A0A3Q0KKU1_SCHMA Loading...

thiol oxidase AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KKU1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 473 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	51.5	Low	54.3	Low	224 Å²	224	137.1 Å²	137.1	100%	1.103	68%	0.678	S	S	*	*				0	-35.6	0	-72.8	177	-169.2	0	0	113.8	R3 R4	M1-R3 PolarHBondContact O-N 2.9Å; M1-R4 PolarHBondContact O-N 2.98Å; M1-R4 VanDerWaalsContact O-N 3.12Å
2	I	53	Low	54.3	Low	160 Å²	160	131.5 Å²	131.5	82%	0.821	66%	0.658	S	S	*	*	H	α-helix	trans	-56.1	-37.5	-173.9	-62.5	165.6	0	0	0	114.5	R4 G5	I2-R4 PolarHBondContact O-N 3.17Å; I2-G5 PolarHBondContact O-N 3.45Å
3	R	52.7	Low	54.2	Low	235 Å²	235	129.9 Å²	129.9	89%	0.887	65%	0.652	S	S	*	*	H	α-helix	trans	-67.4	-27.3	178.3	-86.9	-175.1	172.5	-179.2	-2	115.1	M1	M1-R3 PolarHBondContact O-N 2.9Å
4	R	52.6	Low	53.9	Low	212 Å²	212	130.6 Å²	130.6	80%	0.8	65%	0.649	S	S	*	*	H	α-helix	trans	-77.9	-32.9	178.8	-78.4	-173.1	173.7	-178.8	-1.8	112.2	M1 I2 L7 L8	M1-R4 PolarHBondContact O-N 2.98Å; M1-R4 VanDerWaalsContact O-N 3.12Å; I2-R4 PolarHBondContact O-N 3.17Å; R4-L7 PolarHBondContact O-N 3.42Å; R4-L8 PolarHBondContact O-N 3.14Å
5	G	54	Low	53.6	Low	37 Å²	37	125.5 Å²	125.5	38%	0.381	64%	0.635	S	S	.	*	H	α-helix	trans	-67.1	-40.8	179	0	0	0	0	0	113.2	I2 L7 L8 L9	I2-G5 PolarHBondContact O-N 3.45Å; G5-L7 PolarHBondContact O-N 3.16Å; G5-L8 PolarHBondContact O-N 3.17Å; G5-L9 PolarHBondContact O-N 3.43Å; G5-L9 VanDerWaalsContact O-N 3.08Å
6	A	57	Low	53.1	Low	54 Å²	54	129.6 Å²	129.6	45%	0.446	64%	0.641	S	S	.	*	H	α-helix	trans	-64.6	-38.7	177.4	0	0	0	0	0	112.4	L9 F10	A6-L9 PolarHBondContact O-N 2.96Å; A6-F10 WeakPolarHBondContact O-CD2 3.36Å; A6-F10 PolarHBondContact O-N 3.12Å
7	L	52.4	Low	52.8	Low	127 Å²	127	125.9 Å²	125.9	67%	0.665	63%	0.63	S	S	*	*	H	α-helix	trans	-66.5	-41.7	178.7	-148.8	89.2	0	0	0	111.5	R4 G5 F10 V11	R4-L7 PolarHBondContact O-N 3.42Å; G5-L7 PolarHBondContact O-N 3.16Å; L7-F10 PolarHBondContact O-N 3.14Å; L7-V11 VanDerWaalsContact O-CG2 3.27Å; L7-V11 WeakPolarHBondContact O-CG2 3.48Å; L7-V11 PolarHBondContact O-N 3.24Å
8	L	54.5	Low	52.3	Low	117 Å²	117	124.3 Å²	124.3	61%	0.613	62%	0.624	S	S	*	*	H	α-helix	trans	-63.2	-42.8	176.1	-92.3	150.5	0	0	0	112	R4 G5 V11 T12	R4-L8 PolarHBondContact O-N 3.14Å; G5-L8 PolarHBondContact O-N 3.17Å; L8-V11 PolarHBondContact O-N 3.3Å; L8-T12 WeakPolarHBondContact O-CG2 3.2Å; L8-T12 PolarHBondContact O-N 2.89Å; L8-T12 PolarHBondContact O-OG1 2.88Å
