15.2	0	0	0	117.5	E28 I29	N26-E28 PolarHBondContact O-N 2.67Å; N26-I29 HydrophobicContact CB-CB 3.89Å; N26-I29 WeakPolarHBondContact CB-O 3.41Å; N26-I29 PolarHBondContact ND2-O 2.97Å; N26-I29 PolarHBondContact O-N 3.02Å; N26-I29 VanDerWaalsContact O-N 3.1Å
27	R	28.8	Very low	32.8	Very low	231 Å²	231	96.3 Å²	96.3	87%	0.872	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	3.7	154.7	-86.1	-173.4	172.4	-171.1	-4.2	114.4
28	E	28.6	Very low	33	Very low	179 Å²	179	98.2 Å²	98.2	84%	0.836	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126	-6.8	172.2	-66.3	175.3	127	0	0	113.4	N26	N26-E28 PolarHBondContact O-N 2.67Å
29	I	26.9	Very low	33	Very low	77 Å²	77	94.8 Å²	94.8	40%	0.395	47%	0.472	S	S	.	.	S	Bend	trans	-145.9	56.4	-164.6	-39.4	174	0	0	0	112.7	N26 E33	N26-I29 HydrophobicContact CB-CB 3.89Å; N26-I29 WeakPolarHBondContact CB-O 3.41Å; N26-I29 PolarHBondContact ND2-O 2.97Å; N26-I29 PolarHBondContact O-N 3.02Å; N26-I29 VanDerWaalsContact O-N 3.1Å; I29-E33 HydrophobicContact CG2-CB 3.7Å; I29-E33 HydrophobicContact CG2-CG 4.07Å
30	H	34.6	Very low	33	Very low	83 Å²	83	97.4 Å²	97.4	38%	0.384	48%	0.484	S	S	.	.	S	Bend	trans	-158.3	14.2	157.7	-133.5	-83.6	0	0	0	116.9	E33 Y34 K37	H30-E33 IonicContact CD2-OE2 2.67Å; H30-E33 IonicContact NE2-OE2 3.9Å; H30-Y34 WeakPolarHBondContact O-CB 3.32Å; H30-K37 PolarHBondContact NE2-NZ 2.73Å; H30-K37 VanDerWaalsContact NE2-NZ 3.11Å
31	I	35.4	Very low	33.1	Very low	121 Å²	121	100.8 Å²	100.8	62%	0.621	50%	0.501	S	S	*	.	S	Bend	trans	-92.1	-60.8	154.5	-70.3	177.6	0	0	0	107.7	E33 Y34 I35	I31-E33 VanDerWaalsContact C-N 3.33Å; I31-E33 PolarHBondContact O-N 3.15Å; I31-Y34 CarbonylContact O-C 3.58Å; I31-Y34 WeakPolarHBondContact O-CA 3.36Å; I31-Y34 WeakPolarHBondContact O-CB 3.41Å; I31-Y34 PolarHBondContact O-N 2.88Å; I31-I35 HydrophobicContact CG2-CD1 3.86Å; I31-I35 WeakPolarHBondContact O-CG1 3.36Å; I31-I35 PolarHBondContact O-N 3.27Å
32	D	33.2	Very low	33.2	Very low	94 Å²	94	101.8 Å²	101.8	50%	0.503	51%	0.513	S	S	.	.	H	α-helix	trans	-62.4	-35.7	177.8	-66.6	-7.5	0	0	0	113.7	Y34 K36	D32-Y34 VanDerWaalsContact C-N 3.3Å; D32-K36 VanDerWaalsContact O-CB 3.25Å; D32-K36 WeakPolarHBondContact O-CB 3.4Å; D32-K36 WeakPolarHBondContact O-CD 3.41Å; D32-K36 WeakPolarHBondContact O-CG 3.19Å; D32-K36 PolarHBondContact O-N 3.43Å
33	E	35.8	Very low	33	Very low	71 Å²	71	102.8 Å²	102.8	33%	0.332	52%	0.516	S	S	.	.	H	α-helix	trans	-76.7	-18.9	175	-148.9	-155.8	-139.8	0	0	112.5	I29 H30 I31 K37	I29-E33 HydrophobicContact CG2-CB 3.7Å; I29-E33 HydrophobicContact CG2-CG 4.07Å; H30-E33 IonicContact CD2-OE2 2.67Å; H30-E33 IonicContact NE2-OE2 3.9Å; I31-E33 VanDerWaalsContact C-N 3.33Å; I31-E33 PolarHBondContact O-N 3.15Å; E33-K37 VanDerWaalsContact O-CB 3.26Å; E33-K37 WeakPolarHBondContact O-CB 3.47Å; E33-K37 VanDerWaalsContact O-CG 3.28Å; E33-K37 WeakPolarHBondContact O-CG 3.33Å; E33-K37 PolarHBondContact O-N 3.02Å; E33-K37 IonicContact OE2-NZ 3.8Å; E33-K37 PolarHBondContact OE2-NZ 3.26Å
34	Y	36.2	Very low	32.7	Very low	64 Å²	64	107.1 Å²	107.1	25%	0.251	53%	0.532	S	S	.	.	H	α-helix	trans	-81.2	-41.5	172.5	177.5	-123	0	0	0	111.2	H30 I31 D32 K36 K37 L38 P625	H30-Y34 WeakPolarHBondContact O-CB 3.32Å; I31-Y34 CarbonylContact O-C 3.58Å; I31-Y34 WeakPolarHBondContact O-CA 3.36Å; I31-Y34 WeakPolarHBondContact O-CB 3.41Å; I31-Y34 PolarHBondContact O-N 2.88Å; D32-Y34 VanDerWaalsContact C-N 3.3Å; Y34-K36 VanDerWaalsContact C-N 3.34Å; Y34-K37 PolarHBondContact O-N 3.22Å; Y34-L38 HydrophobicContact CD1-CD1 4.14Å; Y34-L38 HydrophobicContact CD2-CD1 4.39Å; Y34-L38 HydrophobicContact CD2-CG 4.47Å; Y34-L38 HydrophobicContact CE1-CD1 3.92Å; Y34-L38 HydrophobicContact CE2-CD1 4.16Å; Y34-L38 HydrophobicContact CE2-CG 4.31Å; Y34-L38 HydrophobicContact CG-CD1 4.39Å; Y34-L38 WeakPolarHBondContact O-CB 3.39Å; Y34-L38 VanDerWaalsContact O-CG 3.3Å; Y34-L38 WeakPolarHBondContact O-CG 3.44Å; Y34-L38 PolarHBondContact O-N 3.21Å; Y34-P625 WeakPolarHBondContact OH-CB 3.48Å; Y34-P625 PolarHBondContact OH-O 3.39Å
35	I	36.4	Very low	32.5	Very low	97 Å²	97	107.9 Å²	107.9	50%	0.497	54%	0.536	S	S	.	.	H	α-helix	trans	-56.7	-48.6	166.7	-67.3	166.1	0	0	0	109.5	I31 K37 L38 A39	I31-I35 HydrophobicContact CG2-CD1 3.86Å; I31-I35 WeakPolarHBondContact O-CG1 3.36Å; I31-I35 PolarHBondContact O-N 3.27Å; I35-K37 PolarHBondContact O-N 2.98Å; I35-L38 PolarHBondContact O-N 3.19Å; I35-A39 PolarHBondContact O-N 3.45Å
36	K	37.8	Very low	32.2	Very low	124 Å²	124	108.6 Å²	108.6	54%	0.539	55%	0.55	S	S	.	.	H	α-helix	trans	-66.6	-32.2	176	-71.7	162.3	-177.2	161.2	0	113.2	D32 Y34 A39 L40	D32-K36 VanDerWaalsContact O-CB 3.25Å; D32-K36 WeakPolarHBondContact O-CB 3.4Å; D32-K36 WeakPolarHBondContact O-CD 3.41Å; D32-K36 WeakPolarHBondContact O-CG 3.19Å; D32-K36 PolarHBondContact O-N 3.43Å; Y34-K36 VanDerWaalsContact C-N 3.34Å; K36-A39 PolarHBondContact O-N 3.09Å; K36-L40 VanDerWaalsContact O-CB 3.23Å; K36-L40 WeakPolarHBondContact O-CB 3.42Å; K36-L40 WeakPolarHBondContact O-CD1 3.45Å; K36-L40 VanDerWaalsContact O-CG 3.27Å; K36-L40 WeakPolarHBondContact O-CG 3.48Å; K36-L40 PolarHBondContact O-N 2.92Å
37	K	35.7	Very low	31.9	Very low	74 Å²	74	111.2 Å²	111.2	32%	0.322	57%	0.572	S	S	.	*	H	α-helix	trans	-71.6	-39.9	171.9	-86.2	170.9	179.3	137.1	0	113	H30 E33 Y34 I35 A39 L40 D41	H30-K37 PolarHBondContact NE2-NZ 2.73Å; H30-K37 VanDerWaalsContact NE2-NZ 3.11Å; E33-K37 VanDerWaalsContact O-CB 3.26Å; E33-K37 WeakPolarHBondContact O-CB 3.47Å; E33-K37 VanDerWaalsContact O-CG 3.28Å; E33-K37 WeakPolarHBondContact O-CG 3.33Å; E33-K37 PolarHBondContact O-N 3.02Å; E33-K37 IonicContact OE2-NZ 3.8Å; E33-K37 PolarHBondContact OE2-NZ 3.26Å; Y34-K37 PolarHBondContact O-N 3.22Å; I35-K37 PolarHBondContact O-N 2.98Å; K37-A39 PolarHBondContact O-N 3.27Å; K37-L40 PolarHBondContact O-N 3.18Å; K37-L40 VanDerWaalsContact O-N 3.09Å; K37-D41 PolarHBondContact O-N 3.32Å
38	L	35.9	Very low	31.9	Very low	93 Å²	93	108.1 Å²	108.1	49%	0.487	57%	0.565	S	S	.	*	H	α-helix	trans	-62.1	-30.4	171.6	-71.1	166.7	0	0	0	111.2	Y34 I35 N42	Y34-L38 HydrophobicContact CD1-CD1 4.14Å; Y34-L38 HydrophobicContact CD2-CD1 4.39Å; Y34-L38 HydrophobicContact CD2-CG 4.47Å; Y34-L38 HydrophobicContact CE1-CD1 3.92Å; Y34-L38 HydrophobicContact CE2-CD1 4.16Å; Y34-L38 HydrophobicContact CE2-CG 4.31Å; Y34-L38 HydrophobicContact CG-CD1 4.39Å; Y34-L38 WeakPolarHBondContact O-CB 3.39Å; Y34-L38 VanDerWaalsContact O-CG 3.3Å; Y34-L38 WeakPolarHBondContact O-CG 3.44Å; Y34-L38 PolarHBondContact O-N 3.21Å; I35-L38 PolarHBondContact O-N 3.19Å; L38-N42 PolarHBondContact O-ND2 3.22Å
39	A	32.7	Very low	31.9	Very low	62 Å²	62	104.9 Å²	104.9	51%	0.512	55%	0.553	S	S	.	*	H	α-helix	trans	-78	-30	169.9	0	0	0	0	0	114.5	I35 K36 K37 C43	I35-A39 PolarHBondContact O-N 3.45Å; K36-A39 PolarHBondContact O-N 3.09Å; K37-A39 PolarHBondContact O-N 3.27Å; A39-C43 PolarHBondContact O-SG 3.05Å; A39-C43 VanDerWaalsContact O-SG 3.34Å
40	L	33.9	Very low	32	Very low	108 Å²	108	108.2 Å²	108.2	57%	0.565	57%	0.572	S	S	*	*	H	α-helix	trans	-93.3	-40.8	-174	-81.9	164	0	0	0	115.1	K36 K37 N42 C43	K36-L40 VanDerWaalsContact O-CB 3.23Å; K36-L40 WeakPolarHBondContact O-CB 3.42Å; K36-L40 WeakPolarHBondContact O-CD1 3.45Å; K36-L40 VanDerWaalsContact O-CG 3.27Å; K36-L40 WeakPolarHBondContact O-CG 3.48Å; K36-L40 PolarHBondContact O-N 2.92Å; K37-L40 PolarHBondContact O-N 3.18Å; K37-L40 VanDerWaalsContact O-N 3.09Å; L40-N42 PolarHBondContact O-N 3.08Å; L40-C43 PolarHBondContact O-N 3.49Å
41	D	32.1	Very low	31.7	Very low	100 Å²	100	110.2 Å²	110.2	54%	0.535	59%	0.59	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.8	-12.7	-177.9	-86.1	-49.2	0	0	0	113.1	K37 C43 K424	K37-D41 PolarHBondContact O-N 3.32Å; D41-C43 VanDerWaalsContact C-N 3.27Å; D41-K424 IonicContact OD1-NZ 2.68Å; D41-K424 PolarHBondContact OD1-NZ 3.35Å
42	N	31.5	Very low	31.3	Very low	127 Å²	127	109.1 Å²	109.1	68%	0.679	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	-6.5	165.5	-78.7	-50.4	0	0	0	113.6	L38 L40	L38-N42 PolarHBondContact O-ND2 3.22Å; L40-N42 PolarHBondContact O-N 3.08Å
43	C	26.4	Very low	31	Very low	84 Å²	84	112.3 Å²	112.3	57%	0.568	61%	0.608	S	S	*	*	S	Bend	trans	-123.4	38.2	-164.2	-72.6	0	0	0	0	115.1	A39 L40 D41	A39-C43 PolarHBondContact O-SG 3.05Å; A39-C43 VanDerWaalsContact O-SG 3.34Å; L40-C43 PolarHBondContact O-N 3.49Å; D41-C43 VanDerWaalsContact C-N 3.27Å
44	F	27	Very low	30.4	Very low	182 Å²	182	114.6 Å²	114.6	80%	0.798	63%	0.627	S	S	*	*			trans	-149.9	145.5	170.4	-104.2	-71	0	0	0	117
45	V	27.3	Very low	29.9	Very low	131 Å²	131	115.9 Å²	115.9	79%	0.794	65%	0.645	S	S	*	*			trans	76	94.1	173.4	-166.3	0	0	0	0	116.1
46	T	25.5	Very low	29.4	Very low	131 Å²	131	120.7 Å²	120.7	80%	0.804	66%	0.663	S	S	*	*			trans	-95.5	160.9	163.4	47.8	0	0	0	0	111.6
47	S	27.8	Very low	28.9	Very low	103 Å²	103	121 Å²	121	72%	0.72	68%	0.675	S	S	*	*			trans	69.4	144.7	179.1	84.3	0	0	0	0	114.6
48	K	28.7	Very low	28.4	Very low	165 Å²	165	126.8 Å²	126.8	72%	0.717	70%	0.7	S	S	*	*			cis	-138.6	146	17.4	-90.1	-177.7	153.5	-88.3	0	113.7
49	D	29.5	Very low	28	Very low	111 Å²	111	128.1 Å²	128.1	59%	0.594	71%	0.712	S	S	*	*			trans	55.1	114.7	131.4	-40.3	-15	0	0	0	120.9
50	D	28.1	Very low	27.8	Very low	148 Å²	148	130.8 Å²	130.8	79%	0.791	72%	0.722	S	S	*	*			trans	83	97.2	134	-61.5	-15.4	0	0	0	125.8
51	V	28.1	Very low	27.5	Very low	124 Å²	124	133.1 Å²	133.1	75%	0.752	73%	0.734	S	S	*	*				78.8	141.1	112.3	169.2	0	0	0	0	122.3
52	S	26.9	Very low	27.6	Very low	98 Å²	98	133.3 Å²	133.3	69%	0.685	74%	0.741	S	S	*	*			trans	67.3	129.6	164.6	61.4	0	0	0	0	119.6
53	I	27.2	Very low	27.5	Very low	161 Å²	161	136.1 Å²	136.1	83%	0.826	75%	0.75	S	S	*	*			cis	92.2	135.6	36.1	-69.6	165.2	0	0	0	113
54	V	24.8	Very low	27.6	Very low	120 Å²	120	136 Å²	136	73%	0.727	76%	0.755	S	S	*	*			cis	-169	155.7	-30.1	81.5	0	0	0	0	110.8
55	S	25.9	Very low	27.9	Very low	91 Å²	91	133 Å²	133	64%	0.636	75%	0.754	S	S	*	*			trans	75.5	137.7	151.3	77.5	0	0	0	0	125.2
56	K	25.4	Very low	28.2	Very low	198 Å²	198	135 Å²	135	86%	0.861	75%	0.754	S	S	*	*			trans	60.5	127.2	132.7	-72.7	173.2	179.1	174.2	0	123.2
57	V	26.2	Very low	28.5	Very low	131 Å²	131	133.5 Å²	133.5	79%	0.794	75%	0.749	S	S	*	*				178.7	121.1	117.9	148.5	0	0	0	0	105.5
58	K	25.6	Very low	28.5	Very low	195 Å²	195	133.7 Å²	133.7	85%	0.848	75%	0.749	S	S	*	*				75.1	150.9	58.2	-166.3	168	-178.5	-179.4	0	113.4
59	T	27.1	Very low	28.5	Very low	121 Å²	121	132.7 Å²	132.7	74%	0.742	75%	0.75	S	S	*	*			trans	98.5	128.2	-175.6	-47.4	0	0	0	0	111.3
60	T	29.2	Very low	28.4	Very low	117 Å²	117	132.5 Å²	132.5	72%	0.718	76%	0.757	S	S	*	*			cis	-156.2	141.3	-6.2	22.8	0	0	0	0	107.9
61	L	28.3	Very low	28.6	Very low	158 Å²	158	130.9 Å²	130.9	83%	0.827	75%	0.753	S	S	*	*				77.9	159.9	84.5	-122.5	80.5	0	0	0	114.7
62	P	32.7	Very low	28.8	Very low	104 Å²	104	133.8 Å²	133.8	68%	0.675	76%	0.758	S	S	*	*				-131.5	-140.6	-94.9	46.6	-30.4	0	0	0	115.1
63	E	29.8	Very low	28.9	Very low	186 Å²	186	136.4 Å²	136.4	87%	0.869	77%	0.765	S	S	*	*			trans	86.3	148.2	174.3	-54.7	-168.4	136.2	0	0	117.4
64	A	28.8	Very low	29.4	Very low	81 Å²	81	133.2 Å²	133.2	67%	0.669	75%	0.754	S	S	*	*			cis	-163.5	159.5	-26.7	0	0	0	0	0	110.3
65	P	33.8	Very low	29.8	Very low	120 Å²	120	134.9 Å²	134.9	78%	0.779	76%	0.758	S	S	*	*			trans	-111.1	156.7	-169.9	39.9	-33.4	0	0	0	117.4
66	H	33.2	Very low	30.2	Very low	173 Å²	173	136 Å²	136	80%	0.801	77%	0.766	S	S	*	*			trans	-147.4	120.9	176.7	-73.1	-63.8	0	0	0	109.4
67	S	31.5	Very low	30.6	Very low	99 Å²	99	138.3 Å²	138.3	69%	0.692	77%	0.769	S	S	*	*				66.7	141.2	85.5	77.8	0	0	0	0	115.8
68	C	28.8	Very low	30.7	Very low	106 Å²	106	135.9 Å²	135.9	72%	0.716	77%	0.771	S	S	*	*			cis	-172.7	146.7	-6.7	-109.3	0	0	0	0	112.7
69	I	28.4	Very low	31	Very low	144 Å²	144	130.6 Å²	130.6	74%	0.738	77%	0.772	S	S	*	*			trans	63.6	130.2	133.5	-61.4	169.5	0	0	0	122.8
70	S	27	Very low	31.1	Very low	107 Å²	107	134.1 Å²	134.1	75%	0.748	78%	0.776	S	S	*	*			trans	67	155.2	156.8	-67.3	0	0	0	0	118.9
71	T	32.2	Very low	31.4	Very low	115 Å²	115	138.7 Å²	138.7	71%	0.706	79%	0.787	S	S	*	*			cis	-152.6	149.4	39.3	44.7	0	0	0	0	117.2
72	Q	33	Very low	31.6	Very low	184 Å²	184	136.1 Å²	136.1	86%	0.86	78%	0.782	S	S	*	*			trans	62	102.8	135.6	-62.9	174.6	14.3	0	0	123.1
73	N	27.3	Very low	31.7	Very low	154 Å²	154	139.2 Å²	139.2	82%	0.824	79%	0.793	S	S	*	*			trans	-37.3	176.6	133.8	-112.9	-20.6	0	0	0	116
74	P	39.7	Very low	31.8	Very low	94 Å²	94	138.6 Å²	138.6	61%	0.61	79%	0.79	S	S	*	*			cis	-146.2	-171.7	-1.6	36.4	-13	0	0	0	117.9
75	L	31.8	Very low	32.1	Very low	155 Å²	155	142.8 Å²	142.8	81%	0.812	80%	0.8	S	S	*	*			trans	65.9	116.2	138.8	-88.8	158.8	0	0	0	122.6
76	S	34.1	Very low	31.8	Very low	113 Å²	113	142.3 Å²	142.3	79%	0.79	80%	0.799	S	S	*	*				178.1	162	107.4	-82.4	0	0	0	0	116.3
77	R	33.5	Very low	31.8	Very low	248 Å²	248	137.8 Å²	137.8	94%	0.936	80%	0.799	S	S	*	*			trans	-34.8	156.5	173.5	-67	169.2	166.5	-178.3	-5.9	116.9
78	G	29.1	Very low	31.7	Very low	80 Å²	80	138.5 Å²	138.5	83%	0.825	80%	0.799	S	S	*	*			cis	118.4	119	1.1	0	0	0	0	0	114.3
79	G	31	Very low	31.9	Very low	84 Å²	84	143.8 Å²	143.8	87%	0.866	81%	0.811	S	S	*	*			trans	-177.8	137.7	174.6	0	0	0	0	0	112.9
80	K	31	Very low	32	Very low	194 Å²	194	141.4 Å²	141.4	84%	0.843	81%	0.807	S	S	*	*			trans	-116	151.6	171.9	-65.4	-177.8	178.3	-176	0	109.1
81	F	34.9	Very low	32.2	Very low	213 Å²	213	143 Å²	143	93%	0.934	81%	0.812	S	S	*	*			trans	-150.5	158.3	137.4	-100.4	-73.9	0	0	0	109.3
82	S	31.7	Very low	32	Very low	104 Å²	104	144.2 Å²	144.2	73%	0.727	81%	0.814	S	S	*	*			trans	-131.8	149	179.6	-62.1	0	0	0	0	108.2
83	D	35.3	Very low	31.9	Very low	169 Å²	169	145 Å²	145	90%	0.904	82%	0.818	S	S	*	*			trans	-155.5	163.7	155.9	-105.9	-39	0	0	0	111.6
84	Q	31.4	Very low	31.9	Very low	174 Å²	174	143.4 Å²	143.4	81%	0.813	81%	0.813	S	S	*	*			trans	-103.1	164.3	-175.1	-54.1	172.2	16.8	0	0	111
85	I	35.4	Very low	31.5	Very low	169 Å²	169	144.4 Å²	144.4	87%	0.867	82%	0.822	S	S	*	*				174.9	155.9	126.8	-90.7	157.4	0	0	0	111.2
86	S	28.1	Very low	31.4	Very low	109 Å²	109	145.6 Å²	145.6	76%	0.762	82%	0.823	S	S	*	*			trans	-74	157	-172.9	54.6	0	0	0	0	116.5
87	G	32.6	Very low	31.2	Very low	79 Å²	79	147.6 Å²	147.6	81%	0.814	83%	0.825	S	S	*	*			trans	-146.3	124.6	157.5	0	0	0	0	0	111.2
88	V	29.5	Very low	31.3	Very low	114 Å²	114	140.4 Å²	140.4	69%	0.691	81%	0.81	S	S	*	*			trans	-118.8	138.7	-177.5	172.2	0	0	0	0	109.6
89	F	33	Very low	31.3	Very low	217 Å²	217	140.6 Å²	140.6	95%	0.952	80%	0.799	S	S	*	*			trans	-142.9	128.1	156.8	-85.6	-73.8	0	0	0	111.1
90	S	30.1	Very low	31.4	Very low	94 Å²	94	144.7 Å²	144.7	66%	0.657	80%	0.795	S	S	*	*			trans	-103.9	166.6	175.6	-44.2	0	0	0	0	110.7
91	T	31.6	Very low	31.2	Very low	141 Å²	141	141.9 Å²	141.9	87%	0.865	79%	0.789	S	S	*	*			trans	-167.9	136.3	134.6	-72	0	0	0	0	108.9
92	D	28.8	Very low	31.1	Very low	140 Å²	140	139.1 Å²	139.1	75%	0.749	78%	0.783	S	S	*	*			trans	-86.7	164.2	-175.4	-48.3	-95.6	0	0	0	114
93	Q	31.1	Very low	31	Very low	200 Å²	200	140.7 Å²	140.7	94%	0.935	78%	0.783	S	S	*	*			trans	-147.7	141	143.3	-145.5	170.6	23	0	0	111.4
94	V	26.9	Very low	30.6	Very low	120 Å²	120	142.8 Å²	142.8	73%	0.727	78%	0.784	S	S	*	*			trans	-137.1	134.5	-172.3	174.7	0	0	0	0	110.4
95	C	29.8	Very low	30.6	Very low	116 Å²	116	139.6 Å²	139.6	78%	0.784	78%	0.779	S	S	*	*			trans	-150.2	111.1	153	-87.7	0	0	0	0	105.7
96	E	31.1	Very low	30.1	Very low	180 Å²	180	140.1 Å²	140.1	84%	0.841	78%	0.778	S	S	*	*				89.7	146.3	77.9	-80.5	-168.9	174.4	0	0	114.1
97	N	28.7	Very low	30.2	Very low	154 Å²	154	142.1 Å²	142.1	82%	0.824	79%	0.785	S	S	*	*			trans	-160.1	177.1	-161.8	-149.2	3.2	0	0	0	105.5
98	P	36.7	Very low	29.8	Very low	97 Å²	97	140.9 Å²	140.9	63%	0.63	77%	0.772	S	S	*	*			cis	-130.2	-163.8	-17.2	32.8	-10.8	0	0	0	112.8
99	S	29.1	Very low	29.9	Very low	84 Å²	84	147 Å²	147	59%	0.587	78%	0.784	S	S	*	*			trans	128.7	144.8	131.5	-50.9	0	0	0	0	118.1
100	H	32.3	Very low	29.6	Very low	170 Å²	170	143.6 Å²	143.6	79%	0.787	78%	0.776	S	S	*	*			trans	70.8	146.1	159.4	-54.2	-56.8	0	0	0	118.9
101	L	26.7	Very low	29.5	Very low	136 Å²	136	147.4 Å²	147.4	71%	0.712	79%	0.788	S	S	*	*			cis	-166.8	172.8	-17.4	-115.4	173.8	0	0	0	110.7
102	L	32.9	Very low	29.1	Very low	154 Å²	154	146.2 Å²	146.2	81%	0.806	78%	0.781	S	S	*	*			trans	92.6	134.5	162.3	-52	-173.3	0	0	0	119.8
103	D	29.5	Very low	29.1	Very low	137 Å²	137	143.8 Å²	143.8	73%	0.733	78%	0.781	S	S	*	*			trans	-98.2	165.3	-171.8	-43.3	-101.4	0	0	0	114.3
104	F	28.4	Very low	28.8	Very low	213 Å²	213	143.6 Å²	143.6	93%	0.934	78%	0.777	S	S	*	*			trans	-147.3	150	135.3	-88.6	-69.7	0	0	0	110.5
105	P	29.4	Very low	28.7	Very low	108 Å²	108	142.8 Å²	142.8	70%	0.701	78%	0.777	S	S	*	*			trans	-108.1	151.7	-153.6	40.1	-36.7	0	0	0	117.7
106	E	26.3	Very low	28.6	Very low	180 Å²	180	147.7 Å²	147.7	84%	0.841	79%	0.785	S	S	*	*			trans	38	102.5	132.1	-165.8	172.3	-158.1	0	0	120.8
107	V	29.7	Very low	28.4	Very low	151 Å²	151	144.2 Å²	144.2	92%	0.915	78%	0.78	S	S	*	*				-164.9	139.7	121.7	-95.7	0	0	0	0	109.7
108	G	24.4	Very low	28.4	Very low	53 Å²	53	142.5 Å²	142.5	55%	0.546	78%	0.778	S	S	.	*			cis	152.6	57.5	-5.4	0	0	0	0	0	115.5
109	Y	30.7	Very low	28	Very low	241 Å²	241	143 Å²	143	95%	0.945	79%	0.79	S	S	*	*			trans	-138.9	111.7	166.7	-75.4	-70.1	0	0	0	112.3
110	L	26.7	Very low	28.2	Very low	147 Å²	147	144.5 Å²	144.5	77%	0.77	80%	0.796	S	S	*	*			trans	-84	152.7	171.8	-69.2	164.7	0	0	0	110.7
111	N	28.1	Very low	28.5	Very low	173 Å²	173	141.2 Å²	141.2	93%	0.925	79%	0.792	S	S	*	*			trans	-155.1	98.6	130.8	-104	-31.8	0	0	0	112
112	T	23.9	Very low	29.7	Very low	116 Å²	116	138.4 Å²	138.4	71%	0.712	78%	0.777	S	S	*	*			trans	-81.9	132	176	46.1	0	0	0	0	113.1
113	A	28.6	Very low	31.1	Very low	90 Å²	90	139.6 Å²	139.6	74%	0.744	78%	0.776	S	S	*	*			trans	-173.8	99.3	141.8	0	0	0	0	0	109.2
114	K	25.9	Very low	32.8	Very low	196 Å²	196	137.3 Å²	137.3	85%	0.852	76%	0.76	S	S	*	*				84	123.3	80.8	-82.3	-177.7	176.6	178.2	0	114.6
115	S	24.1	Very low	34.9	Very low	103 Å²	103	128 Å²	128	72%	0.72	72%	0.72	S	S	*	*			trans	54.1	97.6	157.2	58.7	0	0	0	0	119.3
116	F	28.5	Very low	37	Very low	219 Å²	219	127.2 Å²	127.2	96%	0.961	72%	0.718	S	S	*	*				-135.8	161.2	127.8	-94.4	-73.3	0	0	0	110.1
117	S	25	Very low	39.5	Very low	106 Å²	106	119 Å²	119	74%	0.741	68%	0.679	S	S	*	*			trans	-96.6	178.7	-163.3	58.4	0	0	0	0	112.4
118	P	28.8	Very low	41.7	Very low	119 Å²	119	112 Å²	112	77%	0.773	64%	0.636	S	S	*	*	S	Bend	trans	-72.5	163.5	-157.4	31.3	-35.8	0	0	0	114.1	T120	P118-T120 PolarHBondContact O-N 3.25Å
119	A	28.6	Very low	43.8	Very low	107 Å²	107	113.9 Å²	113.9	88%	0.884	64%	0.637	S	S	*	*			trans	-50.3	102.7	-169	0	0	0	0	0	114.4
120	T	33.5	Very low	45.8	Very low	115 Å²	115	105.3 Å²	105.3	71%	0.706	61%	0.607	S	S	*	*			trans	-68.2	132.6	156	41.9	0	0	0	0	108.7	P118 L122	P118-T120 PolarHBondContact O-N 3.25Å; T120-L122 PolarHBondContact O-N 3.44Å; T120-L122 VanDerWaalsContact O-N 3.07Å
121	S	39.4	Very low	48.1	Very low	102 Å²	102	101.4 Å²	101.4	71%	0.713	58%	0.584	S	S	*	*			trans	-60.2	113.6	170.6	47.7	0	0	0	0	109.6	K123	S121-K123 PolarHBondContact O-N 2.87Å
122	L	51.8	Low	50.2	Low	76 Å²	76	98 Å²	98	40%	0.398	57%	0.574	S	S	.	*			trans	-65.5	100.3	179.7	-88.4	83.2	0	0	0	109.3	T120 K124 Y222 E223	T120-L122 PolarHBondContact O-N 3.44Å; T120-L122 VanDerWaalsContact O-N 3.07Å; L122-K124 PolarHBondContact O-N 3.35Å; L122-Y222 HydrophobicContact CB-CD2 4.38Å; L122-E223 HydrophobicContact CD2-CG 4.07Å
123	K	61.1	Low	52.5	Low	180 Å²	180	95.3 Å²	95.3	78%	0.783	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-64.5	131.3	171.5	-65	-176.2	179.4	-178.3	0	108.6	S121	S121-K123 PolarHBondContact O-N 2.87Å
124	K	66.8	Low	55	Low	89 Å²	89	92.2 Å²	92.2	39%	0.387	53%	0.531	S	S	.	.	P	Polyproline II helix	trans	-48.2	124.8	173.4	-179.8	-179.1	171.7	-170.4	0	109.6	L122 L128 V129 Y222	L122-K124 PolarHBondContact O-N 3.35Å; K124-L128 HydrophobicContact CD-CB 4.39Å; K124-L128 WeakPolarHBondContact CE-O 3.39Å; K124-L128 HydrophobicContact CG-CB 4.15Å; K124-L128 HydrophobicContact CG-CD1 4.46Å; K124-L128 PolarHBondContact NZ-O 3.28Å; K124-V129 HydrophobicContact CD-CG2 3.84Å; K124-V129 HydrophobicContact CG-CG2 4.16Å; K124-Y222 HydrophobicContact CB-CE1 4.45Å; K124-Y222 HydrophobicContact CG-CE1 4.12Å
125	P	71.8	Confident	57.7	Low	17 Å²	17	84.5 Å²	84.5	11%	0.11	50%	0.501	C	S	.	.	P	Polyproline II helix	trans	-53.8	141.1	-178.6	-28.4	32.8	0	0	0	112.9	W127 L128 Y222	P125-W127 HydrophobicContact CB-CD2 4.27Å; P125-W127 HydrophobicContact CB-CG 4.2Å; P125-W127 HydrophobicContact CB-CZ2 4.26Å; P125-W127 VanDerWaalsContact CB-NE1 3.27Å; P125-W127 HydrophobicContact CG-CZ2 4.35Å; P125-W127 PolarHBondContact O-N 3.05Å; P125-W127 VanDerWaalsContact O-N 3.17Å; P125-L128 PolarHBondContact O-N 3.09Å; P125-Y222 VanDerWaalsContact CD-CD1 3.46Å; P125-Y222 HydrophobicContact CG-CD1 4.31Å
126	S	73.5	Confident	60.6	Low	92 Å²	92	84.4 Å²	84.4	64%	0.643	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-57.1	-32.8	-178.4	49.4	0	0	0	0	112.8	L128 V129 N130	S126-L128 VanDerWaalsContact C-N 3.29Å; S126-L128 PolarHBondContact O-N 2.77Å; S126-V129 PolarHBondContact O-N 3.4Å; S126-N130 PolarHBondContact O-N 3.47Å
127	W	78.7	Confident	63.3	Low	8 Å²	8	75.9 Å²	75.9	3%	0.03	46%	0.462	C	S	.	.	G	3₁₀ helix	trans	-70.7	-17.9	178.1	62.3	-101.7	0	0	0	114.4	P125 V129 S133 L134 A195 L221 Q224 P227	P125-W127 HydrophobicContact CB-CD2 4.27Å; P125-W127 HydrophobicContact CB-CG 4.2Å; P125-W127 HydrophobicContact CB-CZ2 4.26Å; P125-W127 VanDerWaalsContact CB-NE1 3.27Å; P125-W127 HydrophobicContact CG-CZ2 4.35Å; P125-W127 PolarHBondContact O-N 3.05Å; P125-W127 VanDerWaalsContact O-N 3.17Å; W127-V129 VanDerWaalsContact C-N 3.3Å; W127-S133 WeakPolarHBondContact CA-OG 3.44Å; W127-S133 WeakPolarHBondContact CB-OG 3.39Å; W127-L134 HydrophobicContact CB-CD2 4.46Å; W127-L134 HydrophobicContact CE3-CD2 3.96Å; W127-L134 WeakPolarHBondContact O-CD2 3.34Å; W127-A195 HydrophobicContact CH2-CB 3.76Å; W127-A195 HydrophobicContact CZ3-CB 3.71Å; W127-L221 HydrophobicContact CH2-CB 4.34Å; W127-L221 HydrophobicContact CH2-CD1 4.48Å; W127-L221 HydrophobicContact CH2-CD2 4.39Å; W127-Q224 HydrophobicContact CZ2-CB 4.16Å; W127-Q224 PolarHBondContact NE1-O 2.93Å; W127-P227 HydrophobicContact CB-CG 4.44Å; W127-P227 HydrophobicContact CD2-CB 3.79Å; W127-P227 HydrophobicContact CD2-CG 4.33Å; W127-P227 HydrophobicContact CE3-CB 3.57Å; W127-P227 HydrophobicContact CE3-CG 4.46Å; W127-P227 HydrophobicContact CG-CB 4.29Å; W127-P227 HydrophobicContact CG-CG 4.32Å; W127-P227 HydrophobicContact CZ3-CB 3.93Å
128	L	74.9	Confident	66.3	Low	2 Å²	2	70.9 Å²	70.9	1%	0.01	43%	0.426	C	S	.	.	G	3₁₀ helix	trans	-86.7	1.6	168.2	-71.9	175.8	0	0	0	112.8	K124 P125 S126 V191 L221 Y222	K124-L128 HydrophobicContact CD-CB 4.39Å; K124-L128 WeakPolarHBondContact CE-O 3.39Å; K124-L128 HydrophobicContact CG-CB 4.15Å; K124-L128 HydrophobicContact CG-CD1 4.46Å; K124-L128 PolarHBondContact NZ-O 3.28Å; P125-L128 PolarHBondContact O-N 3.09Å; S126-L128 VanDerWaalsContact C-N 3.29Å; S126-L128 PolarHBondContact O-N 2.77Å; L128-V191 HydrophobicContact CD2-CG1 4.02Å; L128-L221 HydrophobicContact CD1-CB 4.27Å; L128-L221 HydrophobicContact CD1-CD1 4.29Å; L128-Y222 HydrophobicContact CD1-CD1 4.27Å; L128-Y222 HydrophobicContact CD1-CE1 4.09Å
129	V	69.6	Low	68.9	Low	93 Å²	93	66.8 Å²	66.8	56%	0.564	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.3	-46.6	-178.9	-176.6	0	0	0	0	111.1	K124 S126 W127	K124-V129 HydrophobicContact CD-CG2 3.84Å; K124-V129 HydrophobicContact CG-CG2 4.16Å; S126-V129 PolarHBondContact O-N 3.4Å; W127-V129 VanDerWaalsContact C-N 3.3Å
130	N	72.1	Confident	71.6	Confident	62 Å²	62	64.2 Å²	64.2	33%	0.332	38%	0.377	S	S	.	.			trans	-107.4	110.2	175.5	173.2	-85.8	0	0	0	110.1	S126 S132 S133 E381	S126-N130 PolarHBondContact O-N 3.47Å; N130-S132 VanDerWaalsContact C-N 3.26Å; N130-S132 PolarHBondContact ND2-OG 2.97Å; N130-S132 PolarHBondContact O-N 3Å; N130-S132 VanDerWaalsContact OD1-CB 3.25Å; N130-S132 WeakPolarHBondContact OD1-CB 3.42Å; N130-S132 PolarHBondContact OD1-N 3.43Å; N130-S132 PolarHBondContact OD1-OG 3.38Å; N130-S133 PolarHBondContact O-OG 2.93Å; N130-E381 PolarHBondContact ND2-OE1 2.71Å; N130-E381 VanDerWaalsContact ND2-OE1 3.11Å
131	F	76.3	Confident	74.2	Confident	65 Å²	65	58.7 Å²	58.7	29%	0.285	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-72.8	-14.6	-176.1	-59.5	-30.8	0	0	0	114.1	S133 L134 P187 T188 V191	F131-S133 PolarHBondContact O-N 3.02Å; F131-S133 VanDerWaalsContact O-N 3.09Å; F131-L134 HydrophobicContact CB-CD1 3.96Å; F131-L134 HydrophobicContact CD1-CD1 3.75Å; F131-L134 HydrophobicContact CG-CD1 4.15Å; F131-L134 WeakPolarHBondContact O-CB 3.49Å; F131-L134 PolarHBondContact O-N 3.05Å; F131-L134 VanDerWaalsContact O-N 3.1Å; F131-P187 HydrophobicContact CE2-CB 4.18Å; F131-T188 HydrophobicContact CZ-CG2 4.45Å; F131-V191 HydrophobicContact CD1-CG2 4.27Å; F131-V191 HydrophobicContact CE1-CB 4.43Å; F131-V191 HydrophobicContact CE1-CG2 4.05Å
132	S	71.2	Confident	76.3	Confident	102 Å²	102	54.8 Å²	54.8	71%	0.713	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-61.8	-17	177.8	-37.1	0	0	0	0	113.3	N130	N130-S132 VanDerWaalsContact C-N 3.26Å; N130-S132 PolarHBondContact ND2-OG 2.97Å; N130-S132 PolarHBondContact O-N 3Å; N130-S132 VanDerWaalsContact OD1-CB 3.25Å; N130-S132 WeakPolarHBondContact OD1-CB 3.42Å; N130-S132 PolarHBondContact OD1-N 3.43Å; N130-S132 PolarHBondContact OD1-OG 3.38Å
133	S	73	Confident	77.8	Confident	59 Å²	59	58.1 Å²	58.1	41%	0.413	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-93.9	-0.1	178.7	64.1	0	0	0	0	114.8	W127 N130 F131	W127-S133 WeakPolarHBondContact CA-OG 3.44Å; W127-S133 WeakPolarHBondContact CB-OG 3.39Å; N130-S133 PolarHBondContact O-OG 2.93Å; F131-S133 PolarHBondContact O-N 3.02Å; F131-S133 VanDerWaalsContact O-N 3.09Å
134	L	81.1	Confident	78.9	Confident	25 Å²	25	51 Å²	51	13%	0.131	30%	0.296	C	S	.	.	S	Bend	trans	-82.9	143.1	-175.5	-67.8	174.1	0	0	0	113.3	W127 F131 Y138 V191 P227	W127-L134 HydrophobicContact CB-CD2 4.46Å; W127-L134 HydrophobicContact CE3-CD2 3.96Å; W127-L134 WeakPolarHBondContact O-CD2 3.34Å; F131-L134 HydrophobicContact CB-CD1 3.96Å; F131-L134 HydrophobicContact CD1-CD1 3.75Å; F131-L134 HydrophobicContact CG-CD1 4.15Å; F131-L134 WeakPolarHBondContact O-CB 3.49Å; F131-L134 PolarHBondContact O-N 3.05Å; F131-L134 VanDerWaalsContact O-N 3.1Å; L134-Y138 HydrophobicContact CB-CD2 4.35Å; L134-Y138 HydrophobicContact CB-CG 4.25Å; L134-Y138 HydrophobicContact CD1-CD1 4.34Å; L134-Y138 HydrophobicContact CD1-CG 4.32Å; L134-Y138 HydrophobicContact CD2-CD1 4.39Å; L134-Y138 HydrophobicContact CD2-CD2 4.48Å; L134-Y138 HydrophobicContact CD2-CE1 4.47Å; L134-Y138 HydrophobicContact CD2-CG 4.37Å; L134-V191 HydrophobicContact CD1-CB 4.41Å; L134-V191 HydrophobicContact CD1-CG1 3.74Å; L134-V191 HydrophobicContact CD1-CG2 3.66Å; L134-V191 HydrophobicContact CD2-CG1 4.06Å; L134-P227 HydrophobicContact CD2-CB 3.99Å; L134-P227 HydrophobicContact CD2-CG 4.32Å
135	P	82.8	Confident	79.7	Confident	33 Å²	33	46.7 Å²	46.7	21%	0.214	28%	0.277	C	S	.	.			trans	-56.2	144.3	170.8	-26.2	33.1	0	0	0	112.4	I137 Y138 P227 V229	P135-I137 HydrophobicContact CB-CG2 4.35Å; P135-I137 PolarHBondContact O-N 3.34Å; P135-Y138 HydrophobicContact CB-CD2 4.16Å; P135-Y138 HydrophobicContact CB-CE2 4.46Å; P135-Y138 HydrophobicContact CG-CD2 4.27Å; P135-Y138 HydrophobicContact CG-CE2 4.19Å; P135-Y138 WeakPolarHBondContact O-CB 3.48Å; P135-Y138 WeakPolarHBondContact O-CD2 3.39Å; P135-Y138 PolarHBondContact O-N 2.92Å; P135-P227 VanDerWaalsContact CD-CG 3.41Å; P135-P227 HydrophobicContact CG-CB 4.49Å; P135-P227 HydrophobicContact CG-CG 3.97Å; P135-V229 HydrophobicContact CB-CG2 4.5Å; P135-V229 HydrophobicContact CG-CG2 4.11Å
136	P	83.9	Confident	80.1	Confident	101 Å²	101	49.7 Å²	49.7	66%	0.656	30%	0.296	S	S	*	.	H	α-helix	trans	-55.2	-25.3	-172.4	-29.7	35.8	0	0	0	116	Y138 G139 N140	P136-Y138 PolarHBondContact O-N 2.81Å; P136-G139 PolarHBondContact O-N 3.26Å; P136-N140 WeakPolarHBondContact O-CB 3.46Å; P136-N140 PolarHBondContact O-N 2.89Å; P136-N140 PolarHBondContact O-ND2 3.04Å
137	I	85.8	Confident	80.2	Confident	41 Å²	41	48 Å²	48	21%	0.21	28%	0.281	C	S	.	.	H	α-helix	trans	-56.4	-36.6	176.1	-162	75.7	0	0	0	112.2	P135 N140 A141 V229 P230 I232 I234	P135-I137 HydrophobicContact CB-CG2 4.35Å; P135-I137 PolarHBondContact O-N 3.34Å; I137-N140 PolarHBondContact O-N 3.12Å; I137-A141 WeakPolarHBondContact O-CB 3.48Å; I137-A141 PolarHBondContact O-N 2.73Å; I137-V229 HydrophobicContact CG2-CG1 4.3Å; I137-P230 HydrophobicContact CG2-CG 4.16Å; I137-I232 HydrophobicContact CD1-CD1 4.47Å; I137-I232 HydrophobicContact CD1-CG1 4.15Å; I137-I232 HydrophobicContact CG1-CD1 3.87Å; I137-I232 HydrophobicContact CG1-CG1 3.75Å; I137-I234 HydrophobicContact CD1-CD1 3.55Å; I137-I234 HydrophobicContact CD1-CG1 4.2Å; I137-I234 HydrophobicContact CG1-CD1 4.09Å
138	Y	87.9	Confident	79.6	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-65.5	-53.1	178	-75.4	-96.3	0	0	0	111.5	L134 P135 P136 N140 A141 I142 V191 L194 A195 P227 P228	L134-Y138 HydrophobicContact CB-CD2 4.35Å; L134-Y138 HydrophobicContact CB-CG 4.25Å; L134-Y138 HydrophobicContact CD1-CD1 4.34Å; L134-Y138 HydrophobicContact CD1-CG 4.32Å; L134-Y138 HydrophobicContact CD2-CD1 4.39Å; L134-Y138 HydrophobicContact CD2-CD2 4.48Å; L134-Y138 HydrophobicContact CD2-CE1 4.47Å; L134-Y138 HydrophobicContact CD2-CG 4.37Å; P135-Y138 HydrophobicContact CB-CD2 4.16Å; P135-Y138 HydrophobicContact CB-CE2 4.46Å; P135-Y138 HydrophobicContact CG-CD2 4.27Å; P135-Y138 HydrophobicContact CG-CE2 4.19Å; P135-Y138 WeakPolarHBondContact O-CB 3.48Å; P135-Y138 WeakPolarHBondContact O-CD2 3.39Å; P135-Y138 PolarHBondContact O-N 2.92Å; P136-Y138 PolarHBondContact O-N 2.81Å; Y138-N140 VanDerWaalsContact C-N 3.26Å; Y138-N140 PolarHBondContact O-N 3.39Å; Y138-A141 PolarHBondContact O-N 2.85Å; Y138-I142 WeakPolarHBondContact O-CG1 3.32Å; Y138-I142 PolarHBondContact O-N 3.39Å; Y138-V191 HydrophobicContact CD1-CB 4.28Å; Y138-V191 HydrophobicContact CD1-CG1 3.99Å; Y138-V191 HydrophobicContact CD1-CG2 4.16Å; Y138-V191 HydrophobicContact CE1-CG1 3.98Å; Y138-V191 WeakPolarHBondContact CE1-O 3.47Å; Y138-L194 HydrophobicContact CD1-CB 3.85Å; Y138-L194 HydrophobicContact CD1-CD1 3.98Å; Y138-L194 HydrophobicContact CE1-CB 3.56Å; Y138-A195 HydrophobicContact CE1-CB 4.35Å; Y138-A195 WeakPolarHBondContact OH-CA 3.48Å; Y138-A195 WeakPolarHBondContact OH-CB 3.23Å; Y138-A195 PolarHBondContact OH-N 3.19Å; Y138-P227 HydrophobicContact CE2-CB 4.3Å; Y138-P228 PolarHBondContact OH-O 3.22Å
139	G	83.9	Confident	79	Confident	33 Å²	33	61 Å²	61	34%	0.34	35%	0.347	S	S	.	.	H	α-helix	trans	-62.7	-33.6	178.1	0	0	0	0	0	112.7	P136 R143	P136-G139 PolarHBondContact O-N 3.26Å; G139-R143 VanDerWaalsContact O-CB 3.26Å; G139-R143 WeakPolarHBondContact O-CB 3.34Å; G139-R143 PolarHBondContact O-N 3.1Å
140	N	85.3	Confident	79.2	Confident	53 Å²	53	58 Å²	58	28%	0.283	34%	0.335	S	S	.	.	H	α-helix	trans	-69.6	-40.8	174.4	-69	-13.7	0	0	0	112.3	P136 I137 Y138 R143 A144 I234	P136-N140 WeakPolarHBondContact O-CB 3.46Å; P136-N140 PolarHBondContact O-N 2.89Å; P136-N140 PolarHBondContact O-ND2 3.04Å; I137-N140 PolarHBondContact O-N 3.12Å; Y138-N140 VanDerWaalsContact C-N 3.26Å; Y138-N140 PolarHBondContact O-N 3.39Å; N140-R143 PolarHBondContact O-N 2.88Å; N140-R143 PolarHBondContact OD1-NH1 3.07Å; N140-R143 PolarHBondContact OD1-NH2 3.29Å; N140-A144 WeakPolarHBondContact O-CB 3.43Å; N140-A144 PolarHBondContact O-N 3.26Å; N140-I234 HydrophobicContact CB-CD1 3.45Å; N140-I234 VanDerWaalsContact CB-CD1 3.45Å
141	A	86.4	Confident	79.4	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-67.5	-43.4	178.2	0	0	0	0	0	111.8	I137 Y138 A144 A145 I159 L194 I232 I234	I137-A141 WeakPolarHBondContact O-CB 3.48Å; I137-A141 PolarHBondContact O-N 2.73Å; Y138-A141 PolarHBondContact O-N 2.85Å; A141-A144 PolarHBondContact O-N 3.41Å; A141-A145 PolarHBondContact O-N 2.92Å; A141-A145 VanDerWaalsContact O-N 3.11Å; A141-I159 HydrophobicContact CB-CD1 4.21Å; A141-I159 HydrophobicContact CB-CG2 4.35Å; A141-L194 HydrophobicContact CB-CD1 3.73Å; A141-L194 HydrophobicContact CB-CD2 4.49Å; A141-I232 HydrophobicContact CB-CD1 4.19Å; A141-I234 HydrophobicContact CB-CD1 4.19Å