9	L	56.1	Low	52	Low	109 Å²	109	120.4 Å²	120.4	57%	0.571	61%	0.613	S	S	*	*	H	α-helix	trans	-64	-40.2	175.2	-85	159.8	0	0	0	112.5	G5 A6 T12 L13	G5-L9 PolarHBondContact O-N 3.43Å; G5-L9 VanDerWaalsContact O-N 3.08Å; A6-L9 PolarHBondContact O-N 2.96Å; L9-T12 WeakPolarHBondContact CA-OG1 3.4Å; L9-T12 PolarHBondContact O-N 3.24Å; L9-T12 PolarHBondContact O-OG1 2.69Å; L9-T12 VanDerWaalsContact O-OG1 3.06Å; L9-L13 VanDerWaalsContact O-CB 3.28Å; L9-L13 WeakPolarHBondContact O-CB 3.45Å; L9-L13 WeakPolarHBondContact O-CD1 3.22Å; L9-L13 WeakPolarHBondContact O-CG 3.5Å; L9-L13 PolarHBondContact O-N 2.72Å
10	F	53.1	Low	51.6	Low	142 Å²	142	119.8 Å²	119.8	62%	0.623	61%	0.607	S	S	*	*	H	α-helix	trans	-64.9	-42.2	175.2	-100.9	-84.9	0	0	0	111.8	A6 L7 L13 F14	A6-F10 WeakPolarHBondContact O-CD2 3.36Å; A6-F10 PolarHBondContact O-N 3.12Å; L7-F10 PolarHBondContact O-N 3.14Å; F10-L13 PolarHBondContact O-N 3.49Å; F10-F14 WeakPolarHBondContact O-CB 3.43Å; F10-F14 PolarHBondContact O-N 3.3Å
11	V	60.2	Low	51.3	Low	91 Å²	91	119.9 Å²	119.9	55%	0.552	61%	0.605	S	S	*	*	H	α-helix	trans	-67	-39.6	178.1	173.8	0	0	0	0	111.2	L7 L8 F14 A15	L7-V11 VanDerWaalsContact O-CG2 3.27Å; L7-V11 WeakPolarHBondContact O-CG2 3.48Å; L7-V11 PolarHBondContact O-N 3.24Å; L8-V11 PolarHBondContact O-N 3.3Å; V11-F14 PolarHBondContact O-N 3Å; V11-A15 VanDerWaalsContact O-CB 3.24Å; V11-A15 WeakPolarHBondContact O-CB 3.46Å; V11-A15 PolarHBondContact O-N 3.06Å
12	T	55	Low	51.1	Low	70 Å²	70	113.1 Å²	113.1	43%	0.429	58%	0.58	S	S	.	*	H	α-helix	trans	-70.7	-39.2	176.6	55.2	0	0	0	0	112.2	L8 L9 A15 W16	L8-T12 WeakPolarHBondContact O-CG2 3.2Å; L8-T12 PolarHBondContact O-N 2.89Å; L8-T12 PolarHBondContact O-OG1 2.88Å; L9-T12 WeakPolarHBondContact CA-OG1 3.4Å; L9-T12 PolarHBondContact O-N 3.24Å; L9-T12 PolarHBondContact O-OG1 2.69Å; L9-T12 VanDerWaalsContact O-OG1 3.06Å; T12-A15 PolarHBondContact O-N 2.96Å; T12-W16 WeakPolarHBondContact O-CB 3.2Å; T12-W16 PolarHBondContact O-N 3.05Å
13	L	52.6	Low	50.7	Low	111 Å²	111	113.9 Å²	113.9	58%	0.581	58%	0.577	S	S	*	*	H	α-helix	trans	-64	-39.8	172.6	-80.8	161.2	0	0	0	111.7	L9 F10 S17	L9-L13 VanDerWaalsContact O-CB 3.28Å; L9-L13 WeakPolarHBondContact O-CB 3.45Å; L9-L13 WeakPolarHBondContact O-CD1 3.22Å; L9-L13 WeakPolarHBondContact O-CG 3.5Å; L9-L13 PolarHBondContact O-N 2.72Å; F10-L13 PolarHBondContact O-N 3.49Å; L13-S17 VanDerWaalsContact O-CB 3.26Å; L13-S17 WeakPolarHBondContact O-CB 3.15Å; L13-S17 PolarHBondContact O-N 2.93Å
14	F	49.6	Very low	50.4	Low	140 Å²	140	105.5 Å²	105.5	61%	0.614	55%	0.548	S	S	*	.	H	α-helix	trans	-66.6	-44.2	174	-118.9	-95.2	0	0	0	111.5	F10 V11 S17 L18	F10-F14 WeakPolarHBondContact O-CB 3.43Å; F10-F14 PolarHBondContact O-N 3.3Å; V11-F14 PolarHBondContact O-N 3Å; F14-S17 PolarHBondContact O-N 3.27Å; F14-L18 HydrophobicContact CD1-CD1 3.68Å; F14-L18 HydrophobicContact CE1-CD1 4.33Å; F14-L18 WeakPolarHBondContact O-CB 3.46Å; F14-L18 VanDerWaalsContact O-CD1 3.31Å; F14-L18 WeakPolarHBondContact O-CD1 3.39Å; F14-L18 PolarHBondContact O-N 2.84Å
15	A	49.4	Very low	50	Low	53 Å²	53	101 Å²	101	44%	0.438	53%	0.531	S	S	.	.	H	α-helix	trans	-65.5	-38.5	178.1	0	0	0	0	0	111.9	V11 T12 A19	V11-A15 VanDerWaalsContact O-CB 3.24Å; V11-A15 WeakPolarHBondContact O-CB 3.46Å; V11-A15 PolarHBondContact O-N 3.06Å; T12-A15 PolarHBondContact O-N 2.96Å; A15-A19 WeakPolarHBondContact O-CB 3.47Å; A15-A19 PolarHBondContact O-N 3.41Å
16	W	45.7	Very low	49.4	Very low	192 Å²	192	100.3 Å²	100.3	73%	0.727	52%	0.524	S	S	*	.	H	α-helix	trans	-65.9	-44	171	-89.5	24	0	0	0	111.5	T12 L18 A19 Q20	T12-W16 WeakPolarHBondContact O-CB 3.2Å; T12-W16 PolarHBondContact O-N 3.05Å; W16-L18 VanDerWaalsContact C-N 3.34Å; W16-L18 PolarHBondContact O-N 2.83Å; W16-A19 PolarHBondContact O-N 3.29Å; W16-Q20 WeakPolarHBondContact O-CB 3.47Å; W16-Q20 PolarHBondContact O-N 3.19Å
17	S	47.5	Very low	49.1	Very low	66 Å²	66	103.5 Å²	103.5	46%	0.462	53%	0.525	S	S	.	.	H	α-helix	trans	-59.6	-43.3	175	-174.6	0	0	0	0	111.9	L13 F14 Q20 Q21	L13-S17 VanDerWaalsContact O-CB 3.26Å; L13-S17 WeakPolarHBondContact O-CB 3.15Å; L13-S17 PolarHBondContact O-N 2.93Å; F14-S17 PolarHBondContact O-N 3.27Å; S17-Q20 PolarHBondContact O-N 3.21Å; S17-Q21 VanDerWaalsContact O-CB 3.3Å; S17-Q21 WeakPolarHBondContact O-CB 3.34Å; S17-Q21 PolarHBondContact O-N 3.49Å
18	L	44.2	Very low	49.3	Very low	98 Å²	98	98.4 Å²	98.4	51%	0.513	50%	0.5	S	S	.	.	H	α-helix	trans	-67.6	-41.8	175.3	-96.8	112.9	0	0	0	112.6	F14 W16 Q20 Q21 S22	F14-L18 HydrophobicContact CD1-CD1 3.68Å; F14-L18 HydrophobicContact CE1-CD1 4.33Å; F14-L18 WeakPolarHBondContact O-CB 3.46Å; F14-L18 VanDerWaalsContact O-CD1 3.31Å; F14-L18 WeakPolarHBondContact O-CD1 3.39Å; F14-L18 PolarHBondContact O-N 2.84Å; W16-L18 VanDerWaalsContact C-N 3.34Å; W16-L18 PolarHBondContact O-N 2.83Å; L18-Q20 VanDerWaalsContact C-N 3.31Å; L18-Q21 PolarHBondContact O-N 3.18Å; L18-S22 WeakPolarHBondContact O-CB 3.47Å; L18-S22 PolarHBondContact O-N 3.49Å
19	A	46	Very low	49.1	Very low	50 Å²	50	93.7 Å²	93.7	41%	0.413	47%	0.474	S	S	.	.	H	α-helix	trans	-69.6	-32.1	177.6	0	0	0	0	0	111.8	A15 W16 S22 K23	A15-A19 WeakPolarHBondContact O-CB 3.47Å; A15-A19 PolarHBondContact O-N 3.41Å; W16-A19 PolarHBondContact O-N 3.29Å; A19-S22 PolarHBondContact O-N 2.99Å; A19-S22 PolarHBondContact O-OG 2.98Å; A19-S22 VanDerWaalsContact O-OG 3.11Å; A19-K23 WeakPolarHBondContact O-CB 3.28Å; A19-K23 PolarHBondContact O-N 2.92Å