142	I	83.9	Confident	79.5	Confident	19 Å²	19	53.8 Å²	53.8	10%	0.097	32%	0.315	C	S	.	.	H	α-helix	trans	-57.2	-51.9	171.7	-63.8	160.2	0	0	0	109.7	Y138 A144 A145 T146 L151 L190 V191	Y138-I142 WeakPolarHBondContact O-CG1 3.32Å; Y138-I142 PolarHBondContact O-N 3.39Å; I142-A144 VanDerWaalsContact C-N 3.29Å; I142-A144 PolarHBondContact O-N 2.9Å; I142-A145 CarbonylContact O-C 3.08Å; I142-A145 PolarHBondContact O-N 2.8Å; I142-A145 VanDerWaalsContact O-N 3.09Å; I142-T146 PolarHBondContact O-N 2.91Å; I142-T146 PolarHBondContact O-OG1 3.39Å; I142-L151 HydrophobicContact CG2-CD2 4.31Å; I142-L190 HydrophobicContact CB-CD2 4.44Å; I142-L190 HydrophobicContact CG1-CD2 3.91Å; I142-L190 HydrophobicContact CG1-CG 4.39Å; I142-V191 HydrophobicContact CD1-CG2 3.87Å
143	R	84.1	Confident	80	Confident	147 Å²	147	49.9 Å²	49.9	56%	0.555	29%	0.288	S	S	*	.	H	α-helix	trans	-61.5	-34.5	-177.9	-163.3	-170	-45.8	105.8	8	113.2	G139 N140	G139-R143 VanDerWaalsContact O-CB 3.26Å; G139-R143 WeakPolarHBondContact O-CB 3.34Å; G139-R143 PolarHBondContact O-N 3.1Å; N140-R143 PolarHBondContact O-N 2.88Å; N140-R143 PolarHBondContact OD1-NH1 3.07Å; N140-R143 PolarHBondContact OD1-NH2 3.29Å
144	A	83.5	Confident	80.4	Confident	29 Å²	29	47.9 Å²	47.9	24%	0.24	27%	0.274	C	S	.	.	H	α-helix	trans	-70	-36.1	175.7	0	0	0	0	0	112.3	N140 A141 I142 I155 I159 I234	N140-A144 WeakPolarHBondContact O-CB 3.43Å; N140-A144 PolarHBondContact O-N 3.26Å; A141-A144 PolarHBondContact O-N 3.41Å; I142-A144 VanDerWaalsContact C-N 3.29Å; I142-A144 PolarHBondContact O-N 2.9Å; A144-I155 WeakPolarHBondContact O-CD1 3.48Å; A144-I159 HydrophobicContact CB-CD1 4.32Å; A144-I234 HydrophobicContact CB-CG2 3.55Å
145	A	83.2	Confident	80.6	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-80.8	-17.8	177.1	0	0	0	0	0	114.3	A141 I142 T147 L151 D152 I155 I156 L190	A141-A145 PolarHBondContact O-N 2.92Å; A141-A145 VanDerWaalsContact O-N 3.11Å; I142-A145 CarbonylContact O-C 3.08Å; I142-A145 PolarHBondContact O-N 2.8Å; I142-A145 VanDerWaalsContact O-N 3.09Å; A145-T147 PolarHBondContact O-N 3.49Å; A145-L151 HydrophobicContact CB-CD2 4.37Å; A145-L151 CarbonylContact O-C 2.98Å; A145-L151 WeakPolarHBondContact O-CA 3.44Å; A145-D152 PolarHBondContact O-N 3.39Å; A145-I155 HydrophobicContact CB-CB 4.48Å; A145-I155 HydrophobicContact CB-CG2 4.36Å; A145-I156 HydrophobicContact CB-CD1 4.39Å; A145-I156 HydrophobicContact CB-CG1 3.73Å; A145-L190 HydrophobicContact CB-CD2 4.36Å
146	T	81.8	Confident	80.9	Confident	80 Å²	80	46.9 Å²	46.9	49%	0.491	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	122.7	-178.3	-61.9	0	0	0	0	112.8	I142 L151	I142-T146 PolarHBondContact O-N 2.91Å; I142-T146 PolarHBondContact O-OG1 3.39Å; T146-L151 WeakPolarHBondContact OG1-CD2 3.18Å
147	T	75.3	Confident	80.9	Confident	55 Å²	55	43.1 Å²	43.1	34%	0.337	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	175.1	169.9	70.9	0	0	0	0	111.1	A145 Y149 G150 D152	A145-T147 PolarHBondContact O-N 3.49Å; T147-Y149 PolarHBondContact O-N 2.95Å; T147-Y149 PolarHBondContact OG1-N 2.88Å; T147-G150 PolarHBondContact N-O 3.33Å; T147-G150 PolarHBondContact O-N 3.45Å; T147-G150 PolarHBondContact OG1-O 3.49Å; T147-D152 HydrophobicContact CG2-CB 3.76Å
148	S	65.4	Low	81	Confident	103 Å²	103	46.6 Å²	46.6	72%	0.72	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-10.5	175.3	52.7	0	0	0	0	115.2
149	Y	63	Low	81.1	Confident	181 Å²	181	46.6 Å²	46.6	71%	0.71	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117	-1.3	-177.2	-54.4	-70.6	0	0	0	113.6	T147 W184	T147-Y149 PolarHBondContact O-N 2.95Å; T147-Y149 PolarHBondContact OG1-N 2.88Å; Y149-W184 WeakPolarHBondContact O-CZ3 3.36Å
150	G	73.7	Confident	81.4	Confident	30 Å²	30	45 Å²	45	31%	0.309	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	132.2	-164.1	-175.2	0	0	0	0	0	112.3	T147	T147-G150 PolarHBondContact N-O 3.33Å; T147-G150 PolarHBondContact O-N 3.45Å; T147-G150 PolarHBondContact OG1-O 3.49Å
151	L	76	Confident	81.5	Confident	13 Å²	13	47.9 Å²	47.9	7%	0.068	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	128.7	174.3	-58.3	-175.9	0	0	0	110.8	I142 A145 T146 S153 I156 F185 P187 L190	I142-L151 HydrophobicContact CG2-CD2 4.31Å; A145-L151 HydrophobicContact CB-CD2 4.37Å; A145-L151 CarbonylContact O-C 2.98Å; A145-L151 WeakPolarHBondContact O-CA 3.44Å; T146-L151 WeakPolarHBondContact OG1-CD2 3.18Å; L151-S153 PolarHBondContact O-N 3.2Å; L151-I156 HydrophobicContact CB-CD1 3.98Å; L151-I156 HydrophobicContact CD1-CD1 4.45Å; L151-F185 HydrophobicContact CD1-CB 4.11Å; L151-P187 HydrophobicContact CD1-CG 4.41Å; L151-L190 HydrophobicContact CD1-CB 4.21Å; L151-L190 HydrophobicContact CD1-CD2 3.92Å
152	D	78.3	Confident	81.7	Confident	25 Å²	25	49 Å²	49	13%	0.134	25%	0.253	C	S	.	.			trans	-80.2	109.8	178.8	-174.2	-29.6	0	0	0	111.1	A145 T147 S154 I155 I156	A145-D152 PolarHBondContact O-N 3.39Å; T147-D152 HydrophobicContact CG2-CB 3.76Å; D152-S154 PolarHBondContact O-N 3.27Å; D152-S154 WeakPolarHBondContact OD1-CA 3.43Å; D152-S154 VanDerWaalsContact OD1-CB 3.29Å; D152-S154 WeakPolarHBondContact OD1-CB 3.4Å; D152-S154 PolarHBondContact OD1-N 3.33Å; D152-S154 PolarHBondContact OD1-OG 2.96Å; D152-I155 HydrophobicContact CB-CB 4.3Å; D152-I155 HydrophobicContact CB-CD1 3.96Å; D152-I155 HydrophobicContact CB-CG1 4.03Å; D152-I155 PolarHBondContact O-N 2.73Å; D152-I155 VanDerWaalsContact O-N 3.16Å; D152-I155 PolarHBondContact OD1-N 3.33Å; D152-I156 WeakPolarHBondContact O-CG1 3.2Å; D152-I156 PolarHBondContact O-N 3.26Å
153	S	82.4	Confident	81.9	Confident	21 Å²	21	48.2 Å²	48.2	15%	0.147	25%	0.25	C	C	.	.	H	α-helix	trans	-59.8	-27	178.9	-65	0	0	0	0	113.8	L151 Y157 W174 G183	L151-S153 PolarHBondContact O-N 3.2Å; S153-Y157 WeakPolarHBondContact O-CB 3.35Å; S153-Y157 PolarHBondContact O-N 3.47Å; S153-W174 WeakPolarHBondContact O-CH2 3.43Å; S153-G183 PolarHBondContact OG-O 2.99Å
154	S	81.8	Confident	81.9	Confident	17 Å²	17	48 Å²	48	12%	0.119	26%	0.26	C	S	.	.	H	α-helix	trans	-72.2	-39.2	175.7	75	0	0	0	0	111.9	D152 Y157 E158 A338 N341	D152-S154 PolarHBondContact O-N 3.27Å; D152-S154 WeakPolarHBondContact OD1-CA 3.43Å; D152-S154 VanDerWaalsContact OD1-CB 3.29Å; D152-S154 WeakPolarHBondContact OD1-CB 3.4Å; D152-S154 PolarHBondContact OD1-N 3.33Å; D152-S154 PolarHBondContact OD1-OG 2.96Å; S154-Y157 PolarHBondContact O-N 2.89Å; S154-E158 PolarHBondContact O-N 2.94Å; S154-A338 VanDerWaalsContact CB-O 3.32Å; S154-A338 WeakPolarHBondContact CB-O 3.42Å; S154-N341 PolarHBondContact OG-ND2 3.15Å
155	I	84.6	Confident	82	Confident	36 Å²	36	47.2 Å²	47.2	19%	0.185	25%	0.251	C	S	.	.	H	α-helix	trans	-70.7	-38.5	175	-56.8	177.8	0	0	0	110.4	A144 A145 D152 Y157 E158 I159 P235	A144-I155 WeakPolarHBondContact O-CD1 3.48Å; A145-I155 HydrophobicContact CB-CB 4.48Å; A145-I155 HydrophobicContact CB-CG2 4.36Å; D152-I155 HydrophobicContact CB-CB 4.3Å; D152-I155 HydrophobicContact CB-CD1 3.96Å; D152-I155 HydrophobicContact CB-CG1 4.03Å; D152-I155 PolarHBondContact O-N 2.73Å; D152-I155 VanDerWaalsContact O-N 3.16Å; D152-I155 PolarHBondContact OD1-N 3.33Å; I155-Y157 VanDerWaalsContact C-N 3.3Å; I155-Y157 PolarHBondContact O-N 3.46Å; I155-E158 PolarHBondContact O-N 2.95Å; I155-I159 HydrophobicContact CG2-CD1 4Å; I155-I159 HydrophobicContact CG2-CG1 4.5Å; I155-I159 VanDerWaalsContact O-CG1 3.28Å; I155-I159 WeakPolarHBondContact O-CG1 3.35Å; I155-I159 PolarHBondContact O-N 3.07Å; I155-P235 HydrophobicContact CG2-CG 4.38Å
156	I	88.1	Confident	82.1	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-58.8	-44	171.7	-67.1	174.3	0	0	0	110.4	A145 L151 D152 I159 F160 W174 F185 L190	A145-I156 HydrophobicContact CB-CD1 4.39Å; A145-I156 HydrophobicContact CB-CG1 3.73Å; L151-I156 HydrophobicContact CB-CD1 3.98Å; L151-I156 HydrophobicContact CD1-CD1 4.45Å; D152-I156 WeakPolarHBondContact O-CG1 3.2Å; D152-I156 PolarHBondContact O-N 3.26Å; I156-I159 PolarHBondContact O-N 3.07Å; I156-F160 HydrophobicContact CG2-CD1 3.99Å; I156-F160 HydrophobicContact CG2-CD2 4.37Å; I156-F160 HydrophobicContact CG2-CE1 3.51Å; I156-F160 HydrophobicContact CG2-CE2 3.92Å; I156-F160 HydrophobicContact CG2-CG 4.38Å; I156-F160 HydrophobicContact CG2-CZ 3.44Å; I156-F160 VanDerWaalsContact CG2-CZ 3.44Å; I156-F160 WeakPolarHBondContact O-CB 3.4Å; I156-F160 VanDerWaalsContact O-CD1 3.24Å; I156-F160 WeakPolarHBondContact O-CD1 3.48Å; I156-F160 WeakPolarHBondContact O-CG 3.44Å; I156-F160 PolarHBondContact O-N 3.17Å; I156-W174 HydrophobicContact CB-CZ3 4.35Å; I156-W174 HydrophobicContact CG2-CH2 4.39Å; I156-W174 HydrophobicContact CG2-CZ3 3.8Å; I156-F185 HydrophobicContact CD1-CB 3.61Å; I156-F185 HydrophobicContact CD1-CD2 3.64Å; I156-F185 HydrophobicContact CD1-CG 3.74Å; I156-F185 HydrophobicContact CG2-CD2 4.22Å; I156-F185 HydrophobicContact CG2-CE2 4.09Å; I156-L190 HydrophobicContact CD1-CD1 4.16Å; I156-L190 HydrophobicContact CD1-CD2 4.11Å; I156-L190 HydrophobicContact CG1-CD1 4.05Å; I156-L190 HydrophobicContact CG1-CD2 4.14Å; I156-L190 HydrophobicContact CG2-CD1 3.84Å
157	Y	84.7	Confident	82	Confident	22 Å²	22	48.4 Å²	48.4	9%	0.086	26%	0.261	C	S	.	.	H	α-helix	trans	-66.2	-38.2	177.3	-178.4	-113.6	0	0	0	112.9	S153 S154 I155 F160 R161 W334 A338	S153-Y157 WeakPolarHBondContact O-CB 3.35Å; S153-Y157 PolarHBondContact O-N 3.47Å; S154-Y157 PolarHBondContact O-N 2.89Å; I155-Y157 VanDerWaalsContact C-N 3.3Å; I155-Y157 PolarHBondContact O-N 3.46Å; Y157-F160 PolarHBondContact O-N 2.65Å; Y157-R161 VanDerWaalsContact O-CB 3.32Å; Y157-R161 WeakPolarHBondContact O-CB 3.43Å; Y157-R161 PolarHBondContact O-N 3.42Å; Y157-W334 HydrophobicContact CE1-CE3 4.32Å; Y157-W334 AromaticContact CE2-CE3 3.79Å; Y157-W334 HydrophobicContact CE2-CE3 3.79Å; Y157-W334 AromaticContact CE2-CZ3 3.61Å; Y157-W334 HydrophobicContact CE2-CZ3 3.61Å; Y157-W334 AromaticContact CZ-CE3 3.48Å; Y157-W334 VanDerWaalsContact CZ-CE3 3.48Å; Y157-W334 AromaticContact CZ-CZ3 3.81Å; Y157-A338 HydrophobicContact CD1-CB 3.61Å; Y157-A338 HydrophobicContact CE1-CB 4.22Å; Y157-A338 HydrophobicContact CG-CB 4.25Å
158	E	87	Confident	82.2	Confident	114 Å²	114	51.2 Å²	51.2	53%	0.533	27%	0.27	S	S	.	.	H	α-helix	trans	-60.4	-46	172.8	-169	-178.1	-179.9	0	0	111.5	S154 I155 F160 R161 S162 P235	S154-E158 PolarHBondContact O-N 2.94Å; I155-E158 PolarHBondContact O-N 2.95Å; E158-F160 PolarHBondContact O-N 2.79Å; E158-R161 PolarHBondContact O-N 3.23Å; E158-S162 PolarHBondContact O-N 3.42Å; E158-S162 VanDerWaalsContact O-N 3.1Å; E158-P235 HydrophobicContact CB-CG 4.35Å; E158-P235 VanDerWaalsContact CD-CG 3.41Å; E158-P235 HydrophobicContact CG-CG 3.95Å; E158-P235 VanDerWaalsContact OE2-CG 3.29Å; E158-P235 WeakPolarHBondContact OE2-CG 3.36Å
159	I	89.7	Confident	83	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-59.9	-44.2	174.6	-68.4	165.2	0	0	0	110.7	A141 A144 I155 I156 S162 L194 I232 P235	A141-I159 HydrophobicContact CB-CD1 4.21Å; A141-I159 HydrophobicContact CB-CG2 4.35Å; A144-I159 HydrophobicContact CB-CD1 4.32Å; I155-I159 HydrophobicContact CG2-CD1 4Å; I155-I159 HydrophobicContact CG2-CG1 4.5Å; I155-I159 VanDerWaalsContact O-CG1 3.28Å; I155-I159 WeakPolarHBondContact O-CG1 3.35Å; I155-I159 PolarHBondContact O-N 3.07Å; I156-I159 PolarHBondContact O-N 3.07Å; I159-S162 WeakPolarHBondContact O-CB 3.23Å; I159-S162 PolarHBondContact O-N 3.04Å; I159-S162 PolarHBondContact O-OG 3.48Å; I159-L194 HydrophobicContact CG2-CD2 4.22Å; I159-I232 HydrophobicContact CG2-CB 4.37Å; I159-I232 HydrophobicContact CG2-CD1 3.51Å; I159-I232 HydrophobicContact CG2-CG2 4.49Å; I159-I232 WeakPolarHBondContact O-CG2 3.39Å; I159-P235 HydrophobicContact CG1-CG 4.31Å
160	F	91.2	Very high	84.1	Confident	1 Å²	1	38.1 Å²	38.1	0%	0.004	20%	0.204	C	C	.	.	H	α-helix	trans	-67	-42.8	178.9	-75.4	15.8	0	0	0	111.8	I156 Y157 E158 S162 S163 L170 W174 F185 L190 A193 L194 I197	I156-F160 HydrophobicContact CG2-CD1 3.99Å; I156-F160 HydrophobicContact CG2-CD2 4.37Å; I156-F160 HydrophobicContact CG2-CE1 3.51Å; I156-F160 HydrophobicContact CG2-CE2 3.92Å; I156-F160 HydrophobicContact CG2-CG 4.38Å; I156-F160 HydrophobicContact CG2-CZ 3.44Å; I156-F160 VanDerWaalsContact CG2-CZ 3.44Å; I156-F160 WeakPolarHBondContact O-CB 3.4Å; I156-F160 VanDerWaalsContact O-CD1 3.24Å; I156-F160 WeakPolarHBondContact O-CD1 3.48Å; I156-F160 WeakPolarHBondContact O-CG 3.44Å; I156-F160 PolarHBondContact O-N 3.17Å; Y157-F160 PolarHBondContact O-N 2.65Å; E158-F160 PolarHBondContact O-N 2.79Å; F160-S162 PolarHBondContact O-N 3.4Å; F160-S163 WeakPolarHBondContact O-CB 3.28Å; F160-S163 PolarHBondContact O-N 3.3Å; F160-S163 PolarHBondContact O-OG 2.91Å; F160-L170 HydrophobicContact CB-CD1 4.45Å; F160-L170 HydrophobicContact CB-CD2 4.17Å; F160-L170 WeakPolarHBondContact O-CD1 3.42Å; F160-W174 AromaticContact CD2-CE3 3.89Å; F160-W174 HydrophobicContact CD2-CE3 3.89Å; F160-W174 HydrophobicContact CD2-CZ3 4.38Å; F160-W174 AromaticContact CE2-CE3 3.76Å; F160-W174 HydrophobicContact CE2-CE3 3.76Å; F160-W174 HydrophobicContact CE2-CZ3 4.32Å; F160-F185 HydrophobicContact CE2-CZ 4.21Å; F160-F185 HydrophobicContact CZ-CE1 4.47Å; F160-F185 HydrophobicContact CZ-CZ 4.23Å; F160-L190 HydrophobicContact CE1-CD1 3.75Å; F160-L190 HydrophobicContact CZ-CD1 4.07Å; F160-A193 HydrophobicContact CE1-CB 4.19Å; F160-A193 HydrophobicContact CE2-CB 4.01Å; F160-A193 HydrophobicContact CZ-CB 3.38Å; F160-L194 HydrophobicContact CE1-CD2 4.29Å; F160-I197 HydrophobicContact CB-CD1 4.22Å; F160-I197 HydrophobicContact CD1-CD1 3.47Å; F160-I197 VanDerWaalsContact CD1-CD1 3.47Å; F160-I197 HydrophobicContact CD2-CD1 4.12Å; F160-I197 HydrophobicContact CE1-CD1 3.83Å; F160-I197 HydrophobicContact CE2-CD1 4.44Å; F160-I197 HydrophobicContact CG-CD1 3.66Å; F160-I197 HydrophobicContact CZ-CD1 4.34Å
161	R	88.1	Confident	84.5	Confident	113 Å²	113	41 Å²	41	43%	0.426	21%	0.206	S	C	.	.	H	α-helix	trans	-62.2	-29.7	178.3	-170.1	172.5	-176.4	171.2	2.7	112.2	Y157 E158 S163 I329	Y157-R161 VanDerWaalsContact O-CB 3.32Å; Y157-R161 WeakPolarHBondContact O-CB 3.43Å; Y157-R161 PolarHBondContact O-N 3.42Å; E158-R161 PolarHBondContact O-N 3.23Å; R161-S163 PolarHBondContact O-N 2.89Å; R161-I329 PolarHBondContact NH2-O 2.96Å; R161-I329 VanDerWaalsContact NH2-O 3.1Å
162	S	90.1	Very high	84.7	Confident	22 Å²	22	42.9 Å²	42.9	15%	0.154	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-10.2	175	82.6	0	0	0	0	115.2	E158 I159 F160 N164 I232 Q233	E158-S162 PolarHBondContact O-N 3.42Å; E158-S162 VanDerWaalsContact O-N 3.1Å; I159-S162 WeakPolarHBondContact O-CB 3.23Å; I159-S162 PolarHBondContact O-N 3.04Å; I159-S162 PolarHBondContact O-OG 3.48Å; F160-S162 PolarHBondContact O-N 3.4Å; S162-N164 VanDerWaalsContact C-N 3.28Å; S162-N164 PolarHBondContact O-N 3.39Å; S162-I232 WeakPolarHBondContact OG-CA 3.49Å; S162-I232 WeakPolarHBondContact OG-CB 3.39Å; S162-Q233 PolarHBondContact OG-N 2.86Å; S162-Q233 PolarHBondContact OG-O 3.34Å
163	S	88.7	Confident	85	Confident	4 Å²	4	41.7 Å²	41.7	3%	0.028	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-11.3	-179.7	69.8	0	0	0	0	114.9	F160 R161 L165 Q201 M231	F160-S163 WeakPolarHBondContact O-CB 3.28Å; F160-S163 PolarHBondContact O-N 3.3Å; F160-S163 PolarHBondContact O-OG 2.91Å; R161-S163 PolarHBondContact O-N 2.89Å; S163-L165 PolarHBondContact O-N 3.48Å; S163-L165 VanDerWaalsContact O-N 3.15Å; S163-L165 WeakPolarHBondContact OG-CG 3.46Å; S163-L165 PolarHBondContact OG-N 3.02Å; S163-Q201 PolarHBondContact O-NE2 2.85Å; S163-M231 WeakPolarHBondContact CA-O 3.47Å
164	N	84.1	Confident	85.2	Confident	142 Å²	142	42 Å²	42	76%	0.759	21%	0.206	S	C	*	.			trans	58.2	14.4	-171.8	-53.2	-51.3	0	0	0	115.3	S162	S162-N164 VanDerWaalsContact C-N 3.28Å; S162-N164 PolarHBondContact O-N 3.39Å
165	L	85.4	Confident	85.1	Confident	13 Å²	13	43.8 Å²	43.8	7%	0.068	22%	0.219	C	C	.	.			trans	-69.4	157.9	168.9	-63.6	-179	0	0	0	111.2	S163 L170 I173 I197 V200 Q201	S163-L165 PolarHBondContact O-N 3.48Å; S163-L165 VanDerWaalsContact O-N 3.15Å; S163-L165 WeakPolarHBondContact OG-CG 3.46Å; S163-L165 PolarHBondContact OG-N 3.02Å; L165-L170 HydrophobicContact CB-CD2 3.9Å; L165-L170 HydrophobicContact CB-CG 4.04Å; L165-L170 HydrophobicContact CD1-CD2 3.96Å; L165-L170 HydrophobicContact CG-CD2 4.47Å; L165-I173 HydrophobicContact CD1-CD1 4.1Å; L165-I197 HydrophobicContact CD1-CB 4.27Å; L165-I197 HydrophobicContact CD1-CG1 4.15Å; L165-I197 HydrophobicContact CD1-CG2 3.95Å; L165-V200 HydrophobicContact CD1-CB 3.81Å; L165-V200 HydrophobicContact CD1-CG1 3.96Å; L165-V200 HydrophobicContact CD1-CG2 4.16Å; L165-V200 HydrophobicContact CD2-CB 3.98Å; L165-V200 HydrophobicContact CD2-CG1 3.49Å; L165-V200 VanDerWaalsContact CD2-CG1 3.49Å; L165-V200 HydrophobicContact CG-CG1 4.36Å; L165-Q201 HydrophobicContact CD1-CG 4.43Å; L165-Q201 HydrophobicContact CD2-CG 3.75Å; L165-Q201 HydrophobicContact CG-CG 4.15Å
166	S	84.8	Confident	84.9	Confident	53 Å²	53	43.3 Å²	43.3	37%	0.371	22%	0.217	S	C	.	.			trans	-64	143.8	173.7	73.5	0	0	0	0	110.3	E168 T169 L170	S166-E168 PolarHBondContact O-N 3.45Å; S166-T169 WeakPolarHBondContact O-CA 3.06Å; S166-T169 WeakPolarHBondContact O-CB 3.23Å; S166-T169 PolarHBondContact O-N 2.89Å; S166-T169 PolarHBondContact OG-N 3.45Å; S166-T169 PolarHBondContact OG-OG1 3.31Å; S166-L170 PolarHBondContact O-N 3.28Å
167	T	80.4	Confident	84.6	Confident	51 Å²	51	43.5 Å²	43.5	31%	0.313	22%	0.218	S	C	.	.	H	α-helix	trans	-59.9	-34.2	-179.2	8.4	0	0	0	0	112.1	L170 Y171 W334	T167-L170 PolarHBondContact O-N 2.75Å; T167-Y171 PolarHBondContact O-N 3.42Å; T167-W334 HydrophobicContact CG2-CD2 3.97Å; T167-W334 HydrophobicContact CG2-CE3 4.14Å; T167-W334 HydrophobicContact CG2-CH2 3.52Å; T167-W334 HydrophobicContact CG2-CZ2 3.4Å; T167-W334 VanDerWaalsContact CG2-CZ2 3.4Å; T167-W334 HydrophobicContact CG2-CZ3 3.91Å; T167-W334 WeakPolarHBondContact O-CH2 3.39Å
168	E	79.5	Confident	84.3	Confident	115 Å²	115	43.1 Å²	43.1	54%	0.537	22%	0.219	S	C	.	.	H	α-helix	trans	-56.2	-49.6	168	-173.2	-161.3	136.2	0	0	112.5	S166 L170 Y171 H172 S213	S166-E168 PolarHBondContact O-N 3.45Å; E168-L170 VanDerWaalsContact C-N 3.29Å; E168-L170 PolarHBondContact O-N 3.12Å; E168-Y171 PolarHBondContact O-N 3.07Å; E168-H172 PolarHBondContact O-N 3.08Å; E168-S213 VanDerWaalsContact OE1-CB 3.3Å; E168-S213 WeakPolarHBondContact OE1-CB 3.12Å; E168-S213 PolarHBondContact OE1-OG 3.16Å
169	T	82.2	Confident	83.2	Confident	4 Å²	4	39.1 Å²	39.1	3%	0.025	20%	0.203	C	C	.	.	H	α-helix	trans	-64.5	-36	178.3	-51.6	0	0	0	0	111.2	S166 H172 I173 V200 I216	S166-T169 WeakPolarHBondContact O-CA 3.06Å; S166-T169 WeakPolarHBondContact O-CB 3.23Å; S166-T169 PolarHBondContact O-N 2.89Å; S166-T169 PolarHBondContact OG-N 3.45Å; S166-T169 PolarHBondContact OG-OG1 3.31Å; T169-H172 PolarHBondContact O-N 3.02Å; T169-I173 HydrophobicContact CG2-CD1 4.12Å; T169-I173 VanDerWaalsContact O-CG1 3.29Å; T169-I173 WeakPolarHBondContact O-CG1 3.42Å; T169-I173 PolarHBondContact O-N 3.46Å; T169-V200 HydrophobicContact CG2-CG1 3.86Å; T169-V200 HydrophobicContact CG2-CG2 4.14Å; T169-I216 HydrophobicContact CG2-CD1 4.21Å
170	L	85.6	Confident	81.7	Confident	5 Å²	5	42.3 Å²	42.3	3%	0.026	22%	0.222	C	C	.	.	H	α-helix	trans	-68.3	-40.7	176.3	-66.4	-179.6	0	0	0	112.4	F160 L165 S166 T167 E168 H172 W174 I197	F160-L170 HydrophobicContact CB-CD1 4.45Å; F160-L170 HydrophobicContact CB-CD2 4.17Å; F160-L170 WeakPolarHBondContact O-CD1 3.42Å; L165-L170 HydrophobicContact CB-CD2 3.9Å; L165-L170 HydrophobicContact CB-CG 4.04Å; L165-L170 HydrophobicContact CD1-CD2 3.96Å; L165-L170 HydrophobicContact CG-CD2 4.47Å; S166-L170 PolarHBondContact O-N 3.28Å; T167-L170 PolarHBondContact O-N 2.75Å; E168-L170 VanDerWaalsContact C-N 3.29Å; E168-L170 PolarHBondContact O-N 3.12Å; L170-H172 VanDerWaalsContact C-N 3.34Å; L170-W174 VanDerWaalsContact O-CB 3.3Å; L170-W174 WeakPolarHBondContact O-CB 3.47Å; L170-W174 PolarHBondContact O-N 2.68Å; L170-I197 HydrophobicContact CD2-CD1 4.34Å; L170-I197 HydrophobicContact CD2-CG1 4.36Å
171	Y	81.2	Confident	80.1	Confident	89 Å²	89	48 Å²	48	35%	0.349	24%	0.244	S	C	.	.	H	α-helix	trans	-60.7	-43.1	170.3	-92.2	-26.8	0	0	0	111.6	T167 E168 W174 S175 W334 F337	T167-Y171 PolarHBondContact O-N 3.42Å; E168-Y171 PolarHBondContact O-N 3.07Å; Y171-W174 PolarHBondContact O-N 3.3Å; Y171-S175 WeakPolarHBondContact O-CB 3.48Å; Y171-S175 PolarHBondContact O-N 3.31Å; Y171-S175 PolarHBondContact O-OG 3.11Å; Y171-W334 AromaticContact CD1-CH2 3.5Å; Y171-W334 HydrophobicContact CD1-CH2 3.5Å; Y171-W334 HydrophobicContact CD1-CZ2 4.46Å; Y171-W334 AromaticContact CD1-CZ3 3.68Å; Y171-W334 HydrophobicContact CD1-CZ3 3.68Å; Y171-W334 AromaticContact CD2-CH2 3.25Å; Y171-W334 HydrophobicContact CD2-CH2 3.25Å; Y171-W334 AromaticContact CD2-CZ2 3.46Å; Y171-W334 HydrophobicContact CD2-CZ2 3.46Å; Y171-W334 VanDerWaalsContact CD2-CZ2 3.46Å; Y171-W334 HydrophobicContact CD2-CZ3 4.18Å; Y171-W334 HydrophobicContact CE1-CE3 4.02Å; Y171-W334 AromaticContact CE1-CH2 3.41Å; Y171-W334 HydrophobicContact CE1-CH2 3.41Å; Y171-W334 VanDerWaalsContact CE1-CH2 3.41Å; Y171-W334 HydrophobicContact CE1-CZ2 4.18Å; Y171-W334 AromaticContact CE1-CZ3 3.29Å; Y171-W334 HydrophobicContact CE1-CZ3 3.29Å; Y171-W334 AromaticContact CE2-CE2 3.85Å; Y171-W334 HydrophobicContact CE2-CE3 4.45Å; Y171-W334 AromaticContact CE2-CH2 3.16Å; Y171-W334 HydrophobicContact CE2-CH2 3.16Å; Y171-W334 AromaticContact CE2-CZ2 3.11Å; Y171-W334 HydrophobicContact CE2-CZ2 3.11Å; Y171-W334 AromaticContact CE2-CZ3 3.86Å; Y171-W334 HydrophobicContact CE2-CZ3 3.86Å; Y171-W334 AromaticContact CG-CH2 3.4Å; Y171-W334 HydrophobicContact CG-CH2 3.4Å; Y171-W334 VanDerWaalsContact CG-CH2 3.4Å; Y171-W334 HydrophobicContact CG-CZ2 4.12Å; Y171-W334 HydrophobicContact CG-CZ3 4.09Å; Y171-W334 AromaticContact CZ-CE2 3.96Å; Y171-W334 AromaticContact CZ-CE3 3.81Å; Y171-W334 AromaticContact CZ-CH2 3.21Å; Y171-W334 AromaticContact CZ-CZ2 3.49Å; Y171-W334 VanDerWaalsContact CZ-CZ2 3.49Å; Y171-W334 AromaticContact CZ-CZ3 3.37Å; Y171-F337 HydrophobicContact CE1-CD1 4.05Å; Y171-F337 AromaticContact CE1-CE1 3.95Å; Y171-F337 HydrophobicContact CE1-CE1 3.95Å; Y171-F337 HydrophobicContact CE1-CZ 4.4Å
172	H	81.1	Confident	78.6	Confident	54 Å²	54	46.8 Å²	46.8	25%	0.25	25%	0.251	C	S	.	.	H	α-helix	trans	-59.3	-52.8	177.7	-174.4	51.3	0	0	0	111.3	E168 T169 L170 W174 S175 L176 S213 I216	E168-H172 PolarHBondContact O-N 3.08Å; T169-H172 PolarHBondContact O-N 3.02Å; L170-H172 VanDerWaalsContact C-N 3.34Å; H172-W174 VanDerWaalsContact C-N 3.32Å; H172-W174 PolarHBondContact O-N 3.26Å; H172-S175 PolarHBondContact O-N 3.27Å; H172-S175 PolarHBondContact O-OG 3.3Å; H172-L176 WeakPolarHBondContact NE2-CD1 3.43Å; H172-L176 WeakPolarHBondContact O-CB 3.22Å; H172-L176 WeakPolarHBondContact O-CG 3.42Å; H172-L176 PolarHBondContact O-N 3.2Å; H172-S213 PolarHBondContact CD2-O 3.32Å; H172-S213 PolarHBondContact NE2-O 3.4Å; H172-I216 PolarHBondContact NE2-O 3.47Å
173	I	85.2	Confident	77	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-56.5	-44.2	175.9	-66.7	166.7	0	0	0	111.6	L165 T169 L176 T177 A193 L196 I197 V200	L165-I173 HydrophobicContact CD1-CD1 4.1Å; T169-I173 HydrophobicContact CG2-CD1 4.12Å; T169-I173 VanDerWaalsContact O-CG1 3.29Å; T169-I173 WeakPolarHBondContact O-CG1 3.42Å; T169-I173 PolarHBondContact O-N 3.46Å; I173-L176 PolarHBondContact O-N 3.47Å; I173-T177 WeakPolarHBondContact O-CB 3.44Å; I173-T177 WeakPolarHBondContact O-CG2 3.46Å; I173-T177 PolarHBondContact O-N 2.87Å; I173-T177 PolarHBondContact O-OG1 3.24Å; I173-A193 HydrophobicContact CG2-CB 3.98Å; I173-L196 HydrophobicContact CD1-CB 4.44Å; I173-L196 HydrophobicContact CG1-CB 4.2Å; I173-L196 HydrophobicContact CG2-CB 3.98Å; I173-L196 HydrophobicContact CG2-CD1 4.18Å; I173-I197 HydrophobicContact CD1-CG1 3.74Å; I173-I197 HydrophobicContact CG2-CG1 4.35Å; I173-V200 HydrophobicContact CD1-CG2 3.67Å; I173-V200 HydrophobicContact CG1-CG2 4.48Å
174	W	85	Confident	76	Confident	26 Å²	26	53.3 Å²	53.3	10%	0.098	28%	0.284	C	S	.	.	H	α-helix	trans	-59.6	-49.8	177.3	-173.7	-70.8	0	0	0	111.3	S153 I156 F160 L170 Y171 H172 L176 T177 S178 F185	S153-W174 WeakPolarHBondContact O-CH2 3.43Å; I156-W174 HydrophobicContact CB-CZ3 4.35Å; I156-W174 HydrophobicContact CG2-CH2 4.39Å; I156-W174 HydrophobicContact CG2-CZ3 3.8Å; F160-W174 AromaticContact CD2-CE3 3.89Å; F160-W174 HydrophobicContact CD2-CE3 3.89Å; F160-W174 HydrophobicContact CD2-CZ3 4.38Å; F160-W174 AromaticContact CE2-CE3 3.76Å; F160-W174 HydrophobicContact CE2-CE3 3.76Å; F160-W174 HydrophobicContact CE2-CZ3 4.32Å; L170-W174 VanDerWaalsContact O-CB 3.3Å; L170-W174 WeakPolarHBondContact O-CB 3.47Å; L170-W174 PolarHBondContact O-N 2.68Å; Y171-W174 PolarHBondContact O-N 3.3Å; H172-W174 VanDerWaalsContact C-N 3.32Å; H172-W174 PolarHBondContact O-N 3.26Å; W174-L176 VanDerWaalsContact C-N 3.27Å; W174-L176 PolarHBondContact O-N 2.92Å; W174-T177 PolarHBondContact O-N 3.35Å; W174-T177 PolarHBondContact O-OG1 3.28Å; W174-S178 PolarHBondContact O-N 3.06Å; W174-S178 PolarHBondContact O-OG 3.19Å; W174-F185 AromaticContact CD2-CE2 3.76Å; W174-F185 HydrophobicContact CD2-CE2 3.76Å; W174-F185 HydrophobicContact CD2-CZ 4.02Å; W174-F185 AromaticContact CE2-CE2 3.69Å; W174-F185 AromaticContact CE3-CE2 3.82Å; W174-F185 HydrophobicContact CE3-CE2 3.82Å; W174-F185 HydrophobicContact CE3-CZ 4.12Å; W174-F185 HydrophobicContact CG-CE2 4.47Å; W174-F185 HydrophobicContact CG-CZ 4.37Å; W174-F185 HydrophobicContact CH2-CD2 4.4Å; W174-F185 AromaticContact CH2-CE2 3.78Å; W174-F185 HydrophobicContact CH2-CE2 3.78Å; W174-F185 HydrophobicContact CZ2-CD2 4.41Å; W174-F185 AromaticContact CZ2-CE2 3.72Å; W174-F185 HydrophobicContact CZ2-CE2 3.72Å; W174-F185 AromaticContact CZ3-CE2 3.83Å; W174-F185 HydrophobicContact CZ3-CE2 3.83Å
175	S	81	Confident	75.6	Confident	56 Å²	56	47.1 Å²	47.1	39%	0.392	25%	0.25	S	C	.	.	H	α-helix	trans	-64.4	-29.7	179.3	78.3	0	0	0	0	113.7	Y171 H172 T177	Y171-S175 WeakPolarHBondContact O-CB 3.48Å; Y171-S175 PolarHBondContact O-N 3.31Å; Y171-S175 PolarHBondContact O-OG 3.11Å; H172-S175 PolarHBondContact O-N 3.27Å; H172-S175 PolarHBondContact O-OG 3.3Å; S175-T177 VanDerWaalsContact C-N 3.29Å
176	L	80.1	Confident	75.3	Confident	25 Å²	25	48.9 Å²	48.9	13%	0.131	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-10	173.7	-75.3	178.5	0	0	0	113.7	H172 I173 W174 C179 L196 I218	H172-L176 WeakPolarHBondContact NE2-CD1 3.43Å; H172-L176 WeakPolarHBondContact O-CB 3.22Å; H172-L176 WeakPolarHBondContact O-CG 3.42Å; H172-L176 PolarHBondContact O-N 3.2Å; I173-L176 PolarHBondContact O-N 3.47Å; W174-L176 VanDerWaalsContact C-N 3.27Å; W174-L176 PolarHBondContact O-N 2.92Å; L176-C179 PolarHBondContact O-SG 3.16Å; L176-C179 VanDerWaalsContact O-SG 3.39Å; L176-L196 HydrophobicContact CB-CD1 4.43Å; L176-L196 HydrophobicContact CD1-CD1 4.44Å; L176-I218 WeakPolarHBondContact O-CD1 3.48Å
177	T	82.5	Confident	75.1	Confident	4 Å²	4	48.6 Å²	48.6	3%	0.025	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.8	-26.7	-169.8	54.4	0	0	0	0	115.8	I173 W174 S175 C179 F185 E189 T192 A193 L196	I173-T177 WeakPolarHBondContact O-CB 3.44Å; I173-T177 WeakPolarHBondContact O-CG2 3.46Å; I173-T177 PolarHBondContact O-N 2.87Å; I173-T177 PolarHBondContact O-OG1 3.24Å; W174-T177 PolarHBondContact O-N 3.35Å; W174-T177 PolarHBondContact O-OG1 3.28Å; S175-T177 VanDerWaalsContact C-N 3.29Å; T177-C179 PolarHBondContact O-N 2.9Å; T177-F185 WeakPolarHBondContact OG1-CE1 3.2Å; T177-E189 VanDerWaalsContact O-CB 3.25Å; T177-E189 WeakPolarHBondContact O-CB 3.49Å; T177-E189 WeakPolarHBondContact O-CG 3.31Å; T177-T192 HydrophobicContact CG2-CG2 3.92Å; T177-A193 HydrophobicContact CG2-CB 4Å; T177-L196 HydrophobicContact CG2-CD1 3.75Å
178	S	77.8	Confident	75.2	Confident	15 Å²	15	48.7 Å²	48.7	11%	0.105	26%	0.259	C	S	.	.			trans	-77.8	56	173.3	72	0	0	0	0	112	W174	W174-S178 PolarHBondContact O-N 3.06Å; W174-S178 PolarHBondContact O-OG 3.19Å
179	C	63.2	Low	75.6	Confident	29 Å²	29	44 Å²	44	20%	0.196	24%	0.237	C	C	.	.			trans	-95.1	-8.1	-163.3	-64.2	0	0	0	0	115	L176 T177 E189	L176-C179 PolarHBondContact O-SG 3.16Å; L176-C179 VanDerWaalsContact O-SG 3.39Å; T177-C179 PolarHBondContact O-N 2.9Å; C179-E189 PolarHBondContact N-OE1 3.38Å
180	T	59.5	Low	75.9	Confident	67 Å²	67	43.8 Å²	43.8	41%	0.411	24%	0.236	S	C	.	.	S	Bend	trans	-98.1	-38.4	-178.9	-56.2	0	0	0	0	112	T186 E189	T180-T186 HydrophobicContact CG2-CG2 4.39Å; T180-E189 WeakPolarHBondContact CB-OE1 3.17Å; T180-E189 PolarHBondContact N-OE1 3.02Å; T180-E189 VanDerWaalsContact OG1-CD 3.28Å; T180-E189 PolarHBondContact OG1-OE1 3.41Å
181	R	56.9	Low	76	Confident	120 Å²	120	43.6 Å²	43.6	45%	0.453	24%	0.235	S	C	.	.	S	Bend	trans	-146	118.2	172.3	-77.2	-177.2	172.1	-172.1	-8.6	108.4	G183 W184 M434	R181-G183 PolarHBondContact O-N 3.25Å; R181-W184 HydrophobicContact CB-CB 3.96Å; R181-W184 HydrophobicContact CB-CG 4.46Å; R181-W184 PolarHBondContact O-N 3.01Å; R181-W184 VanDerWaalsContact O-O 3.12Å; R181-M434 PolarHBondContact NH2-O 2.55Å
182	P	56.2	Low	76.3	Confident	89 Å²	89	40.3 Å²	40.3	58%	0.578	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	132.6	179.3	-27.1	35.4	0	0	0	112.1	W184	P182-W184 VanDerWaalsContact C-N 3.27Å; P182-W184 PolarHBondContact O-N 3.26Å
183	G	57.3	Low	76.8	Confident	39 Å²	39	37.8 Å²	37.8	40%	0.402	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	4.3	-178.3	0	0	0	0	0	115.6	S153 R181	S153-G183 PolarHBondContact OG-O 2.99Å; R181-G183 PolarHBondContact O-N 3.25Å
184	W	67.1	Low	77	Confident	124 Å²	124	37.8 Å²	37.8	47%	0.47	21%	0.212	S	C	.	.			trans	-126.6	159.1	174.8	-71.1	73.3	0	0	0	110.8	Y149 R181 P182	Y149-W184 WeakPolarHBondContact O-CZ3 3.36Å; R181-W184 HydrophobicContact CB-CB 3.96Å; R181-W184 HydrophobicContact CB-CG 4.46Å; R181-W184 PolarHBondContact O-N 3.01Å; R181-W184 VanDerWaalsContact O-O 3.12Å; P182-W184 VanDerWaalsContact C-N 3.27Å; P182-W184 PolarHBondContact O-N 3.26Å
185	F	74.8	Confident	77.3	Confident	11 Å²	11	36.5 Å²	36.5	5%	0.048	21%	0.207	C	C	.	.			trans	-123.7	138.5	173.1	-81.3	-94.5	0	0	0	111.5	L151 I156 F160 W174 T177 E189 L190 A193	L151-F185 HydrophobicContact CD1-CB 4.11Å; I156-F185 HydrophobicContact CD1-CB 3.61Å; I156-F185 HydrophobicContact CD1-CD2 3.64Å; I156-F185 HydrophobicContact CD1-CG 3.74Å; I156-F185 HydrophobicContact CG2-CD2 4.22Å; I156-F185 HydrophobicContact CG2-CE2 4.09Å; F160-F185 HydrophobicContact CE2-CZ 4.21Å; F160-F185 HydrophobicContact CZ-CE1 4.47Å; F160-F185 HydrophobicContact CZ-CZ 4.23Å; W174-F185 AromaticContact CD2-CE2 3.76Å; W174-F185 HydrophobicContact CD2-CE2 3.76Å; W174-F185 HydrophobicContact CD2-CZ 4.02Å; W174-F185 AromaticContact CE2-CE2 3.69Å; W174-F185 AromaticContact CE3-CE2 3.82Å; W174-F185 HydrophobicContact CE3-CE2 3.82Å; W174-F185 HydrophobicContact CE3-CZ 4.12Å; W174-F185 HydrophobicContact CG-CE2 4.47Å; W174-F185 HydrophobicContact CG-CZ 4.37Å; W174-F185 HydrophobicContact CH2-CD2 4.4Å; W174-F185 AromaticContact CH2-CE2 3.78Å; W174-F185 HydrophobicContact CH2-CE2 3.78Å; W174-F185 HydrophobicContact CZ2-CD2 4.41Å; W174-F185 AromaticContact CZ2-CE2 3.72Å; W174-F185 HydrophobicContact CZ2-CE2 3.72Å; W174-F185 AromaticContact CZ3-CE2 3.83Å; W174-F185 HydrophobicContact CZ3-CE2 3.83Å; T177-F185 WeakPolarHBondContact OG1-CE1 3.2Å; F185-E189 HydrophobicContact CD1-CB 3.66Å; F185-E189 HydrophobicContact CE1-CB 4.26Å; F185-L190 HydrophobicContact CB-CB 4.48Å; F185-L190 HydrophobicContact CD1-CB 4.25Å; F185-A193 HydrophobicContact CE1-CB 4.1Å
186	T	80.1	Confident	77.7	Confident	50 Å²	50	33.9 Å²	33.9	31%	0.307	19%	0.189	S	C	.	.			trans	-82.7	160.6	154.2	62.1	0	0	0	0	110.4	T180 T188 E189 L190	T180-T186 HydrophobicContact CG2-CG2 4.39Å; T186-T188 PolarHBondContact O-N 3.16Å; T186-E189 VanDerWaalsContact CB-OE2 3.31Å; T186-E189 WeakPolarHBondContact CB-OE2 3.45Å; T186-E189 WeakPolarHBondContact CG2-OE2 3.24Å; T186-E189 PolarHBondContact N-OE2 3.04Å; T186-E189 PolarHBondContact O-N 3.03Å; T186-E189 VanDerWaalsContact O-N 3.1Å; T186-E189 VanDerWaalsContact OG1-CD 3.25Å; T186-E189 VanDerWaalsContact OG1-CG 3.29Å; T186-E189 WeakPolarHBondContact OG1-CG 3.35Å; T186-E189 PolarHBondContact OG1-N 3.22Å; T186-E189 PolarHBondContact OG1-OE2 3.18Å; T186-L190 PolarHBondContact O-N 3.22Å
187	P	80.7	Confident	78.2	Confident	48 Å²	48	32.7 Å²	32.7	31%	0.312	18%	0.183	S	C	.	.	H	α-helix	trans	-54.5	-38.7	174.9	-27.8	36.1	0	0	0	113.3	F131 L151 E189 L190 V191	F131-P187 HydrophobicContact CE2-CB 4.18Å; L151-P187 HydrophobicContact CD1-CG 4.41Å; P187-E189 PolarHBondContact O-N 3Å; P187-L190 PolarHBondContact O-N 2.9Å; P187-V191 VanDerWaalsContact O-CG2 3.28Å; P187-V191 WeakPolarHBondContact O-CG2 3.04Å; P187-V191 PolarHBondContact O-N 3.33Å
188	T	82.9	Confident	78.5	Confident	53 Å²	53	32.7 Å²	32.7	33%	0.325	18%	0.183	S	C	.	.	H	α-helix	trans	-62.3	-40.3	177.3	-43	0	0	0	0	112.6	F131 T186 T192	F131-T188 HydrophobicContact CZ-CG2 4.45Å; T186-T188 PolarHBondContact O-N 3.16Å; T188-T192 WeakPolarHBondContact O-CB 3.45Å; T188-T192 PolarHBondContact O-N 3.07Å; T188-T192 PolarHBondContact O-OG1 3.28Å
189	E	87.8	Confident	79	Confident	16 Å²	16	32.2 Å²	32.2	8%	0.075	18%	0.18	C	C	.	.	H	α-helix	trans	-71.4	-39.7	178.2	-70.8	165.1	138.4	0	0	110.9	T177 C179 T180 F185 T186 P187 T192 A193	T177-E189 VanDerWaalsContact O-CB 3.25Å; T177-E189 WeakPolarHBondContact O-CB 3.49Å; T177-E189 WeakPolarHBondContact O-CG 3.31Å; C179-E189 PolarHBondContact N-OE1 3.38Å; T180-E189 WeakPolarHBondContact CB-OE1 3.17Å; T180-E189 PolarHBondContact N-OE1 3.02Å; T180-E189 VanDerWaalsContact OG1-CD 3.28Å; T180-E189 PolarHBondContact OG1-OE1 3.41Å; F185-E189 HydrophobicContact CD1-CB 3.66Å; F185-E189 HydrophobicContact CE1-CB 4.26Å; T186-E189 VanDerWaalsContact CB-OE2 3.31Å; T186-E189 WeakPolarHBondContact CB-OE2 3.45Å; T186-E189 WeakPolarHBondContact CG2-OE2 3.24Å; T186-E189 PolarHBondContact N-OE2 3.04Å; T186-E189 PolarHBondContact O-N 3.03Å; T186-E189 VanDerWaalsContact O-N 3.1Å; T186-E189 VanDerWaalsContact OG1-CD 3.25Å; T186-E189 VanDerWaalsContact OG1-CG 3.29Å; T186-E189 WeakPolarHBondContact OG1-CG 3.35Å; T186-E189 PolarHBondContact OG1-N 3.22Å; T186-E189 PolarHBondContact OG1-OE2 3.18Å; P187-E189 PolarHBondContact O-N 3Å; E189-T192 WeakPolarHBondContact O-CB 3.44Å; E189-T192 PolarHBondContact O-N 2.98Å; E189-T192 VanDerWaalsContact O-N 3.15Å; E189-A193 WeakPolarHBondContact O-CB 3.46Å; E189-A193 PolarHBondContact O-N 2.96Å
190	L	88.2	Confident	80.2	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-64.6	-41.7	175.3	180	55.7	0	0	0	111.2	I142 A145 L151 I156 F160 F185 T186 P187 T192 A193 L194	I142-L190 HydrophobicContact CB-CD2 4.44Å; I142-L190 HydrophobicContact CG1-CD2 3.91Å; I142-L190 HydrophobicContact CG1-CG 4.39Å; A145-L190 HydrophobicContact CB-CD2 4.36Å; L151-L190 HydrophobicContact CD1-CB 4.21Å; L151-L190 HydrophobicContact CD1-CD2 3.92Å; I156-L190 HydrophobicContact CD1-CD1 4.16Å; I156-L190 HydrophobicContact CD1-CD2 4.11Å; I156-L190 HydrophobicContact CG1-CD1 4.05Å; I156-L190 HydrophobicContact CG1-CD2 4.14Å; I156-L190 HydrophobicContact CG2-CD1 3.84Å; F160-L190 HydrophobicContact CE1-CD1 3.75Å; F160-L190 HydrophobicContact CZ-CD1 4.07Å; F185-L190 HydrophobicContact CB-CB 4.48Å; F185-L190 HydrophobicContact CD1-CB 4.25Å; T186-L190 PolarHBondContact O-N 3.22Å; P187-L190 PolarHBondContact O-N 2.9Å; L190-T192 VanDerWaalsContact C-N 3.33Å; L190-T192 PolarHBondContact O-N 2.83Å; L190-A193 PolarHBondContact O-N 3.15Å; L190-L194 HydrophobicContact CD1-CD1 4.09Å; L190-L194 HydrophobicContact CD1-CG 4.1Å; L190-L194 HydrophobicContact CG-CD1 4Å; L190-L194 HydrophobicContact CG-CG 4.47Å; L190-L194 WeakPolarHBondContact O-CB 3.09Å; L190-L194 WeakPolarHBondContact O-CG 3.17Å; L190-L194 PolarHBondContact O-N 2.89Å
191	V	87.6	Confident	81.4	Confident	1 Å²	1	29 Å²	29	1%	0.006	16%	0.157	C	C	.	.	H	α-helix	trans	-59.6	-43.5	170.6	171.1	0	0	0	0	111	L128 F131 L134 Y138 I142 P187 A193 L194 A195	L128-V191 HydrophobicContact CD2-CG1 4.02Å; F131-V191 HydrophobicContact CD1-CG2 4.27Å; F131-V191 HydrophobicContact CE1-CB 4.43Å; F131-V191 HydrophobicContact CE1-CG2 4.05Å; L134-V191 HydrophobicContact CD1-CB 4.41Å; L134-V191 HydrophobicContact CD1-CG1 3.74Å; L134-V191 HydrophobicContact CD1-CG2 3.66Å; L134-V191 HydrophobicContact CD2-CG1 4.06Å; Y138-V191 HydrophobicContact CD1-CB 4.28Å; Y138-V191 HydrophobicContact CD1-CG1 3.99Å; Y138-V191 HydrophobicContact CD1-CG2 4.16Å; Y138-V191 HydrophobicContact CE1-CG1 3.98Å; Y138-V191 WeakPolarHBondContact CE1-O 3.47Å; I142-V191 HydrophobicContact CD1-CG2 3.87Å; P187-V191 VanDerWaalsContact O-CG2 3.28Å; P187-V191 WeakPolarHBondContact O-CG2 3.04Å; P187-V191 PolarHBondContact O-N 3.33Å; V191-A193 PolarHBondContact O-N 3.36Å; V191-L194 PolarHBondContact O-N 3.3Å; V191-A195 VanDerWaalsContact O-CB 3.32Å; V191-A195 WeakPolarHBondContact O-CB 3.49Å; V191-A195 PolarHBondContact O-N 2.65Å
192	T	87.4	Confident	82.6	Confident	20 Å²	20	29.7 Å²	29.7	12%	0.123	16%	0.16	C	C	.	.	H	α-helix	trans	-63.4	-42.6	179.1	-54.7	0	0	0	0	111.2	T177 T188 E189 L190 A195 L196 I218 L221	T177-T192 HydrophobicContact CG2-CG2 3.92Å; T188-T192 WeakPolarHBondContact O-CB 3.45Å; T188-T192 PolarHBondContact O-N 3.07Å; T188-T192 PolarHBondContact O-OG1 3.28Å; E189-T192 WeakPolarHBondContact O-CB 3.44Å; E189-T192 PolarHBondContact O-N 2.98Å; E189-T192 VanDerWaalsContact O-N 3.15Å; L190-T192 VanDerWaalsContact C-N 3.33Å; L190-T192 PolarHBondContact O-N 2.83Å; T192-A195 PolarHBondContact O-N 3.38Å; T192-L196 WeakPolarHBondContact O-CG 3.32Å; T192-L196 PolarHBondContact O-N 2.78Å; T192-I218 HydrophobicContact CG2-CG2 4.34Å; T192-L221 HydrophobicContact CG2-CD1 3.86Å
193	A	90.8	Very high	83.7	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-67	-44.2	177.7	0	0	0	0	0	112.7	F160 I173 T177 F185 E189 L190 V191 A195 L196 I197	F160-A193 HydrophobicContact CE1-CB 4.19Å; F160-A193 HydrophobicContact CE2-CB 4.01Å; F160-A193 HydrophobicContact CZ-CB 3.38Å; I173-A193 HydrophobicContact CG2-CB 3.98Å; T177-A193 HydrophobicContact CG2-CB 4Å; F185-A193 HydrophobicContact CE1-CB 4.1Å; E189-A193 WeakPolarHBondContact O-CB 3.46Å; E189-A193 PolarHBondContact O-N 2.96Å; L190-A193 PolarHBondContact O-N 3.15Å; V191-A193 PolarHBondContact O-N 3.36Å; A193-A195 VanDerWaalsContact C-N 3.29Å; A193-A195 PolarHBondContact O-N 3.37Å; A193-L196 PolarHBondContact O-N 3.21Å; A193-I197 WeakPolarHBondContact O-CG1 3.09Å; A193-I197 PolarHBondContact O-N 2.77Å
194	L	91.2	Very high	84.5	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61.3	-37.5	174.8	-73.3	171.7	0	0	0	112	Y138 A141 I159 F160 L190 V191 I197 G198 P230 I232	Y138-L194 HydrophobicContact CD1-CB 3.85Å; Y138-L194 HydrophobicContact CD1-CD1 3.98Å; Y138-L194 HydrophobicContact CE1-CB 3.56Å; A141-L194 HydrophobicContact CB-CD1 3.73Å; A141-L194 HydrophobicContact CB-CD2 4.49Å; I159-L194 HydrophobicContact CG2-CD2 4.22Å; F160-L194 HydrophobicContact CE1-CD2 4.29Å; L190-L194 HydrophobicContact CD1-CD1 4.09Å; L190-L194 HydrophobicContact CD1-CG 4.1Å; L190-L194 HydrophobicContact CG-CD1 4Å; L190-L194 HydrophobicContact CG-CG 4.47Å; L190-L194 WeakPolarHBondContact O-CB 3.09Å; L190-L194 WeakPolarHBondContact O-CG 3.17Å; L190-L194 PolarHBondContact O-N 2.89Å; V191-L194 PolarHBondContact O-N 3.3Å; L194-I197 PolarHBondContact O-N 3.33Å; L194-G198 PolarHBondContact O-N 2.99Å; L194-P230 HydrophobicContact CB-CG 4.24Å; L194-P230 HydrophobicContact CD2-CG 4.29Å; L194-P230 WeakPolarHBondContact O-CB 3.48Å; L194-I232 HydrophobicContact CD2-CD1 3.63Å
195	A	90.8	Very high	84.5	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-69	-39.4	174	0	0	0	0	0	112.6	W127 Y138 V191 T192 A193 G198 L199 L221	W127-A195 HydrophobicContact CH2-CB 3.76Å; W127-A195 HydrophobicContact CZ3-CB 3.71Å; Y138-A195 HydrophobicContact CE1-CB 4.35Å; Y138-A195 WeakPolarHBondContact OH-CA 3.48Å; Y138-A195 WeakPolarHBondContact OH-CB 3.23Å; Y138-A195 PolarHBondContact OH-N 3.19Å; V191-A195 VanDerWaalsContact O-CB 3.32Å; V191-A195 WeakPolarHBondContact O-CB 3.49Å; V191-A195 PolarHBondContact O-N 2.65Å; T192-A195 PolarHBondContact O-N 3.38Å; A193-A195 VanDerWaalsContact C-N 3.29Å; A193-A195 PolarHBondContact O-N 3.37Å; A195-G198 PolarHBondContact O-N 2.84Å; A195-L199 WeakPolarHBondContact O-CB 3.28Å; A195-L199 PolarHBondContact O-N 3.47Å; A195-L221 HydrophobicContact CB-CD1 3.85Å; A195-L221 HydrophobicContact CB-CD2 3.83Å
196	L	89.6	Confident	84	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62	-46.2	171.8	-72.3	176.8	0	0	0	110.9	I173 L176 T177 T192 A193 G198 L199 V200 I216 L221	I173-L196 HydrophobicContact CD1-CB 4.44Å; I173-L196 HydrophobicContact CG1-CB 4.2Å; I173-L196 HydrophobicContact CG2-CB 3.98Å; I173-L196 HydrophobicContact CG2-CD1 4.18Å; L176-L196 HydrophobicContact CB-CD1 4.43Å; L176-L196 HydrophobicContact CD1-CD1 4.44Å; T177-L196 HydrophobicContact CG2-CD1 3.75Å; T192-L196 WeakPolarHBondContact O-CG 3.32Å; T192-L196 PolarHBondContact O-N 2.78Å; A193-L196 PolarHBondContact O-N 3.21Å; L196-G198 PolarHBondContact O-N 3.37Å; L196-L199 CarbonylContact O-C 3.55Å; L196-L199 WeakPolarHBondContact O-CA 3.41Å; L196-L199 WeakPolarHBondContact O-CB 3.38Å; L196-L199 PolarHBondContact O-N 3.06Å; L196-V200 WeakPolarHBondContact O-CG2 3.35Å; L196-V200 PolarHBondContact O-N 3.22Å; L196-I216 HydrophobicContact CD2-CG2 3.85Å; L196-L221 HydrophobicContact CD2-CD1 4.01Å; L196-L221 HydrophobicContact CD2-CD2 4Å; L196-L221 HydrophobicContact CD2-CG 3.76Å; L196-L221 HydrophobicContact CG-CD1 4.05Å; L196-L221 HydrophobicContact CG-CD2 4.5Å; L196-L221 HydrophobicContact CG-CG 4.32Å
197	I	90.6	Very high	83.2	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-54.9	-49.6	176.2	-71.6	169.1	0	0	0	110.9	F160 L165 L170 I173 A193 L194 L199 V200 Q201 P230 I232	F160-I197 HydrophobicContact CB-CD1 4.22Å; F160-I197 HydrophobicContact CD1-CD1 3.47Å; F160-I197 VanDerWaalsContact CD1-CD1 3.47Å; F160-I197 HydrophobicContact CD2-CD1 4.12Å; F160-I197 HydrophobicContact CE1-CD1 3.83Å; F160-I197 HydrophobicContact CE2-CD1 4.44Å; F160-I197 HydrophobicContact CG-CD1 3.66Å; F160-I197 HydrophobicContact CZ-CD1 4.34Å; L165-I197 HydrophobicContact CD1-CB 4.27Å; L165-I197 HydrophobicContact CD1-CG1 4.15Å; L165-I197 HydrophobicContact CD1-CG2 3.95Å; L170-I197 HydrophobicContact CD2-CD1 4.34Å; L170-I197 HydrophobicContact CD2-CG1 4.36Å; I173-I197 HydrophobicContact CD1-CG1 3.74Å; I173-I197 HydrophobicContact CG2-CG1 4.35Å; A193-I197 WeakPolarHBondContact O-CG1 3.09Å; A193-I197 PolarHBondContact O-N 2.77Å; L194-I197 PolarHBondContact O-N 3.33Å; I197-L199 VanDerWaalsContact C-N 3.3Å; I197-L199 PolarHBondContact O-N 3.32Å; I197-V200 PolarHBondContact O-N 2.74Å; I197-V200 VanDerWaalsContact O-N 3.16Å; I197-Q201 WeakPolarHBondContact O-CG 3.42Å; I197-Q201 PolarHBondContact O-N 2.8Å; I197-P230 HydrophobicContact CB-CB 4.38Å; I197-P230 HydrophobicContact CG2-CB 3.91Å; I197-I232 HydrophobicContact CG2-CG2 4.4Å
198	G	89	Confident	81.9	Confident	4 Å²	4	46.8 Å²	46.8	4%	0.041	21%	0.208	C	C	.	.	H	α-helix	trans	-61.6	-35.7	176.4	0	0	0	0	0	113.4	L194 A195 L196 R202	L194-G198 PolarHBondContact O-N 2.99Å; A195-G198 PolarHBondContact O-N 2.84Å; L196-G198 PolarHBondContact O-N 3.37Å; G198-R202 WeakPolarHBondContact O-CB 3.07Å; G198-R202 PolarHBondContact O-N 2.9Å; G198-R202 VanDerWaalsContact O-N 3.13Å
199	L	88.1	Confident	80.4	Confident	6 Å²	6	50.2 Å²	50.2	3%	0.031	23%	0.234	C	C	.	.	H	α-helix	trans	-69.4	-37.6	174	-173.6	63.7	0	0	0	112.2	A195 L196 I197 K203 L221 Q224 P228	A195-L199 WeakPolarHBondContact O-CB 3.28Å; A195-L199 PolarHBondContact O-N 3.47Å; L196-L199 CarbonylContact O-C 3.55Å; L196-L199 WeakPolarHBondContact O-CA 3.41Å; L196-L199 WeakPolarHBondContact O-CB 3.38Å; L196-L199 PolarHBondContact O-N 3.06Å; I197-L199 VanDerWaalsContact C-N 3.3Å; I197-L199 PolarHBondContact O-N 3.32Å; L199-K203 WeakPolarHBondContact O-CG 3.35Å; L199-K203 PolarHBondContact O-N 3.08Å; L199-L221 HydrophobicContact CB-CD2 4.38Å; L199-L221 HydrophobicContact CD2-CD2 4.11Å; L199-Q224 HydrophobicContact CD1-CG 4.4Å; L199-P228 HydrophobicContact CB-CB 4.5Å; L199-P228 HydrophobicContact CB-CG 4.28Å
200	V	86.9	Confident	78.5	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-64.2	-50.8	175.1	-173	0	0	0	0	110.8	L165 T169 I173 L196 I197 R202 K203 Q204 L212 I216	L165-V200 HydrophobicContact CD1-CB 3.81Å; L165-V200 HydrophobicContact CD1-CG1 3.96Å; L165-V200 HydrophobicContact CD1-CG2 4.16Å; L165-V200 HydrophobicContact CD2-CB 3.98Å; L165-V200 HydrophobicContact CD2-CG1 3.49Å; L165-V200 VanDerWaalsContact CD2-CG1 3.49Å; L165-V200 HydrophobicContact CG-CG1 4.36Å; T169-V200 HydrophobicContact CG2-CG1 3.86Å; T169-V200 HydrophobicContact CG2-CG2 4.14Å; I173-V200 HydrophobicContact CD1-CG2 3.67Å; I173-V200 HydrophobicContact CG1-CG2 4.48Å; L196-V200 WeakPolarHBondContact O-CG2 3.35Å; L196-V200 PolarHBondContact O-N 3.22Å; I197-V200 PolarHBondContact O-N 2.74Å; I197-V200 VanDerWaalsContact O-N 3.16Å; V200-R202 PolarHBondContact O-N 3.15Å; V200-K203 CarbonylContact O-C 3.47Å; V200-K203 PolarHBondContact O-N 3.25Å; V200-Q204 HydrophobicContact CG1-CG 4.34Å; V200-Q204 WeakPolarHBondContact O-CG 3.35Å; V200-Q204 PolarHBondContact O-N 3.47Å; V200-L212 HydrophobicContact CG1-CD1 4.08Å; V200-I216 HydrophobicContact CB-CD1 4.17Å; V200-I216 HydrophobicContact CG1-CD1 4Å; V200-I216 HydrophobicContact CG2-CD1 3.36Å; V200-I216 HydrophobicContact CG2-CG1 4.31Å
201	Q	86.1	Confident	76.9	Confident	27 Å²	27	56.2 Å²	56.2	13%	0.126	28%	0.277	C	S	.	.	H	α-helix	trans	-58.8	-38.5	-179	-69.7	173	-42	0	0	111	S163 L165 I197 W205 M231	S163-Q201 PolarHBondContact O-NE2 2.85Å; L165-Q201 HydrophobicContact CD1-CG 4.43Å; L165-Q201 HydrophobicContact CD2-CG 3.75Å; L165-Q201 HydrophobicContact CG-CG 4.15Å; I197-Q201 WeakPolarHBondContact O-CG 3.42Å; I197-Q201 PolarHBondContact O-N 2.8Å; Q201-W205 PolarHBondContact O-N 3.1Å; Q201-M231 PolarHBondContact NE2-O 3.04Å
202	R	81.8	Confident	75.6	Confident	135 Å²	135	56.7 Å²	56.7	51%	0.509	28%	0.28	S	S	.	.	H	α-helix	trans	-63.6	-48.9	170.7	-177.8	176.6	174.6	165.7	4	112.7	G198 V200 Q204 W205 E206	G198-R202 WeakPolarHBondContact O-CB 3.07Å; G198-R202 PolarHBondContact O-N 2.9Å; G198-R202 VanDerWaalsContact O-N 3.13Å; V200-R202 PolarHBondContact O-N 3.15Å; R202-Q204 VanDerWaalsContact C-N 3.31Å; R202-Q204 PolarHBondContact O-N 3.46Å; R202-W205 WeakPolarHBondContact O-CB 3.28Å; R202-W205 PolarHBondContact O-N 3.32Å; R202-W205 VanDerWaalsContact O-N 3.16Å; R202-E206 IonicContact CZ-OE1 2.7Å; R202-E206 IonicContact NE-OE1 2.68Å; R202-E206 PolarHBondContact NE-OE1 3.07Å; R202-E206 IonicContact NE-OE2 2.89Å; R202-E206 IonicContact NH2-OE1 3.11Å; R202-E206 PolarHBondContact NH2-OE1 3.43Å; R202-E206 WeakPolarHBondContact O-CG 3.47Å; R202-E206 PolarHBondContact O-N 2.95Å
203	K	78.8	Confident	74.2	Confident	46 Å²	46	56.5 Å²	56.5	20%	0.2	28%	0.279	C	S	.	.	H	α-helix	trans	-63.2	-32.3	177.5	-76.1	-172.3	176.2	-169.6	0	113	L199 V200 W205 E206 F207 L212 T215	L199-K203 WeakPolarHBondContact O-CG 3.35Å; L199-K203 PolarHBondContact O-N 3.08Å; V200-K203 CarbonylContact O-C 3.47Å; V200-K203 PolarHBondContact O-N 3.25Å; K203-W205 VanDerWaalsContact C-N 3.34Å; K203-E206 PolarHBondContact O-N 3.02Å; K203-F207 PolarHBondContact O-N 3.19Å; K203-L212 HydrophobicContact CB-CD2 3.65Å; K203-L212 HydrophobicContact CD-CD2 3.93Å; K203-L212 HydrophobicContact CG-CD2 4.45Å; K203-T215 PolarHBondContact NZ-O 2.95Å
204	Q	73.9	Confident	72.5	Confident	73 Å²	73	64.8 Å²	64.8	34%	0.341	32%	0.318	S	S	.	.	H	α-helix	trans	-64.4	-37.7	173.3	-76.3	-176.2	-20.2	0	0	112.4	V200 R202 F207 L212	V200-Q204 HydrophobicContact CG1-CG 4.34Å; V200-Q204 WeakPolarHBondContact O-CG 3.35Å; V200-Q204 PolarHBondContact O-N 3.47Å; R202-Q204 VanDerWaalsContact C-N 3.31Å; R202-Q204 PolarHBondContact O-N 3.46Å; Q204-F207 CarbonylContact O-C 3.58Å; Q204-L212 HydrophobicContact CB-CD1 4.27Å; Q204-L212 HydrophobicContact CG-CD1 3.24Å
205	W	67.5	Low	71.1	Confident	208 Å²	208	67.6 Å²	67.6	79%	0.788	34%	0.335	S	S	*	.	H	α-helix	trans	-69.5	-40.3	174.3	-177.3	-93.9	0	0	0	112.1	Q201 R202 K203	Q201-W205 PolarHBondContact O-N 3.1Å; R202-W205 WeakPolarHBondContact O-CB 3.28Å; R202-W205 PolarHBondContact O-N 3.32Å; R202-W205 VanDerWaalsContact O-N 3.16Å; K203-W205 VanDerWaalsContact C-N 3.34Å
206	E	64.3	Low	70.4	Confident	94 Å²	94	67.7 Å²	67.7	44%	0.439	34%	0.335	S	S	.	.	H	α-helix	trans	-74.2	-29.5	179.1	-68	171.1	174.9	0	0	112.8	R202 K203	R202-E206 IonicContact CZ-OE1 2.7Å; R202-E206 IonicContact NE-OE1 2.68Å; R202-E206 PolarHBondContact NE-OE1 3.07Å; R202-E206 IonicContact NE-OE2 2.89Å; R202-E206 IonicContact NH2-OE1 3.11Å; R202-E206 PolarHBondContact NH2-OE1 3.43Å; R202-E206 WeakPolarHBondContact O-CG 3.47Å; R202-E206 PolarHBondContact O-N 2.95Å; K203-E206 PolarHBondContact O-N 3.02Å
207	F	62.4	Low	69.9	Low	128 Å²	128	70.9 Å²	70.9	56%	0.561	36%	0.355	S	S	*	.			trans	-139.2	86.6	-176.3	-59.6	-83.9	0	0	0	113	K203 Q204 S209	K203-F207 PolarHBondContact O-N 3.19Å; Q204-F207 CarbonylContact O-C 3.58Å; F207-S209 PolarHBondContact O-N 3.27Å
208	Q	55	Low	69.4	Low	172 Å²	172	73.5 Å²	73.5	80%	0.804	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	13.3	-178	-65.7	-175	-21.6	0	0	116.4
209	S	50.1	Low	68.9	Low	124 Å²	124	77.5 Å²	77.5	87%	0.867	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-151.6	17.7	-168.7	-52	0	0	0	0	115.9	F207	F207-S209 PolarHBondContact O-N 3.27Å
210	C	48.2	Very low	68.6	Low	68 Å²	68	78 Å²	78	46%	0.459	39%	0.389	S	S	.	.			trans	-111.7	140.9	-178.7	-164.9	0	0	0	0	112.1	L212	C210-L212 PolarHBondContact O-N 2.87Å; C210-L212 VanDerWaalsContact O-N 3.13Å
211	S	55.8	Low	68.3	Low	74 Å²	74	78 Å²	78	52%	0.517	39%	0.389	S	S	.	.			trans	-71.5	103.7	165.9	-174.1	0	0	0	0	108.7	S213	S211-S213 VanDerWaalsContact C-N 3.33Å; S211-S213 PolarHBondContact O-N 3.46Å
212	L	60.3	Low	68.1	Low	12 Å²	12	79.9 Å²	79.9	6%	0.063	40%	0.396	C	S	.	.			trans	-75.1	-23.8	-170.5	-78.9	160.2	0	0	0	113.2	V200 K203 Q204 C210 E214 T215 I216	V200-L212 HydrophobicContact CG1-CD1 4.08Å; K203-L212 HydrophobicContact CB-CD2 3.65Å; K203-L212 HydrophobicContact CD-CD2 3.93Å; K203-L212 HydrophobicContact CG-CD2 4.45Å; Q204-L212 HydrophobicContact CB-CD1 4.27Å; Q204-L212 HydrophobicContact CG-CD1 3.24Å; C210-L212 PolarHBondContact O-N 2.87Å; C210-L212 VanDerWaalsContact O-N 3.13Å; L212-E214 VanDerWaalsContact C-N 3.27Å; L212-E214 PolarHBondContact O-N 3.02Å; L212-T215 PolarHBondContact O-N 3.26Å; L212-T215 PolarHBondContact O-OG1 3.06Å; L212-I216 HydrophobicContact CB-CD1 3.87Å; L212-I216 WeakPolarHBondContact O-CD1 3.48Å; L212-I216 WeakPolarHBondContact O-CG1 3.49Å
213	S	56.7	Low	67.9	Low	15 Å²	15	79.7 Å²	79.7	11%	0.105	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-47.1	-45.9	-179.7	-49.2	0	0	0	0	112.8	E168 H172 S211 T215	E168-S213 VanDerWaalsContact OE1-CB 3.3Å; E168-S213 WeakPolarHBondContact OE1-CB 3.12Å; E168-S213 PolarHBondContact OE1-OG 3.16Å; H172-S213 PolarHBondContact CD2-O 3.32Å; H172-S213 PolarHBondContact NE2-O 3.4Å; S211-S213 VanDerWaalsContact C-N 3.33Å; S211-S213 PolarHBondContact O-N 3.46Å; S213-T215 VanDerWaalsContact C-N 3.32Å; S213-T215 PolarHBondContact O-N 3.42Å
214	E	55.3	Low	67.9	Low	175 Å²	175	79.2 Å²	79.2	82%	0.818	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-77.6	-12.3	-177.9	-60.8	-172.9	142.3	0	0	114.2	L212	L212-E214 VanDerWaalsContact C-N 3.27Å; L212-E214 PolarHBondContact O-N 3.02Å
215	T	63.1	Low	68	Low	58 Å²	58	83.9 Å²	83.9	36%	0.356	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-112.1	7.7	-168.9	70.8	0	0	0	0	114.7	K203 L212 S213	K203-T215 PolarHBondContact NZ-O 2.95Å; L212-T215 PolarHBondContact O-N 3.26Å; L212-T215 PolarHBondContact O-OG1 3.06Å; S213-T215 VanDerWaalsContact C-N 3.32Å; S213-T215 PolarHBondContact O-N 3.42Å
216	I	74.5	Confident	68.4	Low	3 Å²	3	77.8 Å²	77.8	2%	0.015	41%	0.413	C	S	.	.			trans	-114.9	124.2	-177.6	-64.4	157.3	0	0	0	109.5	T169 H172 L196 V200 L212	T169-I216 HydrophobicContact CG2-CD1 4.21Å; H172-I216 PolarHBondContact NE2-O 3.47Å; L196-I216 HydrophobicContact CD2-CG2 3.85Å; V200-I216 HydrophobicContact CB-CD1 4.17Å; V200-I216 HydrophobicContact CG1-CD1 4Å; V200-I216 HydrophobicContact CG2-CD1 3.36Å; V200-I216 HydrophobicContact CG2-CG1 4.31Å; L212-I216 HydrophobicContact CB-CD1 3.87Å; L212-I216 WeakPolarHBondContact O-CD1 3.48Å; L212-I216 WeakPolarHBondContact O-CG1 3.49Å
217	T	80.1	Confident	69.2	Low	66 Å²	66	74.2 Å²	74.2	41%	0.405	40%	0.398	S	S	.	.			trans	-137.7	162.9	175.4	67.3	0	0	0	0	109.7	Q219 S220	T217-Q219 PolarHBondContact O-N 2.61Å; T217-Q219 PolarHBondContact OG1-N 2.92Å; T217-S220 WeakPolarHBondContact O-CB 3.43Å; T217-S220 PolarHBondContact O-N 3.1Å; T217-S220 VanDerWaalsContact O-N 3.15Å; T217-S220 PolarHBondContact OG1-N 2.97Å; T217-S220 PolarHBondContact OG1-OG 3.37Å
218	I	79.5	Confident	70.4	Confident	55 Å²	55	68.8 Å²	68.8	28%	0.282	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-56.9	-36.2	172.7	-54.4	172	0	0	0	110.8	L176 T192 S220 L221 Y222	L176-I218 WeakPolarHBondContact O-CD1 3.48Å; T192-I218 HydrophobicContact CG2-CG2 4.34Å; I218-S220 PolarHBondContact O-N 3.09Å; I218-L221 WeakPolarHBondContact O-CB 3.45Å; I218-L221 PolarHBondContact O-N 3.29Å; I218-Y222 HydrophobicContact CG2-CE1 4.2Å
219	Q	78.8	Confident	71.8	Confident	89 Å²	89	65 Å²	65	42%	0.416	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-59.5	-32.3	-179.9	-169.7	67.1	14	0	0	112.5	T217 L221 Y222	T217-Q219 PolarHBondContact O-N 2.61Å; T217-Q219 PolarHBondContact OG1-N 2.92Å; Q219-L221 PolarHBondContact O-N 2.76Å; Q219-L221 VanDerWaalsContact O-N 3.15Å; Q219-Y222 WeakPolarHBondContact O-CB 3.3Å; Q219-Y222 PolarHBondContact O-N 2.85Å
220	S	81	Confident	73.7	Confident	15 Å²	15	59.3 Å²	59.3	11%	0.105	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-64.9	-14.7	176.5	-51.7	0	0	0	0	113.8	T217 I218 Q224	T217-S220 WeakPolarHBondContact O-CB 3.43Å; T217-S220 PolarHBondContact O-N 3.1Å; T217-S220 VanDerWaalsContact O-N 3.15Å; T217-S220 PolarHBondContact OG1-N 2.97Å; T217-S220 PolarHBondContact OG1-OG 3.37Å; I218-S220 PolarHBondContact O-N 3.09Å; S220-Q224 WeakPolarHBondContact O-CG 3.32Å; S220-Q224 PolarHBondContact O-NE2 3.03Å
221	L	82.1	Confident	75.5	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-78.9	-26.2	168.7	-63.6	-177.7	0	0	0	112.9	W127 L128 T192 A195 L196 L199 I218 Q219 E223 Q224 P228	W127-L221 HydrophobicContact CH2-CB 4.34Å; W127-L221 HydrophobicContact CH2-CD1 4.48Å; W127-L221 HydrophobicContact CH2-CD2 4.39Å; L128-L221 HydrophobicContact CD1-CB 4.27Å; L128-L221 HydrophobicContact CD1-CD1 4.29Å; T192-L221 HydrophobicContact CG2-CD1 3.86Å; A195-L221 HydrophobicContact CB-CD1 3.85Å; A195-L221 HydrophobicContact CB-CD2 3.83Å; L196-L221 HydrophobicContact CD2-CD1 4.01Å; L196-L221 HydrophobicContact CD2-CD2 4Å; L196-L221 HydrophobicContact CD2-CG 3.76Å; L196-L221 HydrophobicContact CG-CD1 4.05Å; L196-L221 HydrophobicContact CG-CD2 4.5Å; L196-L221 HydrophobicContact CG-CG 4.32Å; L199-L221 HydrophobicContact CB-CD2 4.38Å; L199-L221 HydrophobicContact CD2-CD2 4.11Å; I218-L221 WeakPolarHBondContact O-CB 3.45Å; I218-L221 PolarHBondContact O-N 3.29Å; Q219-L221 PolarHBondContact O-N 2.76Å; Q219-L221 VanDerWaalsContact O-N 3.15Å; L221-E223 PolarHBondContact O-N 3.24Å; L221-Q224 WeakPolarHBondContact O-CB 3.21Å; L221-Q224 PolarHBondContact O-N 2.88Å; L221-P228 HydrophobicContact CD2-CG 4.35Å
222	Y	81.8	Confident	77.1	Confident	68 Å²	68	59.9 Å²	59.9	27%	0.267	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-18.5	-176.2	-61.3	-3.8	0	0	0	112.3	L122 K124 P125 L128 I218 Q219 Q224	L122-Y222 HydrophobicContact CB-CD2 4.38Å; K124-Y222 HydrophobicContact CB-CE1 4.45Å; K124-Y222 HydrophobicContact CG-CE1 4.12Å; P125-Y222 VanDerWaalsContact CD-CD1 3.46Å; P125-Y222 HydrophobicContact CG-CD1 4.31Å; L128-Y222 HydrophobicContact CD1-CD1 4.27Å; L128-Y222 HydrophobicContact CD1-CE1 4.09Å; I218-Y222 HydrophobicContact CG2-CE1 4.2Å; Q219-Y222 WeakPolarHBondContact O-CB 3.3Å; Q219-Y222 PolarHBondContact O-N 2.85Å; Y222-Q224 VanDerWaalsContact C-N 3.28Å
223	E	77.9	Confident	78.3	Confident	131 Å²	131	66.2 Å²	66.2	61%	0.612	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-12.3	170.2	-63.1	167.3	174.5	0	0	112.7	L122 L221 I225	L122-E223 HydrophobicContact CD2-CG 4.07Å; L221-E223 PolarHBondContact O-N 3.24Å; E223-I225 PolarHBondContact O-N 3.15Å
224	Q	78.8	Confident	79.6	Confident	36 Å²	36	66.9 Å²	66.9	17%	0.168	35%	0.345	C	S	.	.			trans	-90.5	109.6	-173	-50.8	-56.7	-48.6	0	0	111.9	W127 L199 S220 L221 Y222 C226 P228	W127-Q224 HydrophobicContact CZ2-CB 4.16Å; W127-Q224 PolarHBondContact NE1-O 2.93Å; L199-Q224 HydrophobicContact CD1-CG 4.4Å; S220-Q224 WeakPolarHBondContact O-CG 3.32Å; S220-Q224 PolarHBondContact O-NE2 3.03Å; L221-Q224 WeakPolarHBondContact O-CB 3.21Å; L221-Q224 PolarHBondContact O-N 2.88Å; Y222-Q224 VanDerWaalsContact C-N 3.28Å; Q224-C226 PolarHBondContact O-N 2.72Å; Q224-P228 HydrophobicContact CB-CG 4.43Å; Q224-P228 HydrophobicContact CG-CG 4.11Å
225	I	74.3	Confident	80.3	Confident	171 Å²	171	59.7 Å²	59.7	88%	0.877	31%	0.314	S	S	*	.	S	Bend	trans	-57.9	-33.4	177.8	-58.1	174.3	0	0	0	111.7	E223	E223-I225 PolarHBondContact O-N 3.15Å
226	C	77.2	Confident	80.1	Confident	80 Å²	80	62.6 Å²	62.6	54%	0.541	33%	0.327	S	S	.	.	S	Bend	trans	-128.9	154	177.4	56.1	0	0	0	0	111	Q224 P228	Q224-C226 PolarHBondContact O-N 2.72Å; C226-P228 WeakPolarHBondContact O-CD 3.18Å
227	P	81.6	Confident	78.7	Confident	18 Å²	18	66.7 Å²	66.7	12%	0.117	36%	0.356	C	S	.	.			trans	-59.3	122	174.5	21.3	-31.4	0	0	0	110.8	W127 L134 P135 Y138 V229	W127-P227 HydrophobicContact CB-CG 4.44Å; W127-P227 HydrophobicContact CD2-CB 3.79Å; W127-P227 HydrophobicContact CD2-CG 4.33Å; W127-P227 HydrophobicContact CE3-CB 3.57Å; W127-P227 HydrophobicContact CE3-CG 4.46Å; W127-P227 HydrophobicContact CG-CB 4.29Å; W127-P227 HydrophobicContact CG-CG 4.32Å; W127-P227 HydrophobicContact CZ3-CB 3.93Å; L134-P227 HydrophobicContact CD2-CB 3.99Å; L134-P227 HydrophobicContact CD2-CG 4.32Å; P135-P227 VanDerWaalsContact CD-CG 3.41Å; P135-P227 HydrophobicContact CG-CB 4.49Å; P135-P227 HydrophobicContact CG-CG 3.97Å; Y138-P227 HydrophobicContact CE2-CB 4.3Å; P227-V229 PolarHBondContact O-N 2.9Å
228	P	85.9	Confident	76.4	Confident	15 Å²	15	68.5 Å²	68.5	10%	0.097	37%	0.372	C	S	.	.			trans	-56.6	136.7	172.1	-23.6	34.2	0	0	0	110.2	Y138 L199 L221 Q224 C226 P230	Y138-P228 PolarHBondContact OH-O 3.22Å; L199-P228 HydrophobicContact CB-CB 4.5Å; L199-P228 HydrophobicContact CB-CG 4.28Å; L221-P228 HydrophobicContact CD2-CG 4.35Å; Q224-P228 HydrophobicContact CB-CG 4.43Å; Q224-P228 HydrophobicContact CG-CG 4.11Å; C226-P228 WeakPolarHBondContact O-CD 3.18Å; P228-P230 VanDerWaalsContact O-CD 3.25Å; P228-P230 WeakPolarHBondContact O-CD 3.36Å
229	V	85.9	Confident	74.1	Confident	92 Å²	92	75.7 Å²	75.7	56%	0.558	40%	0.395	S	S	*	.			trans	-91.9	111.1	-179.3	-175	0	0	0	0	109	P135 I137 P227	P135-V229 HydrophobicContact CB-CG2 4.5Å; P135-V229 HydrophobicContact CG-CG2 4.11Å; I137-V229 HydrophobicContact CG2-CG1 4.3Å; P227-V229 PolarHBondContact O-N 2.9Å
230	P	88.5	Confident	71.8	Confident	4 Å²	4	79.6 Å²	79.6	3%	0.026	42%	0.418	C	S	.	.			trans	-70.6	133.4	175.2	29.5	-35.3	0	0	0	110.9	I137 L194 I197 P228 I232	I137-P230 HydrophobicContact CG2-CG 4.16Å; L194-P230 HydrophobicContact CB-CG 4.24Å; L194-P230 HydrophobicContact CD2-CG 4.29Å; L194-P230 WeakPolarHBondContact O-CB 3.48Å; I197-P230 HydrophobicContact CB-CB 4.38Å; I197-P230 HydrophobicContact CG2-CB 3.91Å; P228-P230 VanDerWaalsContact O-CD 3.25Å; P228-P230 WeakPolarHBondContact O-CD 3.36Å; P230-I232 HydrophobicContact CB-CG1 4.19Å; P230-I232 HydrophobicContact CB-CG2 4.25Å; P230-I232 HydrophobicContact CG-CD1 4.31Å; P230-I232 HydrophobicContact CG-CG1 4.18Å; P230-I232 PolarHBondContact O-N 3.06Å
231	M	87	Confident	69.3	Low	136 Å²	136	83.2 Å²	83.2	67%	0.67	44%	0.443	S	S	*	.			trans	-81.1	94.4	166.3	-63.1	-179.1	67.4	0	0	108.1	S163 Q201	S163-M231 WeakPolarHBondContact CA-O 3.47Å; Q201-M231 PolarHBondContact NE2-O 3.04Å
232	I	89.1	Confident	66.7	Low	19 Å²	19	91.1 Å²	91.1	10%	0.097	49%	0.486	C	S	.	.			trans	-134.6	154.9	-179.4	48.1	158.3	0	0	0	111	I137 A141 I159 S162 L194 I197 P230 I234	I137-I232 HydrophobicContact CD1-CD1 4.47Å; I137-I232 HydrophobicContact CD1-CG1 4.15Å; I137-I232 HydrophobicContact CG1-CD1 3.87Å; I137-I232 HydrophobicContact CG1-CG1 3.75Å; A141-I232 HydrophobicContact CB-CD1 4.19Å; I159-I232 HydrophobicContact CG2-CB 4.37Å; I159-I232 HydrophobicContact CG2-CD1 3.51Å; I159-I232 HydrophobicContact CG2-CG2 4.49Å; I159-I232 WeakPolarHBondContact O-CG2 3.39Å; S162-I232 WeakPolarHBondContact OG-CA 3.49Å; S162-I232 WeakPolarHBondContact OG-CB 3.39Å; L194-I232 HydrophobicContact CD2-CD1 3.63Å; I197-I232 HydrophobicContact CG2-CG2 4.4Å; P230-I232 HydrophobicContact CB-CG1 4.19Å; P230-I232 HydrophobicContact CB-CG2 4.25Å; P230-I232 HydrophobicContact CG-CD1 4.31Å; P230-I232 HydrophobicContact CG-CG1 4.18Å; P230-I232 PolarHBondContact O-N 3.06Å; I232-I234 HydrophobicContact CD1-CG1 4.33Å
233	Q	84.9	Confident	64	Low	145 Å²	145	97.8 Å²	97.8	68%	0.678	52%	0.516	S	S	*	.			trans	-99	142.3	168.8	-51.7	-177.8	15	0	0	108.8	S162	S162-Q233 PolarHBondContact OG-N 2.86Å; S162-Q233 PolarHBondContact OG-O 3.34Å
234	I	83.9	Confident	61.9	Low	28 Å²	28	97.7 Å²	97.7	14%	0.144	53%	0.525	C	S	.	.			trans	-113.7	120.2	-176.6	-62.3	178.1	0	0	0	109	I137 N140 A141 A144 I232 S237	I137-I234 HydrophobicContact CD1-CD1 3.55Å; I137-I234 HydrophobicContact CD1-CG1 4.2Å; I137-I234 HydrophobicContact CG1-CD1 4.09Å; N140-I234 HydrophobicContact CB-CD1 3.45Å; N140-I234 VanDerWaalsContact CB-CD1 3.45Å; A141-I234 HydrophobicContact CB-CD1 4.19Å; A144-I234 HydrophobicContact CB-CG2 3.55Å; I232-I234 HydrophobicContact CD1-CG1 4.33Å; I234-S237 WeakPolarHBondContact O-CB 3.46Å; I234-S237 PolarHBondContact O-N 2.95Å
235	P	70.5	Confident	59.5	Low	25 Å²	25	103 Å²	103	16%	0.162	55%	0.554	C	S	.	*	T	Hydrogen-bonded Turn	trans	-52.1	141.5	177.1	-29.3	37.1	0	0	0	112.3	I155 E158 I159 S237	I155-P235 HydrophobicContact CG2-CG 4.38Å; E158-P235 HydrophobicContact CB-CG 4.35Å; E158-P235 VanDerWaalsContact CD-CG 3.41Å; E158-P235 HydrophobicContact CG-CG 3.95Å; E158-P235 VanDerWaalsContact OE2-CG 3.29Å; E158-P235 WeakPolarHBondContact OE2-CG 3.36Å; I159-P235 HydrophobicContact CG1-CG 4.31Å; P235-S237 VanDerWaalsContact C-N 3.27Å; P235-S237 PolarHBondContact O-N 2.89Å
236	N	58.8	Low	57.3	Low	119 Å²	119	100.6 Å²	100.6	64%	0.636	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	6.8	179.9	-59.2	-65.4	0	0	0	118	S238 R239	N236-S238 PolarHBondContact O-N 3.22Å; N236-R239 PolarHBondContact O-N 3.11Å
237	S	44.4	Very low	55	Low	89 Å²	89	103.8 Å²	103.8	62%	0.622	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	-4.9	176.8	-167.3	0	0	0	0	115.3	I234 P235	I234-S237 WeakPolarHBondContact O-CB 3.46Å; I234-S237 PolarHBondContact O-N 2.95Å; P235-S237 VanDerWaalsContact C-N 3.27Å; P235-S237 PolarHBondContact O-N 2.89Å
238	S	33.2	Very low	52.7	Low	104 Å²	104	108.8 Å²	108.8	73%	0.727	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	0.8	-176.8	53.1	0	0	0	0	115.4	N236	N236-S238 PolarHBondContact O-N 3.22Å
239	R	30.7	Very low	50.1	Low	205 Å²	205	111.6 Å²	111.6	77%	0.774	63%	0.625	S	S	*	*	S	Bend	trans	-96.2	2.8	-177	-66.2	-165.1	-174.5	-142.9	3.5	115.8	N236	N236-R239 PolarHBondContact O-N 3.11Å
240	L	29.6	Very low	47.5	Very low	172 Å²	172	113.4 Å²	113.4	90%	0.901	64%	0.639	S	S	*	*	S	Bend	trans	-127.4	34.3	-173.2	-136.6	79.8	0	0	0	115
241	S	29.4	Very low	44.9	Very low	91 Å²	91	122.3 Å²	122.3	64%	0.636	68%	0.68	S	S	*	*			trans	-148.3	78	174.3	61.4	0	0	0	0	111.9
242	N	27.8	Very low	42.2	Very low	166 Å²	166	123.2 Å²	123.2	89%	0.888	69%	0.687	S	S	*	*			trans	-166.1	59	165.2	-97.7	-22.4	0	0	0	110.6
243	F	25.3	Very low	39.5	Very low	208 Å²	208	128.3 Å²	128.3	91%	0.912	72%	0.718	S	S	*	*			trans	-133.4	69.9	173.2	-93.1	-70.1	0	0	0	110.5
244	T	32.5	Very low	36.8	Very low	128 Å²	128	126 Å²	126	79%	0.785	71%	0.714	S	S	*	*			trans	-157.6	98.2	159.2	37	0	0	0	0	109.1
245	D	27.9	Very low	34.2	Very low	148 Å²	148	134.6 Å²	134.6	79%	0.791	75%	0.747	S	S	*	*			trans	29.1	143.6	134.6	-47.5	-33.8	0	0	0	121.9
246	T	28.5	Very low	32.1	Very low	120 Å²	120	141.5 Å²	141.5	74%	0.736	78%	0.777	S	S	*	*			trans	106.9	87.9	143.4	-46.1	0	0	0	0	119.3
247	I	29.7	Very low	30.8	Very low	148 Å²	148	142 Å²	142	76%	0.759	78%	0.779	S	S	*	*			trans	80.8	118.7	131	-64.5	178.5	0	0	0	121.4
248	S	32.1	Very low	30.1	Very low	122 Å²	122	144.8 Å²	144.8	85%	0.853	79%	0.786	S	S	*	*			trans	72.7	130.4	147.1	-68.9	0	0	0	0	123.6
249	G	31.4	Very low	30.1	Very low	75 Å²	75	144.1 Å²	144.1	77%	0.773	78%	0.78	S	S	*	*			trans	139.8	92.4	150.1	0	0	0	0	0	116.1
250	P	33.1	Very low	30	Very low	130 Å²	130	140.8 Å²	140.8	84%	0.844	78%	0.782	S	S	*	*			trans	-118.4	122	-178.7	36.7	-23.7	0	0	0	115.7
251	E	33.3	Very low	29.9	Very low	190 Å²	190	136.4 Å²	136.4	89%	0.888	77%	0.766	S	S	*	*			trans	-141.9	120.5	151.1	-85.6	-175	131.1	0	0	105.3
252	L	30	Very low	29.9	Very low	156 Å²	156	140.9 Å²	140.9	82%	0.817	77%	0.774	S	S	*	*				58.7	106.6	60	-147.1	82.3	0	0	0	110.5
253	V	32.6	Very low	29.8	Very low	125 Å²	125	142.5 Å²	142.5	76%	0.758	77%	0.768	S	S	*	*				177.9	143.2	91.7	149.8	0	0	0	0	104.2
254	T	28.2	Very low	29.9	Very low	97 Å²	97	137.8 Å²	137.8	60%	0.595	75%	0.753	S	S	*	*			cis	176.3	145.7	0.5	-88.9	0	0	0	0	104.4
255	Y	28.1	Very low	29.7	Very low	209 Å²	209	137.9 Å²	137.9	82%	0.82	76%	0.758	S	S	*	*			trans	-12.1	138.1	161.6	-43.6	-94.4	0	0	0	117.1
256	E	28.3	Very low	29.6	Very low	170 Å²	170	139 Å²	139	79%	0.794	76%	0.763	S	S	*	*				-176	166.1	69.2	-110.6	-164.8	-113.3	0	0	110