20	Q	45.6	Very low	49	Very low	108 Å²	108	91.6 Å²	91.6	51%	0.505	47%	0.468	S	S	.	.	H	α-helix	trans	-75.3	-41.7	175.4	-157.4	141.3	-18.1	0	0	110.1	W16 S17 L18 S22 K23 E24	W16-Q20 WeakPolarHBondContact O-CB 3.47Å; W16-Q20 PolarHBondContact O-N 3.19Å; S17-Q20 PolarHBondContact O-N 3.21Å; L18-Q20 VanDerWaalsContact C-N 3.31Å; Q20-S22 VanDerWaalsContact C-N 3.3Å; Q20-S22 PolarHBondContact O-N 3.28Å; Q20-K23 PolarHBondContact O-N 2.82Å; Q20-E24 WeakPolarHBondContact O-CB 3.28Å; Q20-E24 VanDerWaalsContact O-CG 3.27Å; Q20-E24 WeakPolarHBondContact O-CG 3.2Å; Q20-E24 PolarHBondContact O-N 3.47Å
21	Q	45.1	Very low	49.1	Very low	122 Å²	122	88.7 Å²	88.7	57%	0.57	46%	0.459	S	S	*	.	H	α-helix	trans	-56.5	-42.3	166.8	-91.4	-177.8	-27.7	0	0	111.5	S17 L18 E24 R25	S17-Q21 VanDerWaalsContact O-CB 3.3Å; S17-Q21 WeakPolarHBondContact O-CB 3.34Å; S17-Q21 PolarHBondContact O-N 3.49Å; L18-Q21 PolarHBondContact O-N 3.18Å; Q21-E24 PolarHBondContact O-N 2.96Å; Q21-R25 VanDerWaalsContact O-CB 3.25Å; Q21-R25 WeakPolarHBondContact O-CB 3.47Å; Q21-R25 PolarHBondContact O-N 3.5Å
22	S	45.9	Very low	49.4	Very low	81 Å²	81	84.6 Å²	84.6	57%	0.566	43%	0.434	S	S	*	.	H	α-helix	trans	-70.3	-41.1	179.7	87.1	0	0	0	0	112.5	L18 A19 Q20 E24 G26	L18-S22 WeakPolarHBondContact O-CB 3.47Å; L18-S22 PolarHBondContact O-N 3.49Å; A19-S22 PolarHBondContact O-N 2.99Å; A19-S22 PolarHBondContact O-OG 2.98Å; A19-S22 VanDerWaalsContact O-OG 3.11Å; Q20-S22 VanDerWaalsContact C-N 3.3Å; Q20-S22 PolarHBondContact O-N 3.28Å; S22-E24 VanDerWaalsContact C-N 3.3Å; S22-E24 PolarHBondContact O-N 2.8Å; S22-G26 PolarHBondContact O-N 2.81Å
23	K	45.2	Very low	49.8	Very low	176 Å²	176	83.6 Å²	83.6	77%	0.765	43%	0.43	S	S	*	.	H	α-helix	trans	-62.8	-36.9	172.2	-97.6	-177	173.5	178	0	112.3	A19 Q20 G26	A19-K23 WeakPolarHBondContact O-CB 3.28Å; A19-K23 PolarHBondContact O-N 2.92Å; Q20-K23 PolarHBondContact O-N 2.82Å; K23-G26 PolarHBondContact O-N 3.3Å
24	E	46.1	Very low	50.7	Low	60 Å²	60	80 Å²	80	28%	0.28	42%	0.42	S	S	.	.	H	α-helix	trans	-79.1	-42.6	-177.4	-81.4	-176.2	178.1	0	0	112.9	Q20 Q21 S22 G26 R27 H461	Q20-E24 WeakPolarHBondContact O-CB 3.28Å; Q20-E24 VanDerWaalsContact O-CG 3.27Å; Q20-E24 WeakPolarHBondContact O-CG 3.2Å; Q20-E24 PolarHBondContact O-N 3.47Å; Q21-E24 PolarHBondContact O-N 2.96Å; S22-E24 VanDerWaalsContact C-N 3.3Å; S22-E24 PolarHBondContact O-N 2.8Å; E24-G26 PolarHBondContact O-N 2.96Å; E24-G26 VanDerWaalsContact O-N 3.11Å; E24-R27 PolarHBondContact O-N 2.75Å; E24-R27 VanDerWaalsContact O-N 3.11Å; E24-H461 VanDerWaalsContact CB-CE1 3.46Å; E24-H461 WeakPolarHBondContact CB-CE1 3.28Å; E24-H461 WeakPolarHBondContact CB-NE2 3.24Å; E24-H461 IonicContact OE2-CE1 3.81Å; E24-H461 PolarHBondContact OE2-CE1 3.49Å; E24-H461 IonicContact OE2-NE2 3.74Å; E24-H461 PolarHBondContact OE2-NE2 2.92Å