257	N	31.1	Very low	29.7	Very low	129 Å²	129	140 Å²	140	69%	0.69	77%	0.769	S	S	*	*			cis	-160.7	-168.7	-10.8	-150.3	-22.3	0	0	0	110.7
258	L	28.3	Very low	29.5	Very low	147 Å²	147	138.3 Å²	138.3	77%	0.77	77%	0.77	S	S	*	*			trans	-136.2	-165.7	170	-135.3	68.1	0	0	0	107.1
259	P	35.1	Very low	29.2	Very low	91 Å²	91	136 Å²	136	59%	0.591	77%	0.766	S	S	*	*			cis	-133.9	-176.3	-27.3	37.8	-19.7	0	0	0	114.4
260	T	27.1	Very low	28.9	Very low	134 Å²	134	138.6 Å²	138.6	82%	0.822	77%	0.77	S	S	*	*			trans	65.2	149.9	153.7	50.4	0	0	0	0	119.1
261	S	29	Very low	28.5	Very low	81 Å²	81	136.9 Å²	136.9	57%	0.566	76%	0.762	S	S	*	*			cis	-174.1	166.7	48.8	53.8	0	0	0	0	113.9
262	F	28.6	Very low	28.2	Very low	185 Å²	185	137.4 Å²	137.4	81%	0.811	76%	0.761	S	S	*	*			trans	62.1	156.7	155.4	-56.2	-49	0	0	0	120.9
263	R	26.3	Very low	28.1	Very low	199 Å²	199	138.2 Å²	138.2	75%	0.751	76%	0.758	S	S	*	*			cis	-164.9	155.1	-42	-140.5	-168.3	-173.8	-128.6	11.1	108.4
264	D	26.3	Very low	27.8	Very low	110 Å²	110	138 Å²	138	59%	0.588	76%	0.759	S	S	*	*			trans	26.6	133.6	159.2	-46.2	-29	0	0	0	122.7
265	S	28.2	Very low	27.7	Very low	130 Å²	130	142.5 Å²	142.5	91%	0.909	77%	0.771	S	S	*	*				-161.9	148.9	123.8	-86	0	0	0	0	112.9
266	L	26.8	Very low	27.7	Very low	170 Å²	170	141 Å²	141	89%	0.89	77%	0.772	S	S	*	*			trans	-113.1	125.4	-171.5	-70.7	157.6	0	0	0	112.3
267	V	29.8	Very low	27.6	Very low	143 Å²	143	138.1 Å²	138.1	87%	0.867	77%	0.768	S	S	*	*			trans	-148	120.3	152.8	-172.6	0	0	0	0	106.5
268	S	26.7	Very low	27.4	Very low	112 Å²	112	138.3 Å²	138.3	78%	0.783	78%	0.776	S	S	*	*			cis	90.3	67.8	29.9	-167.1	0	0	0	0	116.5
269	G	25.6	Very low	27.2	Very low	73 Å²	73	138 Å²	138	75%	0.753	77%	0.774	S	S	*	*				94.9	106.4	127.7	0	0	0	0	0	120.3
270	C	24.2	Very low	26.7	Very low	129 Å²	129	140 Å²	140	87%	0.872	78%	0.783	S	S	*	*			trans	-171.8	157.9	146.3	-104.1	0	0	0	0	108.7
271	S	25.7	Very low	26.5	Very low	95 Å²	95	137.3 Å²	137.3	66%	0.664	78%	0.775	S	S	*	*			cis	-168.7	170.1	-31.4	51.1	0	0	0	0	106.7
272	K	26.7	Very low	26.5	Very low	200 Å²	200	142.6 Å²	142.6	87%	0.87	79%	0.788	S	S	*	*			trans	-76.7	130.1	-173.7	-61	173.6	-177.3	174.6	0	112.5
273	F	26.5	Very low	26.3	Very low	173 Å²	173	139.2 Å²	139.2	76%	0.759	79%	0.787	S	S	*	*			trans	-142	135.2	151.1	-81.3	-75.2	0	0	0	111.5	F275	F273-F275 HydrophobicContact CB-CE2 4.33Å
274	P	26.4	Very low	26.4	Very low	120 Å²	120	132.7 Å²	132.7	78%	0.779	78%	0.776	S	S	*	*			trans	-86.7	143.8	171.4	34.8	-31.9	0	0	0	110.9
275	F	26	Very low	26.4	Very low	193 Å²	193	137 Å²	137	85%	0.846	79%	0.79	S	S	*	*			trans	-130.1	131.5	171.9	-88.3	-88.7	0	0	0	111.1	F273	F273-F275 HydrophobicContact CB-CE2 4.33Å
276	Q	30	Very low	26.4	Very low	178 Å²	178	136.1 Å²	136.1	83%	0.832	78%	0.784	S	S	*	*			trans	-122.2	125	164.3	-74.3	-169.1	-96.1	0	0	109.2
277	P	26	Very low	26.4	Very low	109 Å²	109	135.6 Å²	135.6	71%	0.708	78%	0.782	S	S	*	*			trans	-101.5	177.7	157.3	39.5	-29.8	0	0	0	109.5
278	P	25.2	Very low	26.2	Very low	132 Å²	132	136.1 Å²	136.1	86%	0.857	78%	0.775	S	S	*	*				-98	166.9	-124.4	-0.5	22.5	0	0	0	116.1
279	I	24.7	Very low	26.3	Very low	142 Å²	142	139.1 Å²	139.1	73%	0.728	78%	0.781	S	S	*	*			trans	-97.3	138.6	-178.8	-62	165	0	0	0	110.8
280	V	25.2	Very low	26.5	Very low	131 Å²	131	142.6 Å²	142.6	79%	0.794	78%	0.782	S	S	*	*			trans	-116.9	127.6	156.1	-179.1	0	0	0	0	108
281	A	23.3	Very low	26.7	Very low	78 Å²	78	140.8 Å²	140.8	65%	0.645	77%	0.771	S	S	*	*			trans	-105.9	136.4	-172.5	0	0	0	0	0	112.2
282	F	28.1	Very low	27	Very low	193 Å²	193	142.6 Å²	142.6	85%	0.846	77%	0.774	S	S	*	*			trans	-107.4	81.7	169.4	-78.4	-75.8	0	0	0	111
283	S	25.4	Very low	27.1	Very low	113 Å²	113	137.7 Å²	137.7	79%	0.79	76%	0.764	S	S	*	*			trans	-82.1	113.8	164.9	52.6	0	0	0	0	109.8
284	A	26.7	Very low	27.3	Very low	63 Å²	63	139.3 Å²	139.3	52%	0.521	77%	0.765	S	S	.	*			trans	-142.5	42.4	-175.5	0	0	0	0	0	114.1
285	F	27.6	Very low	27.5	Very low	199 Å²	199	140.9 Å²	140.9	87%	0.873	76%	0.762	S	S	*	*			trans	-126.9	67.9	165.2	-77.8	-64.8	0	0	0	110.6	N287	F285-N287 PolarHBondContact O-N 3.14Å
286	S	27.1	Very low	27.7	Very low	112 Å²	112	140.4 Å²	140.4	78%	0.783	76%	0.762	S	S	*	*			trans	-84.3	84.8	173.4	-63.6	0	0	0	0	110.6	H288	S286-H288 VanDerWaalsContact C-N 3.32Å; S286-H288 PolarHBondContact O-N 2.91Å
287	N	27.3	Very low	27.7	Very low	160 Å²	160	136.4 Å²	136.4	86%	0.856	75%	0.754	S	S	*	*			trans	-70.8	89.4	163.4	-71	-17.3	0	0	0	108.7	F285	F285-N287 PolarHBondContact O-N 3.14Å
288	H	26.9	Very low	28	Very low	153 Å²	153	138.1 Å²	138.1	71%	0.708	76%	0.756	S	S	*	*			trans	-128.6	82.9	177	-154.1	-69.7	0	0	0	111.7	S286 D290	S286-H288 VanDerWaalsContact C-N 3.32Å; S286-H288 PolarHBondContact O-N 2.91Å; H288-D290 PolarHBondContact O-N 3.11Å
289	L	27.7	Very low	28.3	Very low	176 Å²	176	140 Å²	140	92%	0.921	75%	0.753	S	S	*	*			trans	-72.8	100.7	156.7	-72.9	167.8	0	0	0	107.8
290	D	30.6	Very low	28.6	Very low	145 Å²	145	138.3 Å²	138.3	78%	0.775	75%	0.754	S	S	*	*			trans	-160.7	168.3	151.4	-125.6	-32.5	0	0	0	112.6	H288	H288-D290 PolarHBondContact O-N 3.11Å
291	S	28	Very low	28.8	Very low	92 Å²	92	136.5 Å²	136.5	64%	0.643	75%	0.747	S	S	*	*			trans	-100	169.3	-153.9	-158	0	0	0	0	117.5
292	D	31.6	Very low	29.2	Very low	133 Å²	133	138.1 Å²	138.1	71%	0.711	75%	0.749	S	S	*	*			trans	72.2	79.8	150.9	-69.2	-61.9	0	0	0	123.6
293	S	29.6	Very low	29.5	Very low	96 Å²	96	135.7 Å²	135.7	67%	0.671	75%	0.745	S	S	*	*				83.6	146	110.4	88.1	0	0	0	0	123.9
294	R	29	Very low	29.7	Very low	208 Å²	208	135.4 Å²	135.4	79%	0.785	74%	0.743	S	S	*	*			trans	79.8	107.9	149.2	-71.5	-175.8	176.7	176.7	1.2	123.4
295	H	31.1	Very low	30.1	Very low	153 Å²	153	137.7 Å²	137.7	71%	0.708	76%	0.755	S	S	*	*			trans	69.7	154	137.5	-51.8	-44.2	0	0	0	118.6
296	Q	31.6	Very low	30.3	Very low	183 Å²	183	133.8 Å²	133.8	86%	0.855	75%	0.748	S	S	*	*			cis	-150.1	-175.9	0.1	-133.7	164.6	8.6	0	0	112.6
297	S	29.8	Very low	30.5	Very low	94 Å²	94	135.7 Å²	135.7	66%	0.657	75%	0.748	S	S	*	*			trans	-100.1	169.7	-163.5	52.9	0	0	0	0	117.6
298	I	31.9	Very low	30.8	Very low	145 Å²	145	135.8 Å²	135.8	74%	0.744	75%	0.749	S	S	*	*			trans	146.1	124.5	150.4	-80.1	155.7	0	0	0	109.5
299	Q	31.3	Very low	30.8	Very low	172 Å²	172	136.4 Å²	136.4	80%	0.804	76%	0.757	S	S	*	*				72.8	146	58	-69.6	172.7	-35.1	0	0	114
300	S	29.9	Very low	31.2	Very low	105 Å²	105	133.6 Å²	133.6	73%	0.734	75%	0.752	S	S	*	*			cis	-177.6	160.1	-5.9	44.3	0	0	0	0	108.2
301	S	31.2	Very low	31.2	Very low	93 Å²	93	133.3 Å²	133.3	65%	0.65	76%	0.755	S	S	*	*			cis	-178	-169.7	-8.9	52.1	0	0	0	0	110.7
302	T	30.2	Very low	31.2	Very low	113 Å²	113	139.2 Å²	139.2	69%	0.693	77%	0.765	S	S	*	*			trans	81.5	150.4	143.6	34.2	0	0	0	0	124.8
303	N	34.1	Very low	31.2	Very low	141 Å²	141	142.8 Å²	142.8	75%	0.754	77%	0.774	S	S	*	*			trans	80.1	125.4	163.4	-51.8	-26.7	0	0	0	119.2
304	S	30.7	Very low	31.3	Very low	107 Å²	107	145.4 Å²	145.4	75%	0.748	78%	0.779	S	S	*	*			cis	96.1	117	0.5	90.5	0	0	0	0	121
305	S	35.1	Very low	31.4	Very low	111 Å²	111	141 Å²	141	78%	0.776	78%	0.777	S	S	*	*			trans	-179.1	142.4	139.9	53.9	0	0	0	0	116.6
306	T	32.5	Very low	31.3	Very low	118 Å²	118	140.8 Å²	140.8	72%	0.724	78%	0.782	S	S	*	*			trans	34.4	129.6	147.9	53.8	0	0	0	0	122.8
307	L	30.4	Very low	31.1	Very low	152 Å²	152	135.9 Å²	135.9	80%	0.796	77%	0.766	S	S	*	*			cis	86.5	124.3	45.6	-76.9	170.4	0	0	0	116.7
308	N	32.6	Very low	31	Very low	162 Å²	162	141 Å²	141	87%	0.866	78%	0.777	S	S	*	*				179.4	155.6	119.7	-92.2	-27.7	0	0	0	114.9
309	N	28.4	Very low	31	Very low	165 Å²	165	140 Å²	140	88%	0.882	78%	0.778	S	S	*	*			trans	-113.9	152.2	-173.3	-80.7	-24.1	0	0	0	114.1
310	S	34.5	Very low	30.9	Very low	117 Å²	117	140.1 Å²	140.1	82%	0.818	78%	0.778	S	S	*	*			trans	-172.2	155.2	148.2	62.3	0	0	0	0	110.1
311	V	31.7	Very low	30.7	Very low	139 Å²	139	144.9 Å²	144.9	84%	0.842	79%	0.786	S	S	*	*			cis	-156.2	150.3	-18.6	127.8	0	0	0	0	107.3
312	Y	28	Very low	30.5	Very low	216 Å²	216	145.8 Å²	145.8	85%	0.847	79%	0.787	S	S	*	*			trans	-72	149.6	-179.9	-82	-92.5	0	0	0	114.6
313	K	32.5	Very low	30.3	Very low	208 Å²	208	146.3 Å²	146.3	90%	0.904	80%	0.795	S	S	*	*			trans	-150.1	134.4	152.6	-109.6	-178.7	-179.9	-178.6	0	111.1
314	I	31.4	Very low	29.8	Very low	152 Å²	152	144.4 Å²	144.4	78%	0.779	79%	0.793	S	S	*	*			trans	-115.2	140.4	172.7	-59.9	168.6	0	0	0	107.3
315	P	30	Very low	29.5	Very low	114 Å²	114	151 Å²	151	74%	0.74	80%	0.801	S	S	*	*			trans	-142.9	136.1	135.8	32.6	-15.9	0	0	0	115.3
316	D	28.9	Very low	29.1	Very low	149 Å²	149	151.3 Å²	151.3	80%	0.797	80%	0.798	S	S	*	*			trans	50.9	140.9	157	-77	-42.4	0	0	0	124.5
317	P	28.4	Very low	28.8	Very low	81 Å²	81	150.5 Å²	150.5	53%	0.526	80%	0.795	S	S	.	*			trans	-90.8	-174.7	167.3	36.6	-32	0	0	0	113.8
318	F	27.8	Very low	28.6	Very low	201 Å²	201	148.6 Å²	148.6	88%	0.882	79%	0.792	S	S	*	*			trans	83.8	16.6	171.4	-61.6	-72.7	0	0	0	120.4
319	T	30.5	Very low	28.6	Very low	125 Å²	125	147 Å²	147	77%	0.767	78%	0.782	S	S	*	*			trans	-134.1	40	178.9	50.9	0	0	0	0	117.3
320	H	30.2	Very low	28.9	Very low	174 Å²	174	145.5 Å²	145.5	81%	0.806	77%	0.774	S	S	*	*			trans	-153.3	43.4	164.5	-122.4	-72	0	0	0	118.1	V322	H320-V322 PolarHBondContact O-N 2.82Å
321	F	26.1	Very low	29.3	Very low	205 Å²	205	142.2 Å²	142.2	90%	0.899	75%	0.747	S	S	*	*			trans	-95.5	67.1	168	-149.8	-86.2	0	0	0	111.4
322	V	26.6	Very low	29.7	Very low	112 Å²	112	140.1 Å²	140.1	68%	0.679	74%	0.737	S	S	*	*	S	Bend	trans	-131.1	134.7	179.1	179.6	0	0	0	0	109.5	H320 S324	H320-V322 PolarHBondContact O-N 2.82Å; V322-S324 PolarHBondContact O-N 2.89Å
323	S	25.7	Very low	30.4	Very low	123 Å²	123	137.5 Å²	137.5	86%	0.86	73%	0.732	S	S	*	*			trans	-61.8	86.8	-168.7	-51.9	0	0	0	0	115.3	R325	S323-R325 PolarHBondContact O-N 3.32Å; S323-R325 VanDerWaalsContact O-N 3.1Å
324	S	23.2	Very low	30.7	Very low	101 Å²	101	128.7 Å²	128.7	71%	0.706	69%	0.693	S	S	*	*			trans	-74.7	90.1	161.5	41.8	0	0	0	0	110	V322 T326	V322-S324 PolarHBondContact O-N 2.89Å; S324-T326 VanDerWaalsContact C-N 3.26Å; S324-T326 PolarHBondContact O-N 3.47Å
325	R	24.1	Very low	31	Very low	247 Å²	247	124.4 Å²	124.4	93%	0.932	68%	0.677	S	S	*	*			trans	-69	79.2	176.4	-167	-172.5	-158.2	-170.9	7.5	110.7	S323	S323-R325 PolarHBondContact O-N 3.32Å; S323-R325 VanDerWaalsContact O-N 3.1Å
326	T	26.8	Very low	31.7	Very low	116 Å²	116	125.3 Å²	125.3	71%	0.712	68%	0.676	S	S	*	*			trans	-59	140.6	171.9	42.2	0	0	0	0	110.1	S324	S324-T326 VanDerWaalsContact C-N 3.26Å; S324-T326 PolarHBondContact O-N 3.47Å
327	P	26.2	Very low	32	Very low	102 Å²	102	123 Å²	123	66%	0.662	66%	0.658	S	S	*	*			trans	-64.7	152	172.2	29.5	-34.5	0	0	0	109.5	I329	P327-I329 PolarHBondContact O-N 2.79Å
328	P	27.1	Very low	32.4	Very low	111 Å²	111	120.2 Å²	120.2	72%	0.721	64%	0.643	S	S	*	*			trans	-62.2	114.4	176.1	26.5	-33.3	0	0	0	109.3	N330	P328-N330 VanDerWaalsContact C-N 3.3Å; P328-N330 PolarHBondContact O-N 2.68Å
329	I	33	Very low	32.9	Very low	130 Å²	130	114.3 Å²	114.3	67%	0.667	63%	0.626	S	S	*	*			trans	-68.9	99.2	162.4	-63.6	178.6	0	0	0	105.8	R161 P327 D331	R161-I329 PolarHBondContact NH2-O 2.96Å; R161-I329 VanDerWaalsContact NH2-O 3.1Å; P327-I329 PolarHBondContact O-N 2.79Å; I329-D331 PolarHBondContact O-N 3.16Å
330	N	34.2	Very low	33.1	Very low	132 Å²	132	116.9 Å²	116.9	71%	0.706	63%	0.627	S	S	*	*			trans	-65	88.7	164.8	-82.2	2.9	0	0	0	107.5	P328 P332	P328-N330 VanDerWaalsContact C-N 3.3Å; P328-N330 PolarHBondContact O-N 2.68Å; N330-P332 VanDerWaalsContact O-CD 3.25Å; N330-P332 WeakPolarHBondContact O-CD 3.3Å
331	D	43.1	Very low	33.2	Very low	49 Å²	49	113 Å²	113	26%	0.262	61%	0.612	S	S	.	*			trans	-80.9	106.7	172.8	-158.9	-26.6	0	0	0	108	I329 W334 S335	I329-D331 PolarHBondContact O-N 3.16Å; D331-W334 HydrophobicContact CB-CB 4.45Å; D331-W334 VanDerWaalsContact CG-CD1 3.41Å; D331-W334 PolarHBondContact O-N 3.27Å; D331-S335 PolarHBondContact O-OG 2.89Å
332	P	39.7	Very low	33.4	Very low	95 Å²	95	107.9 Å²	107.9	62%	0.617	60%	0.598	S	S	*	*	H	α-helix	trans	-68.3	-40.7	-165.6	-21.2	35	0	0	0	112.5	N330 W334 S335	N330-P332 VanDerWaalsContact O-CD 3.25Å; N330-P332 WeakPolarHBondContact O-CD 3.3Å; P332-W334 PolarHBondContact O-N 2.96Å; P332-W334 VanDerWaalsContact O-N 3.11Å; P332-S335 WeakPolarHBondContact O-CB 3.22Å; P332-S335 PolarHBondContact O-N 3.43Å; P332-S335 VanDerWaalsContact O-N 3.1Å
333	E	42.4	Very low	33.5	Very low	161 Å²	161	107.9 Å²	107.9	75%	0.752	60%	0.603	S	S	*	*	H	α-helix	trans	-58	-28.7	-179.2	-74.9	-172.4	129.9	0	0	113.1
334	W	40.5	Very low	33.6	Very low	22 Å²	22	107.4 Å²	107.4	8%	0.083	59%	0.594	C	S	.	*	H	α-helix	trans	-85.9	-24.4	-178.2	-72.7	82.3	0	0	0	113.9	Y157 T167 Y171 D331 P332 D336 F337 A338	Y157-W334 HydrophobicContact CE1-CE3 4.32Å; Y157-W334 AromaticContact CE2-CE3 3.79Å; Y157-W334 HydrophobicContact CE2-CE3 3.79Å; Y157-W334 AromaticContact CE2-CZ3 3.61Å; Y157-W334 HydrophobicContact CE2-CZ3 3.61Å; Y157-W334 AromaticContact CZ-CE3 3.48Å; Y157-W334 VanDerWaalsContact CZ-CE3 3.48Å; Y157-W334 AromaticContact CZ-CZ3 3.81Å; T167-W334 HydrophobicContact CG2-CD2 3.97Å; T167-W334 HydrophobicContact CG2-CE3 4.14Å; T167-W334 HydrophobicContact CG2-CH2 3.52Å; T167-W334 HydrophobicContact CG2-CZ2 3.4Å; T167-W334 VanDerWaalsContact CG2-CZ2 3.4Å; T167-W334 HydrophobicContact CG2-CZ3 3.91Å; T167-W334 WeakPolarHBondContact O-CH2 3.39Å; Y171-W334 AromaticContact CD1-CH2 3.5Å; Y171-W334 HydrophobicContact CD1-CH2 3.5Å; Y171-W334 HydrophobicContact CD1-CZ2 4.46Å; Y171-W334 AromaticContact CD1-CZ3 3.68Å; Y171-W334 HydrophobicContact CD1-CZ3 3.68Å; Y171-W334 AromaticContact CD2-CH2 3.25Å; Y171-W334 HydrophobicContact CD2-CH2 3.25Å; Y171-W334 AromaticContact CD2-CZ2 3.46Å; Y171-W334 HydrophobicContact CD2-CZ2 3.46Å; Y171-W334 VanDerWaalsContact CD2-CZ2 3.46Å; Y171-W334 HydrophobicContact CD2-CZ3 4.18Å; Y171-W334 HydrophobicContact CE1-CE3 4.02Å; Y171-W334 AromaticContact CE1-CH2 3.41Å; Y171-W334 HydrophobicContact CE1-CH2 3.41Å; Y171-W334 VanDerWaalsContact CE1-CH2 3.41Å; Y171-W334 HydrophobicContact CE1-CZ2 4.18Å; Y171-W334 AromaticContact CE1-CZ3 3.29Å; Y171-W334 HydrophobicContact CE1-CZ3 3.29Å; Y171-W334 AromaticContact CE2-CE2 3.85Å; Y171-W334 HydrophobicContact CE2-CE3 4.45Å; Y171-W334 AromaticContact CE2-CH2 3.16Å; Y171-W334 HydrophobicContact CE2-CH2 3.16Å; Y171-W334 AromaticContact CE2-CZ2 3.11Å; Y171-W334 HydrophobicContact CE2-CZ2 3.11Å; Y171-W334 AromaticContact CE2-CZ3 3.86Å; Y171-W334 HydrophobicContact CE2-CZ3 3.86Å; Y171-W334 AromaticContact CG-CH2 3.4Å; Y171-W334 HydrophobicContact CG-CH2 3.4Å; Y171-W334 VanDerWaalsContact CG-CH2 3.4Å; Y171-W334 HydrophobicContact CG-CZ2 4.12Å; Y171-W334 HydrophobicContact CG-CZ3 4.09Å; Y171-W334 AromaticContact CZ-CE2 3.96Å; Y171-W334 AromaticContact CZ-CE3 3.81Å; Y171-W334 AromaticContact CZ-CH2 3.21Å; Y171-W334 AromaticContact CZ-CZ2 3.49Å; Y171-W334 VanDerWaalsContact CZ-CZ2 3.49Å; Y171-W334 AromaticContact CZ-CZ3 3.37Å; D331-W334 HydrophobicContact CB-CB 4.45Å; D331-W334 VanDerWaalsContact CG-CD1 3.41Å; D331-W334 PolarHBondContact O-N 3.27Å; P332-W334 PolarHBondContact O-N 2.96Å; P332-W334 VanDerWaalsContact O-N 3.11Å; W334-D336 VanDerWaalsContact C-N 3.29Å; W334-F337 PolarHBondContact O-N 3.31Å; W334-A338 PolarHBondContact O-N 2.82Å
335	S	37.6	Very low	33.9	Very low	63 Å²	63	111.3 Å²	111.3	44%	0.441	60%	0.599	S	S	.	*	H	α-helix	trans	-68.1	-34.9	179.3	-56.7	0	0	0	0	110.8	D331 P332 S339	D331-S335 PolarHBondContact O-OG 2.89Å; P332-S335 WeakPolarHBondContact O-CB 3.22Å; P332-S335 PolarHBondContact O-N 3.43Å; P332-S335 VanDerWaalsContact O-N 3.1Å; S335-S339 WeakPolarHBondContact O-CB 3.29Å; S335-S339 PolarHBondContact O-OG 3.21Å
336	D	44.4	Very low	34	Very low	133 Å²	133	108.1 Å²	108.1	71%	0.711	59%	0.594	S	S	*	*	H	α-helix	trans	-78.5	-21.7	-179.6	-66.3	-8.1	0	0	0	113	W334 S339	W334-D336 VanDerWaalsContact C-N 3.29Å; D336-S339 PolarHBondContact O-OG 3.46Å
337	F	35.3	Very low	34.1	Very low	99 Å²	99	108 Å²	108	43%	0.434	60%	0.596	S	S	.	*	H	α-helix	trans	-84.4	-40.8	178.4	-173.1	-99.1	0	0	0	113	Y171 W334	Y171-F337 HydrophobicContact CE1-CD1 4.05Å; Y171-F337 AromaticContact CE1-CE1 3.95Å; Y171-F337 HydrophobicContact CE1-CE1 3.95Å; Y171-F337 HydrophobicContact CE1-CZ 4.4Å; W334-F337 PolarHBondContact O-N 3.31Å
338	A	36.3	Very low	34	Very low	24 Å²	24	112.4 Å²	112.4	20%	0.198	61%	0.607	C	S	.	*	H	α-helix	trans	-87.9	-5.5	-175.6	0	0	0	0	0	114.4	S154 Y157 W334 F340	S154-A338 VanDerWaalsContact CB-O 3.32Å; S154-A338 WeakPolarHBondContact CB-O 3.42Å; Y157-A338 HydrophobicContact CD1-CB 3.61Å; Y157-A338 HydrophobicContact CE1-CB 4.22Å; Y157-A338 HydrophobicContact CG-CB 4.25Å; W334-A338 PolarHBondContact O-N 2.82Å; A338-F340 PolarHBondContact O-N 2.88Å; A338-F340 VanDerWaalsContact O-N 3.13Å
339	S	38.7	Very low	34.1	Very low	76 Å²	76	114.9 Å²	114.9	53%	0.531	61%	0.614	S	S	.	*			trans	-82.9	24.8	-173.1	46.6	0	0	0	0	115.3	S335 D336 N341	S335-S339 WeakPolarHBondContact O-CB 3.29Å; S335-S339 PolarHBondContact O-OG 3.21Å; D336-S339 PolarHBondContact O-OG 3.46Å; S339-N341 PolarHBondContact O-N 3.49Å
340	F	32.9	Very low	33.7	Very low	179 Å²	179	116.1 Å²	116.1	79%	0.785	62%	0.622	S	S	*	*			trans	-70.2	47.3	162.9	-79.2	-80.8	0	0	0	112.4	A338	A338-F340 PolarHBondContact O-N 2.88Å; A338-F340 VanDerWaalsContact O-N 3.13Å
341	N	33	Very low	33.3	Very low	92 Å²	92	114.3 Å²	114.3	49%	0.492	62%	0.619	S	S	.	*			trans	-105	138.5	-176.5	-157.1	-42.7	0	0	0	110.8	S154 S339 S343	S154-N341 PolarHBondContact OG-ND2 3.15Å; S339-N341 PolarHBondContact O-N 3.49Å; N341-S343 VanDerWaalsContact C-N 3.34Å; N341-S343 PolarHBondContact O-N 3.2Å
342	T	29.8	Very low	32.6	Very low	98 Å²	98	118.5 Å²	118.5	60%	0.601	64%	0.642	S	S	*	*			trans	-78.6	80.6	-167.3	-60.5	0	0	0	0	110.7	V344	T342-V344 HydrophobicContact CG2-CG2 3.87Å; T342-V344 PolarHBondContact O-N 3.5Å
343	S	29	Very low	32.1	Very low	112 Å²	112	121 Å²	121	78%	0.783	65%	0.65	S	S	*	*			trans	-73.8	57.1	-178.6	-156.6	0	0	0	0	113.1	N341 K345	N341-S343 VanDerWaalsContact C-N 3.34Å; N341-S343 PolarHBondContact O-N 3.2Å; S343-K345 PolarHBondContact O-N 2.92Å
344	V	29	Very low	31.5	Very low	113 Å²	113	121.1 Å²	121.1	69%	0.685	65%	0.654	S	S	*	*			trans	-68.5	98.2	163.2	172.3	0	0	0	0	107	T342 Q346	T342-V344 HydrophobicContact CG2-CG2 3.87Å; T342-V344 PolarHBondContact O-N 3.5Å; V344-Q346 PolarHBondContact O-N 3.42Å
345	K	28.4	Very low	31	Very low	184 Å²	184	125.1 Å²	125.1	80%	0.8	68%	0.683	S	S	*	*			trans	-55.8	112.8	168.2	-68.9	-178.1	177.1	-179	0	108.6	S343 P347	S343-K345 PolarHBondContact O-N 2.92Å; K345-P347 VanDerWaalsContact O-CD 3.22Å; K345-P347 WeakPolarHBondContact O-CD 3.3Å
346	Q	25.9	Very low	30.6	Very low	179 Å²	179	128.5 Å²	128.5	84%	0.836	69%	0.69	S	S	*	*			trans	-61.6	120.7	167.1	-70.6	-176.4	-29.9	0	0	108.5	V344 E348	V344-Q346 PolarHBondContact O-N 3.42Å; Q346-E348 PolarHBondContact O-N 3.12Å
347	P	28.9	Very low	29.8	Very low	115 Å²	115	126 Å²	126	75%	0.747	68%	0.679	S	S	*	*			trans	-79.8	109.6	166.9	-3.5	23	0	0	0	107.3	K345 L349	K345-P347 VanDerWaalsContact O-CD 3.22Å; K345-P347 WeakPolarHBondContact O-CD 3.3Å; P347-L349 PolarHBondContact O-N 3.07Å
348	E	24.3	Very low	29.5	Very low	193 Å²	193	123 Å²	123	90%	0.902	67%	0.673	S	S	*	*			trans	-61.5	116.1	162.7	-66.2	-175.7	144.6	0	0	108.5	Q346	Q346-E348 PolarHBondContact O-N 3.12Å
349	L	28.9	Very low	29.2	Very low	164 Å²	164	125 Å²	125	86%	0.859	68%	0.683	S	S	*	*			trans	-148.7	125.6	164.3	-115.1	166.3	0	0	0	109.7	P347	P347-L349 PolarHBondContact O-N 3.07Å
350	N	26.5	Very low	28.7	Very low	155 Å²	155	129.9 Å²	129.9	83%	0.829	70%	0.697	S	S	*	*			trans	-73.1	158.6	-166.2	-77.1	-54.7	0	0	0	113.7
351	S	24.8	Very low	28.4	Very low	94 Å²	94	124.8 Å²	124.8	66%	0.657	69%	0.688	S	S	*	*			trans	-34.5	135	170.6	42.8	0	0	0	0	116.2
352	N	27.7	Very low	28.2	Very low	138 Å²	138	127.4 Å²	127.4	74%	0.738	70%	0.702	S	S	*	*				176.3	157.9	102.9	-84.1	-48.1	0	0	0	112.7
353	N	30.6	Very low	28.2	Very low	146 Å²	146	130.1 Å²	130.1	78%	0.781	71%	0.711	S	S	*	*			trans	66.1	77.9	162.8	-48.6	-27.4	0	0	0	117.6
354	I	29.3	Very low	28.1	Very low	164 Å²	164	131.8 Å²	131.8	84%	0.841	71%	0.711	S	S	*	*				59.5	135.3	57.5	-93.7	171.9	0	0	0	113.8
355	P	30.4	Very low	28.2	Very low	107 Å²	107	130.2 Å²	130.2	70%	0.695	72%	0.718	S	S	*	*				-132.3	-139.1	-103.4	43.3	-27.6	0	0	0	114.1
356	K	28.5	Very low	28.3	Very low	134 Å²	134	129.2 Å²	129.2	58%	0.583	72%	0.717	S	S	*	*			trans	69.2	122.7	178.6	-63.5	-177.4	173.9	-174	0	116	K395 I397	K356-K395 PolarHBondContact NZ-O 3.5Å; K356-I397 HydrophobicContact CD-CG2 4.1Å; K356-I397 HydrophobicContact CG-CG2 4.29Å
357	V	28	Very low	28.3	Very low	79 Å²	79	127 Å²	127	48%	0.479	71%	0.706	S	S	.	*			cis	75.9	133.3	1.4	-137.5	0	0	0	0	112.1	I397 E398	V357-I397 CarbonylContact C-O 3.01Å; V357-I397 CarbonylContact O-C 3.58Å; V357-I397 WeakPolarHBondContact O-CG2 3.32Å; V357-E398 HydrophobicContact CG1-CB 3.73Å; V357-E398 HydrophobicContact CG1-CG 4.08Å
358	A	29.1	Very low	28.4	Very low	38 Å²	38	130 Å²	130	31%	0.314	71%	0.707	S	S	.	*			trans	-154.2	121.5	179.3	0	0	0	0	0	121.9	I397 E398 I399	A358-I397 HydrophobicContact CB-CB 4.18Å; A358-I397 HydrophobicContact CB-CG1 3.84Å; A358-I397 HydrophobicContact CB-CG2 3.79Å; A358-I397 PolarHBondContact N-O 3.46Å; A358-E398 VanDerWaalsContact C-CA 3.49Å; A358-E398 CarbonylContact C-O 3.48Å; A358-E398 VanDerWaalsContact CA-C 3.43Å; A358-E398 VanDerWaalsContact CA-CA 3.48Å; A358-E398 CarbonylContact O-C 3.33Å; A358-I399 HydrophobicContact CB-CB 4.07Å; A358-I399 HydrophobicContact CB-CD1 4.2Å; A358-I399 HydrophobicContact CB-CG1 4.5Å; A358-I399 VanDerWaalsContact N-CB 3.33Å; A358-I399 WeakPolarHBondContact O-CA 3.32Å; A358-I399 WeakPolarHBondContact O-CB 3.41Å; A358-I399 VanDerWaalsContact O-CG1 3.31Å; A358-I399 WeakPolarHBondContact O-CG1 3.28Å; A358-I399 PolarHBondContact O-N 3.17Å
359	T	29.4	Very low	28.5	Very low	65 Å²	65	126 Å²	126	40%	0.399	70%	0.701	S	S	.	*			trans	-99.4	-174.5	-161.7	-10.2	0	0	0	0	118.9	I397 E398	T359-I397 VanDerWaalsContact OG1-C 3.28Å; T359-I397 WeakPolarHBondContact OG1-CA 3.47Å; T359-E398 VanDerWaalsContact CA-O 3.25Å; T359-E398 WeakPolarHBondContact CA-O 3.49Å; T359-E398 HydrophobicContact CG2-CB 4.37Å; T359-E398 PolarHBondContact N-O 2.9Å; T359-E398 PolarHBondContact OG1-N 3.12Å; T359-E398 PolarHBondContact OG1-OE2 2.67Å
360	E	27.8	Very low	28.5	Very low	179 Å²	179	125.4 Å²	125.4	84%	0.836	70%	0.704	S	S	*	*			trans	81.8	157.4	163.6	-67.4	167	-157.2	0	0	116
361	A	28	Very low	28.5	Very low	72 Å²	72	126.2 Å²	126.2	60%	0.595	70%	0.704	S	S	*	*			cis	-157.7	163	3.1	0	0	0	0	0	113.9
362	D	27.7	Very low	28.8	Very low	147 Å²	147	126.6 Å²	126.6	79%	0.786	71%	0.707	S	S	*	*			trans	61	170.4	142.2	-53.6	-19.3	0	0	0	121.2
363	I	30.9	Very low	28.8	Very low	154 Å²	154	124 Å²	124	79%	0.79	70%	0.7	S	S	*	*			cis	-141.3	134.7	12.4	-42.9	158.9	0	0	0	113.5
364	N	26.7	Very low	28.7	Very low	147 Å²	147	124.6 Å²	124.6	79%	0.786	70%	0.698	S	S	*	*			trans	12.9	145.3	158.6	-59.3	-20.4	0	0	0	125
365	G	30.4	Very low	28.7	Very low	81 Å²	81	123.2 Å²	123.2	84%	0.835	69%	0.692	S	S	*	*			trans	-156.5	85.3	161.7	0	0	0	0	0	114
366	Q	29.8	Very low	28.6	Very low	163 Å²	163	129.5 Å²	129.5	76%	0.762	70%	0.703	S	S	*	*			trans	-55.1	161.1	172.7	-86	175.9	-76.8	0	0	114.7
367	E	27.1	Very low	28.7	Very low	133 Å²	133	130.4 Å²	130.4	62%	0.621	71%	0.714	S	S	*	*			cis	-176.6	177.2	-5.8	-177.6	-175.8	-86.4	0	0	109.8
368	K	30.5	Very low	28.8	Very low	177 Å²	177	136.2 Å²	136.2	77%	0.77	73%	0.733	S	S	*	*			trans	95.1	78.2	157.1	-54	-172.8	-176.5	178.7	0	121.2
369	S	26.5	Very low	29	Very low	109 Å²	109	142.5 Å²	142.5	76%	0.762	76%	0.761	S	S	*	*				19.4	127.6	125.2	-170.6	0	0	0	0	121.7
370	V	29.6	Very low	29.3	Very low	151 Å²	151	148.4 Å²	148.4	92%	0.915	78%	0.784	S	S	*	*			trans	-139	152.3	137	-179.3	0	0	0	0	107.9
371	M	26	Very low	29.7	Very low	172 Å²	172	146.6 Å²	146.6	85%	0.847	78%	0.776	S	S	*	*			trans	-119.1	134.5	-164.8	177.8	162	61	0	0	114.4
372	S	30	Very low	29.9	Very low	103 Å²	103	150.9 Å²	150.9	72%	0.72	78%	0.782	S	S	*	*			trans	-174.8	91.6	155.5	177.9	0	0	0	0	110.2
373	S	28.7	Very low	30	Very low	84 Å²	84	146.5 Å²	146.5	59%	0.587	77%	0.771	S	S	*	*				43.8	108.1	98.6	61.5	0	0	0	0	116.6
374	H	28.8	Very low	29.8	Very low	158 Å²	158	146.1 Å²	146.1	73%	0.731	77%	0.771	S	S	*	*				-176.8	143.9	103.5	-101.9	-73.3	0	0	0	114.7
375	N	27.7	Very low	29.8	Very low	134 Å²	134	147.6 Å²	147.6	72%	0.717	77%	0.771	S	S	*	*			trans	61	81.1	149.6	-56.9	-1	0	0	0	120.8
376	Y	29.8	Very low	29.6	Very low	239 Å²	239	152.3 Å²	152.3	94%	0.937	77%	0.771	S	S	*	*			trans	-127.5	124.8	137.3	-73.4	-84.5	0	0	0	108.1
377	L	29.3	Very low	29.5	Very low	154 Å²	154	151 Å²	151	81%	0.806	77%	0.774	S	S	*	*			trans	-135.5	83.7	-177.1	-171.8	150.7	0	0	0	109.2
378	F	29.9	Very low	29.4	Very low	201 Å²	201	149.8 Å²	149.8	88%	0.882	78%	0.78	S	S	*	*	S	Bend	trans	-174.4	83	163.6	-92.8	-61.5	0	0	0	108.1
379	D	35.3	Very low	29.3	Very low	169 Å²	169	152.4 Å²	152.4	90%	0.904	79%	0.787	S	S	*	*	S	Bend	trans	-168.9	-7.2	163.2	-106.4	-20.8	0	0	0	115.8
380	E	35.5	Very low	29.2	Very low	189 Å²	189	152.1 Å²	152.1	88%	0.883	79%	0.785	S	S	*	*			trans	-97.1	-7.5	-174.6	-64.5	-160.1	154.3	0	0	116.7	F382	E380-F382 PolarHBondContact O-N 2.68Å
381	E	36	Very low	29.2	Very low	141 Å²	141	151.3 Å²	151.3	66%	0.659	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	39.1	-177	-152.7	177	173.5	0	0	114	N130	N130-E381 PolarHBondContact ND2-OE1 2.71Å; N130-E381 VanDerWaalsContact ND2-OE1 3.11Å
382	F	32.5	Very low	29.3	Very low	162 Å²	162	149.7 Å²	149.7	71%	0.711	78%	0.775	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.2	23.6	168.9	-130.6	-90.4	0	0	0	114.1	E380	E380-F382 PolarHBondContact O-N 2.68Å
383	G	28.5	Very low	29.1	Very low	55 Å²	55	149.3 Å²	149.3	57%	0.567	78%	0.778	S	S	*	*			trans	-79.9	149.2	173.1	0	0	0	0	0	114.3
384	N	27.6	Very low	29.1	Very low	147 Å²	147	150.7 Å²	150.7	79%	0.786	79%	0.788	S	S	*	*			trans	73.1	52.5	161.9	-54.3	-31.4	0	0	0	119.3
385	F	26.7	Very low	29.2	Very low	178 Å²	178	152 Å²	152	78%	0.781	79%	0.791	S	S	*	*			trans	-96.5	91.7	146.1	-75.9	-71.7	0	0	0	110
386	Q	24.6	Very low	29.2	Very low	180 Å²	180	150.1 Å²	150.1	84%	0.841	79%	0.787	S	S	*	*			trans	-81.9	119.6	178.4	-70.4	178.4	-35.4	0	0	111.6
387	T	28.4	Very low	29.1	Very low	134 Å²	134	142.2 Å²	142.2	82%	0.822	76%	0.76	S	S	*	*			trans	-132.6	109.1	159.7	-44.2	0	0	0	0	108.6
388	S	24.9	Very low	29.2	Very low	108 Å²	108	140.1 Å²	140.1	76%	0.755	75%	0.746	S	S	*	*			trans	-90.1	129	-169.4	55.5	0	0	0	0	113.6
389	Y	29.1	Very low	29.2	Very low	233 Å²	233	136 Å²	136	91%	0.914	73%	0.732	S	S	*	*			trans	-140.1	135.4	150.8	-92.3	-78.8	0	0	0	109.8
390	S	23.6	Very low	28.9	Very low	102 Å²	102	136.7 Å²	136.7	71%	0.713	73%	0.727	S	S	*	*			trans	-142.6	116.4	-171.7	159.8	0	0	0	0	111
391	V	30.9	Very low	28.6	Very low	134 Å²	134	132.7 Å²	132.7	81%	0.812	71%	0.712	S	S	*	*			trans	-143.1	95.6	162.9	-172.6	0	0	0	0	111.2
392	N	28.4	Very low	28.3	Very low	138 Å²	138	133.3 Å²	133.3	74%	0.738	71%	0.712	S	S	*	*			trans	42.2	114.9	137.9	-52.4	-17.1	0	0	0	122
393	A	25.7	Very low	28.1	Very low	95 Å²	95	132.7 Å²	132.7	79%	0.785	72%	0.715	S	S	*	*			trans	44.6	139.9	130.2	0	0	0	0	0	121.3
394	S	29	Very low	28	Very low	114 Å²	114	133.4 Å²	133.4	80%	0.797	71%	0.712	S	S	*	*			cis	-166.7	137.1	48.2	-56.6	0	0	0	0	115.7
395	K	29.2	Very low	28.2	Very low	184 Å²	184	134.6 Å²	134.6	80%	0.8	71%	0.712	S	S	*	*			trans	34.2	122	158.7	-69.3	-160.9	170.2	-161.5	0	123.1	K356	K356-K395 PolarHBondContact NZ-O 3.5Å
396	P	27.3	Very low	28.3	Very low	96 Å²	96	130.3 Å²	130.3	62%	0.623	70%	0.704	S	S	*	*			trans	-90	-177.4	169.7	42.1	-37.5	0	0	0	112.4
397	I	28.8	Very low	28.5	Very low	73 Å²	73	128.8 Å²	128.8	37%	0.374	70%	0.702	S	S	.	*			trans	-167.1	145.2	162.7	-141.8	149.5	0	0	0	110.1	K356 V357 A358 T359	K356-I397 HydrophobicContact CD-CG2 4.1Å; K356-I397 HydrophobicContact CG-CG2 4.29Å; V357-I397 CarbonylContact C-O 3.01Å; V357-I397 CarbonylContact O-C 3.58Å; V357-I397 WeakPolarHBondContact O-CG2 3.32Å; A358-I397 HydrophobicContact CB-CB 4.18Å; A358-I397 HydrophobicContact CB-CG1 3.84Å; A358-I397 HydrophobicContact CB-CG2 3.79Å; A358-I397 PolarHBondContact N-O 3.46Å; T359-I397 VanDerWaalsContact OG1-C 3.28Å; T359-I397 WeakPolarHBondContact OG1-CA 3.47Å
398	E	31	Very low	28.6	Very low	109 Å²	109	127.9 Å²	127.9	51%	0.509	70%	0.701	S	S	.	*			trans	-141.3	121.1	-175.8	-55	101.4	139.4	0	0	120.6	V357 A358 T359	V357-E398 HydrophobicContact CG1-CB 3.73Å; V357-E398 HydrophobicContact CG1-CG 4.08Å; A358-E398 VanDerWaalsContact C-CA 3.49Å; A358-E398 CarbonylContact C-O 3.48Å; A358-E398 VanDerWaalsContact CA-C 3.43Å; A358-E398 VanDerWaalsContact CA-CA 3.48Å; A358-E398 CarbonylContact O-C 3.33Å; T359-E398 VanDerWaalsContact CA-O 3.25Å; T359-E398 WeakPolarHBondContact CA-O 3.49Å; T359-E398 HydrophobicContact CG2-CB 4.37Å; T359-E398 PolarHBondContact N-O 2.9Å; T359-E398 PolarHBondContact OG1-N 3.12Å; T359-E398 PolarHBondContact OG1-OE2 2.67Å
399	I	30.7	Very low	28.8	Very low	116 Å²	116	131 Å²	131	60%	0.595	71%	0.709	S	S	*	*			trans	-132.3	-174.2	-165.3	-146.5	175.1	0	0	0	117	A358	A358-I399 HydrophobicContact CB-CB 4.07Å; A358-I399 HydrophobicContact CB-CD1 4.2Å; A358-I399 HydrophobicContact CB-CG1 4.5Å; A358-I399 VanDerWaalsContact N-CB 3.33Å; A358-I399 WeakPolarHBondContact O-CA 3.32Å; A358-I399 WeakPolarHBondContact O-CB 3.41Å; A358-I399 VanDerWaalsContact O-CG1 3.31Å; A358-I399 WeakPolarHBondContact O-CG1 3.28Å; A358-I399 PolarHBondContact O-N 3.17Å
400	F	27.8	Very low	28.7	Very low	182 Å²	182	123.8 Å²	123.8	80%	0.798	70%	0.697	S	S	*	*			trans	-133.6	170.5	-175.4	-110	-119.7	0	0	0	112.4
401	D	30	Very low	28.9	Very low	106 Å²	106	125.6 Å²	125.6	57%	0.567	70%	0.704	S	S	*	*				-170.6	-178.4	64.7	-151.1	5.6	0	0	0	116.4
402	K	30.5	Very low	28.8	Very low	153 Å²	153	123.2 Å²	123.2	67%	0.665	70%	0.699	S	S	*	*			trans	-53.7	-176.2	-176.6	-45.7	132.8	-169.2	111.5	0	116
403	L	26.4	Very low	28.9	Very low	149 Å²	149	123.5 Å²	123.5	78%	0.78	70%	0.698	S	S	*	*			cis	-145.3	-171.6	18	-54.1	77.3	0	0	0	110.2
404	S	28	Very low	29	Very low	71 Å²	71	125.2 Å²	125.2	50%	0.497	69%	0.694	S	S	.	*			cis	-167.4	165	2	-139.2	0	0	0	0	114.1
405	H	30.6	Very low	29.2	Very low	171 Å²	171	127.2 Å²	127.2	79%	0.792	70%	0.696	S	S	*	*			trans	56	156.1	149.6	-54.6	-35	0	0	0	121.4
406	S	29.8	Very low	29.1	Very low	88 Å²	88	124.7 Å²	124.7	62%	0.615	70%	0.696	S	S	*	*			cis	-173.2	143.6	-24.9	58.1	0	0	0	0	114.2
407	N	29.1	Very low	29.1	Very low	148 Å²	148	125.7 Å²	125.7	79%	0.791	70%	0.703	S	S	*	*			trans	79.1	154.6	140.2	-64	-6.1	0	0	0	124.5
408	S	30.5	Very low	29	Very low	115 Å²	115	130.5 Å²	130.5	80%	0.804	73%	0.728	S	S	*	*			trans	62.4	118.4	175.5	48.5	0	0	0	0	117.4
409	L	27.4	Very low	28.9	Very low	175 Å²	175	134.2 Å²	134.2	92%	0.916	74%	0.743	S	S	*	*			cis	85.4	120.4	26.1	-163.4	87.1	0	0	0	115.1
410	A	28.5	Very low	28.8	Very low	81 Å²	81	136.7 Å²	136.7	67%	0.669	76%	0.757	S	S	*	*			trans	145.1	98.2	131.5	0	0	0	0	0	116.2
411	T	27.5	Very low	28.8	Very low	139 Å²	139	133.5 Å²	133.5	85%	0.853	75%	0.754	S	S	*	*			trans	58.2	139.2	137.8	21.6	0	0	0	0	124.6
412	A	28.8	Very low	28.7	Very low	85 Å²	85	135.6 Å²	135.6	70%	0.702	76%	0.764	S	S	*	*			trans	79.5	150.1	135.7	0	0	0	0	0	119.5
413	I	30.2	Very low	28.8	Very low	143 Å²	143	137.9 Å²	137.9	73%	0.733	78%	0.777	S	S	*	*			cis	-163.1	158.1	-12.4	-113.8	168.9	0	0	0	109.5
414	N	27.8	Very low	29	Very low	131 Å²	131	136.6 Å²	136.6	70%	0.701	77%	0.765	S	S	*	*			trans	57.4	118.3	163.7	-68.7	-10.2	0	0	0	121.8
415	N	32.5	Very low	29.2	Very low	156 Å²	156	140.5 Å²	140.5	83%	0.834	78%	0.78	S	S	*	*				165.1	140.6	102.4	-86.1	-48.1	0	0	0	114.5
416	T	27.7	Very low	29.3	Very low	131 Å²	131	136.1 Å²	136.1	80%	0.804	77%	0.773	S	S	*	*			trans	-84.9	171.4	172	42.3	0	0	0	0	112.7
417	P	27.8	Very low	29.5	Very low	118 Å²	118	140.7 Å²	140.7	77%	0.766	78%	0.779	S	S	*	*			cis	-129.2	160.7	9.3	40.6	-25.4	0	0	0	116
418	L	27.2	Very low	29.7	Very low	173 Å²	173	140.1 Å²	140.1	91%	0.906	78%	0.775	S	S	*	*			trans	-136.5	159.3	175.2	-100.7	166.1	0	0	0	114.3
419	K	28	Very low	29.9	Very low	188 Å²	188	140.7 Å²	140.7	82%	0.817	77%	0.774	S	S	*	*			trans	-70.3	165.1	-165.8	-63.6	166.6	177.4	172	0	113.9
420	L	29	Very low	30.4	Very low	168 Å²	168	138.1 Å²	138.1	88%	0.88	77%	0.765	S	S	*	*			trans	-50.4	146.1	166	-75	72.4	0	0	0	111.6
421	P	27	Very low	31	Very low	115 Å²	115	141.6 Å²	141.6	75%	0.747	77%	0.768	S	S	*	*				-136.4	123.9	129	34	-21	0	0	0	114.4
422	I	28.7	Very low	31.2	Very low	149 Å²	149	142.6 Å²	142.6	76%	0.764	77%	0.768	S	S	*	*			trans	16.8	113.5	131.9	-53.5	171.5	0	0	0	116	K424	I422-K424 PolarHBondContact O-N 2.79Å