25	R	44.2	Very low	51.8	Low	116 Å²	116	77.8 Å²	77.8	44%	0.438	41%	0.413	S	S	.	.	H	α-helix	trans	-56.2	-27.9	169.4	-142.9	173.5	-163.6	-150.4	-5.4	111	Q21 R27 D454 E458	Q21-R25 VanDerWaalsContact O-CB 3.25Å; Q21-R25 WeakPolarHBondContact O-CB 3.47Å; Q21-R25 PolarHBondContact O-N 3.5Å; R25-R27 PolarHBondContact O-N 2.95Å; R25-D454 IonicContact CZ-OD1 2.96Å; R25-D454 IonicContact CZ-OD2 3.29Å; R25-D454 IonicContact NH2-OD1 2.79Å; R25-D454 IonicContact NH2-OD2 3.62Å; R25-D454 PolarHBondContact NH2-OD2 3.09Å; R25-E458 IonicContact CZ-OE1 3.49Å; R25-E458 IonicContact NE-OE1 3.21Å; R25-E458 PolarHBondContact NE-OE1 2.75Å; R25-E458 IonicContact NH2-OE1 3.64Å; R25-E458 PolarHBondContact NH2-OE1 3.29Å
26	G	43.1	Very low	52.8	Low	23 Å²	23	75.3 Å²	75.3	24%	0.237	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-10.7	175.3	0	0	0	0	0	116.2	S22 K23 E24 F29 S30	S22-G26 PolarHBondContact O-N 2.81Å; K23-G26 PolarHBondContact O-N 3.3Å; E24-G26 PolarHBondContact O-N 2.96Å; E24-G26 VanDerWaalsContact O-N 3.11Å; G26-F29 CarbonylContact O-C 3.5Å; G26-S30 VanDerWaalsContact O-CA 3.23Å; G26-S30 WeakPolarHBondContact O-CA 3.36Å; G26-S30 WeakPolarHBondContact O-CB 2.92Å; G26-S30 PolarHBondContact O-N 3.5Å; G26-S30 PolarHBondContact O-OG 3.31Å
27	R	49.8	Very low	53.8	Low	122 Å²	122	70.2 Å²	70.2	46%	0.46	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-48.8	-179.2	-94.2	-178.4	172.4	-137.9	-9.7	114.6	E24 R25 S30 L31 E464 R468	E24-R27 PolarHBondContact O-N 2.75Å; E24-R27 VanDerWaalsContact O-N 3.11Å; R25-R27 PolarHBondContact O-N 2.95Å; R27-S30 WeakPolarHBondContact CA-OG 3.37Å; R27-S30 WeakPolarHBondContact O-CB 3.41Å; R27-S30 PolarHBondContact O-N 3.3Å; R27-S30 PolarHBondContact O-OG 2.73Å; R27-L31 PolarHBondContact O-N 3.14Å; R27-E464 IonicContact CZ-OE2 3.96Å; R27-E464 IonicContact NH1-OE2 2.91Å; R27-E464 PolarHBondContact NH1-OE2 2.99Å; R27-R468 VanDerWaalsContact NH2-NH2 3.13Å
28	C	55.8	Low	54.6	Low	20 Å²	20	69.5 Å²	69.5	14%	0.135	37%	0.37	C	S	.	.	H	α-helix	trans	-65.5	-45	175.2	-176.2	0	0	0	0	110.4	S30 L31 L32 C457	C28-S30 PolarHBondContact O-N 3.29Å; C28-L31 VanDerWaalsContact O-CB 3.25Å; C28-L31 WeakPolarHBondContact O-CB 3.21Å; C28-L31 PolarHBondContact O-N 3.29Å; C28-L31 VanDerWaalsContact O-N 3.09Å; C28-L32 PolarHBondContact O-N 3.06Å; C28-L32 VanDerWaalsContact O-N 3.14Å; C28-C457 HydrophobicContact CB-CB 3.31Å; C28-C457 WeakPolarHBondContact CB-SG 3.4Å; C28-C457 WeakPolarHBondContact SG-CA 3.46Å; C28-C457 WeakPolarHBondContact SG-CB 3.31Å; C28-C457 CovalentContact SG-SG 2.03Å; C28-C457 PolarHBondContact SG-SG 2.79Å
29	F	50.7	Low	55.8	Low	17 Å²	17	65.4 Å²	65.4	8%	0.075	35%	0.348	C	S	.	.	H	α-helix	trans	-70.6	-9.5	170.2	-71.8	-72.2	0	0	0	113.9	G26 L31 L32 S33 T47 D454 C457	G26-F29 CarbonylContact O-C 3.5Å; F29-L31 VanDerWaalsContact C-N 3.32Å; F29-L32 CarbonylContact O-C 3.28Å; F29-L32 VanDerWaalsContact O-C 3.28Å; F29-S33 WeakPolarHBondContact O-CA 3.34Å; F29-S33 WeakPolarHBondContact O-CB 3.24Å; F29-S33 PolarHBondContact O-N 3Å; F29-S33 PolarHBondContact O-OG 2.78Å; F29-T47 HydrophobicContact CE1-CG2 4.15Å; F29-T47 HydrophobicContact CZ-CG2 4Å; F29-D454 WeakPolarHBondContact CE2-OD1 3.13Å; F29-C457 HydrophobicContact CE2-CB 4.36Å
30	S	54	Low	56.9	Low	65 Å²	65	68.7 Å²	68.7	46%	0.455	36%	0.359	S	S	.	.	H	α-helix	trans	-78.5	-26.8	168.8	68	0	0	0	0	110.7	G26 R27 C28 S33	G26-S30 VanDerWaalsContact O-CA 3.23Å; G26-S30 WeakPolarHBondContact O-CA 3.36Å; G26-S30 WeakPolarHBondContact O-CB 2.92Å; G26-S30 PolarHBondContact O-N 3.5Å; G26-S30 PolarHBondContact O-OG 3.31Å; R27-S30 WeakPolarHBondContact CA-OG 3.37Å; R27-S30 WeakPolarHBondContact O-CB 3.41Å; R27-S30 PolarHBondContact O-N 3.3Å; R27-S30 PolarHBondContact O-OG 2.73Å; C28-S30 PolarHBondContact O-N 3.29Å; S30-S33 WeakPolarHBondContact CA-OG 3.42Å; S30-S33 PolarHBondContact O-OG 2.95Å
31	L	55.8	Low	58.4	Low	81 Å²	81	63.8 Å²	63.8	42%	0.424	34%	0.337	S	S	.	.	H	α-helix	trans	-71.6	-40.6	170.5	-115.2	82.3	0	0	0	110	R27 C28 F29 P286 L293 R297	R27-L31 PolarHBondContact O-N 3.14Å; C28-L31 VanDerWaalsContact O-CB 3.25Å; C28-L31 WeakPolarHBondContact O-CB 3.21Å; C28-L31 PolarHBondContact O-N 3.29Å; C28-L31 VanDerWaalsContact O-N 3.09Å; F29-L31 VanDerWaalsContact C-N 3.32Å; L31-P286 HydrophobicContact CD2-CG 3.66Å; L31-L293 HydrophobicContact CB-CD1 4.24Å; L31-L293 HydrophobicContact CB-CD2 3.81Å; L31-L293 HydrophobicContact CD2-CD1 4.03Å; L31-L293 HydrophobicContact CD2-CD2 3.89Å; L31-L293 HydrophobicContact CD2-CG 4.29Å; L31-L293 HydrophobicContact CG-CD1 3.82Å; L31-L293 HydrophobicContact CG-CD2 4.06Å; L31-L293 HydrophobicContact CG-CG 4.47Å; L31-R297 PolarHBondContact O-NH2 2.71Å
32	L	66	Low	60.3	Low	5 Å²	5	60.2 Å²	60.2	3%	0.026	32%	0.322	C	S	.	.	S	Bend	trans	-96.9	14.8	176.4	-66.4	168.6	0	0	0	114.1	C28 F29 I43 L293 L296	C28-L32 PolarHBondContact O-N 3.06Å; C28-L32 VanDerWaalsContact O-N 3.14Å; F29-L32 CarbonylContact O-C 3.28Å; F29-L32 VanDerWaalsContact O-C 3.28Å; L32-I43 WeakPolarHBondContact O-CD1 3.42Å; L32-L293 HydrophobicContact CD2-CD2 3.73Å; L32-L293 HydrophobicContact CG-CD2 4.06Å; L32-L296 HydrophobicContact CD1-CD1 4.01Å; L32-L296 HydrophobicContact CD2-CB 3.51Å; L32-L296 HydrophobicContact CD2-CD1 3.87Å; L32-L296 HydrophobicContact CD2-CG 4.34Å; L32-L296 HydrophobicContact CG-CD1 4.38Å