423	Q	32.5	Very low	31.3	Very low	201 Å²	201	147.2 Å²	147.2	94%	0.939	77%	0.772	S	S	*	*			trans	-72.1	109.3	167.1	-69.1	177.5	-42.2	0	0	110.8
424	K	31.1	Very low	31.5	Very low	123 Å²	123	144.6 Å²	144.6	54%	0.535	76%	0.758	S	S	.	*			trans	-132.4	-4.7	169.7	-121.8	-168.4	175.8	-122.9	0	116.4	D41 I422	D41-K424 IonicContact OD1-NZ 2.68Å; D41-K424 PolarHBondContact OD1-NZ 3.35Å; I422-K424 PolarHBondContact O-N 2.79Å
425	N	30.8	Very low	31.7	Very low	152 Å²	152	144.6 Å²	144.6	81%	0.813	76%	0.758	S	S	*	*			trans	-104.5	26.4	-164.8	-64.4	20.7	0	0	0	115.2
426	A	33.8	Very low	32.1	Very low	79 Å²	79	142.4 Å²	142.4	65%	0.653	76%	0.755	S	S	*	*	S	Bend	trans	-88.3	-21.7	-177.7	0	0	0	0	0	114.8
427	Y	33.1	Very low	33	Very low	185 Å²	185	141.3 Å²	141.3	73%	0.725	75%	0.752	S	S	*	*	S	Bend	trans	-84.6	-28.4	-166.2	-78.9	-88	0	0	0	114.9	V429	Y427-V429 PolarHBondContact O-N 2.92Å
428	N	33.9	Very low	34.6	Very low	135 Å²	135	139.6 Å²	139.6	72%	0.722	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	5	-161.6	-58.2	19.2	0	0	0	114.4
429	V	35.1	Very low	37.2	Very low	127 Å²	127	133.6 Å²	133.6	77%	0.77	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.2	-17	-174.5	-178.3	0	0	0	0	112.8	Y427	Y427-V429 PolarHBondContact O-N 2.92Å
430	V	38.3	Very low	40	Very low	122 Å²	122	125.9 Å²	125.9	74%	0.739	67%	0.674	S	S	*	*	S	Bend	trans	-91.9	-22.6	-173.5	-175.4	0	0	0	0	113.1	N432	V430-N432 PolarHBondContact O-N 3.05Å
431	Q	39.7	Very low	42.9	Very low	153 Å²	153	120.8 Å²	120.8	72%	0.715	64%	0.644	S	S	*	*	S	Bend	trans	-70.2	-24.6	-168.4	-67.9	-176.4	-21.5	0	0	115.1	K433	Q431-K433 VanDerWaalsContact C-N 3.33Å; Q431-K433 PolarHBondContact O-N 3.38Å; Q431-K433 VanDerWaalsContact O-N 3.12Å
432	N	33.1	Very low	45.8	Very low	160 Å²	160	119.9 Å²	119.9	86%	0.856	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.3	45.1	-173.6	-76.4	-11.5	0	0	0	114.5	V430	V430-N432 PolarHBondContact O-N 3.05Å
433	K	30.4	Very low	48.8	Very low	183 Å²	183	114.9 Å²	114.9	80%	0.796	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-149.6	-7	176	-136	-174.8	178.9	-169.3	0	118.5	Q431 N435	Q431-K433 VanDerWaalsContact C-N 3.33Å; Q431-K433 PolarHBondContact O-N 3.38Å; Q431-K433 VanDerWaalsContact O-N 3.12Å; K433-N435 VanDerWaalsContact C-N 3.27Å; K433-N435 PolarHBondContact O-N 3.01Å
434	M	33.6	Very low	51.7	Low	88 Å²	88	105.3 Å²	105.3	43%	0.433	56%	0.558	S	S	.	*			trans	-84.4	63.9	-171.2	-123.4	173.6	-175.2	0	0	113.5	R181 S436 E438	R181-M434 PolarHBondContact NH2-O 2.55Å; M434-S436 PolarHBondContact O-N 2.83Å; M434-E438 WeakPolarHBondContact CE-OE1 3.47Å; M434-E438 VanDerWaalsContact CE-OE2 3.23Å; M434-E438 WeakPolarHBondContact CE-OE2 3.48Å
435	N	33.1	Very low	54.7	Low	131 Å²	131	101.2 Å²	101.2	70%	0.701	54%	0.542	S	S	*	.			trans	-78.3	77.4	178.7	-69.9	6.5	0	0	0	111.6	K433 S437	K433-N435 VanDerWaalsContact C-N 3.27Å; K433-N435 PolarHBondContact O-N 3.01Å; N435-S437 VanDerWaalsContact C-N 3.28Å; N435-S437 PolarHBondContact O-N 3.17Å; N435-S437 PolarHBondContact O-OG 2.97Å; N435-S437 VanDerWaalsContact O-OG 3.14Å
436	S	39.7	Very low	57.7	Low	110 Å²	110	97.8 Å²	97.8	77%	0.769	52%	0.521	S	S	*	.	S	Bend	trans	51.3	19	145.4	57.3	0	0	0	0	120.6	M434	M434-S436 PolarHBondContact O-N 2.83Å
437	S	47.6	Very low	60.6	Low	107 Å²	107	94 Å²	94	75%	0.748	49%	0.489	S	S	*	.			trans	-145.9	8.3	-177.1	60.2	0	0	0	0	117.3	N435 S439	N435-S437 VanDerWaalsContact C-N 3.28Å; N435-S437 PolarHBondContact O-N 3.17Å; N435-S437 PolarHBondContact O-OG 2.97Å; N435-S437 VanDerWaalsContact O-OG 3.14Å; S437-S439 PolarHBondContact O-N 3.48Å
438	E	62.2	Low	63.6	Low	83 Å²	83	85.2 Å²	85.2	39%	0.388	46%	0.455	S	S	.	.			trans	-60.6	122.8	175.1	-75.2	-178.8	-162.8	0	0	111.6	M434 Q443	M434-E438 WeakPolarHBondContact CE-OE1 3.47Å; M434-E438 VanDerWaalsContact CE-OE2 3.23Å; M434-E438 WeakPolarHBondContact CE-OE2 3.48Å; E438-Q443 HydrophobicContact CB-CG 4.12Å; E438-Q443 PolarHBondContact O-NE2 3.01Å
439	S	80.7	Confident	66.5	Low	46 Å²	46	81.9 Å²	81.9	32%	0.322	44%	0.44	S	S	.	.			trans	-66.9	160.1	-179.9	65.2	0	0	0	0	112.4	S437 Y441 E442 Q443	S437-S439 PolarHBondContact O-N 3.48Å; S439-Y441 PolarHBondContact O-N 2.94Å; S439-E442 VanDerWaalsContact CB-OE2 3.26Å; S439-E442 WeakPolarHBondContact CB-OE2 3.44Å; S439-E442 PolarHBondContact N-OE2 2.88Å; S439-E442 PolarHBondContact O-N 3.33Å; S439-E442 VanDerWaalsContact O-N 3.16Å; S439-E442 WeakPolarHBondContact OG-CG 3.42Å; S439-E442 PolarHBondContact OG-N 2.86Å; S439-E442 VanDerWaalsContact OG-N 3.14Å; S439-E442 PolarHBondContact OG-OE2 2.7Å; S439-Q443 PolarHBondContact O-N 2.69Å
440	L	86.7	Confident	69.3	Low	27 Å²	27	77 Å²	77	14%	0.141	41%	0.409	C	S	.	.	H	α-helix	trans	-57.1	-35.7	171.6	-179.8	62.6	0	0	0	111.6	W444 V506 L570 L630 P633	L440-W444 HydrophobicContact CD1-CD2 3.86Å; L440-W444 HydrophobicContact CD1-CE3 4.24Å; L440-W444 HydrophobicContact CD1-CG 4.32Å; L440-W444 HydrophobicContact CD1-CH2 4.43Å; L440-W444 HydrophobicContact CD1-CZ2 4.04Å; L440-W444 HydrophobicContact CD1-CZ3 4.49Å; L440-W444 HydrophobicContact CD2-CE3 4.26Å; L440-W444 HydrophobicContact CD2-CH2 3.98Å; L440-W444 HydrophobicContact CD2-CZ2 4.38Å; L440-W444 HydrophobicContact CD2-CZ3 3.89Å; L440-W444 HydrophobicContact CG-CD2 4Å; L440-W444 HydrophobicContact CG-CE3 3.87Å; L440-W444 HydrophobicContact CG-CH2 4.34Å; L440-W444 HydrophobicContact CG-CZ2 4.44Å; L440-W444 HydrophobicContact CG-CZ3 4.03Å; L440-W444 WeakPolarHBondContact O-CB 3.47Å; L440-W444 PolarHBondContact O-N 3Å; L440-V506 HydrophobicContact CD2-CG2 4.16Å; L440-L570 HydrophobicContact CD1-CD1 3.95Å; L440-L570 HydrophobicContact CD2-CD1 3.79Å; L440-L630 HydrophobicContact CD1-CB 4.27Å; L440-L630 HydrophobicContact CD1-CD1 3.81Å; L440-L630 HydrophobicContact CD1-CD2 4Å; L440-L630 HydrophobicContact CD1-CG 4.25Å; L440-P633 HydrophobicContact CD2-CG 3.57Å
441	Y	89.6	Confident	72	Confident	61 Å²	61	71.2 Å²	71.2	24%	0.239	37%	0.374	C	S	.	.	H	α-helix	trans	-59.3	-49.9	173.8	162.8	-105.9	0	0	0	112.1	S439 W444 L445 N508 M511	S439-Y441 PolarHBondContact O-N 2.94Å; Y441-W444 PolarHBondContact O-N 3.32Å; Y441-L445 HydrophobicContact CE1-CD2 4.41Å; Y441-L445 HydrophobicContact CE2-CD2 4.27Å; Y441-L445 WeakPolarHBondContact O-CB 3.08Å; Y441-L445 PolarHBondContact O-N 3.35Å; Y441-N508 HydrophobicContact CD2-CB 4.07Å; Y441-N508 HydrophobicContact CE2-CB 3.5Å; Y441-N508 VanDerWaalsContact CE2-CB 3.5Å; Y441-M511 HydrophobicContact CD2-CG 4.11Å; Y441-M511 HydrophobicContact CD2-SD 3.67Å; Y441-M511 HydrophobicContact CE2-CG 3.91Å; Y441-M511 HydrophobicContact CE2-SD 4.09Å
442	E	89.3	Confident	74.7	Confident	96 Å²	96	65 Å²	65	45%	0.449	35%	0.346	S	S	.	.	H	α-helix	trans	-65.4	-44.7	180	-73.8	156.3	129.1	0	0	111.8	S439 W444 L445 H446	S439-E442 VanDerWaalsContact CB-OE2 3.26Å; S439-E442 WeakPolarHBondContact CB-OE2 3.44Å; S439-E442 PolarHBondContact N-OE2 2.88Å; S439-E442 PolarHBondContact O-N 3.33Å; S439-E442 VanDerWaalsContact O-N 3.16Å; S439-E442 WeakPolarHBondContact OG-CG 3.42Å; S439-E442 PolarHBondContact OG-N 2.86Å; S439-E442 VanDerWaalsContact OG-N 3.14Å; S439-E442 PolarHBondContact OG-OE2 2.7Å; E442-W444 PolarHBondContact O-N 3.39Å; E442-L445 PolarHBondContact O-N 3.12Å; E442-H446 WeakPolarHBondContact O-CB 3.48Å; E442-H446 PolarHBondContact O-N 2.87Å
443	Q	89.9	Confident	77.5	Confident	44 Å²	44	62.6 Å²	62.6	21%	0.206	33%	0.328	C	S	.	.	H	α-helix	trans	-63	-40.3	178.8	-71.7	-179.2	72.3	0	0	112.3	E438 S439 C447 W619 L630	E438-Q443 HydrophobicContact CB-CG 4.12Å; E438-Q443 PolarHBondContact O-NE2 3.01Å; S439-Q443 PolarHBondContact O-N 2.69Å; Q443-C447 WeakPolarHBondContact O-CB 3.23Å; Q443-C447 PolarHBondContact O-N 3.35Å; Q443-C447 VanDerWaalsContact O-N 3.15Å; Q443-W619 HydrophobicContact CB-CH2 4.25Å; Q443-L630 HydrophobicContact CB-CD2 4.4Å; Q443-L630 VanDerWaalsContact OE1-CD2 3.22Å
444	W	94.5	Very high	80.3	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-72.8	-40.7	173.1	-79.8	-15.2	0	0	0	113.1	L440 Y441 E442 H446 C447 L448 I497 A501 Y504 V506 M511 V568 L570	L440-W444 HydrophobicContact CD1-CD2 3.86Å; L440-W444 HydrophobicContact CD1-CE3 4.24Å; L440-W444 HydrophobicContact CD1-CG 4.32Å; L440-W444 HydrophobicContact CD1-CH2 4.43Å; L440-W444 HydrophobicContact CD1-CZ2 4.04Å; L440-W444 HydrophobicContact CD1-CZ3 4.49Å; L440-W444 HydrophobicContact CD2-CE3 4.26Å; L440-W444 HydrophobicContact CD2-CH2 3.98Å; L440-W444 HydrophobicContact CD2-CZ2 4.38Å; L440-W444 HydrophobicContact CD2-CZ3 3.89Å; L440-W444 HydrophobicContact CG-CD2 4Å; L440-W444 HydrophobicContact CG-CE3 3.87Å; L440-W444 HydrophobicContact CG-CH2 4.34Å; L440-W444 HydrophobicContact CG-CZ2 4.44Å; L440-W444 HydrophobicContact CG-CZ3 4.03Å; L440-W444 WeakPolarHBondContact O-CB 3.47Å; L440-W444 PolarHBondContact O-N 3Å; Y441-W444 PolarHBondContact O-N 3.32Å; E442-W444 PolarHBondContact O-N 3.39Å; W444-H446 VanDerWaalsContact C-N 3.33Å; W444-H446 PolarHBondContact O-N 2.67Å; W444-C447 WeakPolarHBondContact O-CB 3Å; W444-C447 PolarHBondContact O-N 3.19Å; W444-L448 WeakPolarHBondContact O-CB 3.39Å; W444-L448 WeakPolarHBondContact O-CG 3.27Å; W444-L448 PolarHBondContact O-N 3.09Å; W444-I497 HydrophobicContact CB-CG2 4.27Å; W444-I497 HydrophobicContact CD2-CG2 3.86Å; W444-I497 HydrophobicContact CE3-CG2 4.38Å; W444-I497 HydrophobicContact CG-CG2 3.84Å; W444-A501 HydrophobicContact CE3-CB 4.2Å; W444-A501 HydrophobicContact CZ3-CB 3.87Å; W444-Y504 HydrophobicContact CH2-CD2 4.22Å; W444-V506 HydrophobicContact CE3-CB 4.5Å; W444-V506 HydrophobicContact CE3-CG1 4.25Å; W444-V506 HydrophobicContact CZ3-CB 4.16Å; W444-V506 HydrophobicContact CZ3-CG1 4.35Å; W444-V506 HydrophobicContact CZ3-CG2 4.22Å; W444-M511 HydrophobicContact CB-CE 3.89Å; W444-M511 HydrophobicContact CE3-CE 4.18Å; W444-V568 PolarHBondContact NE1-O 2.87Å; W444-L570 HydrophobicContact CH2-CB 4.41Å; W444-L570 HydrophobicContact CH2-CD1 4.04Å; W444-L570 HydrophobicContact CZ2-CB 3.98Å; W444-L570 HydrophobicContact CZ2-CD1 3.73Å; W444-L570 HydrophobicContact CZ2-CG 3.92Å
445	L	94.3	Very high	83.1	Confident	37 Å²	37	50.1 Å²	50.1	19%	0.194	27%	0.272	C	S	.	.	H	α-helix	trans	-62.2	-40.8	177.6	-176.8	65.2	0	0	0	111.4	Y441 E442 T449 M511 V514	Y441-L445 HydrophobicContact CE1-CD2 4.41Å; Y441-L445 HydrophobicContact CE2-CD2 4.27Å; Y441-L445 WeakPolarHBondContact O-CB 3.08Å; Y441-L445 PolarHBondContact O-N 3.35Å; E442-L445 PolarHBondContact O-N 3.12Å; L445-T449 VanDerWaalsContact O-CB 3.3Å; L445-T449 WeakPolarHBondContact O-CB 3.12Å; L445-T449 PolarHBondContact O-N 2.81Å; L445-T449 PolarHBondContact O-OG1 2.88Å; L445-M511 HydrophobicContact CD1-CG 4.08Å; L445-V514 HydrophobicContact CD1-CG2 4.14Å
446	H	92.5	Very high	86	Confident	79 Å²	79	47.3 Å²	47.3	37%	0.366	26%	0.257	S	S	.	.	H	α-helix	trans	-60.8	-49.4	172.2	-179.8	1.8	0	0	0	111.3	E442 W444 L448 T449 D450	E442-H446 WeakPolarHBondContact O-CB 3.48Å; E442-H446 PolarHBondContact O-N 2.87Å; W444-H446 VanDerWaalsContact C-N 3.33Å; W444-H446 PolarHBondContact O-N 2.67Å; H446-L448 PolarHBondContact O-N 2.99Å; H446-T449 PolarHBondContact O-N 3.14Å; H446-D450 IonicContact CE1-OD2 3.88Å; H446-D450 PolarHBondContact CE1-OD2 3.06Å; H446-D450 IonicContact ND1-OD2 3.98Å; H446-D450 PolarHBondContact ND1-OD2 2.68Å; H446-D450 PolarHBondContact O-N 3.34Å; H446-D450 VanDerWaalsContact O-N 3.12Å
447	C	94.5	Very high	88.3	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-55.8	-48.8	178.2	-173.6	0	0	0	0	112.3	Q443 W444 T449 D450 C451 W619 I623	Q443-C447 WeakPolarHBondContact O-CB 3.23Å; Q443-C447 PolarHBondContact O-N 3.35Å; Q443-C447 VanDerWaalsContact O-N 3.15Å; W444-C447 WeakPolarHBondContact O-CB 3Å; W444-C447 PolarHBondContact O-N 3.19Å; C447-T449 PolarHBondContact O-N 2.89Å; C447-D450 PolarHBondContact O-N 3.41Å; C447-C451 PolarHBondContact O-N 2.91Å; C447-C451 PolarHBondContact O-SG 3.45Å; C447-W619 HydrophobicContact CB-CE3 4.39Å; C447-W619 HydrophobicContact CB-CZ3 4Å; C447-I623 HydrophobicContact CB-CD1 4.44Å; C447-I623 HydrophobicContact CB-CG1 4.33Å
448	L	96.4	Very high	90.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-67.1	-35.2	178.8	-64.3	168.7	0	0	0	112.4	W444 H446 C451 L452 T494 I497 M511 V514 F515 I518	W444-L448 WeakPolarHBondContact O-CB 3.39Å; W444-L448 WeakPolarHBondContact O-CG 3.27Å; W444-L448 PolarHBondContact O-N 3.09Å; H446-L448 PolarHBondContact O-N 2.99Å; L448-C451 WeakPolarHBondContact O-CB 3.31Å; L448-C451 PolarHBondContact O-N 2.89Å; L448-L452 PolarHBondContact O-N 2.6Å; L448-T494 HydrophobicContact CD2-CG2 3.88Å; L448-I497 HydrophobicContact CD1-CG2 4.17Å; L448-I497 HydrophobicContact CD2-CB 4.39Å; L448-I497 HydrophobicContact CD2-CD1 4.27Å; L448-I497 HydrophobicContact CD2-CG2 4.19Å; L448-I497 HydrophobicContact CG-CG2 4.37Å; L448-M511 HydrophobicContact CD1-CE 3.67Å; L448-V514 HydrophobicContact CB-CG1 3.7Å; L448-F515 HydrophobicContact CD1-CD1 4.21Å; L448-F515 HydrophobicContact CD1-CE1 3.48Å; L448-F515 VanDerWaalsContact CD1-CE1 3.48Å; L448-F515 HydrophobicContact CD1-CE2 4.16Å; L448-F515 HydrophobicContact CD1-CZ 3.44Å; L448-F515 VanDerWaalsContact CD1-CZ 3.44Å; L448-F515 HydrophobicContact CD2-CD1 4.14Å; L448-F515 HydrophobicContact CD2-CE1 3.54Å; L448-F515 HydrophobicContact CD2-CZ 4.3Å; L448-F515 HydrophobicContact CG-CE1 4.16Å; L448-I518 HydrophobicContact CB-CD1 4.12Å; L448-I518 HydrophobicContact CD2-CD1 4.06Å
449	T	96.1	Very high	91.6	Very high	66 Å²	66	37.6 Å²	37.6	41%	0.405	19%	0.191	S	C	.	.	H	α-helix	trans	-64.2	-43.5	177.3	-60.4	0	0	0	0	111.6	L445 H446 C447 L452 K453	L445-T449 VanDerWaalsContact O-CB 3.3Å; L445-T449 WeakPolarHBondContact O-CB 3.12Å; L445-T449 PolarHBondContact O-N 2.81Å; L445-T449 PolarHBondContact O-OG1 2.88Å; H446-T449 PolarHBondContact O-N 3.14Å; C447-T449 PolarHBondContact O-N 2.89Å; T449-L452 PolarHBondContact O-N 3.21Å; T449-K453 WeakPolarHBondContact O-CB 3.28Å; T449-K453 PolarHBondContact O-N 2.89Å
450	D	93.5	Very high	92	Very high	24 Å²	24	41.5 Å²	41.5	13%	0.128	21%	0.207	C	C	.	.	H	α-helix	trans	-73.7	-23.9	174.2	-81.4	-70.5	0	0	0	112.8	H446 C447 K453 V454 F618 I623	H446-D450 IonicContact CE1-OD2 3.88Å; H446-D450 PolarHBondContact CE1-OD2 3.06Å; H446-D450 IonicContact ND1-OD2 3.98Å; H446-D450 PolarHBondContact ND1-OD2 2.68Å; H446-D450 PolarHBondContact O-N 3.34Å; H446-D450 VanDerWaalsContact O-N 3.12Å; C447-D450 PolarHBondContact O-N 3.41Å; D450-K453 WeakPolarHBondContact OD1-CD 3.47Å; D450-K453 IonicContact OD1-NZ 2.76Å; D450-K453 PolarHBondContact OD1-NZ 3.3Å; D450-V454 WeakPolarHBondContact O-CG2 3.45Å; D450-V454 PolarHBondContact O-N 3.08Å; D450-F618 HydrophobicContact CB-CZ 4.45Å; D450-I623 HydrophobicContact CB-CD1 3.73Å
451	C	94.3	Very high	91.9	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-62.1	-51	167.5	-65.1	0	0	0	0	111.1	C447 L448 K453 V454 F455 I490 M493 T494 I518 F618	C447-C451 PolarHBondContact O-N 2.91Å; C447-C451 PolarHBondContact O-SG 3.45Å; L448-C451 WeakPolarHBondContact O-CB 3.31Å; L448-C451 PolarHBondContact O-N 2.89Å; C451-K453 VanDerWaalsContact C-N 3.29Å; C451-K453 PolarHBondContact O-N 3.37Å; C451-V454 PolarHBondContact O-N 3.05Å; C451-F455 HydrophobicContact CB-CE2 4.47Å; C451-F455 VanDerWaalsContact O-CD2 3.23Å; C451-F455 WeakPolarHBondContact O-CD2 3.48Å; C451-F455 PolarHBondContact O-N 3.15Å; C451-I490 HydrophobicContact CB-CG2 4.22Å; C451-M493 WeakPolarHBondContact SG-CE 3.44Å; C451-T494 HydrophobicContact CB-CG2 3.67Å; C451-I518 HydrophobicContact CB-CD1 4.26Å; C451-F618 HydrophobicContact CB-CZ 4.22Å; C451-F618 WeakPolarHBondContact SG-CE1 3.46Å; C451-F618 WeakPolarHBondContact SG-CZ 3.33Å
452	L	96.1	Very high	91.7	Very high	23 Å²	23	39.6 Å²	39.6	12%	0.12	20%	0.203	C	C	.	.	H	α-helix	trans	-58.4	-42	177.8	178.7	54.3	0	0	0	111.6	L448 T449 F455 N456 V514 D517 I518	L448-L452 PolarHBondContact O-N 2.6Å; T449-L452 PolarHBondContact O-N 3.21Å; L452-F455 PolarHBondContact O-N 3.21Å; L452-N456 WeakPolarHBondContact O-CB 3.4Å; L452-N456 VanDerWaalsContact O-CG 3.22Å; L452-N456 PolarHBondContact O-N 3.38Å; L452-N456 PolarHBondContact O-ND2 3.21Å; L452-V514 HydrophobicContact CD2-CG1 4.33Å; L452-D517 HydrophobicContact CD1-CB 3.83Å; L452-D517 HydrophobicContact CD2-CB 3.69Å; L452-D517 HydrophobicContact CG-CB 4.44Å; L452-I518 HydrophobicContact CB-CD1 4.49Å; L452-I518 HydrophobicContact CB-CG1 3.85Å; L452-I518 HydrophobicContact CD1-CG1 4.26Å
453	K	93.3	Very high	91.5	Very high	109 Å²	109	38.4 Å²	38.4	47%	0.474	21%	0.205	S	C	.	.	H	α-helix	trans	-61	-46.6	174.3	-178	-173.1	174.9	-174.8	0	112.5	T449 D450 C451 F455 N456 D457	T449-K453 WeakPolarHBondContact O-CB 3.28Å; T449-K453 PolarHBondContact O-N 2.89Å; D450-K453 WeakPolarHBondContact OD1-CD 3.47Å; D450-K453 IonicContact OD1-NZ 2.76Å; D450-K453 PolarHBondContact OD1-NZ 3.3Å; C451-K453 VanDerWaalsContact C-N 3.29Å; C451-K453 PolarHBondContact O-N 3.37Å; K453-F455 VanDerWaalsContact C-N 3.29Å; K453-F455 PolarHBondContact O-N 3.36Å; K453-N456 PolarHBondContact O-N 3.49Å; K453-N456 VanDerWaalsContact O-N 3.15Å; K453-D457 WeakPolarHBondContact O-CB 3.24Å; K453-D457 PolarHBondContact O-N 3Å
454	V	89.1	Confident	91.2	Very high	9 Å²	9	38.8 Å²	38.8	6%	0.055	21%	0.213	C	C	.	.	H	α-helix	trans	-59.1	-40.2	175.4	167.7	0	0	0	0	111.3	D450 C451 S458 I490 F618	D450-V454 WeakPolarHBondContact O-CG2 3.45Å; D450-V454 PolarHBondContact O-N 3.08Å; C451-V454 PolarHBondContact O-N 3.05Å; V454-S458 VanDerWaalsContact O-CB 3.28Å; V454-S458 WeakPolarHBondContact O-CB 3.44Å; V454-S458 PolarHBondContact O-N 3.28Å; V454-S458 VanDerWaalsContact O-N 3.07Å; V454-S458 PolarHBondContact O-OG 3.48Å; V454-I490 HydrophobicContact CG1-CD1 4Å; V454-F618 HydrophobicContact CG2-CE2 4.27Å
455	F	92.2	Very high	90.8	Very high	1 Å²	1	39.8 Å²	39.8	0%	0.004	22%	0.218	C	C	.	.	H	α-helix	trans	-68	-38.4	174.9	-63.6	-45.4	0	0	0	113.2	C451 L452 K453 S458 L459 A487 I490 I518 F522 L525	C451-F455 HydrophobicContact CB-CE2 4.47Å; C451-F455 VanDerWaalsContact O-CD2 3.23Å; C451-F455 WeakPolarHBondContact O-CD2 3.48Å; C451-F455 PolarHBondContact O-N 3.15Å; L452-F455 PolarHBondContact O-N 3.21Å; K453-F455 VanDerWaalsContact C-N 3.29Å; K453-F455 PolarHBondContact O-N 3.36Å; F455-S458 WeakPolarHBondContact O-CB 3.42Å; F455-S458 PolarHBondContact O-N 2.92Å; F455-L459 WeakPolarHBondContact O-CG 3.26Å; F455-L459 PolarHBondContact O-N 3.03Å; F455-A487 HydrophobicContact CE1-CB 4.29Å; F455-A487 WeakPolarHBondContact CE1-O 3.4Å; F455-I490 HydrophobicContact CE1-CB 4.14Å; F455-I490 HydrophobicContact CE1-CG2 4.1Å; F455-I490 HydrophobicContact CE2-CG2 4.1Å; F455-I490 HydrophobicContact CZ-CB 3.85Å; F455-I490 HydrophobicContact CZ-CG2 3.55Å; F455-I518 HydrophobicContact CD2-CG2 4.24Å; F455-I518 HydrophobicContact CE2-CG2 3.82Å; F455-F522 HydrophobicContact CE1-CD2 4.37Å; F455-L525 HydrophobicContact CB-CD1 3.87Å; F455-L525 HydrophobicContact CD1-CD1 3.36Å; F455-L525 HydrophobicContact CE1-CD1 4.22Å; F455-L525 HydrophobicContact CG-CD1 3.97Å
456	N	93.5	Very high	90.4	Very high	72 Å²	72	46.7 Å²	46.7	39%	0.385	25%	0.246	S	C	.	.	H	α-helix	trans	-70.6	-42.9	178.4	-70.7	-21.9	0	0	0	112.4	L452 K453 S458 L459 L460 S521	L452-N456 WeakPolarHBondContact O-CB 3.4Å; L452-N456 VanDerWaalsContact O-CG 3.22Å; L452-N456 PolarHBondContact O-N 3.38Å; L452-N456 PolarHBondContact O-ND2 3.21Å; K453-N456 PolarHBondContact O-N 3.49Å; K453-N456 VanDerWaalsContact O-N 3.15Å; N456-S458 PolarHBondContact O-N 2.99Å; N456-L459 PolarHBondContact O-N 2.94Å; N456-L460 WeakPolarHBondContact O-CB 3.2Å; N456-L460 PolarHBondContact O-N 3.27Å; N456-S521 PolarHBondContact OD1-OG 3.24Å
457	D	89.1	Confident	90.1	Very high	60 Å²	60	44.7 Å²	44.7	32%	0.321	24%	0.241	S	C	.	.	H	α-helix	trans	-58.8	-39.2	172.3	-72.3	-17	0	0	0	110.8	K453 L460 V461	K453-D457 WeakPolarHBondContact O-CB 3.24Å; K453-D457 PolarHBondContact O-N 3Å; D457-L460 PolarHBondContact O-N 2.84Å; D457-V461 PolarHBondContact O-N 2.8Å
458	S	88.6	Confident	89.8	Confident	7 Å²	7	50.6 Å²	50.6	5%	0.049	27%	0.27	C	S	.	.	H	α-helix	trans	-66.3	-48.1	176.4	-62.9	0	0	0	0	112.8	V454 F455 N456 L460 V461 L462 F483	V454-S458 VanDerWaalsContact O-CB 3.28Å; V454-S458 WeakPolarHBondContact O-CB 3.44Å; V454-S458 PolarHBondContact O-N 3.28Å; V454-S458 VanDerWaalsContact O-N 3.07Å; V454-S458 PolarHBondContact O-OG 3.48Å; F455-S458 WeakPolarHBondContact O-CB 3.42Å; F455-S458 PolarHBondContact O-N 2.92Å; N456-S458 PolarHBondContact O-N 2.99Å; S458-L460 VanDerWaalsContact C-N 3.27Å; S458-L460 PolarHBondContact O-N 3.06Å; S458-V461 PolarHBondContact O-N 2.85Å; S458-L462 WeakPolarHBondContact O-CG 3.3Å; S458-L462 PolarHBondContact O-N 2.87Å; S458-F483 WeakPolarHBondContact OG-CZ 3.3Å
459	L	90.3	Very high	89.4	Confident	29 Å²	29	57 Å²	57	15%	0.152	30%	0.301	C	S	.	.	H	α-helix	trans	-61.4	-36	176.3	-76.6	170.7	0	0	0	112	F455 N456 V461 L462 S463 K524 L525 F528	F455-L459 WeakPolarHBondContact O-CG 3.26Å; F455-L459 PolarHBondContact O-N 3.03Å; N456-L459 PolarHBondContact O-N 2.94Å; L459-V461 PolarHBondContact O-N 3.32Å; L459-L462 PolarHBondContact O-N 2.91Å; L459-S463 WeakPolarHBondContact O-CB 3.22Å; L459-S463 PolarHBondContact O-N 3.19Å; L459-K524 HydrophobicContact CD1-CB 4.11Å; L459-K524 HydrophobicContact CD1-CD 4.04Å; L459-K524 HydrophobicContact CD2-CB 3.61Å; L459-L525 HydrophobicContact CD2-CD2 3.62Å; L459-L525 HydrophobicContact CD2-CG 3.78Å; L459-L525 HydrophobicContact CG-CD2 3.79Å; L459-L525 HydrophobicContact CG-CG 3.89Å; L459-F528 HydrophobicContact CD2-CE2 4.3Å
460	L	87.5	Confident	89	Confident	127 Å²	127	56.3 Å²	56.3	67%	0.665	29%	0.294	S	S	*	.	H	α-helix	trans	-60.5	-44.1	175.2	-176.7	63.2	0	0	0	111.4	N456 D457 S458 S463	N456-L460 WeakPolarHBondContact O-CB 3.2Å; N456-L460 PolarHBondContact O-N 3.27Å; D457-L460 PolarHBondContact O-N 2.84Å; S458-L460 VanDerWaalsContact C-N 3.27Å; S458-L460 PolarHBondContact O-N 3.06Å; L460-S463 PolarHBondContact O-OG 3.46Å
461	V	84.3	Confident	88.7	Confident	44 Å²	44	56.8 Å²	56.8	27%	0.267	30%	0.296	S	S	.	.	H	α-helix	trans	-67.3	-48.9	176.1	175.9	0	0	0	0	111.5	I12 D457 S458 L459 S463 S464	I12-V461 HydrophobicContact CD1-CG1 4.5Å; I12-V461 HydrophobicContact CG1-CG1 4.38Å; D457-V461 PolarHBondContact O-N 2.8Å; S458-V461 PolarHBondContact O-N 2.85Å; L459-V461 PolarHBondContact O-N 3.32Å; V461-S463 VanDerWaalsContact C-N 3.27Å; V461-S463 PolarHBondContact O-N 2.88Å; V461-S464 WeakPolarHBondContact O-CB 3.34Å; V461-S464 PolarHBondContact O-N 2.91Å; V461-S464 PolarHBondContact O-OG 3.12Å
462	L	86.2	Confident	88.5	Confident	4 Å²	4	61.3 Å²	61.3	2%	0.021	32%	0.315	C	S	.	.	H	α-helix	trans	-71	-18.8	-176.3	-63	179	0	0	0	113.5	I12 S458 L459 S464 L465 F474 F483 L525 F528	I12-L462 HydrophobicContact CD1-CD2 4.45Å; S458-L462 WeakPolarHBondContact O-CG 3.3Å; S458-L462 PolarHBondContact O-N 2.87Å; L459-L462 PolarHBondContact O-N 2.91Å; L462-S464 PolarHBondContact O-N 2.89Å; L462-L465 HydrophobicContact CD2-CD1 3.77Å; L462-L465 WeakPolarHBondContact O-CB 3.28Å; L462-L465 PolarHBondContact O-N 3.12Å; L462-F474 HydrophobicContact CD1-CE1 4.16Å; L462-F474 HydrophobicContact CD1-CZ 4.17Å; L462-F474 HydrophobicContact CD2-CD1 4.32Å; L462-F474 HydrophobicContact CD2-CD2 4.34Å; L462-F474 HydrophobicContact CD2-CE1 3.82Å; L462-F474 HydrophobicContact CD2-CE2 3.85Å; L462-F474 HydrophobicContact CD2-CZ 3.57Å; L462-F483 HydrophobicContact CD1-CE1 3.96Å; L462-L525 HydrophobicContact CD1-CD2 3.79Å; L462-F528 HydrophobicContact CB-CD1 4.43Å; L462-F528 HydrophobicContact CB-CD2 4.44Å; L462-F528 HydrophobicContact CB-CE1 3.96Å; L462-F528 HydrophobicContact CB-CE2 3.96Å; L462-F528 HydrophobicContact CB-CZ 3.7Å; L462-F528 HydrophobicContact CD1-CD2 4.1Å; L462-F528 HydrophobicContact CD1-CE2 4.38Å; L462-F528 HydrophobicContact CD1-CG 4.27Å
463	S	84.8	Confident	88.1	Confident	71 Å²	71	66.1 Å²	66.1	50%	0.497	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-12	171.4	76.7	0	0	0	0	114.4	L459 L460 V461	L459-S463 WeakPolarHBondContact O-CB 3.22Å; L459-S463 PolarHBondContact O-N 3.19Å; L460-S463 PolarHBondContact O-OG 3.46Å; V461-S463 VanDerWaalsContact C-N 3.27Å; V461-S463 PolarHBondContact O-N 2.88Å
464	S	84.4	Confident	87.9	Confident	53 Å²	53	61.7 Å²	61.7	37%	0.371	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-21.1	171.7	65.2	0	0	0	0	114.1	V461 L462 K466	V461-S464 WeakPolarHBondContact O-CB 3.34Å; V461-S464 PolarHBondContact O-N 2.91Å; V461-S464 PolarHBondContact O-OG 3.12Å; L462-S464 PolarHBondContact O-N 2.89Å; S464-K466 PolarHBondContact O-N 3.43Å
465	L	86.5	Confident	87.8	Confident	20 Å²	20	61.3 Å²	61.3	11%	0.105	32%	0.316	C	S	.	.			trans	-83.8	87.6	-179.8	-53.5	179.7	0	0	0	109.9	L462 D470 Q471 F474 F528	L462-L465 HydrophobicContact CD2-CD1 3.77Å; L462-L465 WeakPolarHBondContact O-CB 3.28Å; L462-L465 PolarHBondContact O-N 3.12Å; L465-D470 HydrophobicContact CB-CB 4.15Å; L465-D470 HydrophobicContact CD2-CB 4.19Å; L465-Q471 HydrophobicContact CB-CG 3.89Å; L465-Q471 PolarHBondContact O-NE2 3.07Å; L465-F474 HydrophobicContact CD1-CB 3.69Å; L465-F474 HydrophobicContact CD1-CD1 3.9Å; L465-F474 HydrophobicContact CD1-CD2 4.28Å; L465-F474 HydrophobicContact CD1-CG 3.68Å; L465-F528 HydrophobicContact CB-CE1 4.33Å; L465-F528 HydrophobicContact CD1-CD1 4.47Å
466	K	85.3	Confident	87.6	Confident	182 Å²	182	67.7 Å²	67.7	79%	0.791	35%	0.346	S	S	*	.			trans	-95.9	-22	-170.3	-68.5	-173	178.6	-174.9	0	114.5	S464	S464-K466 PolarHBondContact O-N 3.43Å
467	S	86.7	Confident	87.2	Confident	37 Å²	37	66.1 Å²	66.1	26%	0.259	34%	0.34	S	S	.	.	S	Bend	trans	-92.9	156.5	175.7	112.8	0	0	0	0	110.7	E469 D470 Q471	S467-E469 WeakPolarHBondContact CB-OE2 3.21Å; S467-E469 PolarHBondContact O-N 3.26Å; S467-E469 WeakPolarHBondContact OG-CB 3.4Å; S467-E469 PolarHBondContact OG-N 3.22Å; S467-E469 VanDerWaalsContact OG-N 3.16Å; S467-E469 PolarHBondContact OG-OE2 2.96Å; S467-D470 PolarHBondContact N-OD2 3.13Å; S467-D470 PolarHBondContact O-N 3.37Å; S467-D470 PolarHBondContact OG-N 2.92Å; S467-Q471 WeakPolarHBondContact O-CG 3.28Å; S467-Q471 PolarHBondContact O-N 3.14Å
468	M	87.9	Confident	87	Confident	124 Å²	124	70.1 Å²	70.1	61%	0.611	36%	0.357	S	S	*	.	H	α-helix	trans	-67.1	-33	175	-71.2	-61.4	-57.9	0	0	110.9	Q471 F472	M468-Q471 PolarHBondContact O-N 3.17Å; M468-F472 WeakPolarHBondContact O-CB 3.35Å; M468-F472 PolarHBondContact O-N 3.03Å
469	E	88.2	Confident	86.6	Confident	136 Å²	136	72.6 Å²	72.6	64%	0.636	37%	0.368	S	S	*	.	H	α-helix	trans	-66.6	-44.7	175.5	-52.3	76.5	-171.8	0	0	111.3	S467 Q471 F472 E473	S467-E469 WeakPolarHBondContact CB-OE2 3.21Å; S467-E469 PolarHBondContact O-N 3.26Å; S467-E469 WeakPolarHBondContact OG-CB 3.4Å; S467-E469 PolarHBondContact OG-N 3.22Å; S467-E469 VanDerWaalsContact OG-N 3.16Å; S467-E469 PolarHBondContact OG-OE2 2.96Å; E469-Q471 PolarHBondContact O-N 3.24Å; E469-F472 PolarHBondContact O-N 2.99Å; E469-E473 WeakPolarHBondContact O-CB 3.21Å; E469-E473 PolarHBondContact O-N 3.49Å
470	D	87.8	Confident	86.1	Confident	50 Å²	50	71.2 Å²	71.2	27%	0.267	36%	0.361	S	S	.	.	H	α-helix	trans	-57	-39	172.9	-71.9	-39.3	0	0	0	111.4	L465 S467 F474	L465-D470 HydrophobicContact CB-CB 4.15Å; L465-D470 HydrophobicContact CD2-CB 4.19Å; S467-D470 PolarHBondContact N-OD2 3.13Å; S467-D470 PolarHBondContact O-N 3.37Å; S467-D470 PolarHBondContact OG-N 2.92Å; D470-F474 WeakPolarHBondContact O-CB 3.4Å; D470-F474 PolarHBondContact O-N 3.05Å
471	Q	87.7	Confident	86	Confident	35 Å²	35	66.4 Å²	66.4	16%	0.164	34%	0.337	C	S	.	.	H	α-helix	trans	-76	-33.3	179.8	-67.1	178.4	15.2	0	0	112.4	L465 S467 M468 E469 A475 F528	L465-Q471 HydrophobicContact CB-CG 3.89Å; L465-Q471 PolarHBondContact O-NE2 3.07Å; S467-Q471 WeakPolarHBondContact O-CG 3.28Å; S467-Q471 PolarHBondContact O-N 3.14Å; M468-Q471 PolarHBondContact O-N 3.17Å; E469-Q471 PolarHBondContact O-N 3.24Å; Q471-A475 WeakPolarHBondContact O-CB 2.97Å; Q471-A475 PolarHBondContact O-N 2.99Å; Q471-F528 HydrophobicContact CG-CD1 3.94Å; Q471-F528 HydrophobicContact CG-CE1 4.09Å
472	F	89.9	Confident	85.9	Confident	94 Å²	94	66.8 Å²	66.8	41%	0.412	34%	0.338	S	S	.	.	H	α-helix	trans	-71.9	-46.5	174.9	-160.4	-82.8	0	0	0	111.6	M468 E469 F474 A475 E476 V530 V531	M468-F472 WeakPolarHBondContact O-CB 3.35Å; M468-F472 PolarHBondContact O-N 3.03Å; E469-F472 PolarHBondContact O-N 2.99Å; F472-F474 PolarHBondContact O-N 3.27Å; F472-A475 PolarHBondContact O-N 3.15Å; F472-A475 VanDerWaalsContact O-N 3.15Å; F472-E476 HydrophobicContact CD1-CB 4.35Å; F472-E476 HydrophobicContact CE1-CB 4.31Å; F472-E476 VanDerWaalsContact O-CB 3.26Å; F472-E476 WeakPolarHBondContact O-CB 3.22Å; F472-E476 PolarHBondContact O-N 2.91Å; F472-V530 HydrophobicContact CB-CG2 4.21Å; F472-V530 HydrophobicContact CD2-CG2 3.9Å; F472-V530 HydrophobicContact CG-CG2 4.39Å; F472-V531 HydrophobicContact CD2-CG2 4.5Å; F472-V531 HydrophobicContact CE2-CG2 4.14Å; F472-V531 HydrophobicContact CZ-CG2 4.17Å
473	E	87.3	Confident	85.9	Confident	124 Å²	124	67.4 Å²	67.4	58%	0.579	34%	0.341	S	S	*	.	H	α-helix	trans	-54.8	-40.7	173.2	-174.9	-176.2	146.6	0	0	110.6	E469 S477	E469-E473 WeakPolarHBondContact O-CB 3.21Å; E469-E473 PolarHBondContact O-N 3.49Å; E473-S477 WeakPolarHBondContact O-CB 3.31Å; E473-S477 PolarHBondContact O-N 3.14Å
474	F	88.5	Confident	86.1	Confident	16 Å²	16	64.2 Å²	64.2	7%	0.07	32%	0.318	C	S	.	.	H	α-helix	trans	-64.8	-52.1	174.3	170.8	-109.6	0	0	0	113	I12 L462 L465 D470 F472 E476 S477 G480 F483 L484 F528	I12-F474 HydrophobicContact CD1-CD2 4.39Å; I12-F474 HydrophobicContact CD1-CE2 3.94Å; L462-F474 HydrophobicContact CD1-CE1 4.16Å; L462-F474 HydrophobicContact CD1-CZ 4.17Å; L462-F474 HydrophobicContact CD2-CD1 4.32Å; L462-F474 HydrophobicContact CD2-CD2 4.34Å; L462-F474 HydrophobicContact CD2-CE1 3.82Å; L462-F474 HydrophobicContact CD2-CE2 3.85Å; L462-F474 HydrophobicContact CD2-CZ 3.57Å; L465-F474 HydrophobicContact CD1-CB 3.69Å; L465-F474 HydrophobicContact CD1-CD1 3.9Å; L465-F474 HydrophobicContact CD1-CD2 4.28Å; L465-F474 HydrophobicContact CD1-CG 3.68Å; D470-F474 WeakPolarHBondContact O-CB 3.4Å; D470-F474 PolarHBondContact O-N 3.05Å; F472-F474 PolarHBondContact O-N 3.27Å; F474-E476 VanDerWaalsContact C-N 3.35Å; F474-E476 PolarHBondContact O-N 3.32Å; F474-S477 PolarHBondContact O-N 2.8Å; F474-S477 PolarHBondContact O-OG 3.1Å; F474-G480 WeakPolarHBondContact O-CA 3.43Å; F474-F483 AromaticContact CZ-CD1 3.88Å; F474-F483 HydrophobicContact CZ-CD1 3.88Å; F474-L484 HydrophobicContact CE1-CD1 3.89Å; F474-L484 HydrophobicContact CE1-CG 4.18Å; F474-L484 HydrophobicContact CZ-CG 4.44Å; F474-F528 HydrophobicContact CD1-CB 4.47Å; F474-F528 HydrophobicContact CE1-CB 4.22Å
475	A	87.6	Confident	86.2	Confident	2 Å²	2	63 Å²	63	2%	0.017	31%	0.307	C	S	.	.	H	α-helix	trans	-71.7	-25.8	-174.8	0	0	0	0	0	114.1	Q471 F472 F528 V530 V531 L534	Q471-A475 WeakPolarHBondContact O-CB 2.97Å; Q471-A475 PolarHBondContact O-N 2.99Å; F472-A475 PolarHBondContact O-N 3.15Å; F472-A475 VanDerWaalsContact O-N 3.15Å; A475-F528 WeakPolarHBondContact CB-O 3.42Å; A475-V530 HydrophobicContact CB-CG2 3.75Å; A475-V531 HydrophobicContact CB-CB 4.46Å; A475-V531 HydrophobicContact CB-CG2 3.87Å; A475-L534 HydrophobicContact CB-CD2 4.41Å
476	E	88	Confident	86.1	Confident	135 Å²	135	63.9 Å²	63.9	63%	0.631	31%	0.312	S	S	*	.	H	α-helix	trans	-79.4	-28.5	173.7	-173.2	171.7	-141.5	0	0	112.2	F472 F474 V531	F472-E476 HydrophobicContact CD1-CB 4.35Å; F472-E476 HydrophobicContact CE1-CB 4.31Å; F472-E476 VanDerWaalsContact O-CB 3.26Å; F472-E476 WeakPolarHBondContact O-CB 3.22Å; F472-E476 PolarHBondContact O-N 2.91Å; F474-E476 VanDerWaalsContact C-N 3.35Å; F474-E476 PolarHBondContact O-N 3.32Å; E476-V531 HydrophobicContact CB-CG2 4.24Å
477	S	85.7	Confident	86.3	Confident	38 Å²	38	55.4 Å²	55.4	27%	0.266	28%	0.276	S	S	.	.	S	Bend	trans	-62.9	142.2	176.4	76.3	0	0	0	0	112.7	E473 F474 E479 G480 C481	E473-S477 WeakPolarHBondContact O-CB 3.31Å; E473-S477 PolarHBondContact O-N 3.14Å; F474-S477 PolarHBondContact O-N 2.8Å; F474-S477 PolarHBondContact O-OG 3.1Å; S477-E479 PolarHBondContact O-N 2.93Å; S477-G480 PolarHBondContact O-N 3.2Å; S477-G480 PolarHBondContact OG-N 2.91Å; S477-C481 WeakPolarHBondContact O-CB 3.43Å; S477-C481 PolarHBondContact O-N 3.32Å
478	E	83.7	Confident	86.5	Confident	145 Å²	145	53.7 Å²	53.7	68%	0.678	26%	0.264	S	S	*	.	H	α-helix	trans	-55.5	-41.6	175.7	-176.7	-175.9	168.3	0	0	111.5	N482	E478-N482 WeakPolarHBondContact CG-ND2 3.35Å; E478-N482 VanDerWaalsContact O-CB 3.28Å; E478-N482 WeakPolarHBondContact O-CB 3.47Å; E478-N482 VanDerWaalsContact O-CG 3.26Å; E478-N482 PolarHBondContact O-N 2.86Å; E478-N482 PolarHBondContact O-ND2 2.81Å; E478-N482 VanDerWaalsContact O-ND2 3.09Å
479	E	80.1	Confident	86.5	Confident	59 Å²	59	48.7 Å²	48.7	28%	0.276	24%	0.239	S	C	.	.	H	α-helix	trans	-68.5	-37.8	-178.6	-66	137.4	111.5	0	0	112.8	R13 S477 F483	R13-E479 IonicContact CZ-OE1 3.27Å; R13-E479 IonicContact NE-OE1 3.79Å; R13-E479 PolarHBondContact NE-OE1 2.95Å; R13-E479 IonicContact NH2-OE1 4Å; R13-E479 PolarHBondContact NH2-OE1 2.91Å; R13-E479 IonicContact NH2-OE2 3.02Å; S477-E479 PolarHBondContact O-N 2.93Å; E479-F483 WeakPolarHBondContact O-CB 3.41Å; E479-F483 PolarHBondContact O-N 2.82Å; E479-F483 VanDerWaalsContact O-N 3.1Å
480	G	81	Confident	86.6	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-78.6	-37.4	177.2	0	0	0	0	0	113.6	F474 S477 F483 L484	F474-G480 WeakPolarHBondContact O-CA 3.43Å; S477-G480 PolarHBondContact O-N 3.2Å; S477-G480 PolarHBondContact OG-N 2.91Å; G480-F483 PolarHBondContact O-N 3.12Å; G480-L484 WeakPolarHBondContact O-CG 3.36Å; G480-L484 PolarHBondContact O-N 3.04Å
481	C	84.3	Confident	86.9	Confident	25 Å²	25	42.3 Å²	42.3	17%	0.169	21%	0.208	C	C	.	.	H	α-helix	trans	-60	-51.9	172.5	-179.8	0	0	0	0	111.2	S477 F483 L484 L485 L534	S477-C481 WeakPolarHBondContact O-CB 3.43Å; S477-C481 PolarHBondContact O-N 3.32Å; C481-F483 PolarHBondContact O-N 3.02Å; C481-L484 PolarHBondContact O-N 2.74Å; C481-L485 WeakPolarHBondContact O-CG 3.4Å; C481-L485 PolarHBondContact O-N 2.62Å; C481-L534 HydrophobicContact CB-CD2 4.36Å
482	N	81.5	Confident	87.1	Confident	52 Å²	52	40.7 Å²	40.7	28%	0.278	20%	0.2	S	C	.	.	H	α-helix	trans	-60.4	-45.2	175.1	-74.6	-33.7	0	0	0	111.6	E478 L484 L485 D486	E478-N482 WeakPolarHBondContact CG-ND2 3.35Å; E478-N482 VanDerWaalsContact O-CB 3.28Å; E478-N482 WeakPolarHBondContact O-CB 3.47Å; E478-N482 VanDerWaalsContact O-CG 3.26Å; E478-N482 PolarHBondContact O-N 2.86Å; E478-N482 PolarHBondContact O-ND2 2.81Å; E478-N482 VanDerWaalsContact O-ND2 3.09Å; N482-L484 VanDerWaalsContact C-N 3.31Å; N482-L484 PolarHBondContact O-N 2.77Å; N482-L485 PolarHBondContact O-N 3.11Å; N482-L485 VanDerWaalsContact O-N 3.11Å; N482-D486 VanDerWaalsContact O-CG 3.29Å; N482-D486 PolarHBondContact O-N 3.17Å
483	F	87.2	Confident	87.1	Confident	18 Å²	18	36.2 Å²	36.2	8%	0.079	18%	0.18	C	C	.	.	H	α-helix	trans	-56.9	-40.5	178.2	171.9	-87.2	0	0	0	113.3	S458 L462 F474 E479 G480 C481 D486 A487	S458-F483 WeakPolarHBondContact OG-CZ 3.3Å; L462-F483 HydrophobicContact CD1-CE1 3.96Å; F474-F483 AromaticContact CZ-CD1 3.88Å; F474-F483 HydrophobicContact CZ-CD1 3.88Å; E479-F483 WeakPolarHBondContact O-CB 3.41Å; E479-F483 PolarHBondContact O-N 2.82Å; E479-F483 VanDerWaalsContact O-N 3.1Å; G480-F483 PolarHBondContact O-N 3.12Å; C481-F483 PolarHBondContact O-N 3.02Å; F483-D486 PolarHBondContact O-N 2.62Å; F483-A487 WeakPolarHBondContact O-CB 3.23Å; F483-A487 PolarHBondContact O-N 2.99Å
484	L	88.6	Confident	87.5	Confident	4 Å²	4	30.4 Å²	30.4	2%	0.021	15%	0.154	C	C	.	.	H	α-helix	trans	-72.8	-29.6	178.8	-74	170.4	0	0	0	112.6	F474 G480 C481 N482 T488 F528 A529 L534 I538	F474-L484 HydrophobicContact CE1-CD1 3.89Å; F474-L484 HydrophobicContact CE1-CG 4.18Å; F474-L484 HydrophobicContact CZ-CG 4.44Å; G480-L484 WeakPolarHBondContact O-CG 3.36Å; G480-L484 PolarHBondContact O-N 3.04Å; C481-L484 PolarHBondContact O-N 2.74Å; N482-L484 VanDerWaalsContact C-N 3.31Å; N482-L484 PolarHBondContact O-N 2.77Å; L484-T488 WeakPolarHBondContact O-CB 3.31Å; L484-T488 PolarHBondContact O-N 2.99Å; L484-T488 VanDerWaalsContact O-N 3.12Å; L484-T488 PolarHBondContact O-OG1 3.48Å; L484-F528 HydrophobicContact CD1-CB 4.39Å; L484-F528 HydrophobicContact CD2-CB 4.41Å; L484-A529 HydrophobicContact CD1-CB 4.17Å; L484-L534 HydrophobicContact CB-CD1 4.41Å; L484-L534 HydrophobicContact CB-CD2 4.19Å; L484-L534 HydrophobicContact CD1-CD2 3.65Å; L484-I538 HydrophobicContact CB-CD1 4.42Å
485	L	87.3	Confident	87.6	Confident	26 Å²	26	32.3 Å²	32.3	14%	0.136	16%	0.16	C	C	.	.	H	α-helix	trans	-70.8	-44.2	170.4	-64.2	171.5	0	0	0	111.3	C481 N482 A487 T488 E489 L534 K537 I538	C481-L485 WeakPolarHBondContact O-CG 3.4Å; C481-L485 PolarHBondContact O-N 2.62Å; N482-L485 PolarHBondContact O-N 3.11Å; N482-L485 VanDerWaalsContact O-N 3.11Å; L485-A487 VanDerWaalsContact C-N 3.34Å; L485-A487 PolarHBondContact O-N 3.38Å; L485-T488 WeakPolarHBondContact O-CA 3.41Å; L485-T488 WeakPolarHBondContact O-CB 3.38Å; L485-T488 PolarHBondContact O-N 3.39Å; L485-E489 PolarHBondContact O-N 3.25Å; L485-L534 HydrophobicContact CD1-CD1 4.42Å; L485-L534 HydrophobicContact CD2-CD1 3.86Å; L485-L534 HydrophobicContact CG-CD1 3.84Å; L485-K537 HydrophobicContact CD2-CB 4.05Å; L485-I538 HydrophobicContact CD2-CG1 4.29Å
486	D	84.5	Confident	87.8	Confident	39 Å²	39	32.8 Å²	32.8	21%	0.209	16%	0.162	C	C	.	.	H	α-helix	trans	-57.8	-44.9	174.4	-68.7	-30.7	0	0	0	111.4	V19 N482 F483 T488 E489 I490	V19-D486 HydrophobicContact CG1-CB 4.39Å; V19-D486 VanDerWaalsContact CG1-CG 3.47Å; V19-D486 WeakPolarHBondContact CG1-OD1 3.5Å; V19-D486 WeakPolarHBondContact CG1-OD2 3.36Å; N482-D486 VanDerWaalsContact O-CG 3.29Å; N482-D486 PolarHBondContact O-N 3.17Å; F483-D486 PolarHBondContact O-N 2.62Å; D486-T488 VanDerWaalsContact C-N 3.29Å; D486-T488 PolarHBondContact O-N 2.86Å; D486-E489 PolarHBondContact O-N 3.04Å; D486-I490 WeakPolarHBondContact O-CG1 3.2Å; D486-I490 PolarHBondContact O-N 3.35Å; D486-I490 VanDerWaalsContact O-N 3.16Å
487	A	88.9	Confident	88	Confident	5 Å²	5	26.4 Å²	26.4	4%	0.041	13%	0.132	C	C	.	.	H	α-helix	trans	-63.6	-34.2	175.5	0	0	0	0	0	112.6	F455 F483 L485 Y491	F455-A487 HydrophobicContact CE1-CB 4.29Å; F455-A487 WeakPolarHBondContact CE1-O 3.4Å; F483-A487 WeakPolarHBondContact O-CB 3.23Å; F483-A487 PolarHBondContact O-N 2.99Å; L485-A487 VanDerWaalsContact C-N 3.34Å; L485-A487 PolarHBondContact O-N 3.38Å; A487-Y491 PolarHBondContact O-N 2.76Å; A487-Y491 VanDerWaalsContact O-N 3.08Å
488	T	90.3	Very high	88.3	Confident	1 Å²	1	25.6 Å²	25.6	1%	0.006	13%	0.126	C	C	.	.	H	α-helix	trans	-67.5	-37.6	175.5	-59.3	0	0	0	0	111.5	L484 L485 D486 Y491 L492 F522 I538 A541 L542	L484-T488 WeakPolarHBondContact O-CB 3.31Å; L484-T488 PolarHBondContact O-N 2.99Å; L484-T488 VanDerWaalsContact O-N 3.12Å; L484-T488 PolarHBondContact O-OG1 3.48Å; L485-T488 WeakPolarHBondContact O-CA 3.41Å; L485-T488 WeakPolarHBondContact O-CB 3.38Å; L485-T488 PolarHBondContact O-N 3.39Å; D486-T488 VanDerWaalsContact C-N 3.29Å; D486-T488 PolarHBondContact O-N 2.86Å; T488-Y491 PolarHBondContact O-N 3.06Å; T488-L492 HydrophobicContact CG2-CD1 4.01Å; T488-L492 HydrophobicContact CG2-CG 4.47Å; T488-L492 WeakPolarHBondContact O-CB 3.48Å; T488-L492 WeakPolarHBondContact O-CG 3.34Å; T488-L492 PolarHBondContact O-N 3.15Å; T488-F522 HydrophobicContact CG2-CZ 4.18Å; T488-I538 HydrophobicContact CG2-CG2 4.16Å; T488-A541 HydrophobicContact CG2-CB 4.19Å; T488-L542 HydrophobicContact CG2-CD2 4.42Å
489	E	88.7	Confident	88.5	Confident	19 Å²	19	19.6 Å²	19.6	9%	0.089	10%	0.099	C	C	.	.	H	α-helix	trans	-68	-38.9	175.2	-89.7	-75.4	-150.1	0	0	113.7	L485 D486 Y491 L492 M493 R496 Y599 H600 P614	L485-E489 PolarHBondContact O-N 3.25Å; D486-E489 PolarHBondContact O-N 3.04Å; E489-Y491 VanDerWaalsContact C-N 3.3Å; E489-Y491 PolarHBondContact O-N 3Å; E489-L492 PolarHBondContact O-N 3.44Å; E489-M493 PolarHBondContact O-N 3.24Å; E489-R496 IonicContact OE2-CZ 3.51Å; E489-R496 IonicContact OE2-NH1 3.31Å; E489-R496 IonicContact OE2-NH2 3.35Å; E489-R496 PolarHBondContact OE2-NH2 3.27Å; E489-Y599 HydrophobicContact CG-CD2 3.97Å; E489-Y599 HydrophobicContact CG-CE2 3.74Å; E489-Y599 VanDerWaalsContact OE1-CD2 3.28Å; E489-Y599 WeakPolarHBondContact OE1-CD2 3.39Å; E489-H600 VanDerWaalsContact CD-ND1 3.32Å; E489-H600 IonicContact OE1-CE1 3.27Å; E489-H600 PolarHBondContact OE1-CE1 2.62Å; E489-H600 IonicContact OE1-CG 2.62Å; E489-H600 IonicContact OE1-ND1 2.67Å; E489-H600 PolarHBondContact OE1-ND1 3.46Å; E489-H600 IonicContact OE1-NE2 3.67Å; E489-H600 IonicContact OE2-CE1 3.99Å; E489-H600 IonicContact OE2-ND1 3Å; E489-H600 PolarHBondContact OE2-ND1 3.27Å; E489-P614 HydrophobicContact CB-CB 4.24Å; E489-P614 HydrophobicContact CB-CG 4.4Å; E489-P614 HydrophobicContact CG-CB 4.48Å; E489-P614 HydrophobicContact CG-CG 4.11Å; E489-P614 WeakPolarHBondContact OE1-CG 3.31Å; E489-P614 WeakPolarHBondContact OE2-CB 3.43Å; E489-P614 WeakPolarHBondContact OE2-CG 3.18Å
490	I	90.7	Very high	88.9	Confident	32 Å²	32	17 Å²	17	16%	0.164	9%	0.087	C	C	.	.	H	α-helix	trans	-60	-45	171.5	-61.1	172.9	0	0	0	109.4	C451 V454 F455 D486 L492 M493 T494 F618	C451-I490 HydrophobicContact CB-CG2 4.22Å; V454-I490 HydrophobicContact CG1-CD1 4Å; F455-I490 HydrophobicContact CE1-CB 4.14Å; F455-I490 HydrophobicContact CE1-CG2 4.1Å; F455-I490 HydrophobicContact CE2-CG2 4.1Å; F455-I490 HydrophobicContact CZ-CB 3.85Å; F455-I490 HydrophobicContact CZ-CG2 3.55Å; D486-I490 WeakPolarHBondContact O-CG1 3.2Å; D486-I490 PolarHBondContact O-N 3.35Å; D486-I490 VanDerWaalsContact O-N 3.16Å; I490-L492 PolarHBondContact O-N 3.27Å; I490-M493 HydrophobicContact CG2-CE 4.48Å; I490-M493 WeakPolarHBondContact O-CB 3.06Å; I490-M493 PolarHBondContact O-N 2.97Å; I490-T494 WeakPolarHBondContact O-CG2 3.07Å; I490-T494 PolarHBondContact O-N 3.38Å; I490-F618 HydrophobicContact CD1-CD2 4.04Å; I490-F618 HydrophobicContact CD1-CE2 4.14Å; I490-F618 HydrophobicContact CG1-CD2 3.93Å; I490-F618 HydrophobicContact CG1-CE2 4.37Å; I490-F618 HydrophobicContact CG2-CD2 4.01Å; I490-F618 HydrophobicContact CG2-CE2 3.87Å
491	Y	93.9	Very high	89.3	Confident	20 Å²	20	17 Å²	17	8%	0.078	9%	0.087	C	C	.	.	H	α-helix	trans	-63.5	-41.8	178.5	173.2	-119.4	0	0	0	111.7	A487 T488 E489 M493 T494 R495 I518 E519 F522 L542	A487-Y491 PolarHBondContact O-N 2.76Å; A487-Y491 VanDerWaalsContact O-N 3.08Å; T488-Y491 PolarHBondContact O-N 3.06Å; E489-Y491 VanDerWaalsContact C-N 3.3Å; E489-Y491 PolarHBondContact O-N 3Å; Y491-M493 VanDerWaalsContact C-N 3.34Å; Y491-M493 PolarHBondContact O-N 3.18Å; Y491-T494 CarbonylContact O-C 3.59Å; Y491-T494 WeakPolarHBondContact O-CA 3.37Å; Y491-T494 PolarHBondContact O-N 3.23Å; Y491-T494 PolarHBondContact O-OG1 3.37Å; Y491-R495 HydrophobicContact CD2-CG 4.44Å; Y491-R495 HydrophobicContact CE1-CG 4.24Å; Y491-R495 HydrophobicContact CE2-CG 4Å; Y491-R495 PolarHBondContact O-N 3.28Å; Y491-R495 PolarHBondContact OH-NE 3.47Å; Y491-I518 HydrophobicContact CD2-CG2 3.97Å; Y491-I518 HydrophobicContact CE2-CG2 4.38Å; Y491-E519 HydrophobicContact CE2-CG 4.42Å; Y491-F522 VanDerWaalsContact CB-CD2 3.49Å; Y491-F522 AromaticContact CD1-CD1 3.26Å; Y491-F522 HydrophobicContact CD1-CD1 3.26Å; Y491-F522 HydrophobicContact CD1-CD2 4.11Å; Y491-F522 AromaticContact CD1-CE1 3.31Å; Y491-F522 HydrophobicContact CD1-CE1 3.31Å; Y491-F522 HydrophobicContact CD1-CE2 4.15Å; Y491-F522 AromaticContact CD1-CG 3.68Å; Y491-F522 HydrophobicContact CD1-CG 3.68Å; Y491-F522 AromaticContact CD1-CZ 3.77Å; Y491-F522 HydrophobicContact CD1-CZ 3.77Å; Y491-F522 HydrophobicContact CD2-CB 3.78Å; Y491-F522 AromaticContact CD2-CD1 3.98Å; Y491-F522 HydrophobicContact CD2-CD1 3.98Å; Y491-F522 HydrophobicContact CD2-CD2 4.46Å; Y491-F522 AromaticContact CD2-CG 3.79Å; Y491-F522 HydrophobicContact CD2-CG 3.79Å; Y491-F522 AromaticContact CE1-CD1 3.41Å; Y491-F522 HydrophobicContact CE1-CD1 3.41Å; Y491-F522 VanDerWaalsContact CE1-CD1 3.41Å; Y491-F522 AromaticContact CE1-CE1 3.57Å; Y491-F522 HydrophobicContact CE1-CE1 3.57Å; Y491-F522 HydrophobicContact CE1-CG 4.18Å; Y491-F522 HydrophobicContact CE1-CZ 4.44Å; Y491-F522 HydrophobicContact CE2-CB 4.21Å; Y491-F522 HydrophobicContact CE2-CD1 4.14Å; Y491-F522 HydrophobicContact CE2-CG 4.31Å; Y491-F522 HydrophobicContact CG-CB 3.96Å; Y491-F522 AromaticContact CG-CD1 3.54Å; Y491-F522 HydrophobicContact CG-CD1 3.54Å; Y491-F522 AromaticContact CG-CD2 3.79Å; Y491-F522 HydrophobicContact CG-CD2 3.79Å; Y491-F522 AromaticContact CG-CE1 3.98Å; Y491-F522 HydrophobicContact CG-CE1 3.98Å; Y491-F522 HydrophobicContact CG-CE2 4.2Å; Y491-F522 AromaticContact CG-CG 3.43Å; Y491-F522 HydrophobicContact CG-CG 3.43Å; Y491-F522 VanDerWaalsContact CG-CG 3.43Å; Y491-F522 HydrophobicContact CG-CZ 4.28Å; Y491-F522 AromaticContact CZ-CD1 3.87Å; Y491-L542 HydrophobicContact CD1-CD2 3.7Å; Y491-L542 HydrophobicContact CE1-CD2 3.56Å
492	L	91.3	Very high	89.5	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-70.3	-28.2	178	-69.8	175.7	0	0	0	113	T488 E489 I490 R495 R496 A541 L542 V545 H600	T488-L492 HydrophobicContact CG2-CD1 4.01Å; T488-L492 HydrophobicContact CG2-CG 4.47Å; T488-L492 WeakPolarHBondContact O-CB 3.48Å; T488-L492 WeakPolarHBondContact O-CG 3.34Å; T488-L492 PolarHBondContact O-N 3.15Å; E489-L492 PolarHBondContact O-N 3.44Å; I490-L492 PolarHBondContact O-N 3.27Å; L492-R495 PolarHBondContact O-N 2.97Å; L492-R496 WeakPolarHBondContact O-CB 3.41Å; L492-R496 VanDerWaalsContact O-CG 3.32Å; L492-R496 WeakPolarHBondContact O-CG 3.13Å; L492-R496 PolarHBondContact O-N 3.34Å; L492-R496 PolarHBondContact O-NE 3.3Å; L492-A541 HydrophobicContact CD1-CB 3.83Å; L492-L542 HydrophobicContact CD1-CD2 4.44Å; L492-L542 HydrophobicContact CD2-CD2 3.79Å; L492-L542 HydrophobicContact CG-CD2 4.24Å; L492-V545 HydrophobicContact CB-CG2 4.4Å; L492-V545 HydrophobicContact CD1-CG2 4.41Å; L492-V545 HydrophobicContact CD2-CB 3.78Å; L492-V545 HydrophobicContact CD2-CG1 4.15Å; L492-V545 HydrophobicContact CD2-CG2 3.82Å; L492-V545 HydrophobicContact CG-CG2 4.43Å; L492-H600 WeakPolarHBondContact CD1-CE1 3.33Å
493	M	91	Very high	89.6	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-61.5	-45.9	162.9	174.3	-169.2	78.5	0	0	111.5	C451 E489 I490 Y491 R495 R496 I497 C615 F618	C451-M493 WeakPolarHBondContact SG-CE 3.44Å; E489-M493 PolarHBondContact O-N 3.24Å; I490-M493 HydrophobicContact CG2-CE 4.48Å; I490-M493 WeakPolarHBondContact O-CB 3.06Å; I490-M493 PolarHBondContact O-N 2.97Å; Y491-M493 VanDerWaalsContact C-N 3.34Å; Y491-M493 PolarHBondContact O-N 3.18Å; M493-R495 VanDerWaalsContact C-N 3.3Å; M493-R495 PolarHBondContact O-N 3.11Å; M493-R496 VanDerWaalsContact N-NH2 3.2Å; M493-R496 WeakPolarHBondContact O-CB 3.46Å; M493-R496 PolarHBondContact O-N 3.32Å; M493-I497 HydrophobicContact CG-CD1 4.01Å; M493-I497 WeakPolarHBondContact O-CG1 3.37Å; M493-I497 PolarHBondContact O-N 3.34Å; M493-C615 HydrophobicContact CG-CB 4.33Å; M493-C615 HydrophobicContact SD-CB 4.37Å; M493-F618 HydrophobicContact CE-CB 3.95Å; M493-F618 HydrophobicContact CE-CD1 3.52Å; M493-F618 HydrophobicContact CE-CD2 4.21Å; M493-F618 HydrophobicContact CE-CE1 4.05Å; M493-F618 HydrophobicContact CE-CG 3.61Å; M493-F618 HydrophobicContact SD-CB 3.66Å; M493-F618 HydrophobicContact SD-CD1 4.12Å; M493-F618 HydrophobicContact SD-CG 4.02Å
494	T	93.9	Very high	89.4	Confident	3 Å²	3	22 Å²	22	2%	0.018	11%	0.106	C	C	.	.	H	α-helix	trans	-64	-34.4	178.1	68.8	0	0	0	0	112.4	L448 C451 I490 Y491 I497 S498 F515 I518	L448-T494 HydrophobicContact CD2-CG2 3.88Å; C451-T494 HydrophobicContact CB-CG2 3.67Å; I490-T494 WeakPolarHBondContact O-CG2 3.07Å; I490-T494 PolarHBondContact O-N 3.38Å; Y491-T494 CarbonylContact O-C 3.59Å; Y491-T494 WeakPolarHBondContact O-CA 3.37Å; Y491-T494 PolarHBondContact O-N 3.23Å; Y491-T494 PolarHBondContact O-OG1 3.37Å; T494-I497 PolarHBondContact O-N 2.92Å; T494-S498 WeakPolarHBondContact O-CB 3.42Å; T494-S498 PolarHBondContact O-N 3.24Å; T494-F515 WeakPolarHBondContact O-CE1 3.47Å; T494-I518 HydrophobicContact CG2-CD1 3.97Å; T494-I518 HydrophobicContact CG2-CG2 4.19Å; T494-I518 WeakPolarHBondContact OG1-CG2 3.34Å
495	R	92.4	Very high	89.2	Confident	55 Å²	55	28.8 Å²	28.8	21%	0.208	14%	0.143	C	C	.	.	H	α-helix	trans	-65.8	-45.7	171.8	-69.6	-173.1	121	-104	-12.5	112.1	Y491 L492 M493 I497 S498 I499 V545 E549	Y491-R495 HydrophobicContact CD2-CG 4.44Å; Y491-R495 HydrophobicContact CE1-CG 4.24Å; Y491-R495 HydrophobicContact CE2-CG 4Å; Y491-R495 PolarHBondContact O-N 3.28Å; Y491-R495 PolarHBondContact OH-NE 3.47Å; L492-R495 PolarHBondContact O-N 2.97Å; M493-R495 VanDerWaalsContact C-N 3.3Å; M493-R495 PolarHBondContact O-N 3.11Å; R495-I497 VanDerWaalsContact C-N 3.34Å; R495-I497 PolarHBondContact O-N 2.62Å; R495-S498 WeakPolarHBondContact O-CA 3.49Å; R495-S498 WeakPolarHBondContact O-CB 3.49Å; R495-S498 PolarHBondContact O-N 2.9Å; R495-I499 WeakPolarHBondContact O-CG1 3.35Å; R495-I499 PolarHBondContact O-N 2.64Å; R495-V545 HydrophobicContact CB-CG1 4Å; R495-E549 IonicContact CZ-OE1 3.21Å; R495-E549 VanDerWaalsContact CZ-OE1 3.27Å; R495-E549 IonicContact NH1-OE1 3.78Å; R495-E549 PolarHBondContact NH1-OE1 3.16Å; R495-E549 IonicContact NH2-OE1 2.62Å; R495-E549 PolarHBondContact NH2-OE1 2.86Å
496	R	90.6	Very high	89.1	Confident	13 Å²	13	28.9 Å²	28.9	5%	0.049	14%	0.144	C	C	.	.	H	α-helix	trans	-54.1	-47.9	172.9	-77.4	173.7	-77	-137.9	0.6	111.4	E489 L492 M493 S498 I499 S500 C569 S571	E489-R496 IonicContact OE2-CZ 3.51Å; E489-R496 IonicContact OE2-NH1 3.31Å; E489-R496 IonicContact OE2-NH2 3.35Å; E489-R496 PolarHBondContact OE2-NH2 3.27Å; L492-R496 WeakPolarHBondContact O-CB 3.41Å; L492-R496 VanDerWaalsContact O-CG 3.32Å; L492-R496 WeakPolarHBondContact O-CG 3.13Å; L492-R496 PolarHBondContact O-N 3.34Å; L492-R496 PolarHBondContact O-NE 3.3Å; M493-R496 VanDerWaalsContact N-NH2 3.2Å; M493-R496 WeakPolarHBondContact O-CB 3.46Å; M493-R496 PolarHBondContact O-N 3.32Å; R496-S498 PolarHBondContact O-N 3.33Å; R496-I499 PolarHBondContact O-N 2.82Å; R496-S500 PolarHBondContact O-N 3.4Å; R496-S500 VanDerWaalsContact O-N 3.08Å; R496-S500 PolarHBondContact O-OG 3.1Å; R496-C569 HydrophobicContact CB-CB 3.96Å; R496-S571 PolarHBondContact O-OG 2.92Å
497	I	92.5	Very high	89.2	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.4	-39.5	173.9	-63.8	166.9	0	0	0	111.7	W444 L448 M493 T494 R495 S500 A501 F515 C569	W444-I497 HydrophobicContact CB-CG2 4.27Å; W444-I497 HydrophobicContact CD2-CG2 3.86Å; W444-I497 HydrophobicContact CE3-CG2 4.38Å; W444-I497 HydrophobicContact CG-CG2 3.84Å; L448-I497 HydrophobicContact CD1-CG2 4.17Å; L448-I497 HydrophobicContact CD2-CB 4.39Å; L448-I497 HydrophobicContact CD2-CD1 4.27Å; L448-I497 HydrophobicContact CD2-CG2 4.19Å; L448-I497 HydrophobicContact CG-CG2 4.37Å; M493-I497 HydrophobicContact CG-CD1 4.01Å; M493-I497 WeakPolarHBondContact O-CG1 3.37Å; M493-I497 PolarHBondContact O-N 3.34Å; T494-I497 PolarHBondContact O-N 2.92Å; R495-I497 VanDerWaalsContact C-N 3.34Å; R495-I497 PolarHBondContact O-N 2.62Å; I497-S500 PolarHBondContact O-N 2.91Å; I497-A501 VanDerWaalsContact O-CB 3.23Å; I497-A501 WeakPolarHBondContact O-CB 3.28Å; I497-A501 PolarHBondContact O-N 3.06Å; I497-F515 HydrophobicContact CG2-CE1 4.48Å; I497-F515 HydrophobicContact CG2-CZ 4.23Å; I497-C569 HydrophobicContact CG1-CB 3.7Å
498	S	91.8	Very high	89.1	Confident	22 Å²	22	32 Å²	32	15%	0.154	16%	0.159	C	C	.	.	H	α-helix	trans	-64.7	-41.8	178.6	-159.7	0	0	0	0	112.9	T494 R495 R496 A501 K502 F515	T494-S498 WeakPolarHBondContact O-CB 3.42Å; T494-S498 PolarHBondContact O-N 3.24Å; R495-S498 WeakPolarHBondContact O-CA 3.49Å; R495-S498 WeakPolarHBondContact O-CB 3.49Å; R495-S498 PolarHBondContact O-N 2.9Å; R496-S498 PolarHBondContact O-N 3.33Å; S498-A501 PolarHBondContact O-N 3.45Å; S498-K502 WeakPolarHBondContact O-CG 3.29Å; S498-K502 PolarHBondContact O-N 2.81Å; S498-K502 VanDerWaalsContact O-N 3.07Å; S498-F515 VanDerWaalsContact CB-CE1 3.44Å
499	I	88.1	Confident	89.1	Confident	19 Å²	19	36.9 Å²	36.9	10%	0.097	19%	0.192	C	C	.	.	H	α-helix	trans	-63.7	-50.3	175.6	-64.9	163.4	0	0	0	109.7	R495 R496 A501 K502 N503 V545 E549	R495-I499 WeakPolarHBondContact O-CG1 3.35Å; R495-I499 PolarHBondContact O-N 2.64Å; R496-I499 PolarHBondContact O-N 2.82Å; I499-A501 VanDerWaalsContact C-N 3.33Å; I499-A501 PolarHBondContact O-N 3.36Å; I499-K502 WeakPolarHBondContact O-CB 3.31Å; I499-K502 PolarHBondContact O-N 3.23Å; I499-K502 VanDerWaalsContact O-N 3.17Å; I499-N503 VanDerWaalsContact O-CG 3.23Å; I499-N503 PolarHBondContact O-N 3.35Å; I499-N503 PolarHBondContact O-OD1 3.46Å; I499-V545 HydrophobicContact CD1-CG1 4.19Å; I499-E549 HydrophobicContact CD1-CG 3.83Å; I499-E549 HydrophobicContact CG1-CG 4.18Å
500	S	88.3	Confident	89.2	Confident	3 Å²	3	38.6 Å²	38.6	2%	0.021	21%	0.206	C	C	.	.	H	α-helix	trans	-64.3	-34.5	178.2	-66	0	0	0	0	113	R496 I497 N503 Y504 C569 L570 S571	R496-S500 PolarHBondContact O-N 3.4Å; R496-S500 VanDerWaalsContact O-N 3.08Å; R496-S500 PolarHBondContact O-OG 3.1Å; I497-S500 PolarHBondContact O-N 2.91Å; S500-N503 PolarHBondContact O-N 2.85Å; S500-Y504 WeakPolarHBondContact O-CD2 3.25Å; S500-Y504 PolarHBondContact O-N 2.71Å; S500-C569 WeakPolarHBondContact CB-O 3.45Å; S500-C569 PolarHBondContact OG-O 3.3Å; S500-L570 PolarHBondContact OG-O 3.11Å; S500-S571 PolarHBondContact OG-N 3Å; S500-S571 PolarHBondContact OG-OG 3.4Å; S500-S571 VanDerWaalsContact OG-OG 3.07Å
501	A	89.5	Confident	89.4	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-66.7	-34.4	174.1	0	0	0	0	0	113.3	W444 I497 S498 I499 N505 V506 L507 M511	W444-A501 HydrophobicContact CE3-CB 4.2Å; W444-A501 HydrophobicContact CZ3-CB 3.87Å; I497-A501 VanDerWaalsContact O-CB 3.23Å; I497-A501 WeakPolarHBondContact O-CB 3.28Å; I497-A501 PolarHBondContact O-N 3.06Å; S498-A501 PolarHBondContact O-N 3.45Å; I499-A501 VanDerWaalsContact C-N 3.33Å; I499-A501 PolarHBondContact O-N 3.36Å; A501-N505 PolarHBondContact O-N 3.48Å; A501-V506 PolarHBondContact O-N 3.15Å; A501-L507 HydrophobicContact CB-CD2 3.98Å; A501-L507 HydrophobicContact CB-CG 4.14Å; A501-M511 HydrophobicContact CB-CE 4.06Å
502	K	88	Confident	89.3	Confident	97 Å²	97	40.7 Å²	40.7	42%	0.422	22%	0.215	S	C	.	.	H	α-helix	trans	-63.3	-54.8	168.2	-66.7	164.8	-173.8	177.4	0	110.1	S498 I499 Y504 N505 L507 E549	S498-K502 WeakPolarHBondContact O-CG 3.29Å; S498-K502 PolarHBondContact O-N 2.81Å; S498-K502 VanDerWaalsContact O-N 3.07Å; I499-K502 WeakPolarHBondContact O-CB 3.31Å; I499-K502 PolarHBondContact O-N 3.23Å; I499-K502 VanDerWaalsContact O-N 3.17Å; K502-Y504 VanDerWaalsContact C-N 3.29Å; K502-Y504 PolarHBondContact O-N 3.34Å; K502-N505 PolarHBondContact O-N 3.09Å; K502-L507 HydrophobicContact CB-CD1 4.18Å; K502-L507 HydrophobicContact CG-CD1 3.56Å; K502-E549 IonicContact NZ-OE2 3.93Å
503	N	84	Confident	89.5	Confident	76 Å²	76	45.7 Å²	45.7	41%	0.406	24%	0.238	S	C	.	.	H	α-helix	trans	-61.1	-35.3	-172.1	-66.2	-3.6	0	0	0	113.1	I499 S500 V553	I499-N503 VanDerWaalsContact O-CG 3.23Å; I499-N503 PolarHBondContact O-N 3.35Å; I499-N503 PolarHBondContact O-OD1 3.46Å; S500-N503 PolarHBondContact O-N 2.85Å; N503-V553 HydrophobicContact CB-CG2 4.28Å; N503-V553 WeakPolarHBondContact ND2-CG2 3.11Å
504	Y	83.3	Confident	89.8	Confident	29 Å²	29	46.6 Å²	46.6	11%	0.114	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	10.7	178.7	-51.4	-48.8	0	0	0	114.1	W444 S500 K502 V506 L570 I632	W444-Y504 HydrophobicContact CH2-CD2 4.22Å; S500-Y504 WeakPolarHBondContact O-CD2 3.25Å; S500-Y504 PolarHBondContact O-N 2.71Å; K502-Y504 VanDerWaalsContact C-N 3.29Å; K502-Y504 PolarHBondContact O-N 3.34Å; Y504-V506 WeakPolarHBondContact O-CG2 3.42Å; Y504-V506 PolarHBondContact O-N 2.94Å; Y504-V506 VanDerWaalsContact O-N 3.16Å; Y504-L570 HydrophobicContact CE2-CB 3.74Å; Y504-L570 HydrophobicContact CE2-CD1 4.46Å; Y504-L570 WeakPolarHBondContact CE2-O 3.3Å; Y504-L570 PolarHBondContact OH-O 2.95Å; Y504-L570 VanDerWaalsContact OH-O 3.1Å; Y504-I632 HydrophobicContact CD1-CG2 3.71Å; Y504-I632 HydrophobicContact CE1-CB 4.5Å; Y504-I632 HydrophobicContact CE1-CG1 4.4Å; Y504-I632 HydrophobicContact CE1-CG2 3.42Å; Y504-I632 VanDerWaalsContact CE1-CG2 3.42Å; Y504-I632 HydrophobicContact CE2-CG1 4.27Å; Y504-I632 HydrophobicContact CE2-CG2 4.37Å; Y504-I632 HydrophobicContact CG-CG2 4.31Å
505	N	84	Confident	89.8	Confident	146 Å²	146	47.5 Å²	47.5	78%	0.781	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	54	30.7	178.9	-60.7	-77.5	0	0	0	115.1	A501 K502 L507	A501-N505 PolarHBondContact O-N 3.48Å; K502-N505 PolarHBondContact O-N 3.09Å; N505-L507 VanDerWaalsContact C-N 3.28Å
506	V	86.3	Confident	90	Very high	27 Å²	27	48.1 Å²	48.1	16%	0.164	26%	0.258	C	S	.	.			trans	-85.9	-3.2	179.7	-170.3	0	0	0	0	111.7	L440 W444 A501 Y504 P633	L440-V506 HydrophobicContact CD2-CG2 4.16Å; W444-V506 HydrophobicContact CE3-CB 4.5Å; W444-V506 HydrophobicContact CE3-CG1 4.25Å; W444-V506 HydrophobicContact CZ3-CB 4.16Å; W444-V506 HydrophobicContact CZ3-CG1 4.35Å; W444-V506 HydrophobicContact CZ3-CG2 4.22Å; A501-V506 PolarHBondContact O-N 3.15Å; Y504-V506 WeakPolarHBondContact O-CG2 3.42Å; Y504-V506 PolarHBondContact O-N 2.94Å; Y504-V506 VanDerWaalsContact O-N 3.16Å; V506-P633 HydrophobicContact CG2-CG 3.86Å
507	L	85.8	Confident	90.3	Very high	53 Å²	53	50.1 Å²	50.1	28%	0.277	27%	0.269	S	S	.	.			trans	-61.9	136.4	-178	-78.7	172.3	0	0	0	113.4	A501 K502 N505 F515	A501-L507 HydrophobicContact CB-CD2 3.98Å; A501-L507 HydrophobicContact CB-CG 4.14Å; K502-L507 HydrophobicContact CB-CD1 4.18Å; K502-L507 HydrophobicContact CG-CD1 3.56Å; N505-L507 VanDerWaalsContact C-N 3.28Å; L507-F515 HydrophobicContact CD2-CD2 4.26Å; L507-F515 HydrophobicContact CD2-CE2 3.76Å
508	N	86.3	Confident	90.6	Very high	56 Å²	56	50.1 Å²	50.1	30%	0.299	27%	0.27	S	S	.	.			trans	-135	149.6	178.7	-179.5	-72.5	0	0	0	108	Y441 S510 M511 H512	Y441-N508 HydrophobicContact CD2-CB 4.07Å; Y441-N508 HydrophobicContact CE2-CB 3.5Å; Y441-N508 VanDerWaalsContact CE2-CB 3.5Å; N508-S510 PolarHBondContact O-N 3.45Å; N508-S510 WeakPolarHBondContact OD1-CB 3.28Å; N508-S510 PolarHBondContact OD1-N 3.35Å; N508-S510 PolarHBondContact OD1-OG 2.91Å; N508-M511 PolarHBondContact O-N 3.48Å; N508-H512 PolarHBondContact O-CD2 2.96Å; N508-H512 PolarHBondContact O-N 2.84Å
509	P	90.3	Very high	90.8	Very high	105 Å²	105	53.1 Å²	53.1	68%	0.682	28%	0.281	S	S	*	.	H	α-helix	trans	-47	-36.2	174.5	-31.7	37	0	0	0	114.5	H512 Q513	P509-H512 PolarHBondContact O-N 2.67Å; P509-Q513 PolarHBondContact O-N 3.31Å
510	S	92.1	Very high	91.2	Very high	55 Å²	55	54.8 Å²	54.8	39%	0.385	29%	0.29	S	S	.	.	H	α-helix	trans	-64.2	-42	177.1	-44	0	0	0	0	112.5	N508 V514	N508-S510 PolarHBondContact O-N 3.45Å; N508-S510 WeakPolarHBondContact OD1-CB 3.28Å; N508-S510 PolarHBondContact OD1-N 3.35Å; N508-S510 PolarHBondContact OD1-OG 2.91Å; S510-V514 WeakPolarHBondContact O-CG2 3.26Å; S510-V514 PolarHBondContact O-N 3.24Å
511	M	93	Very high	91.6	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-69.7	-40	174.7	-72.8	180	81	0	0	111.4	Y441 W444 L445 L448 A501 N508 Q513 V514 F515	Y441-M511 HydrophobicContact CD2-CG 4.11Å; Y441-M511 HydrophobicContact CD2-SD 3.67Å; Y441-M511 HydrophobicContact CE2-CG 3.91Å; Y441-M511 HydrophobicContact CE2-SD 4.09Å; W444-M511 HydrophobicContact CB-CE 3.89Å; W444-M511 HydrophobicContact CE3-CE 4.18Å; L445-M511 HydrophobicContact CD1-CG 4.08Å; L448-M511 HydrophobicContact CD1-CE 3.67Å; A501-M511 HydrophobicContact CB-CE 4.06Å; N508-M511 PolarHBondContact O-N 3.48Å; M511-Q513 VanDerWaalsContact C-N 3.32Å; M511-Q513 PolarHBondContact O-N 2.85Å; M511-V514 PolarHBondContact O-N 3.33Å; M511-F515 HydrophobicContact CB-CD2 4.28Å; M511-F515 HydrophobicContact CB-CE2 4Å; M511-F515 HydrophobicContact CE-CE2 4.02Å; M511-F515 HydrophobicContact CE-CZ 3.98Å; M511-F515 WeakPolarHBondContact O-CD2 3.45Å; M511-F515 WeakPolarHBondContact O-CG 3.5Å; M511-F515 PolarHBondContact O-N 3.33Å
512	H	92.4	Very high	91.9	Very high	95 Å²	95	55.4 Å²	55.4	44%	0.44	29%	0.293	S	S	.	.	H	α-helix	trans	-56.9	-46.1	175.4	-83.1	-74.3	0	0	0	111.9	N508 P509 F515 T516	N508-H512 PolarHBondContact O-CD2 2.96Å; N508-H512 PolarHBondContact O-N 2.84Å; P509-H512 PolarHBondContact O-N 2.67Å; H512-F515 PolarHBondContact O-N 3.02Å; H512-T516 PolarHBondContact O-N 3.33Å; H512-T516 PolarHBondContact O-OG1 2.82Å
513	Q	95.5	Very high	92.2	Very high	105 Å²	105	56.6 Å²	56.6	49%	0.491	30%	0.295	S	S	.	.	H	α-helix	trans	-59	-50.6	175.7	-176	57.7	49.6	0	0	111.4	P509 M511 F515 T516 D517	P509-Q513 PolarHBondContact O-N 3.31Å; M511-Q513 VanDerWaalsContact C-N 3.32Å; M511-Q513 PolarHBondContact O-N 2.85Å; Q513-F515 VanDerWaalsContact C-N 3.35Å; Q513-F515 PolarHBondContact O-N 3.04Å; Q513-T516 WeakPolarHBondContact O-CB 3.32Å; Q513-T516 PolarHBondContact O-N 2.94Å; Q513-T516 VanDerWaalsContact O-N 3.12Å; Q513-D517 PolarHBondContact NE2-OD1 3.39Å; Q513-D517 VanDerWaalsContact NE2-OD1 3.1Å; Q513-D517 PolarHBondContact NE2-OD2 3.44Å; Q513-D517 PolarHBondContact O-N 3.19Å
514	V	96.7	Very high	92.7	Very high	19 Å²	19	58.3 Å²	58.3	12%	0.115	30%	0.299	C	S	.	.	H	α-helix	trans	-62.4	-38.7	179.8	176.2	0	0	0	0	112	L445 L448 L452 S510 M511 D517 I518	L445-V514 HydrophobicContact CD1-CG2 4.14Å; L448-V514 HydrophobicContact CB-CG1 3.7Å; L452-V514 HydrophobicContact CD2-CG1 4.33Å; S510-V514 WeakPolarHBondContact O-CG2 3.26Å; S510-V514 PolarHBondContact O-N 3.24Å; M511-V514 PolarHBondContact O-N 3.33Å; V514-D517 PolarHBondContact O-N 3.31Å; V514-I518 HydrophobicContact CG1-CD1 3.78Å; V514-I518 HydrophobicContact CG1-CG1 4.39Å; V514-I518 WeakPolarHBondContact O-CB 3.25Å; V514-I518 WeakPolarHBondContact O-CD1 3.34Å; V514-I518 WeakPolarHBondContact O-CG1 3.39Å; V514-I518 PolarHBondContact O-N 2.94Å
515	F	95.7	Very high	93.1	Very high	22 Å²	22	57 Å²	57	10%	0.096	29%	0.294	C	S	.	.	H	α-helix	trans	-62.4	-43	172.7	-72.7	-54.5	0	0	0	112.2	L448 T494 I497 S498 L507 M511 H512 Q513 I518 E519	L448-F515 HydrophobicContact CD1-CD1 4.21Å; L448-F515 HydrophobicContact CD1-CE1 3.48Å; L448-F515 VanDerWaalsContact CD1-CE1 3.48Å; L448-F515 HydrophobicContact CD1-CE2 4.16Å; L448-F515 HydrophobicContact CD1-CZ 3.44Å; L448-F515 VanDerWaalsContact CD1-CZ 3.44Å; L448-F515 HydrophobicContact CD2-CD1 4.14Å; L448-F515 HydrophobicContact CD2-CE1 3.54Å; L448-F515 HydrophobicContact CD2-CZ 4.3Å; L448-F515 HydrophobicContact CG-CE1 4.16Å; T494-F515 WeakPolarHBondContact O-CE1 3.47Å; I497-F515 HydrophobicContact CG2-CE1 4.48Å; I497-F515 HydrophobicContact CG2-CZ 4.23Å; S498-F515 VanDerWaalsContact CB-CE1 3.44Å; L507-F515 HydrophobicContact CD2-CD2 4.26Å; L507-F515 HydrophobicContact CD2-CE2 3.76Å; M511-F515 HydrophobicContact CB-CD2 4.28Å; M511-F515 HydrophobicContact CB-CE2 4Å; M511-F515 HydrophobicContact CE-CE2 4.02Å; M511-F515 HydrophobicContact CE-CZ 3.98Å; M511-F515 WeakPolarHBondContact O-CD2 3.45Å; M511-F515 WeakPolarHBondContact O-CG 3.5Å; M511-F515 PolarHBondContact O-N 3.33Å; H512-F515 PolarHBondContact O-N 3.02Å; Q513-F515 VanDerWaalsContact C-N 3.35Å; Q513-F515 PolarHBondContact O-N 3.04Å; F515-I518 PolarHBondContact O-N 3.19Å; F515-E519 PolarHBondContact O-N 2.87Å
516	T	96	Very high	93.5	Very high	68 Å²	68	51.9 Å²	51.9	42%	0.417	27%	0.27	S	S	.	.	H	α-helix	trans	-64.2	-40.7	176.9	-60.8	0	0	0	0	111.8	H512 Q513 E519 N520	H512-T516 PolarHBondContact O-N 3.33Å; H512-T516 PolarHBondContact O-OG1 2.82Å; Q513-T516 WeakPolarHBondContact O-CB 3.32Å; Q513-T516 PolarHBondContact O-N 2.94Å; Q513-T516 VanDerWaalsContact O-N 3.12Å; T516-E519 PolarHBondContact O-N 3.34Å; T516-N520 WeakPolarHBondContact O-CB 3.46Å; T516-N520 VanDerWaalsContact O-CG 3.28Å; T516-N520 PolarHBondContact O-N 2.93Å; T516-N520 PolarHBondContact O-ND2 3.14Å
517	D	97.5	Very high	93.9	Very high	55 Å²	55	54.2 Å²	54.2	29%	0.294	29%	0.287	S	S	.	.	H	α-helix	trans	-69.6	-35.8	177	-68.7	-34.5	0	0	0	112.5	L452 Q513 V514 S521	L452-D517 HydrophobicContact CD1-CB 3.83Å; L452-D517 HydrophobicContact CD2-CB 3.69Å; L452-D517 HydrophobicContact CG-CB 4.44Å; Q513-D517 PolarHBondContact NE2-OD1 3.39Å; Q513-D517 VanDerWaalsContact NE2-OD1 3.1Å; Q513-D517 PolarHBondContact NE2-OD2 3.44Å; Q513-D517 PolarHBondContact O-N 3.19Å; V514-D517 PolarHBondContact O-N 3.31Å; D517-S521 VanDerWaalsContact O-CB 3.32Å; D517-S521 WeakPolarHBondContact O-CB 3.46Å; D517-S521 PolarHBondContact O-N 2.95Å; D517-S521 PolarHBondContact O-OG 2.81Å
518	I	97.4	Very high	94.1	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-61.9	-50.2	171	-75.9	163.5	0	0	0	110.5	L448 C451 L452 F455 Y491 T494 V514 F515 N520 S521 F522	L448-I518 HydrophobicContact CB-CD1 4.12Å; L448-I518 HydrophobicContact CD2-CD1 4.06Å; C451-I518 HydrophobicContact CB-CD1 4.26Å; L452-I518 HydrophobicContact CB-CD1 4.49Å; L452-I518 HydrophobicContact CB-CG1 3.85Å; L452-I518 HydrophobicContact CD1-CG1 4.26Å; F455-I518 HydrophobicContact CD2-CG2 4.24Å; F455-I518 HydrophobicContact CE2-CG2 3.82Å; Y491-I518 HydrophobicContact CD2-CG2 3.97Å; Y491-I518 HydrophobicContact CE2-CG2 4.38Å; T494-I518 HydrophobicContact CG2-CD1 3.97Å; T494-I518 HydrophobicContact CG2-CG2 4.19Å; T494-I518 WeakPolarHBondContact OG1-CG2 3.34Å; V514-I518 HydrophobicContact CG1-CD1 3.78Å; V514-I518 HydrophobicContact CG1-CG1 4.39Å; V514-I518 WeakPolarHBondContact O-CB 3.25Å; V514-I518 WeakPolarHBondContact O-CD1 3.34Å; V514-I518 WeakPolarHBondContact O-CG1 3.39Å; V514-I518 PolarHBondContact O-N 2.94Å; F515-I518 PolarHBondContact O-N 3.19Å; I518-N520 VanDerWaalsContact C-N 3.33Å; I518-N520 PolarHBondContact O-N 2.9Å; I518-S521 PolarHBondContact O-N 3.36Å; I518-F522 WeakPolarHBondContact O-CB 3.43Å; I518-F522 PolarHBondContact O-N 2.99Å