33	S	63.6	Low	62.2	Low	50 Å²	50	56.4 Å²	56.4	35%	0.35	30%	0.295	S	S	.	.			trans	-78.4	156.8	-176.9	48.1	0	0	0	0	109.6	F29 S30	F29-S33 WeakPolarHBondContact O-CA 3.34Å; F29-S33 WeakPolarHBondContact O-CB 3.24Å; F29-S33 PolarHBondContact O-N 3Å; F29-S33 PolarHBondContact O-OG 2.78Å; S30-S33 WeakPolarHBondContact CA-OG 3.42Å; S30-S33 PolarHBondContact O-OG 2.95Å
34	G	72.4	Confident	64.1	Low	36 Å²	36	53 Å²	53	37%	0.371	28%	0.282	S	S	.	.	S	Bend	trans	106.1	-156.1	174.9	0	0	0	0	0	111.8	I43	G34-I43 PolarHBondContact O-N 3.31Å
35	M	71.9	Confident	66	Low	93 Å²	93	57.4 Å²	57.4	46%	0.458	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	148.3	-173.5	-59.9	-65.1	-119	0	0	110.1	D37 N40 A41 D42	M35-D37 PolarHBondContact O-N 2.71Å; M35-N40 HydrophobicContact CE-CB 3.98Å; M35-N40 WeakPolarHBondContact CE-O 3.35Å; M35-A41 CarbonylContact C-O 3.33Å; M35-A41 WeakPolarHBondContact CA-O 3.39Å; M35-D42 HydrophobicContact SD-CB 4.3Å
36	V	69.4	Low	68.2	Low	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	117.4	158.5	-178.1	0	0	0	0	106.9	I39 N40 A41 I43 I46 F301 L304	V36-I39 HydrophobicContact CG1-CD1 4.14Å; V36-I39 PolarHBondContact O-N 2.72Å; V36-N40 PolarHBondContact O-N 2.81Å; V36-A41 PolarHBondContact N-O 2.91Å; V36-I43 HydrophobicContact CG2-CD1 4.28Å; V36-I43 HydrophobicContact CG2-CG1 3.7Å; V36-I46 HydrophobicContact CG2-CD1 4.17Å; V36-F301 HydrophobicContact CG1-CB 4.14Å; V36-F301 HydrophobicContact CG1-CD2 4.45Å; V36-L304 HydrophobicContact CB-CD1 4.5Å; V36-L304 HydrophobicContact CG1-CD1 4.49Å; V36-L304 HydrophobicContact CG2-CD1 4.3Å
37	D	67.4	Low	70.4	Confident	85 Å²	85	51.3 Å²	51.3	46%	0.455	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	150.9	178	-56.5	-47.8	0	0	0	110.5	M35 I39 R234	M35-D37 PolarHBondContact O-N 2.71Å; D37-I39 PolarHBondContact O-N 2.67Å; D37-R234 PolarHBondContact O-NH1 2.85Å; D37-R234 PolarHBondContact O-NH2 3.32Å
38	D	65	Low	72.4	Confident	51 Å²	51	47 Å²	47	27%	0.273	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	-29.3	-176.5	-49.9	-37.6	0	0	0	116.5	L227 R230 R234	D38-L227 HydrophobicContact CB-CD1 3.93Å; D38-R230 IonicContact OD1-NH1 2.83Å; D38-R230 PolarHBondContact OD1-NH1 2.88Å; D38-R230 WeakPolarHBondContact OD2-CD 3.35Å; D38-R234 VanDerWaalsContact CG-NH1 3.31Å; D38-R234 IonicContact OD2-CZ 3.91Å; D38-R234 IonicContact OD2-NH1 2.83Å; D38-R234 PolarHBondContact OD2-NH1 3.46Å