519	E	95.7	Very high	94.3	Very high	84 Å²	84	50.5 Å²	50.5	39%	0.393	27%	0.268	S	S	.	.	H	α-helix	trans	-61.3	-44.2	179.8	-162.6	-161.8	140.1	0	0	110.9	Y491 F515 T516 S521 F522 R523	Y491-E519 HydrophobicContact CE2-CG 4.42Å; F515-E519 PolarHBondContact O-N 2.87Å; T516-E519 PolarHBondContact O-N 3.34Å; E519-S521 VanDerWaalsContact C-N 3.3Å; E519-S521 PolarHBondContact O-N 3.02Å; E519-F522 PolarHBondContact O-N 3.46Å; E519-R523 VanDerWaalsContact CD-NH2 3.33Å; E519-R523 VanDerWaalsContact O-CB 3.3Å; E519-R523 WeakPolarHBondContact O-CB 3.44Å; E519-R523 PolarHBondContact O-N 2.97Å; E519-R523 IonicContact OE1-CZ 3.68Å; E519-R523 IonicContact OE1-NE 3.15Å; E519-R523 IonicContact OE1-NH2 2.67Å; E519-R523 PolarHBondContact OE1-NH2 3.13Å
520	N	96.9	Very high	94.3	Very high	55 Å²	55	47.7 Å²	47.7	29%	0.294	25%	0.249	S	C	.	.	H	α-helix	trans	-64.6	-31.6	177.6	-75.8	-40.2	0	0	0	113.3	T516 I518 R523 K524	T516-N520 WeakPolarHBondContact O-CB 3.46Å; T516-N520 VanDerWaalsContact O-CG 3.28Å; T516-N520 PolarHBondContact O-N 2.93Å; T516-N520 PolarHBondContact O-ND2 3.14Å; I518-N520 VanDerWaalsContact C-N 3.33Å; I518-N520 PolarHBondContact O-N 2.9Å; N520-R523 PolarHBondContact OD1-NH1 3.02Å; N520-K524 WeakPolarHBondContact O-CD 3.25Å; N520-K524 WeakPolarHBondContact O-CE 3.37Å; N520-K524 VanDerWaalsContact O-CG 3.28Å; N520-K524 WeakPolarHBondContact O-CG 3.18Å
521	S	96.4	Very high	94.3	Very high	7 Å²	7	46.5 Å²	46.5	5%	0.049	24%	0.239	C	C	.	.	H	α-helix	trans	-82.9	-39.1	177.7	-59	0	0	0	0	112	N456 D517 I518 E519 K524 L525	N456-S521 PolarHBondContact OD1-OG 3.24Å; D517-S521 VanDerWaalsContact O-CB 3.32Å; D517-S521 WeakPolarHBondContact O-CB 3.46Å; D517-S521 PolarHBondContact O-N 2.95Å; D517-S521 PolarHBondContact O-OG 2.81Å; I518-S521 PolarHBondContact O-N 3.36Å; E519-S521 VanDerWaalsContact C-N 3.3Å; E519-S521 PolarHBondContact O-N 3.02Å; S521-K524 PolarHBondContact O-N 3.19Å; S521-L525 PolarHBondContact O-N 2.57Å
522	F	96.2	Very high	94.2	Very high	9 Å²	9	51.1 Å²	51.1	4%	0.039	27%	0.267	C	S	.	.	H	α-helix	trans	-62.9	-41.4	171.8	-179.5	-102	0	0	0	111.8	F455 T488 Y491 I518 E519 K524 L525 S526 I538 L542	F455-F522 HydrophobicContact CE1-CD2 4.37Å; T488-F522 HydrophobicContact CG2-CZ 4.18Å; Y491-F522 VanDerWaalsContact CB-CD2 3.49Å; Y491-F522 AromaticContact CD1-CD1 3.26Å; Y491-F522 HydrophobicContact CD1-CD1 3.26Å; Y491-F522 HydrophobicContact CD1-CD2 4.11Å; Y491-F522 AromaticContact CD1-CE1 3.31Å; Y491-F522 HydrophobicContact CD1-CE1 3.31Å; Y491-F522 HydrophobicContact CD1-CE2 4.15Å; Y491-F522 AromaticContact CD1-CG 3.68Å; Y491-F522 HydrophobicContact CD1-CG 3.68Å; Y491-F522 AromaticContact CD1-CZ 3.77Å; Y491-F522 HydrophobicContact CD1-CZ 3.77Å; Y491-F522 HydrophobicContact CD2-CB 3.78Å; Y491-F522 AromaticContact CD2-CD1 3.98Å; Y491-F522 HydrophobicContact CD2-CD1 3.98Å; Y491-F522 HydrophobicContact CD2-CD2 4.46Å; Y491-F522 AromaticContact CD2-CG 3.79Å; Y491-F522 HydrophobicContact CD2-CG 3.79Å; Y491-F522 AromaticContact CE1-CD1 3.41Å; Y491-F522 HydrophobicContact CE1-CD1 3.41Å; Y491-F522 VanDerWaalsContact CE1-CD1 3.41Å; Y491-F522 AromaticContact CE1-CE1 3.57Å; Y491-F522 HydrophobicContact CE1-CE1 3.57Å; Y491-F522 HydrophobicContact CE1-CG 4.18Å; Y491-F522 HydrophobicContact CE1-CZ 4.44Å; Y491-F522 HydrophobicContact CE2-CB 4.21Å; Y491-F522 HydrophobicContact CE2-CD1 4.14Å; Y491-F522 HydrophobicContact CE2-CG 4.31Å; Y491-F522 HydrophobicContact CG-CB 3.96Å; Y491-F522 AromaticContact CG-CD1 3.54Å; Y491-F522 HydrophobicContact CG-CD1 3.54Å; Y491-F522 AromaticContact CG-CD2 3.79Å; Y491-F522 HydrophobicContact CG-CD2 3.79Å; Y491-F522 AromaticContact CG-CE1 3.98Å; Y491-F522 HydrophobicContact CG-CE1 3.98Å; Y491-F522 HydrophobicContact CG-CE2 4.2Å; Y491-F522 AromaticContact CG-CG 3.43Å; Y491-F522 HydrophobicContact CG-CG 3.43Å; Y491-F522 VanDerWaalsContact CG-CG 3.43Å; Y491-F522 HydrophobicContact CG-CZ 4.28Å; Y491-F522 AromaticContact CZ-CD1 3.87Å; I518-F522 WeakPolarHBondContact O-CB 3.43Å; I518-F522 PolarHBondContact O-N 2.99Å; E519-F522 PolarHBondContact O-N 3.46Å; F522-K524 VanDerWaalsContact C-N 3.26Å; F522-K524 PolarHBondContact O-N 3.32Å; F522-L525 CarbonylContact O-C 3.59Å; F522-L525 WeakPolarHBondContact O-CA 3.47Å; F522-L525 WeakPolarHBondContact O-CB 3.39Å; F522-L525 PolarHBondContact O-N 3.42Å; F522-S526 PolarHBondContact O-N 2.79Å; F522-I538 HydrophobicContact CZ-CG2 4.34Å; F522-L542 HydrophobicContact CE1-CD1 4.31Å; F522-L542 HydrophobicContact CE1-CD2 4.22Å
523	R	95	Very high	94.1	Very high	121 Å²	121	51.4 Å²	51.4	46%	0.457	27%	0.272	S	S	.	.	H	α-helix	trans	-56.9	-40.8	176.4	-156	-176.8	-54.2	115.2	-0.5	111.5	E519 N520 S526 S527	E519-R523 VanDerWaalsContact CD-NH2 3.33Å; E519-R523 VanDerWaalsContact O-CB 3.3Å; E519-R523 WeakPolarHBondContact O-CB 3.44Å; E519-R523 PolarHBondContact O-N 2.97Å; E519-R523 IonicContact OE1-CZ 3.68Å; E519-R523 IonicContact OE1-NE 3.15Å; E519-R523 IonicContact OE1-NH2 2.67Å; E519-R523 PolarHBondContact OE1-NH2 3.13Å; N520-R523 PolarHBondContact OD1-NH1 3.02Å; R523-S526 PolarHBondContact O-N 3.03Å; R523-S526 PolarHBondContact O-OG 3.37Å; R523-S527 PolarHBondContact O-N 3.47Å; R523-S527 PolarHBondContact O-OG 3.1Å
524	K	94.9	Very high	93.9	Very high	113 Å²	113	46.5 Å²	46.5	49%	0.491	25%	0.249	S	C	.	.	H	α-helix	trans	-69.6	-28.6	174.5	-64.4	164.1	-167.8	166.1	0	113.7	L459 N520 S521 F522 S527 F528	L459-K524 HydrophobicContact CD1-CB 4.11Å; L459-K524 HydrophobicContact CD1-CD 4.04Å; L459-K524 HydrophobicContact CD2-CB 3.61Å; N520-K524 WeakPolarHBondContact O-CD 3.25Å; N520-K524 WeakPolarHBondContact O-CE 3.37Å; N520-K524 VanDerWaalsContact O-CG 3.28Å; N520-K524 WeakPolarHBondContact O-CG 3.18Å; S521-K524 PolarHBondContact O-N 3.19Å; F522-K524 VanDerWaalsContact C-N 3.26Å; F522-K524 PolarHBondContact O-N 3.32Å; K524-S527 PolarHBondContact O-OG 3.09Å; K524-F528 VanDerWaalsContact O-CD2 3.26Å; K524-F528 WeakPolarHBondContact O-CD2 3.43Å; K524-F528 WeakPolarHBondContact O-CE2 3.36Å
525	L	91.6	Very high	93.7	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-75	-42.9	172.9	-71.6	169.3	0	0	0	111.1	F455 L459 L462 S521 F522 S527 F528	F455-L525 HydrophobicContact CB-CD1 3.87Å; F455-L525 HydrophobicContact CD1-CD1 3.36Å; F455-L525 HydrophobicContact CE1-CD1 4.22Å; F455-L525 HydrophobicContact CG-CD1 3.97Å; L459-L525 HydrophobicContact CD2-CD2 3.62Å; L459-L525 HydrophobicContact CD2-CG 3.78Å; L459-L525 HydrophobicContact CG-CD2 3.79Å; L459-L525 HydrophobicContact CG-CG 3.89Å; L462-L525 HydrophobicContact CD1-CD2 3.79Å; S521-L525 PolarHBondContact O-N 2.57Å; F522-L525 CarbonylContact O-C 3.59Å; F522-L525 WeakPolarHBondContact O-CA 3.47Å; F522-L525 WeakPolarHBondContact O-CB 3.39Å; F522-L525 PolarHBondContact O-N 3.42Å; L525-S527 PolarHBondContact O-N 2.83Å; L525-F528 WeakPolarHBondContact O-CB 3.38Å; L525-F528 PolarHBondContact O-N 2.66Å
526	S	92.5	Very high	93.4	Very high	39 Å²	39	53.9 Å²	53.9	27%	0.273	28%	0.284	S	S	.	.	H	α-helix	trans	-61.4	-26.1	177.5	69.1	0	0	0	0	113.5	F522 R523 F528 A529	F522-S526 PolarHBondContact O-N 2.79Å; R523-S526 PolarHBondContact O-N 3.03Å; R523-S526 PolarHBondContact O-OG 3.37Å; S526-F528 PolarHBondContact O-N 2.98Å; S526-A529 VanDerWaalsContact O-CB 3.29Å; S526-A529 WeakPolarHBondContact O-CB 3.41Å; S526-A529 PolarHBondContact O-N 3.4Å
527	S	92.9	Very high	93.1	Very high	77 Å²	77	54.9 Å²	54.9	54%	0.538	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-14.1	173.5	42.2	0	0	0	0	114.5	R523 K524 L525 A529	R523-S527 PolarHBondContact O-N 3.47Å; R523-S527 PolarHBondContact O-OG 3.1Å; K524-S527 PolarHBondContact O-OG 3.09Å; L525-S527 PolarHBondContact O-N 2.83Å; S527-A529 VanDerWaalsContact C-N 3.31Å
528	F	90	Very high	92.8	Very high	23 Å²	23	52.4 Å²	52.4	10%	0.101	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-10.1	169.2	-67.7	-87.8	0	0	0	112.9	L459 L462 L465 Q471 F474 A475 L484 K524 L525 S526 V530	L459-F528 HydrophobicContact CD2-CE2 4.3Å; L462-F528 HydrophobicContact CB-CD1 4.43Å; L462-F528 HydrophobicContact CB-CD2 4.44Å; L462-F528 HydrophobicContact CB-CE1 3.96Å; L462-F528 HydrophobicContact CB-CE2 3.96Å; L462-F528 HydrophobicContact CB-CZ 3.7Å; L462-F528 HydrophobicContact CD1-CD2 4.1Å; L462-F528 HydrophobicContact CD1-CE2 4.38Å; L462-F528 HydrophobicContact CD1-CG 4.27Å; L465-F528 HydrophobicContact CB-CE1 4.33Å; L465-F528 HydrophobicContact CD1-CD1 4.47Å; Q471-F528 HydrophobicContact CG-CD1 3.94Å; Q471-F528 HydrophobicContact CG-CE1 4.09Å; F474-F528 HydrophobicContact CD1-CB 4.47Å; F474-F528 HydrophobicContact CE1-CB 4.22Å; A475-F528 WeakPolarHBondContact CB-O 3.42Å; L484-F528 HydrophobicContact CD1-CB 4.39Å; L484-F528 HydrophobicContact CD2-CB 4.41Å; K524-F528 VanDerWaalsContact O-CD2 3.26Å; K524-F528 WeakPolarHBondContact O-CD2 3.43Å; K524-F528 WeakPolarHBondContact O-CE2 3.36Å; L525-F528 WeakPolarHBondContact O-CB 3.38Å; L525-F528 PolarHBondContact O-N 2.66Å; S526-F528 PolarHBondContact O-N 2.98Å; F528-V530 PolarHBondContact O-N 2.87Å
529	A	91.9	Very high	92.4	Very high	7 Å²	7	55.1 Å²	55.1	6%	0.058	28%	0.284	C	S	.	.			trans	-77.8	64.8	174.2	0	0	0	0	0	111.2	L484 S526 S527 L534 I538	L484-A529 HydrophobicContact CD1-CB 4.17Å; S526-A529 VanDerWaalsContact O-CB 3.29Å; S526-A529 WeakPolarHBondContact O-CB 3.41Å; S526-A529 PolarHBondContact O-N 3.4Å; S527-A529 VanDerWaalsContact C-N 3.31Å; A529-L534 HydrophobicContact CB-CD2 4.27Å; A529-L534 HydrophobicContact CB-CG 4.14Å; A529-I538 HydrophobicContact CB-CD1 3.69Å
530	V	90.8	Very high	91.9	Very high	47 Å²	47	55.6 Å²	55.6	29%	0.285	29%	0.286	S	S	.	.			trans	-75.7	-21.3	-176.3	-62.6	0	0	0	0	113.6	F472 A475 F528	F472-V530 HydrophobicContact CB-CG2 4.21Å; F472-V530 HydrophobicContact CD2-CG2 3.9Å; F472-V530 HydrophobicContact CG-CG2 4.39Å; A475-V530 HydrophobicContact CB-CG2 3.75Å; F528-V530 PolarHBondContact O-N 2.87Å
531	V	91.5	Very high	91.3	Very high	29 Å²	29	53.1 Å²	53.1	18%	0.176	27%	0.273	C	S	.	.	S	Bend	trans	-75.3	128.4	174.5	173.9	0	0	0	0	110.1	F472 A475 E476 D533 L534 K535	F472-V531 HydrophobicContact CD2-CG2 4.5Å; F472-V531 HydrophobicContact CE2-CG2 4.14Å; F472-V531 HydrophobicContact CZ-CG2 4.17Å; A475-V531 HydrophobicContact CB-CB 4.46Å; A475-V531 HydrophobicContact CB-CG2 3.87Å; E476-V531 HydrophobicContact CB-CG2 4.24Å; V531-D533 VanDerWaalsContact C-N 3.31Å; V531-D533 PolarHBondContact O-N 2.91Å; V531-L534 HydrophobicContact CB-CB 4.28Å; V531-L534 PolarHBondContact O-N 3.36Å; V531-K535 PolarHBondContact O-N 2.59Å
532	T	90.5	Very high	90.8	Very high	97 Å²	97	54.6 Å²	54.6	60%	0.595	28%	0.28	S	S	*	.	H	α-helix	trans	-54.4	-43.8	-174.6	48.9	0	0	0	0	113.3	K535 N536	T532-K535 PolarHBondContact O-N 3.41Å; T532-N536 WeakPolarHBondContact O-CB 3.36Å; T532-N536 PolarHBondContact O-N 3.38Å; T532-N536 PolarHBondContact O-ND2 3.06Å
533	D	90.6	Very high	90.1	Very high	101 Å²	101	60.7 Å²	60.7	54%	0.54	31%	0.306	S	S	.	.	H	α-helix	trans	-76.3	-32.2	-171.9	-65.4	10.1	0	0	0	111.6	V531 K537	V531-D533 VanDerWaalsContact C-N 3.31Å; V531-D533 PolarHBondContact O-N 2.91Å; D533-K537 VanDerWaalsContact O-CG 3.26Å; D533-K537 WeakPolarHBondContact O-CG 3.47Å; D533-K537 PolarHBondContact O-N 3.13Å; D533-K537 VanDerWaalsContact O-N 3.09Å
534	L	90.4	Very high	88.8	Confident	3 Å²	3	59.7 Å²	59.7	2%	0.016	31%	0.305	C	S	.	.	H	α-helix	trans	-68	-45.7	170.8	177.3	55.6	0	0	0	110.5	A475 C481 L484 L485 A529 V531 N536 K537 I538	A475-L534 HydrophobicContact CB-CD2 4.41Å; C481-L534 HydrophobicContact CB-CD2 4.36Å; L484-L534 HydrophobicContact CB-CD1 4.41Å; L484-L534 HydrophobicContact CB-CD2 4.19Å; L484-L534 HydrophobicContact CD1-CD2 3.65Å; L485-L534 HydrophobicContact CD1-CD1 4.42Å; L485-L534 HydrophobicContact CD2-CD1 3.86Å; L485-L534 HydrophobicContact CG-CD1 3.84Å; A529-L534 HydrophobicContact CB-CD2 4.27Å; A529-L534 HydrophobicContact CB-CG 4.14Å; V531-L534 HydrophobicContact CB-CB 4.28Å; V531-L534 PolarHBondContact O-N 3.36Å; L534-N536 VanDerWaalsContact C-N 3.34Å; L534-N536 PolarHBondContact O-N 3.45Å; L534-K537 PolarHBondContact O-N 3.47Å; L534-I538 HydrophobicContact CD1-CD1 4.14Å; L534-I538 HydrophobicContact CD1-CG1 4.46Å; L534-I538 HydrophobicContact CG-CD1 4.2Å; L534-I538 WeakPolarHBondContact O-CG1 3.29Å; L534-I538 PolarHBondContact O-N 3.41Å
535	K	92.5	Very high	87.4	Confident	112 Å²	112	54.8 Å²	54.8	49%	0.487	29%	0.285	S	S	.	.	H	α-helix	trans	-58.8	-45.1	174.1	-174.5	179.2	175.2	-176	0	111.8	V531 T532 K537 I538 D539	V531-K535 PolarHBondContact O-N 2.59Å; T532-K535 PolarHBondContact O-N 3.41Å; K535-K537 VanDerWaalsContact C-N 3.34Å; K535-K537 PolarHBondContact O-N 3.04Å; K535-I538 PolarHBondContact O-N 3.46Å; K535-I538 VanDerWaalsContact O-N 3.16Å; K535-D539 WeakPolarHBondContact CE-OD2 3.3Å; K535-D539 WeakPolarHBondContact O-CB 3.44Å; K535-D539 PolarHBondContact O-N 2.87Å
536	N	91	Very high	85.9	Confident	84 Å²	84	57.1 Å²	57.1	45%	0.449	30%	0.302	S	S	.	.	H	α-helix	trans	-59.3	-41.7	177.2	-74.9	-30.2	0	0	0	112.2	T532 L534 D539 Q540	T532-N536 WeakPolarHBondContact O-CB 3.36Å; T532-N536 PolarHBondContact O-N 3.38Å; T532-N536 PolarHBondContact O-ND2 3.06Å; L534-N536 VanDerWaalsContact C-N 3.34Å; L534-N536 PolarHBondContact O-N 3.45Å; N536-D539 PolarHBondContact O-N 2.83Å; N536-Q540 WeakPolarHBondContact O-CB 3.48Å; N536-Q540 WeakPolarHBondContact O-CG 3.39Å; N536-Q540 PolarHBondContact O-N 3.39Å
537	K	89	Confident	83.8	Confident	88 Å²	88	60.2 Å²	60.2	38%	0.383	32%	0.319	S	S	.	.	H	α-helix	trans	-62.7	-41.5	174.6	-72.1	165.4	-174.8	175.7	0	112.3	L485 D533 L534 K535 A541	L485-K537 HydrophobicContact CD2-CB 4.05Å; D533-K537 VanDerWaalsContact O-CG 3.26Å; D533-K537 WeakPolarHBondContact O-CG 3.47Å; D533-K537 PolarHBondContact O-N 3.13Å; D533-K537 VanDerWaalsContact O-N 3.09Å; L534-K537 PolarHBondContact O-N 3.47Å; K535-K537 VanDerWaalsContact C-N 3.34Å; K535-K537 PolarHBondContact O-N 3.04Å; K537-A541 WeakPolarHBondContact O-CB 3.42Å; K537-A541 PolarHBondContact O-N 3.29Å
538	I	90.3	Very high	81.9	Confident	4 Å²	4	59.5 Å²	59.5	2%	0.021	31%	0.314	C	S	.	.	H	α-helix	trans	-66.4	-50.9	176.6	-65.3	169	0	0	0	109.9	L484 L485 T488 F522 A529 L534 K535 Q540 A541 L542	L484-I538 HydrophobicContact CB-CD1 4.42Å; L485-I538 HydrophobicContact CD2-CG1 4.29Å; T488-I538 HydrophobicContact CG2-CG2 4.16Å; F522-I538 HydrophobicContact CZ-CG2 4.34Å; A529-I538 HydrophobicContact CB-CD1 3.69Å; L534-I538 HydrophobicContact CD1-CD1 4.14Å; L534-I538 HydrophobicContact CD1-CG1 4.46Å; L534-I538 HydrophobicContact CG-CD1 4.2Å; L534-I538 WeakPolarHBondContact O-CG1 3.29Å; L534-I538 PolarHBondContact O-N 3.41Å; K535-I538 PolarHBondContact O-N 3.46Å; K535-I538 VanDerWaalsContact O-N 3.16Å; I538-Q540 PolarHBondContact O-N 2.96Å; I538-A541 WeakPolarHBondContact O-CB 3.44Å; I538-A541 PolarHBondContact O-N 3.16Å; I538-A541 VanDerWaalsContact O-N 3.08Å; I538-L542 HydrophobicContact CG2-CD1 4.07Å; I538-L542 HydrophobicContact CG2-CG 4.25Å; I538-L542 WeakPolarHBondContact O-CG 3.32Å; I538-L542 PolarHBondContact O-N 2.96Å
539	D	89.4	Confident	80.1	Confident	58 Å²	58	62.2 Å²	62.2	31%	0.31	33%	0.327	S	S	.	.	H	α-helix	trans	-61.4	-28.4	179.1	-74.8	-19.4	0	0	0	112.7	K535 N536 K543	K535-D539 WeakPolarHBondContact CE-OD2 3.3Å; K535-D539 WeakPolarHBondContact O-CB 3.44Å; K535-D539 PolarHBondContact O-N 2.87Å; N536-D539 PolarHBondContact O-N 2.83Å; D539-K543 VanDerWaalsContact O-CD 3.26Å; D539-K543 WeakPolarHBondContact O-CD 3.36Å; D539-K543 WeakPolarHBondContact O-CE 3.46Å; D539-K543 VanDerWaalsContact O-CG 3.23Å; D539-K543 WeakPolarHBondContact O-CG 3.23Å; D539-K543 PolarHBondContact O-N 2.97Å
540	Q	86.1	Confident	77.8	Confident	93 Å²	93	67.7 Å²	67.7	44%	0.435	36%	0.355	S	S	.	.	H	α-helix	trans	-70.2	-51.7	169.7	-75.5	167	7.5	0	0	111.7	N536 I538 L542 K543 F544	N536-Q540 WeakPolarHBondContact O-CB 3.48Å; N536-Q540 WeakPolarHBondContact O-CG 3.39Å; N536-Q540 PolarHBondContact O-N 3.39Å; I538-Q540 PolarHBondContact O-N 2.96Å; Q540-L542 VanDerWaalsContact C-N 3.28Å; Q540-L542 PolarHBondContact O-N 3.28Å; Q540-K543 PolarHBondContact O-N 3.29Å; Q540-K543 VanDerWaalsContact O-N 3.09Å; Q540-F544 VanDerWaalsContact O-CD2 3.27Å; Q540-F544 WeakPolarHBondContact O-CD2 3.43Å; Q540-F544 PolarHBondContact O-N 2.76Å
541	A	84.1	Confident	75.6	Confident	3 Å²	3	73.2 Å²	73.2	3%	0.025	38%	0.378	C	S	.	.	H	α-helix	trans	-56.8	-40.6	178.6	0	0	0	0	0	112.7	T488 L492 K537 I538 K543 H600	T488-A541 HydrophobicContact CG2-CB 4.19Å; L492-A541 HydrophobicContact CD1-CB 3.83Å; K537-A541 WeakPolarHBondContact O-CB 3.42Å; K537-A541 PolarHBondContact O-N 3.29Å; I538-A541 WeakPolarHBondContact O-CB 3.44Å; I538-A541 PolarHBondContact O-N 3.16Å; I538-A541 VanDerWaalsContact O-N 3.08Å; A541-K543 VanDerWaalsContact C-N 3.33Å; A541-K543 PolarHBondContact O-N 2.91Å; A541-H600 VanDerWaalsContact CB-NE2 3.34Å; A541-H600 WeakPolarHBondContact CB-NE2 3.43Å
542	L	86.4	Confident	73.6	Confident	38 Å²	38	76 Å²	76	20%	0.199	39%	0.388	C	S	.	.	H	α-helix	trans	-65.4	-33.1	177.5	-65.9	-175.6	0	0	0	113.2	T488 Y491 L492 F522 I538 Q540 S546	T488-L542 HydrophobicContact CG2-CD2 4.42Å; Y491-L542 HydrophobicContact CD1-CD2 3.7Å; Y491-L542 HydrophobicContact CE1-CD2 3.56Å; L492-L542 HydrophobicContact CD1-CD2 4.44Å; L492-L542 HydrophobicContact CD2-CD2 3.79Å; L492-L542 HydrophobicContact CG-CD2 4.24Å; F522-L542 HydrophobicContact CE1-CD1 4.31Å; F522-L542 HydrophobicContact CE1-CD2 4.22Å; I538-L542 HydrophobicContact CG2-CD1 4.07Å; I538-L542 HydrophobicContact CG2-CG 4.25Å; I538-L542 WeakPolarHBondContact O-CG 3.32Å; I538-L542 PolarHBondContact O-N 2.96Å; Q540-L542 VanDerWaalsContact C-N 3.28Å; Q540-L542 PolarHBondContact O-N 3.28Å; L542-S546 PolarHBondContact O-N 3.29Å; L542-S546 PolarHBondContact O-OG 2.77Å
543	K	79.9	Confident	71.7	Confident	137 Å²	137	73.9 Å²	73.9	60%	0.596	38%	0.375	S	S	*	.	H	α-helix	trans	-68	-44.6	179.2	-75	164.5	-171.2	172	0	112	D539 Q540 A541 V545 S546 T547	D539-K543 VanDerWaalsContact O-CD 3.26Å; D539-K543 WeakPolarHBondContact O-CD 3.36Å; D539-K543 WeakPolarHBondContact O-CE 3.46Å; D539-K543 VanDerWaalsContact O-CG 3.23Å; D539-K543 WeakPolarHBondContact O-CG 3.23Å; D539-K543 PolarHBondContact O-N 2.97Å; Q540-K543 PolarHBondContact O-N 3.29Å; Q540-K543 VanDerWaalsContact O-N 3.09Å; A541-K543 VanDerWaalsContact C-N 3.33Å; A541-K543 PolarHBondContact O-N 2.91Å; K543-V545 VanDerWaalsContact C-N 3.3Å; K543-V545 PolarHBondContact O-N 3.03Å; K543-S546 WeakPolarHBondContact O-CA 3.48Å; K543-S546 WeakPolarHBondContact O-CB 3.2Å; K543-S546 PolarHBondContact O-N 2.81Å; K543-T547 PolarHBondContact O-N 3.37Å; K543-T547 PolarHBondContact O-OG1 3.28Å
544	F	68.4	Low	69.3	Low	100 Å²	100	74.8 Å²	74.8	44%	0.439	38%	0.378	S	S	.	.	H	α-helix	trans	-57.8	-37.8	-177.8	-76.7	-69.6	0	0	0	113.7	Q540 T547 N598	Q540-F544 VanDerWaalsContact O-CD2 3.27Å; Q540-F544 WeakPolarHBondContact O-CD2 3.43Å; Q540-F544 PolarHBondContact O-N 2.76Å; F544-T547 PolarHBondContact O-OG1 3.02Å; F544-N598 WeakPolarHBondContact CE2-ND2 3.27Å; F544-N598 WeakPolarHBondContact CZ-ND2 3.48Å
545	V	66.6	Low	67.2	Low	10 Å²	10	79.2 Å²	79.2	6%	0.061	40%	0.399	C	S	.	.	H	α-helix	trans	-84	-18.5	177	-180	0	0	0	0	112.5	L492 R495 I499 K543 S548	L492-V545 HydrophobicContact CB-CG2 4.4Å; L492-V545 HydrophobicContact CD1-CG2 4.41Å; L492-V545 HydrophobicContact CD2-CB 3.78Å; L492-V545 HydrophobicContact CD2-CG1 4.15Å; L492-V545 HydrophobicContact CD2-CG2 3.82Å; L492-V545 HydrophobicContact CG-CG2 4.43Å; R495-V545 HydrophobicContact CB-CG1 4Å; I499-V545 HydrophobicContact CD1-CG1 4.19Å; K543-V545 VanDerWaalsContact C-N 3.3Å; K543-V545 PolarHBondContact O-N 3.03Å; V545-S548 PolarHBondContact O-OG 2.92Å
546	S	58.4	Low	65.1	Low	50 Å²	50	74.8 Å²	74.8	35%	0.35	38%	0.381	S	S	.	.	H	α-helix	trans	-75.5	-31	171.8	-55.3	0	0	0	0	111.9	L542 K543 S548 E549	L542-S546 PolarHBondContact O-N 3.29Å; L542-S546 PolarHBondContact O-OG 2.77Å; K543-S546 WeakPolarHBondContact O-CA 3.48Å; K543-S546 WeakPolarHBondContact O-CB 3.2Å; K543-S546 PolarHBondContact O-N 2.81Å; S546-S548 VanDerWaalsContact C-N 3.28Å; S546-S548 PolarHBondContact O-N 3.38Å; S546-E549 PolarHBondContact O-N 2.83Å
547	T	50.2	Low	63.2	Low	103 Å²	103	75.8 Å²	75.8	63%	0.632	38%	0.381	S	S	*	.	H	α-helix	trans	-67	-26.4	175.4	29.9	0	0	0	0	113.5	K543 F544 E549	K543-T547 PolarHBondContact O-N 3.37Å; K543-T547 PolarHBondContact O-OG1 3.28Å; F544-T547 PolarHBondContact O-OG1 3.02Å; T547-E549 VanDerWaalsContact C-N 3.33Å
548	S	51.9	Low	61	Low	62 Å²	62	78.9 Å²	78.9	43%	0.434	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	18.8	174.4	70.3	0	0	0	0	113.9	V545 S546 N550	V545-S548 PolarHBondContact O-OG 2.92Å; S546-S548 VanDerWaalsContact C-N 3.28Å; S546-S548 PolarHBondContact O-N 3.38Å; S548-N550 VanDerWaalsContact C-N 3.34Å
549	E	51.3	Low	59.1	Low	81 Å²	81	82.2 Å²	82.2	38%	0.379	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-13	169.2	-67.9	-167	-140.9	0	0	112.2	R495 I499 K502 S546 T547	R495-E549 IonicContact CZ-OE1 3.21Å; R495-E549 VanDerWaalsContact CZ-OE1 3.27Å; R495-E549 IonicContact NH1-OE1 3.78Å; R495-E549 PolarHBondContact NH1-OE1 3.16Å; R495-E549 IonicContact NH2-OE1 2.62Å; R495-E549 PolarHBondContact NH2-OE1 2.86Å; I499-E549 HydrophobicContact CD1-CG 3.83Å; I499-E549 HydrophobicContact CG1-CG 4.18Å; K502-E549 IonicContact NZ-OE2 3.93Å; S546-E549 PolarHBondContact O-N 2.83Å; T547-E549 VanDerWaalsContact C-N 3.33Å
550	N	44.4	Very low	57.5	Low	122 Å²	122	83.9 Å²	83.9	65%	0.652	43%	0.433	S	S	*	.	S	Bend	trans	-122.2	145.3	168.9	-48.8	-73.9	0	0	0	107.7	S548	S548-N550 VanDerWaalsContact C-N 3.34Å
551	E	45.7	Very low	56.1	Low	163 Å²	163	85.1 Å²	85.1	76%	0.762	45%	0.447	S	S	*	.	S	Bend	trans	65	143.4	179.7	-59.5	176.8	137.8	0	0	113.7
552	F	49.3	Very low	55	Low	87 Å²	87	86.9 Å²	86.9	38%	0.382	46%	0.458	S	S	.	.			cis	-150.9	73.3	-10.8	-133	-51.5	0	0	0	110.7	I554 E555 D556	F552-I554 PolarHBondContact O-N 2.84Å; F552-E555 HydrophobicContact CB-CB 4.11Å; F552-E555 HydrophobicContact CB-CG 4.2Å; F552-E555 HydrophobicContact CD1-CB 4.31Å; F552-E555 HydrophobicContact CD1-CG 3.63Å; F552-E555 HydrophobicContact CD2-CG 4.26Å; F552-E555 WeakPolarHBondContact CD2-OE2 3.33Å; F552-E555 HydrophobicContact CE1-CG 3.99Å; F552-E555 HydrophobicContact CG-CB 4.26Å; F552-E555 HydrophobicContact CG-CG 3.78Å; F552-E555 HydrophobicContact CZ-CG 4.47Å; F552-E555 PolarHBondContact O-N 3Å; F552-D556 PolarHBondContact O-N 3.06Å; F552-D556 VanDerWaalsContact O-N 3.16Å
553	V	49	Very low	54	Low	53 Å²	53	87.5 Å²	87.5	32%	0.321	46%	0.458	S	S	.	.	H	α-helix	trans	-49.4	-33.2	-176.2	180	0	0	0	0	113.5	N503 F557	N503-V553 HydrophobicContact CB-CG2 4.28Å; N503-V553 WeakPolarHBondContact ND2-CG2 3.11Å; V553-F557 HydrophobicContact CG1-CD2 4Å; V553-F557 HydrophobicContact CG1-CE2 3.92Å; V553-F557 VanDerWaalsContact O-CD2 3.23Å; V553-F557 WeakPolarHBondContact O-CD2 3.21Å; V553-F557 PolarHBondContact O-N 3.36Å
554	I	40.7	Very low	53.9	Low	120 Å²	120	82.1 Å²	82.1	62%	0.615	44%	0.438	S	S	*	.	H	α-helix	trans	-73.1	-35.8	179.9	-61.9	174.3	0	0	0	112.3	F552 M558	F552-I554 PolarHBondContact O-N 2.84Å; I554-M558 WeakPolarHBondContact O-CG 3.5Å; I554-M558 PolarHBondContact O-N 2.95Å
555	E	46.1	Very low	54.6	Low	95 Å²	95	79.8 Å²	79.8	44%	0.444	43%	0.427	S	S	.	.	H	α-helix	trans	-76.2	-37.4	177.8	-63.5	-174.3	156.2	0	0	111.4	F552 F557 M558 N559	F552-E555 HydrophobicContact CB-CB 4.11Å; F552-E555 HydrophobicContact CB-CG 4.2Å; F552-E555 HydrophobicContact CD1-CB 4.31Å; F552-E555 HydrophobicContact CD1-CG 3.63Å; F552-E555 HydrophobicContact CD2-CG 4.26Å; F552-E555 WeakPolarHBondContact CD2-OE2 3.33Å; F552-E555 HydrophobicContact CE1-CG 3.99Å; F552-E555 HydrophobicContact CG-CB 4.26Å; F552-E555 HydrophobicContact CG-CG 3.78Å; F552-E555 HydrophobicContact CZ-CG 4.47Å; F552-E555 PolarHBondContact O-N 3Å; E555-F557 PolarHBondContact O-N 3.37Å; E555-M558 PolarHBondContact O-N 2.81Å; E555-N559 WeakPolarHBondContact O-CB 3.41Å; E555-N559 PolarHBondContact O-N 2.85Å
556	D	49.7	Very low	55.6	Low	20 Å²	20	79.3 Å²	79.3	11%	0.107	42%	0.424	C	S	.	.	H	α-helix	trans	-56.8	-35.1	173.4	-69.3	-3.1	0	0	0	112.2	F552 Y565 S572	F552-D556 PolarHBondContact O-N 3.06Å; F552-D556 VanDerWaalsContact O-N 3.16Å; D556-Y565 WeakPolarHBondContact CB-OH 3.48Å; D556-S572 WeakPolarHBondContact OD2-CB 3.25Å; D556-S572 PolarHBondContact OD2-OG 2.99Å
557	F	49.5	Very low	56.8	Low	105 Å²	105	77 Å²	77	46%	0.461	41%	0.409	S	S	.	.	H	α-helix	trans	-77.4	-28.7	175	-87.7	-61.5	0	0	0	114.2	V553 E555 Y565 I632	V553-F557 HydrophobicContact CG1-CD2 4Å; V553-F557 HydrophobicContact CG1-CE2 3.92Å; V553-F557 VanDerWaalsContact O-CD2 3.23Å; V553-F557 WeakPolarHBondContact O-CD2 3.21Å; V553-F557 PolarHBondContact O-N 3.36Å; E555-F557 PolarHBondContact O-N 3.37Å; F557-Y565 HydrophobicContact CE1-CE2 4.31Å; F557-I632 HydrophobicContact CE1-CD1 4.33Å; F557-I632 HydrophobicContact CZ-CD1 3.91Å; F557-I632 HydrophobicContact CZ-CG2 4.37Å
558	M	42.7	Very low	58.6	Low	152 Å²	152	72.1 Å²	72.1	75%	0.749	38%	0.379	S	S	*	.	H	α-helix	trans	-77.4	-36.6	175.8	-67.5	-67.1	176.5	0	0	111.5	I554 E555 S560	I554-M558 WeakPolarHBondContact O-CG 3.5Å; I554-M558 PolarHBondContact O-N 2.95Å; E555-M558 PolarHBondContact O-N 2.81Å; M558-S560 PolarHBondContact O-N 2.82Å
559	N	51.2	Low	60.4	Low	74 Å²	74	69.2 Å²	69.2	40%	0.396	36%	0.358	S	S	.	.			trans	-97.4	50.9	-175.9	-63.5	-34.8	0	0	0	112.2	E555 T561 T562 F563	E555-N559 WeakPolarHBondContact O-CB 3.41Å; E555-N559 PolarHBondContact O-N 2.85Å; N559-T561 PolarHBondContact O-N 3.34Å; N559-T562 WeakPolarHBondContact CB-OG1 3.35Å; N559-T562 PolarHBondContact O-N 3Å; N559-T562 PolarHBondContact O-OG1 3.35Å; N559-F563 HydrophobicContact CB-CD2 4.02Å; N559-F563 HydrophobicContact CB-CE2 4.31Å; N559-F563 PolarHBondContact O-N 3.48Å; N559-F563 VanDerWaalsContact O-N 3.11Å
560	S	55.6	Low	62.1	Low	93 Å²	93	65.5 Å²	65.5	65%	0.65	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	3.3	-178.5	79.3	0	0	0	0	115.1	M558	M558-S560 PolarHBondContact O-N 2.82Å
561	T	57.1	Low	64.1	Low	120 Å²	120	60.6 Å²	60.6	74%	0.736	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	-23.4	171.6	47.6	0	0	0	0	112.6	N559	N559-T561 PolarHBondContact O-N 3.34Å
562	T	61.2	Low	65.7	Low	40 Å²	40	54.9 Å²	54.9	25%	0.245	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-20.7	178.1	63.4	0	0	0	0	112.7	N559 L575 T576	N559-T562 WeakPolarHBondContact CB-OG1 3.35Å; N559-T562 PolarHBondContact O-N 3Å; N559-T562 PolarHBondContact O-OG1 3.35Å; T562-L575 WeakPolarHBondContact O-CB 3.3Å; T562-L575 WeakPolarHBondContact O-CG 3.48Å; T562-L575 PolarHBondContact O-N 2.95Å; T562-T576 HydrophobicContact CG2-CG2 4.19Å
563	F	64.4	Low	67.1	Low	50 Å²	50	51 Å²	51	22%	0.219	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	140	178.9	-63.8	-76	0	0	0	113	N559 I573	N559-F563 HydrophobicContact CB-CD2 4.02Å; N559-F563 HydrophobicContact CB-CE2 4.31Å; N559-F563 PolarHBondContact O-N 3.48Å; N559-F563 VanDerWaalsContact O-N 3.11Å; F563-I573 WeakPolarHBondContact CA-O 3.39Å
564	S	79	Confident	68.3	Low	25 Å²	25	49.8 Å²	49.8	18%	0.175	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	161.9	164.9	-81.3	0	0	0	0	109.9	S572 I573 Y610	S564-S572 CarbonylContact O-C 3.57Å; S564-S572 WeakPolarHBondContact O-CA 3.45Å; S564-I573 PolarHBondContact N-O 3.16Å; S564-I573 WeakPolarHBondContact O-CB 3.36Å; S564-I573 PolarHBondContact O-N 3.41Å; S564-Y610 WeakPolarHBondContact OG-CD2 3.11Å; S564-Y610 WeakPolarHBondContact OG-CE2 3.48Å
565	Y	82.8	Confident	69.7	Low	50 Å²	50	46.4 Å²	46.4	20%	0.196	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	138.5	-179.3	-68	-88.7	0	0	0	111.6	D556 F557 G567 I632	D556-Y565 WeakPolarHBondContact CB-OH 3.48Å; F557-Y565 HydrophobicContact CE1-CE2 4.31Å; Y565-G567 PolarHBondContact O-N 3.03Å; Y565-I632 HydrophobicContact CD1-CD1 3.89Å; Y565-I632 HydrophobicContact CD2-CD1 3.95Å; Y565-I632 HydrophobicContact CE1-CD1 4.05Å; Y565-I632 HydrophobicContact CE2-CD1 4.11Å; Y565-I632 HydrophobicContact CG-CD1 3.83Å
566	C	86.9	Confident	70.4	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-67.2	121.6	176.7	177.5	0	0	0	0	111.4	V568 C569 L570 S571 I573 Y610 H612	C566-V568 PolarHBondContact O-N 3.33Å; C566-C569 WeakPolarHBondContact CB-SG 3.26Å; C566-C569 PolarHBondContact O-N 3.4Å; C566-C569 VanDerWaalsContact SG-SG 3.6Å; C566-L570 VanDerWaalsContact O-CA 3.28Å; C566-L570 WeakPolarHBondContact O-CA 3.42Å; C566-L570 PolarHBondContact O-N 3.38Å; C566-S571 PolarHBondContact N-O 3.19Å; C566-I573 HydrophobicContact CB-CD1 3.84Å; C566-I573 HydrophobicContact CB-CG1 4.32Å; C566-Y610 CarbonylContact C-O 3.57Å; C566-Y610 VanDerWaalsContact CA-O 3.31Å; C566-Y610 WeakPolarHBondContact CA-O 3.49Å; C566-H612 WeakPolarHBondContact CB-ND1 3.47Å
567	G	84.5	Confident	70.8	Confident	3 Å²	3	51.3 Å²	51.3	3%	0.031	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-5	-178.9	0	0	0	0	0	116.7	Y565 Y610 L630	Y565-G567 PolarHBondContact O-N 3.03Å; G567-Y610 PolarHBondContact N-O 2.72Å; G567-L630 VanDerWaalsContact O-CB 3.28Å; G567-L630 WeakPolarHBondContact O-CB 3.25Å; G567-L630 VanDerWaalsContact O-CG 3.3Å; G567-L630 WeakPolarHBondContact O-CG 2.98Å
568	V	87.4	Confident	71.2	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-50.4	177	170.4	0	0	0	0	112.3	W444 C566 Y611 C615 W619 P628 L630	W444-V568 PolarHBondContact NE1-O 2.87Å; C566-V568 PolarHBondContact O-N 3.33Å; V568-Y611 HydrophobicContact CG2-CD1 3.96Å; V568-Y611 HydrophobicContact CG2-CE1 4.34Å; V568-C615 HydrophobicContact CB-CB 3.88Å; V568-C615 HydrophobicContact CG1-CB 3.89Å; V568-C615 HydrophobicContact CG2-CB 4.47Å; V568-W619 HydrophobicContact CG1-CE3 4.03Å; V568-W619 HydrophobicContact CG2-CB 4.22Å; V568-W619 HydrophobicContact CG2-CG 4.41Å; V568-P628 HydrophobicContact CB-CG 4.37Å; V568-P628 HydrophobicContact CG2-CG 3.52Å; V568-L630 WeakPolarHBondContact O-CD1 3.22Å
569	C	90.6	Very high	72	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-10.3	-176.7	70.7	0	0	0	0	114.1	R496 I497 S500 C566 S571 H612	R496-C569 HydrophobicContact CB-CB 3.96Å; I497-C569 HydrophobicContact CG1-CB 3.7Å; S500-C569 WeakPolarHBondContact CB-O 3.45Å; S500-C569 PolarHBondContact OG-O 3.3Å; C566-C569 WeakPolarHBondContact CB-SG 3.26Å; C566-C569 PolarHBondContact O-N 3.4Å; C566-C569 VanDerWaalsContact SG-SG 3.6Å; C569-S571 PolarHBondContact O-N 3.09Å; C569-S571 VanDerWaalsContact O-N 3.15Å; C569-S571 PolarHBondContact SG-OG 2.95Å; C569-H612 PolarHBondContact SG-ND1 2.97Å
570	L	86.9	Confident	72.3	Confident	4 Å²	4	43.4 Å²	43.4	2%	0.021	25%	0.253	C	S	.	.			trans	50.7	31.6	-174.8	-55.3	176.7	0	0	0	113.3	L440 W444 S500 Y504 C566 L630 K631 I632	L440-L570 HydrophobicContact CD1-CD1 3.95Å; L440-L570 HydrophobicContact CD2-CD1 3.79Å; W444-L570 HydrophobicContact CH2-CB 4.41Å; W444-L570 HydrophobicContact CH2-CD1 4.04Å; W444-L570 HydrophobicContact CZ2-CB 3.98Å; W444-L570 HydrophobicContact CZ2-CD1 3.73Å; W444-L570 HydrophobicContact CZ2-CG 3.92Å; S500-L570 PolarHBondContact OG-O 3.11Å; Y504-L570 HydrophobicContact CE2-CB 3.74Å; Y504-L570 HydrophobicContact CE2-CD1 4.46Å; Y504-L570 WeakPolarHBondContact CE2-O 3.3Å; Y504-L570 PolarHBondContact OH-O 2.95Å; Y504-L570 VanDerWaalsContact OH-O 3.1Å; C566-L570 VanDerWaalsContact O-CA 3.28Å; C566-L570 WeakPolarHBondContact O-CA 3.42Å; C566-L570 PolarHBondContact O-N 3.38Å; L570-L630 HydrophobicContact CD1-CB 4.36Å; L570-L630 HydrophobicContact CD2-CB 4Å; L570-L630 HydrophobicContact CG-CB 4.31Å; L570-K631 WeakPolarHBondContact CD1-O 3.47Å; L570-I632 HydrophobicContact CB-CG1 4.49Å; L570-I632 HydrophobicContact CD1-CG1 4.46Å; L570-I632 HydrophobicContact CD2-CG1 4.27Å
571	S	85.3	Confident	72.4	Confident	19 Å²	19	42.9 Å²	42.9	13%	0.133	24%	0.242	C	C	.	.			trans	-96.1	152	167.5	-35.5	0	0	0	0	108.5	R496 S500 C566 C569	R496-S571 PolarHBondContact O-OG 2.92Å; S500-S571 PolarHBondContact OG-N 3Å; S500-S571 PolarHBondContact OG-OG 3.4Å; S500-S571 VanDerWaalsContact OG-OG 3.07Å; C566-S571 PolarHBondContact N-O 3.19Å; C569-S571 PolarHBondContact O-N 3.09Å; C569-S571 VanDerWaalsContact O-N 3.15Å; C569-S571 PolarHBondContact SG-OG 2.95Å
572	S	80.4	Confident	72	Confident	43 Å²	43	40.3 Å²	40.3	30%	0.301	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	153.2	177.9	35	0	0	0	0	112.2	D556 S564	D556-S572 WeakPolarHBondContact OD2-CB 3.25Å; D556-S572 PolarHBondContact OD2-OG 2.99Å; S564-S572 CarbonylContact O-C 3.57Å; S564-S572 WeakPolarHBondContact O-CA 3.45Å
573	I	77.6	Confident	71	Confident	6 Å²	6	43.2 Å²	43.2	3%	0.031	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	116.2	177.2	-65.6	170.6	0	0	0	104.9	F563 S564 C566 L575 Y603	F563-I573 WeakPolarHBondContact CA-O 3.39Å; S564-I573 PolarHBondContact N-O 3.16Å; S564-I573 WeakPolarHBondContact O-CB 3.36Å; S564-I573 PolarHBondContact O-N 3.41Å; C566-I573 HydrophobicContact CB-CD1 3.84Å; C566-I573 HydrophobicContact CB-CG1 4.32Å; I573-L575 PolarHBondContact O-N 2.79Å; I573-Y603 HydrophobicContact CG2-CD1 3.4Å; I573-Y603 HydrophobicContact CG2-CD2 4.41Å; I573-Y603 HydrophobicContact CG2-CE1 3.81Å; I573-Y603 HydrophobicContact CG2-CG 3.73Å
574	S	74	Confident	69.6	Low	27 Å²	27	49.9 Å²	49.9	19%	0.189	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	124.7	168.9	171.4	0	0	0	0	109.7	T576 D577	S574-T576 VanDerWaalsContact C-N 3.33Å; S574-T576 PolarHBondContact OG-N 3.25Å; S574-T576 VanDerWaalsContact OG-N 3.14Å; S574-T576 PolarHBondContact OG-OG1 2.6Å; S574-D577 WeakPolarHBondContact CB-OD2 3.42Å; S574-D577 PolarHBondContact OG-N 3.13Å; S574-D577 VanDerWaalsContact OG-N 3.11Å; S574-D577 PolarHBondContact OG-OD2 3.29Å
575	L	70.7	Confident	67.3	Low	48 Å²	48	53.3 Å²	53.3	25%	0.251	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-7.3	171.9	-56.6	179.1	0	0	0	112.3	T562 I573 Y603 Y610	T562-L575 WeakPolarHBondContact O-CB 3.3Å; T562-L575 WeakPolarHBondContact O-CG 3.48Å; T562-L575 PolarHBondContact O-N 2.95Å; I573-L575 PolarHBondContact O-N 2.79Å; L575-Y603 HydrophobicContact CD2-CE2 4.12Å; L575-Y610 HydrophobicContact CD2-CD1 3.81Å; L575-Y610 HydrophobicContact CD2-CE1 3.49Å; L575-Y610 VanDerWaalsContact CD2-CE1 3.49Å
576	T	60	Low	64.6	Low	95 Å²	95	59 Å²	59	58%	0.583	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-30.6	177.9	45.5	0	0	0	0	113	T562 S574	T562-T576 HydrophobicContact CG2-CG2 4.19Å; S574-T576 VanDerWaalsContact C-N 3.33Å; S574-T576 PolarHBondContact OG-N 3.25Å; S574-T576 VanDerWaalsContact OG-N 3.14Å; S574-T576 PolarHBondContact OG-OG1 2.6Å
577	D	58.3	Low	61.9	Low	124 Å²	124	61.7 Å²	61.7	66%	0.663	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.3	-11	-168.1	-47.4	-71.7	0	0	0	114	S574	S574-D577 WeakPolarHBondContact CB-OD2 3.42Å; S574-D577 PolarHBondContact OG-N 3.13Å; S574-D577 VanDerWaalsContact OG-N 3.11Å; S574-D577 PolarHBondContact OG-OD2 3.29Å
578	G	58.6	Low	59.2	Low	16 Å²	16	68.2 Å²	68.2	17%	0.165	40%	0.399	C	S	.	.	S	Bend	trans	-104.7	146	-179.4	0	0	0	0	0	113.3	Y603	G578-Y603 WeakPolarHBondContact O-CE1 3.24Å
579	Q	59.5	Low	56.5	Low	133 Å²	133	73.3 Å²	73.3	62%	0.621	44%	0.435	S	S	*	.			trans	-87.4	115	176.8	-166.4	173.8	27.3	0	0	111	I581 V602	Q579-I581 PolarHBondContact O-N 2.99Å; Q579-V602 WeakPolarHBondContact O-CG1 3.37Å
580	C	57.9	Low	53.6	Low	15 Å²	15	78.3 Å²	78.3	10%	0.101	47%	0.469	C	S	.	.	B	Isolated β-bridge	trans	-74.9	116.8	168.6	-171.2	0	0	0	0	110.3	N582 N583 Y603	C580-N582 VanDerWaalsContact C-N 3.27Å; C580-N582 PolarHBondContact O-N 3.43Å; C580-N583 HydrophobicContact CB-CB 4.42Å; C580-N583 WeakPolarHBondContact CB-OD1 3.29Å; C580-N583 PolarHBondContact SG-OD1 2.93Å; C580-Y603 HydrophobicContact CB-CD2 4.06Å; C580-Y603 HydrophobicContact CB-CE2 3.38Å
581	I	57.1	Low	50.9	Low	82 Å²	82	86.7 Å²	86.7	42%	0.421	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-9.9	-179	64.1	159.7	0	0	0	114.4	Q579 V602 Y603 I604 I613	Q579-I581 PolarHBondContact O-N 2.99Å; I581-V602 HydrophobicContact CG2-CG1 3.54Å; I581-Y603 PolarHBondContact N-O 3.4Å; I581-I604 HydrophobicContact CD1-CG2 3.55Å; I581-I604 HydrophobicContact CG1-CG2 3.46Å; I581-I604 VanDerWaalsContact CG1-CG2 3.46Å; I581-I613 HydrophobicContact CD1-CD1 3.69Å; I581-I613 HydrophobicContact CG1-CD1 4.12Å; I581-I613 HydrophobicContact CG2-CD1 4.3Å
582	N	49.8	Very low	48.2	Very low	67 Å²	67	90 Å²	90	36%	0.358	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	3.5	-177.2	-67.7	-1.8	0	0	0	113.4	C580 H584 N605	C580-N582 VanDerWaalsContact C-N 3.27Å; C580-N582 PolarHBondContact O-N 3.43Å; N582-H584 PolarHBondContact O-N 3.44Å; N582-H584 VanDerWaalsContact O-N 3.14Å; N582-N605 PolarHBondContact ND2-O 3.11Å
583	N	40.1	Very low	45.8	Very low	100 Å²	100	95.7 Å²	95.7	54%	0.535	55%	0.551	S	S	.	*			trans	-77.5	98.7	-179.4	-81	15.4	0	0	0	111.1	C580 C585	C580-N583 HydrophobicContact CB-CB 4.42Å; C580-N583 WeakPolarHBondContact CB-OD1 3.29Å; C580-N583 PolarHBondContact SG-OD1 2.93Å; N583-C585 PolarHBondContact O-N 3.31Å
584	H	35.2	Very low	43.4	Very low	191 Å²	191	104.6 Å²	104.6	88%	0.884	59%	0.592	S	S	*	*			trans	-69.4	21.9	169.1	-96.9	-78.7	0	0	0	114.1	N582 N586	N582-H584 PolarHBondContact O-N 3.44Å; N582-H584 VanDerWaalsContact O-N 3.14Å; H584-N586 PolarHBondContact O-N 3.34Å
585	C	29.8	Very low	41.3	Very low	96 Å²	96	111.4 Å²	111.4	65%	0.649	62%	0.621	S	S	*	*			trans	-69.2	114.1	-176.7	-56.6	0	0	0	0	110.5	N583 G587	N583-C585 PolarHBondContact O-N 3.31Å; C585-G587 PolarHBondContact O-N 2.97Å
586	N	27.1	Very low	39.5	Very low	171 Å²	171	116.8 Å²	116.8	91%	0.914	65%	0.645	S	S	*	*			trans	-56.6	101.2	175.4	-70.4	-59.1	0	0	0	111.1	H584	H584-N586 PolarHBondContact O-N 3.34Å
587	G	28.5	Very low	38.6	Very low	56 Å²	56	116.6 Å²	116.6	58%	0.577	64%	0.644	S	S	*	*			trans	-147.3	104.9	-173.6	0	0	0	0	0	112.4	C585 S589	C585-G587 PolarHBondContact O-N 2.97Å; G587-S589 VanDerWaalsContact C-N 3.27Å; G587-S589 PolarHBondContact O-N 2.86Å
588	S	28	Very low	38.2	Very low	140 Å²	140	113.5 Å²	113.5	98%	0.979	63%	0.627	S	S	*	*			trans	-77.5	62.7	-174.2	-54.3	0	0	0	0	113.8
589	S	32.2	Very low	37.8	Very low	107 Å²	107	116.8 Å²	116.8	75%	0.748	64%	0.635	S	S	*	*			trans	-95	119.4	169	59.2	0	0	0	0	110.8	G587	G587-S589 VanDerWaalsContact C-N 3.27Å; G587-S589 PolarHBondContact O-N 2.86Å
590	S	29.1	Very low	37.5	Very low	104 Å²	104	110.8 Å²	110.8	73%	0.727	61%	0.607	S	S	*	*			trans	-61.7	135.6	-177.7	44	0	0	0	0	112.9	S592	S590-S592 PolarHBondContact O-N 3.28Å; S590-S592 PolarHBondContact O-OG 2.94Å
591	F	29	Very low	37.7	Very low	181 Å²	181	114.1 Å²	114.1	79%	0.794	62%	0.624	S	S	*	*			trans	-71	75.1	179.6	-164.9	-92.1	0	0	0	111	Q593	F591-Q593 PolarHBondContact O-N 2.96Å
592	S	29.1	Very low	38.3	Very low	88 Å²	88	111.4 Å²	111.4	62%	0.615	61%	0.611	S	S	*	*			trans	-77.4	109.6	-177.8	41.4	0	0	0	0	110.7	S590 Q594	S590-S592 PolarHBondContact O-N 3.28Å; S590-S592 PolarHBondContact O-OG 2.94Å; S592-Q594 PolarHBondContact O-N 3.33Å
593	Q	29.7	Very low	39.6	Very low	163 Å²	163	108.8 Å²	108.8	76%	0.762	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	82.1	-178.3	-63.7	169.9	-15.3	0	0	111.6	F591	F591-Q593 PolarHBondContact O-N 2.96Å
594	Q	27.9	Very low	41.2	Very low	193 Å²	193	105 Å²	105	90%	0.902	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-165.1	-16.4	165.8	-115.5	157.2	30	0	0	116.5	S592 Q596	S592-Q594 PolarHBondContact O-N 3.33Å; Q594-Q596 PolarHBondContact O-N 3.45Å
595	Q	29.1	Very low	43.1	Very low	169 Å²	169	98.1 Å²	98.1	79%	0.79	55%	0.545	S	S	*	.			trans	-76.6	115	-178.5	-68.1	-171	-2.2	0	0	111.9	T597	Q595-T597 PolarHBondContact O-N 3.25Å
596	Q	33.2	Very low	44.7	Very low	161 Å²	161	96.6 Å²	96.6	75%	0.752	53%	0.53	S	S	*	.			trans	-71.3	88.9	174.4	-176	170.1	61.9	0	0	109.1	Q594 N598	Q594-Q596 PolarHBondContact O-N 3.45Å; Q596-N598 PolarHBondContact O-N 3.27Å
597	T	41.9	Very low	46.3	Very low	92 Å²	92	91 Å²	91	56%	0.564	51%	0.507	S	S	*	.			trans	-64.2	120.9	-171.3	46	0	0	0	0	111.9	Q595 Y599	Q595-T597 PolarHBondContact O-N 3.25Å; T597-Y599 VanDerWaalsContact C-N 3.28Å; T597-Y599 PolarHBondContact O-N 3.06Å
598	N	49.1	Very low	48	Very low	58 Å²	58	90.6 Å²	90.6	31%	0.31	50%	0.503	S	S	.	.			trans	-70.6	85.6	172	-99.5	-23.9	0	0	0	109.4	F544 Q596 H600 L601	F544-N598 WeakPolarHBondContact CE2-ND2 3.27Å; F544-N598 WeakPolarHBondContact CZ-ND2 3.48Å; Q596-N598 PolarHBondContact O-N 3.27Å; N598-H600 PolarHBondContact O-N 2.62Å; N598-L601 HydrophobicContact CB-CD1 3.85Å; N598-L601 HydrophobicContact CB-CG 4.11Å; N598-L601 WeakPolarHBondContact O-CB 3.45Å; N598-L601 PolarHBondContact O-N 3.39Å
599	Y	50	Low	49.9	Very low	85 Å²	85	86.7 Å²	86.7	33%	0.333	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-53.3	-28.1	-177.1	52	-79	0	0	0	113.6	E489 T597 L601 V602	E489-Y599 HydrophobicContact CG-CD2 3.97Å; E489-Y599 HydrophobicContact CG-CE2 3.74Å; E489-Y599 VanDerWaalsContact OE1-CD2 3.28Å; E489-Y599 WeakPolarHBondContact OE1-CD2 3.39Å; T597-Y599 VanDerWaalsContact C-N 3.28Å; T597-Y599 PolarHBondContact O-N 3.06Å; Y599-L601 PolarHBondContact O-N 2.82Å; Y599-V602 WeakPolarHBondContact O-CB 3.32Å; Y599-V602 PolarHBondContact O-N 3.36Å; Y599-V602 VanDerWaalsContact O-N 3.15Å
600	H	54.1	Low	52.3	Low	7 Å²	7	84.2 Å²	84.2	3%	0.032	44%	0.442	C	S	.	.	G	3₁₀ helix	trans	-55.8	-28.9	171	-64.5	-75.5	0	0	0	115.1	E489 L492 A541 N598	E489-H600 VanDerWaalsContact CD-ND1 3.32Å; E489-H600 IonicContact OE1-CE1 3.27Å; E489-H600 PolarHBondContact OE1-CE1 2.62Å; E489-H600 IonicContact OE1-CG 2.62Å; E489-H600 IonicContact OE1-ND1 2.67Å; E489-H600 PolarHBondContact OE1-ND1 3.46Å; E489-H600 IonicContact OE1-NE2 3.67Å; E489-H600 IonicContact OE2-CE1 3.99Å; E489-H600 IonicContact OE2-ND1 3Å; E489-H600 PolarHBondContact OE2-ND1 3.27Å; L492-H600 WeakPolarHBondContact CD1-CE1 3.33Å; A541-H600 VanDerWaalsContact CB-NE2 3.34Å; A541-H600 WeakPolarHBondContact CB-NE2 3.43Å; N598-H600 PolarHBondContact O-N 2.62Å
601	L	61.9	Low	54.7	Low	86 Å²	86	79.8 Å²	79.8	45%	0.45	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-93.3	-0.8	-177.3	-57.7	177	0	0	0	113	N598 Y599	N598-L601 HydrophobicContact CB-CD1 3.85Å; N598-L601 HydrophobicContact CB-CG 4.11Å; N598-L601 WeakPolarHBondContact O-CB 3.45Å; N598-L601 PolarHBondContact O-N 3.39Å; Y599-L601 PolarHBondContact O-N 2.82Å
602	V	69.6	Low	57.4	Low	24 Å²	24	71.9 Å²	71.9	15%	0.145	38%	0.375	C	S	.	.			trans	-90.3	129.4	-173.1	-170.6	0	0	0	0	110.4	Q579 I581 Y599 I613	Q579-V602 WeakPolarHBondContact O-CG1 3.37Å; I581-V602 HydrophobicContact CG2-CG1 3.54Å; Y599-V602 WeakPolarHBondContact O-CB 3.32Å; Y599-V602 PolarHBondContact O-N 3.36Å; Y599-V602 VanDerWaalsContact O-N 3.15Å; V602-I613 HydrophobicContact CB-CD1 4.13Å; V602-I613 HydrophobicContact CG1-CD1 3.51Å; V602-I613 PolarHBondContact O-N 2.87Å
603	Y	76.7	Confident	59.9	Low	12 Å²	12	69.6 Å²	69.6	5%	0.047	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	158.6	-174.2	63.2	-98.1	0	0	0	113.1	I573 L575 G578 C580 I581 Y610 Y611	I573-Y603 HydrophobicContact CG2-CD1 3.4Å; I573-Y603 HydrophobicContact CG2-CD2 4.41Å; I573-Y603 HydrophobicContact CG2-CE1 3.81Å; I573-Y603 HydrophobicContact CG2-CG 3.73Å; L575-Y603 HydrophobicContact CD2-CE2 4.12Å; G578-Y603 WeakPolarHBondContact O-CE1 3.24Å; C580-Y603 HydrophobicContact CB-CD2 4.06Å; C580-Y603 HydrophobicContact CB-CE2 3.38Å; I581-Y603 PolarHBondContact N-O 3.4Å; Y603-Y610 AromaticContact CD2-CD1 3.73Å; Y603-Y610 HydrophobicContact CD2-CD1 3.73Å; Y603-Y610 HydrophobicContact CD2-CE1 4.28Å; Y603-Y610 AromaticContact CE2-CD1 3.7Å; Y603-Y610 HydrophobicContact CE2-CD1 3.7Å; Y603-Y610 AromaticContact CE2-CE1 3.8Å; Y603-Y610 HydrophobicContact CE2-CE1 3.8Å; Y603-Y611 CarbonylContact C-O 3.59Å; Y603-Y611 VanDerWaalsContact CA-O 3.24Å; Y603-Y611 WeakPolarHBondContact CA-O 3.5Å; Y603-Y611 WeakPolarHBondContact CB-O 3.48Å
604	I	73.5	Confident	62.5	Low	20 Å²	20	62.6 Å²	62.6	10%	0.103	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	144	170.5	50.1	178.6	0	0	0	109.8	I581 L606 Y610 Y611 I613 A616	I581-I604 HydrophobicContact CD1-CG2 3.55Å; I581-I604 HydrophobicContact CG1-CG2 3.46Å; I581-I604 VanDerWaalsContact CG1-CG2 3.46Å; I604-L606 HydrophobicContact CD1-CD1 3.7Å; I604-L606 HydrophobicContact CD1-CG 4.3Å; I604-Y610 CarbonylContact O-C 3.55Å; I604-Y610 WeakPolarHBondContact O-CA 3.46Å; I604-Y611 HydrophobicContact CG1-CD2 4.3Å; I604-Y611 WeakPolarHBondContact CG1-O 3.32Å; I604-Y611 PolarHBondContact N-O 2.78Å; I604-Y611 PolarHBondContact O-N 3.24Å; I604-I613 HydrophobicContact CG2-CD1 4.32Å; I604-I613 HydrophobicContact CG2-CG1 3.93Å; I604-A616 HydrophobicContact CD1-CB 3.63Å; I604-A616 HydrophobicContact CG1-CB 4.49Å
605	N	75	Confident	65.4	Low	47 Å²	47	53.4 Å²	53.4	25%	0.251	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	121.7	163.3	-175.9	-15.1	0	0	0	108.2	N582 G608 R609 Y610	N582-N605 PolarHBondContact ND2-O 3.11Å; N605-G608 WeakPolarHBondContact OD1-CA 3.28Å; N605-G608 PolarHBondContact OD1-N 2.85Å; N605-R609 WeakPolarHBondContact CA-O 3.49Å; N605-R609 PolarHBondContact OD1-N 3.36Å; N605-Y610 HydrophobicContact CB-CD1 4.29Å; N605-Y610 HydrophobicContact CB-CE1 4.13Å; N605-Y610 PolarHBondContact ND2-OH 3.36Å
606	L	63.6	Low	68	Low	65 Å²	65	45.5 Å²	45.5	34%	0.34	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	124.8	176.6	-68.2	175.6	0	0	0	109	I604 G608 R609 Y611 L627	I604-L606 HydrophobicContact CD1-CD1 3.7Å; I604-L606 HydrophobicContact CD1-CG 4.3Å; L606-G608 VanDerWaalsContact C-N 3.25Å; L606-G608 PolarHBondContact O-N 2.82Å; L606-R609 PolarHBondContact N-O 2.62Å; L606-R609 PolarHBondContact O-N 3.15Å; L606-Y611 HydrophobicContact CB-CE2 4.2Å; L606-L627 HydrophobicContact CD1-CD1 3.57Å
607	A	60.9	Low	70.3	Confident	52 Å²	52	41.2 Å²	41.2	43%	0.43	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	42.5	-176.6	0	0	0	0	0	113.6	R609	A607-R609 PolarHBondContact O-N 3.27Å
608	G	64.2	Low	72.4	Confident	48 Å²	48	37.4 Å²	37.4	50%	0.495	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	3.9	-178.8	0	0	0	0	0	115.2	N605 L606	N605-G608 WeakPolarHBondContact OD1-CA 3.28Å; N605-G608 PolarHBondContact OD1-N 2.85Å; L606-G608 VanDerWaalsContact C-N 3.25Å; L606-G608 PolarHBondContact O-N 2.82Å
609	R	69.1	Low	74.1	Confident	58 Å²	58	35.1 Å²	35.1	22%	0.219	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	138	178.1	-69.3	177.2	172.1	-99.8	6.8	110.8	N605 L606 A607 Y611 A629 L630	N605-R609 WeakPolarHBondContact CA-O 3.49Å; N605-R609 PolarHBondContact OD1-N 3.36Å; L606-R609 PolarHBondContact N-O 2.62Å; L606-R609 PolarHBondContact O-N 3.15Å; A607-R609 PolarHBondContact O-N 3.27Å; R609-Y611 HydrophobicContact CB-CE2 3.62Å; R609-Y611 WeakPolarHBondContact CB-OH 3.47Å; R609-Y611 WeakPolarHBondContact CD-OH 3.2Å; R609-Y611 WeakPolarHBondContact O-CD2 3.34Å; R609-Y611 VanDerWaalsContact O-CE2 3.31Å; R609-Y611 WeakPolarHBondContact O-CE2 3.43Å; R609-A629 PolarHBondContact NH1-O 3.37Å; R609-A629 VanDerWaalsContact NH1-O 3.17Å; R609-A629 PolarHBondContact NH2-O 2.88Å; R609-L630 PolarHBondContact NH1-O 3.1Å
610	Y	80.6	Confident	75.5	Confident	56 Å²	56	34.9 Å²	34.9	22%	0.22	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	143.3	179.3	-64.6	-100.2	0	0	0	110.7	S564 C566 G567 L575 Y603 I604 N605	S564-Y610 WeakPolarHBondContact OG-CD2 3.11Å; S564-Y610 WeakPolarHBondContact OG-CE2 3.48Å; C566-Y610 CarbonylContact C-O 3.57Å; C566-Y610 VanDerWaalsContact CA-O 3.31Å; C566-Y610 WeakPolarHBondContact CA-O 3.49Å; G567-Y610 PolarHBondContact N-O 2.72Å; L575-Y610 HydrophobicContact CD2-CD1 3.81Å; L575-Y610 HydrophobicContact CD2-CE1 3.49Å; L575-Y610 VanDerWaalsContact CD2-CE1 3.49Å; Y603-Y610 AromaticContact CD2-CD1 3.73Å; Y603-Y610 HydrophobicContact CD2-CD1 3.73Å; Y603-Y610 HydrophobicContact CD2-CE1 4.28Å; Y603-Y610 AromaticContact CE2-CD1 3.7Å; Y603-Y610 HydrophobicContact CE2-CD1 3.7Å; Y603-Y610 AromaticContact CE2-CE1 3.8Å; Y603-Y610 HydrophobicContact CE2-CE1 3.8Å; I604-Y610 CarbonylContact O-C 3.55Å; I604-Y610 WeakPolarHBondContact O-CA 3.46Å; N605-Y610 HydrophobicContact CB-CD1 4.29Å; N605-Y610 HydrophobicContact CB-CE1 4.13Å; N605-Y610 PolarHBondContact ND2-OH 3.36Å
611	Y	81.3	Confident	76.7	Confident	10 Å²	10	39.6 Å²	39.6	4%	0.039	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	135.8	174.8	-48.4	-99.7	0	0	0	110.5	V568 Y603 I604 L606 R609 I613 A616 L627	V568-Y611 HydrophobicContact CG2-CD1 3.96Å; V568-Y611 HydrophobicContact CG2-CE1 4.34Å; Y603-Y611 CarbonylContact C-O 3.59Å; Y603-Y611 VanDerWaalsContact CA-O 3.24Å; Y603-Y611 WeakPolarHBondContact CA-O 3.5Å; Y603-Y611 WeakPolarHBondContact CB-O 3.48Å; I604-Y611 HydrophobicContact CG1-CD2 4.3Å; I604-Y611 WeakPolarHBondContact CG1-O 3.32Å; I604-Y611 PolarHBondContact N-O 2.78Å; I604-Y611 PolarHBondContact O-N 3.24Å; L606-Y611 HydrophobicContact CB-CE2 4.2Å; R609-Y611 HydrophobicContact CB-CE2 3.62Å; R609-Y611 WeakPolarHBondContact CB-OH 3.47Å; R609-Y611 WeakPolarHBondContact CD-OH 3.2Å; R609-Y611 WeakPolarHBondContact O-CD2 3.34Å; R609-Y611 VanDerWaalsContact O-CE2 3.31Å; R609-Y611 WeakPolarHBondContact O-CE2 3.43Å; Y611-I613 PolarHBondContact O-N 2.77Å; Y611-A616 HydrophobicContact CG-CB 4.48Å; Y611-L627 HydrophobicContact CD2-CD1 4.23Å; Y611-L627 HydrophobicContact CE1-CB 4.18Å; Y611-L627 HydrophobicContact CE1-CD1 4.36Å; Y611-L627 HydrophobicContact CE2-CD1 4.02Å
612	H	83.9	Confident	77.7	Confident	16 Å²	16	40.1 Å²	40.1	7%	0.074	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	131.1	159.7	-60.2	106.8	0	0	0	108.6	C566 C569 P614 C615 A616	C566-H612 WeakPolarHBondContact CB-ND1 3.47Å; C569-H612 PolarHBondContact SG-ND1 2.97Å; H612-P614 VanDerWaalsContact C-CD 3.47Å; H612-P614 VanDerWaalsContact C-N 3.33Å; H612-C615 HydrophobicContact CB-CB 4.14Å; H612-C615 PolarHBondContact O-N 3.21Å; H612-A616 PolarHBondContact O-N 3.03Å; H612-A616 VanDerWaalsContact O-N 3.09Å
613	I	83.2	Confident	78.3	Confident	39 Å²	39	40.2 Å²	40.2	20%	0.2	21%	0.213	C	C	.	.	H	α-helix	trans	-51.5	-45.5	179.3	-70.3	175.7	0	0	0	112.6	I581 V602 I604 Y611 C615 A616 N617	I581-I613 HydrophobicContact CD1-CD1 3.69Å; I581-I613 HydrophobicContact CG1-CD1 4.12Å; I581-I613 HydrophobicContact CG2-CD1 4.3Å; V602-I613 HydrophobicContact CB-CD1 4.13Å; V602-I613 HydrophobicContact CG1-CD1 3.51Å; V602-I613 PolarHBondContact O-N 2.87Å; I604-I613 HydrophobicContact CG2-CD1 4.32Å; I604-I613 HydrophobicContact CG2-CG1 3.93Å; Y611-I613 PolarHBondContact O-N 2.77Å; I613-C615 VanDerWaalsContact C-N 3.31Å; I613-C615 PolarHBondContact O-N 2.83Å; I613-A616 PolarHBondContact O-N 2.84Å; I613-N617 WeakPolarHBondContact CG2-ND2 3.39Å; I613-N617 VanDerWaalsContact O-CB 3.27Å; I613-N617 WeakPolarHBondContact O-CB 3.44Å; I613-N617 VanDerWaalsContact O-CG 3.25Å; I613-N617 PolarHBondContact O-N 2.73Å
614	P	84.3	Confident	78.2	Confident	17 Å²	17	41.8 Å²	41.8	11%	0.11	22%	0.223	C	C	.	.	H	α-helix	trans	-56.3	-41.1	175.7	-26.6	33.8	0	0	0	114.1	E489 H612 F618	E489-P614 HydrophobicContact CB-CB 4.24Å; E489-P614 HydrophobicContact CB-CG 4.4Å; E489-P614 HydrophobicContact CG-CB 4.48Å; E489-P614 HydrophobicContact CG-CG 4.11Å; E489-P614 WeakPolarHBondContact OE1-CG 3.31Å; E489-P614 WeakPolarHBondContact OE2-CB 3.43Å; E489-P614 WeakPolarHBondContact OE2-CG 3.18Å; H612-P614 VanDerWaalsContact C-CD 3.47Å; H612-P614 VanDerWaalsContact C-N 3.33Å; P614-F618 WeakPolarHBondContact O-CB 3.49Å; P614-F618 PolarHBondContact O-N 3.47Å
615	C	87.2	Confident	78.1	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-71.1	-41.9	-177.1	-60.1	0	0	0	0	111.3	M493 V568 H612 I613 W619	M493-C615 HydrophobicContact CG-CB 4.33Å; M493-C615 HydrophobicContact SD-CB 4.37Å; V568-C615 HydrophobicContact CB-CB 3.88Å; V568-C615 HydrophobicContact CG1-CB 3.89Å; V568-C615 HydrophobicContact CG2-CB 4.47Å; H612-C615 HydrophobicContact CB-CB 4.14Å; H612-C615 PolarHBondContact O-N 3.21Å; I613-C615 VanDerWaalsContact C-N 3.31Å; I613-C615 PolarHBondContact O-N 2.83Å; C615-W619 WeakPolarHBondContact O-CB 3.19Å; C615-W619 PolarHBondContact O-N 3.1Å
616	A	84.8	Confident	78	Confident	3 Å²	3	45 Å²	45	3%	0.025	25%	0.248	C	C	.	.	H	α-helix	trans	-65.2	-46.6	174.2	0	0	0	0	0	111.8	I604 Y611 H612 I613 F618 W619 M620 L627	I604-A616 HydrophobicContact CD1-CB 3.63Å; I604-A616 HydrophobicContact CG1-CB 4.49Å; Y611-A616 HydrophobicContact CG-CB 4.48Å; H612-A616 PolarHBondContact O-N 3.03Å; H612-A616 VanDerWaalsContact O-N 3.09Å; I613-A616 PolarHBondContact O-N 2.84Å; A616-F618 PolarHBondContact O-N 3.19Å; A616-W619 PolarHBondContact O-N 3.1Å; A616-M620 WeakPolarHBondContact O-CB 3.25Å; A616-M620 WeakPolarHBondContact O-CG 3.11Å; A616-M620 PolarHBondContact O-N 3.42Å; A616-L627 HydrophobicContact CB-CD1 4.35Å; A616-L627 HydrophobicContact CB-CD2 3.71Å
617	N	81.8	Confident	78.6	Confident	71 Å²	71	43.6 Å²	43.6	38%	0.38	24%	0.24	S	C	.	.	H	α-helix	trans	-60.7	-45.7	179.9	-78.2	-4.6	0	0	0	112	I613 N621	I613-N617 WeakPolarHBondContact CG2-ND2 3.39Å; I613-N617 VanDerWaalsContact O-CB 3.27Å; I613-N617 WeakPolarHBondContact O-CB 3.44Å; I613-N617 VanDerWaalsContact O-CG 3.25Å; I613-N617 PolarHBondContact O-N 2.73Å; N617-N621 WeakPolarHBondContact O-CB 3.34Å; N617-N621 PolarHBondContact O-N 3.22Å; N617-N621 PolarHBondContact O-ND2 3.19Å
618	F	85.7	Confident	79.5	Confident	12 Å²	12	41.6 Å²	41.6	5%	0.053	22%	0.223	C	C	.	.	H	α-helix	trans	-64.2	-47.8	178.5	-172.4	-89	0	0	0	111.4	D450 C451 V454 I490 M493 P614 A616 M620 N621 R622 I623	D450-F618 HydrophobicContact CB-CZ 4.45Å; C451-F618 HydrophobicContact CB-CZ 4.22Å; C451-F618 WeakPolarHBondContact SG-CE1 3.46Å; C451-F618 WeakPolarHBondContact SG-CZ 3.33Å; V454-F618 HydrophobicContact CG2-CE2 4.27Å; I490-F618 HydrophobicContact CD1-CD2 4.04Å; I490-F618 HydrophobicContact CD1-CE2 4.14Å; I490-F618 HydrophobicContact CG1-CD2 3.93Å; I490-F618 HydrophobicContact CG1-CE2 4.37Å; I490-F618 HydrophobicContact CG2-CD2 4.01Å; I490-F618 HydrophobicContact CG2-CE2 3.87Å; M493-F618 HydrophobicContact CE-CB 3.95Å; M493-F618 HydrophobicContact CE-CD1 3.52Å; M493-F618 HydrophobicContact CE-CD2 4.21Å; M493-F618 HydrophobicContact CE-CE1 4.05Å; M493-F618 HydrophobicContact CE-CG 3.61Å; M493-F618 HydrophobicContact SD-CB 3.66Å; M493-F618 HydrophobicContact SD-CD1 4.12Å; M493-F618 HydrophobicContact SD-CG 4.02Å; P614-F618 WeakPolarHBondContact O-CB 3.49Å; P614-F618 PolarHBondContact O-N 3.47Å; A616-F618 PolarHBondContact O-N 3.19Å; F618-M620 PolarHBondContact O-N 3.1Å; F618-N621 PolarHBondContact O-N 2.92Å; F618-R622 HydrophobicContact CD1-CB 4.24Å; F618-R622 HydrophobicContact CD2-CG 4.13Å; F618-R622 HydrophobicContact CE1-CB 3.85Å; F618-R622 HydrophobicContact CE1-CG 4.21Å; F618-R622 HydrophobicContact CE2-CB 4.36Å; F618-R622 HydrophobicContact CE2-CG 3.81Å; F618-R622 HydrophobicContact CG-CG 4.47Å; F618-R622 HydrophobicContact CZ-CB 3.9Å; F618-R622 HydrophobicContact CZ-CG 3.83Å; F618-R622 WeakPolarHBondContact O-CB 3.29Å; F618-R622 PolarHBondContact O-N 3.34Å; F618-I623 HydrophobicContact CD1-CG1 4.3Å; F618-I623 HydrophobicContact CE1-CD1 4Å; F618-I623 HydrophobicContact CE1-CG1 4.08Å
619	W	83.6	Confident	80.2	Confident	10 Å²	10	40.6 Å²	40.6	4%	0.038	21%	0.21	C	C	.	.	H	α-helix	trans	-58.4	-52.2	-177.8	-171.5	-79.4	0	0	0	112.3	Q443 C447 V568 C615 A616 N621 R622 I623 N624 C626 L627 P628	Q443-W619 HydrophobicContact CB-CH2 4.25Å; C447-W619 HydrophobicContact CB-CE3 4.39Å; C447-W619 HydrophobicContact CB-CZ3 4Å; V568-W619 HydrophobicContact CG1-CE3 4.03Å; V568-W619 HydrophobicContact CG2-CB 4.22Å; V568-W619 HydrophobicContact CG2-CG 4.41Å; C615-W619 WeakPolarHBondContact O-CB 3.19Å; C615-W619 PolarHBondContact O-N 3.1Å; A616-W619 PolarHBondContact O-N 3.1Å; W619-N621 VanDerWaalsContact C-N 3.28Å; W619-N621 PolarHBondContact O-N 3.47Å; W619-R622 PolarHBondContact O-N 3.42Å; W619-I623 HydrophobicContact CD2-CB 3.93Å; W619-I623 HydrophobicContact CD2-CG1 4.4Å; W619-I623 HydrophobicContact CD2-CG2 4.04Å; W619-I623 HydrophobicContact CE3-CB 4.18Å; W619-I623 HydrophobicContact CE3-CG1 4.24Å; W619-I623 HydrophobicContact CE3-CG2 4.09Å; W619-I623 HydrophobicContact CG-CB 4.26Å; W619-I623 HydrophobicContact CH2-CG2 3.79Å; W619-I623 HydrophobicContact CZ2-CB 4.47Å; W619-I623 HydrophobicContact CZ2-CG2 3.71Å; W619-I623 HydrophobicContact CZ3-CG2 3.99Å; W619-I623 PolarHBondContact O-N 2.94Å; W619-N624 PolarHBondContact O-N 3.43Å; W619-N624 VanDerWaalsContact O-N 3.08Å; W619-C626 PolarHBondContact NE1-O 3.05Å; W619-L627 HydrophobicContact CB-CD2 4.47Å; W619-P628 HydrophobicContact CD2-CB 4.32Å; W619-P628 HydrophobicContact CD2-CG 3.65Å; W619-P628 HydrophobicContact CE3-CG 3.99Å; W619-P628 HydrophobicContact CG-CG 4.16Å; W619-P628 HydrophobicContact CH2-CB 4.02Å; W619-P628 HydrophobicContact CH2-CG 4.12Å; W619-P628 HydrophobicContact CZ2-CB 3.53Å; W619-P628 HydrophobicContact CZ2-CG 3.79Å; W619-P628 HydrophobicContact CZ3-CG 4.2Å
620	M	81.3	Confident	80.9	Confident	79 Å²	79	38.4 Å²	38.4	39%	0.389	20%	0.203	S	C	.	.	H	α-helix	trans	-58.3	-36.7	179.4	-70.4	-91.8	-75	0	0	113	A616 F618 N624 P625 L627	A616-M620 WeakPolarHBondContact O-CB 3.25Å; A616-M620 WeakPolarHBondContact O-CG 3.11Å; A616-M620 PolarHBondContact O-N 3.42Å; F618-M620 PolarHBondContact O-N 3.1Å; M620-N624 WeakPolarHBondContact CA-O 3.48Å; M620-P625 VanDerWaalsContact SD-O 3.36Å; M620-L627 HydrophobicContact CG-CD2 3.59Å; M620-L627 HydrophobicContact CG-CG 3.92Å; M620-L627 HydrophobicContact SD-CD2 4.21Å; M620-L627 HydrophobicContact SD-CG 3.84Å
621	N	78.8	Confident	80.7	Confident	106 Å²	106	43.1 Å²	43.1	57%	0.567	23%	0.225	S	C	*	.	H	α-helix	trans	-91.4	-13.4	-174.9	-76.4	-77.2	0	0	0	114.6	N617 F618 W619	N617-N621 WeakPolarHBondContact O-CB 3.34Å; N617-N621 PolarHBondContact O-N 3.22Å; N617-N621 PolarHBondContact O-ND2 3.19Å; F618-N621 PolarHBondContact O-N 2.92Å; W619-N621 VanDerWaalsContact C-N 3.28Å; W619-N621 PolarHBondContact O-N 3.47Å
622	R	82.8	Confident	80.4	Confident	98 Å²	98	44.4 Å²	44.4	37%	0.37	23%	0.232	S	C	.	.	H	α-helix	trans	-132.5	-34.4	-171.2	-61.8	-64.5	177.9	167	0.1	115.4	F618 W619	F618-R622 HydrophobicContact CD1-CB 4.24Å; F618-R622 HydrophobicContact CD2-CG 4.13Å; F618-R622 HydrophobicContact CE1-CB 3.85Å; F618-R622 HydrophobicContact CE1-CG 4.21Å; F618-R622 HydrophobicContact CE2-CB 4.36Å; F618-R622 HydrophobicContact CE2-CG 3.81Å; F618-R622 HydrophobicContact CG-CG 4.47Å; F618-R622 HydrophobicContact CZ-CB 3.9Å; F618-R622 HydrophobicContact CZ-CG 3.83Å; F618-R622 WeakPolarHBondContact O-CB 3.29Å; F618-R622 PolarHBondContact O-N 3.34Å; W619-R622 PolarHBondContact O-N 3.42Å
623	I	81.3	Confident	79.7	Confident	26 Å²	26	46.3 Å²	46.3	13%	0.133	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-62.7	-168.8	-51.7	-53.1	0	0	0	110.7	C447 D450 F618 W619	C447-I623 HydrophobicContact CB-CD1 4.44Å; C447-I623 HydrophobicContact CB-CG1 4.33Å; D450-I623 HydrophobicContact CB-CD1 3.73Å; F618-I623 HydrophobicContact CD1-CG1 4.3Å; F618-I623 HydrophobicContact CE1-CD1 4Å; F618-I623 HydrophobicContact CE1-CG1 4.08Å; W619-I623 HydrophobicContact CD2-CB 3.93Å; W619-I623 HydrophobicContact CD2-CG1 4.4Å; W619-I623 HydrophobicContact CD2-CG2 4.04Å; W619-I623 HydrophobicContact CE3-CB 4.18Å; W619-I623 HydrophobicContact CE3-CG1 4.24Å; W619-I623 HydrophobicContact CE3-CG2 4.09Å; W619-I623 HydrophobicContact CG-CB 4.26Å; W619-I623 HydrophobicContact CH2-CG2 3.79Å; W619-I623 HydrophobicContact CZ2-CB 4.47Å; W619-I623 HydrophobicContact CZ2-CG2 3.71Å; W619-I623 HydrophobicContact CZ3-CG2 3.99Å; W619-I623 PolarHBondContact O-N 2.94Å
624	N	74.1	Confident	78.5	Confident	45 Å²	45	55.4 Å²	55.4	24%	0.241	29%	0.293	C	S	.	.			trans	-147.2	133.2	178.8	-167.8	-48.5	0	0	0	110	W619 M620 C626	W619-N624 PolarHBondContact O-N 3.43Å; W619-N624 VanDerWaalsContact O-N 3.08Å; M620-N624 WeakPolarHBondContact CA-O 3.48Å; N624-C626 PolarHBondContact O-N 3.03Å; N624-C626 PolarHBondContact OD1-N 2.97Å
625	P	73.2	Confident	78.2	Confident	75 Å²	75	57.4 Å²	57.4	49%	0.487	30%	0.303	S	S	.	.	S	Bend	trans	-59.3	-10.3	174.7	21.8	-32.7	0	0	0	115	Y34 M620	Y34-P625 WeakPolarHBondContact OH-CB 3.48Å; Y34-P625 PolarHBondContact OH-O 3.39Å; M620-P625 VanDerWaalsContact SD-O 3.36Å
626	C	72.9	Confident	77.7	Confident	59 Å²	59	60.4 Å²	60.4	40%	0.399	32%	0.318	S	S	.	.	S	Bend	trans	-105.6	131.7	167.6	-64.2	0	0	0	0	110.7	W619 N624	W619-C626 PolarHBondContact NE1-O 3.05Å; N624-C626 PolarHBondContact O-N 3.03Å; N624-C626 PolarHBondContact OD1-N 2.97Å
627	L	74.5	Confident	77.4	Confident	35 Å²	35	63.6 Å²	63.6	18%	0.183	34%	0.335	C	S	.	.			trans	-59.7	144.5	170.4	-73	174.7	0	0	0	111.2	L606 Y611 A616 W619 M620	L606-L627 HydrophobicContact CD1-CD1 3.57Å; Y611-L627 HydrophobicContact CD2-CD1 4.23Å; Y611-L627 HydrophobicContact CE1-CB 4.18Å; Y611-L627 HydrophobicContact CE1-CD1 4.36Å; Y611-L627 HydrophobicContact CE2-CD1 4.02Å; A616-L627 HydrophobicContact CB-CD1 4.35Å; A616-L627 HydrophobicContact CB-CD2 3.71Å; W619-L627 HydrophobicContact CB-CD2 4.47Å; M620-L627 HydrophobicContact CG-CD2 3.59Å; M620-L627 HydrophobicContact CG-CG 3.92Å; M620-L627 HydrophobicContact SD-CD2 4.21Å; M620-L627 HydrophobicContact SD-CG 3.84Å
628	P	81.2	Confident	77.1	Confident	10 Å²	10	63.1 Å²	63.1	7%	0.065	33%	0.332	C	S	.	.			trans	-87.9	147.7	-173.1	37.2	-32.7	0	0	0	111.1	V568 W619 L630	V568-P628 HydrophobicContact CB-CG 4.37Å; V568-P628 HydrophobicContact CG2-CG 3.52Å; W619-P628 HydrophobicContact CD2-CB 4.32Å; W619-P628 HydrophobicContact CD2-CG 3.65Å; W619-P628 HydrophobicContact CE3-CG 3.99Å; W619-P628 HydrophobicContact CG-CG 4.16Å; W619-P628 HydrophobicContact CH2-CB 4.02Å; W619-P628 HydrophobicContact CH2-CG 4.12Å; W619-P628 HydrophobicContact CZ2-CB 3.53Å; W619-P628 HydrophobicContact CZ2-CG 3.79Å; W619-P628 HydrophobicContact CZ3-CG 4.2Å; P628-L630 VanDerWaalsContact C-N 3.29Å; P628-L630 HydrophobicContact CB-CD2 4.13Å; P628-L630 HydrophobicContact CB-CG 3.94Å; P628-L630 HydrophobicContact CG-CD1 4.45Å; P628-L630 HydrophobicContact CG-CG 4.14Å; P628-L630 PolarHBondContact O-N 2.83Å
629	A	78.4	Confident	76.5	Confident	27 Å²	27	66.3 Å²	66.3	22%	0.223	35%	0.35	C	S	.	.			trans	-94.6	33.4	-177.5	0	0	0	0	0	112.2	R609	R609-A629 PolarHBondContact NH1-O 3.37Å; R609-A629 VanDerWaalsContact NH1-O 3.17Å; R609-A629 PolarHBondContact NH2-O 2.88Å
630	L	82.9	Confident	76.1	Confident	13 Å²	13	70.1 Å²	70.1	7%	0.068	37%	0.37	C	S	.	.			trans	-54.2	151.6	-167.5	-56.6	-178.7	0	0	0	112.3	L440 Q443 G567 V568 L570 R609 P628	L440-L630 HydrophobicContact CD1-CB 4.27Å; L440-L630 HydrophobicContact CD1-CD1 3.81Å; L440-L630 HydrophobicContact CD1-CD2 4Å; L440-L630 HydrophobicContact CD1-CG 4.25Å; Q443-L630 HydrophobicContact CB-CD2 4.4Å; Q443-L630 VanDerWaalsContact OE1-CD2 3.22Å; G567-L630 VanDerWaalsContact O-CB 3.28Å; G567-L630 WeakPolarHBondContact O-CB 3.25Å; G567-L630 VanDerWaalsContact O-CG 3.3Å; G567-L630 WeakPolarHBondContact O-CG 2.98Å; V568-L630 WeakPolarHBondContact O-CD1 3.22Å; L570-L630 HydrophobicContact CD1-CB 4.36Å; L570-L630 HydrophobicContact CD2-CB 4Å; L570-L630 HydrophobicContact CG-CB 4.31Å; R609-L630 PolarHBondContact NH1-O 3.1Å; P628-L630 VanDerWaalsContact C-N 3.29Å; P628-L630 HydrophobicContact CB-CD2 4.13Å; P628-L630 HydrophobicContact CB-CG 3.94Å; P628-L630 HydrophobicContact CG-CD1 4.45Å; P628-L630 HydrophobicContact CG-CG 4.14Å; P628-L630 PolarHBondContact O-N 2.83Å
631	K	76.4	Confident	75.7	Confident	155 Å²	155	69.4 Å²	69.4	67%	0.674	37%	0.369	S	S	*	.			trans	-125.7	142.6	-177.9	-62.4	178.3	-177.4	174.1	0	108.9	L570	L570-K631 WeakPolarHBondContact CD1-O 3.47Å
632	I	75.9	Confident	75.5	Confident	36 Å²	36	66.6 Å²	66.6	19%	0.185	35%	0.354	C	S	.	.			trans	-63.3	131	169.1	-63.7	171.5	0	0	0	108.3	Y504 F557 Y565 L570 L634	Y504-I632 HydrophobicContact CD1-CG2 3.71Å; Y504-I632 HydrophobicContact CE1-CB 4.5Å; Y504-I632 HydrophobicContact CE1-CG1 4.4Å; Y504-I632 HydrophobicContact CE1-CG2 3.42Å; Y504-I632 VanDerWaalsContact CE1-CG2 3.42Å; Y504-I632 HydrophobicContact CE2-CG1 4.27Å; Y504-I632 HydrophobicContact CE2-CG2 4.37Å; Y504-I632 HydrophobicContact CG-CG2 4.31Å; F557-I632 HydrophobicContact CE1-CD1 4.33Å; F557-I632 HydrophobicContact CZ-CD1 3.91Å; F557-I632 HydrophobicContact CZ-CG2 4.37Å; Y565-I632 HydrophobicContact CD1-CD1 3.89Å; Y565-I632 HydrophobicContact CD2-CD1 3.95Å; Y565-I632 HydrophobicContact CE1-CD1 4.05Å; Y565-I632 HydrophobicContact CE2-CD1 4.11Å; Y565-I632 HydrophobicContact CG-CD1 3.83Å; L570-I632 HydrophobicContact CB-CG1 4.49Å; L570-I632 HydrophobicContact CD1-CG1 4.46Å; L570-I632 HydrophobicContact CD2-CG1 4.27Å; I632-L634 PolarHBondContact O-N 3.19Å
633	P	68.9	Low	74.9	Confident	56 Å²	56	64 Å²	64	36%	0.364	35%	0.353	S	S	.	.			trans	-61.3	131	167.1	-20.5	33.4	0	0	0	110.3	L440 V506	L440-P633 HydrophobicContact CD2-CG 3.57Å; V506-P633 HydrophobicContact CG2-CG 3.86Å
634	L	58.6	Low	74.3	Confident	231 Å²	231	67.5 Å²	67.5	100%	1.209	37%	0.372	S	S	*	.			trans	-101.9	0	176.1	-64.5	175.3	0	0	0	110.5	I632	I632-L634 PolarHBondContact O-N 3.19Å

Retrieved 634 of 634 residues in 1012 ms (Link to these results)

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