39	I	68.7	Low	74.1	Confident	12 Å²	12	46.9 Å²	46.9	6%	0.062	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-19	-177	-56.3	164.7	0	0	0	112.2	V36 D37 A41 F301 L304 F351	V36-I39 HydrophobicContact CG1-CD1 4.14Å; V36-I39 PolarHBondContact O-N 2.72Å; D37-I39 PolarHBondContact O-N 2.67Å; I39-A41 VanDerWaalsContact C-N 3.25Å; I39-A41 HydrophobicContact CG2-CB 4.04Å; I39-A41 PolarHBondContact O-N 2.73Å; I39-F301 HydrophobicContact CD1-CD2 3.26Å; I39-F301 HydrophobicContact CD1-CE2 3.57Å; I39-F301 HydrophobicContact CD1-CG 4.11Å; I39-F301 HydrophobicContact CG1-CD2 4.03Å; I39-F301 HydrophobicContact CG1-CE2 4.01Å; I39-L304 HydrophobicContact CD1-CB 4.25Å; I39-L304 HydrophobicContact CD1-CD1 3.88Å; I39-L304 HydrophobicContact CG2-CD1 4.07Å; I39-F351 HydrophobicContact CB-CD2 4.44Å; I39-F351 HydrophobicContact CD1-CD2 3.58Å; I39-F351 HydrophobicContact CD1-CE2 3.65Å; I39-F351 HydrophobicContact CG1-CD2 3.77Å; I39-F351 HydrophobicContact CG1-CE2 3.88Å; I39-F351 HydrophobicContact CG2-CB 4.38Å; I39-F351 HydrophobicContact CG2-CD2 3.73Å; I39-F351 HydrophobicContact CG2-CG 4.47Å
40	N	69.8	Low	76.2	Confident	119 Å²	119	46.1 Å²	46.1	64%	0.636	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	38.2	-176.7	-70.3	-24.7	0	0	0	113.3	M35 V36	M35-N40 HydrophobicContact CE-CB 3.98Å; M35-N40 WeakPolarHBondContact CE-O 3.35Å; V36-N40 PolarHBondContact O-N 2.81Å
41	A	76.8	Confident	78.1	Confident	6 Å²	6	44.8 Å²	44.8	5%	0.05	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	132.5	178.2	0	0	0	0	0	111.4	M35 V36 I39 I43 I46 L304 I350	M35-A41 CarbonylContact C-O 3.33Å; M35-A41 WeakPolarHBondContact CA-O 3.39Å; V36-A41 PolarHBondContact N-O 2.91Å; I39-A41 VanDerWaalsContact C-N 3.25Å; I39-A41 HydrophobicContact CG2-CB 4.04Å; I39-A41 PolarHBondContact O-N 2.73Å; A41-I43 PolarHBondContact O-N 2.91Å; A41-I46 HydrophobicContact CB-CD1 3.77Å; A41-L304 HydrophobicContact CB-CD1 3.85Å; A41-I350 HydrophobicContact CB-CG2 3.73Å
42	D	84.2	Confident	79.9	Confident	47 Å²	47	47.5 Å²	47.5	25%	0.251	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	119	-178.3	179.2	-6.5	0	0	0	110.9	M35 Q44 K45 I46	M35-D42 HydrophobicContact SD-CB 4.3Å; D42-Q44 VanDerWaalsContact C-N 3.29Å; D42-Q44 PolarHBondContact O-N 3.25Å; D42-Q44 PolarHBondContact OD1-N 2.96Å; D42-K45 HydrophobicContact CB-CB 4.19Å; D42-K45 HydrophobicContact CB-CD 4.03Å; D42-K45 HydrophobicContact CB-CG 4.08Å; D42-K45 PolarHBondContact O-N 3.38Å; D42-K45 WeakPolarHBondContact OD2-CE 3.37Å; D42-I46 WeakPolarHBondContact O-CG1 3.4Å; D42-I46 PolarHBondContact O-N 3.46Å
43	I	86.7	Confident	81.2	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-57.4	-41.5	-178.7	-70.9	170.8	0	0	0	111.3	L32 G34 V36 A41 K45 I46 T47 R297 Y300	L32-I43 WeakPolarHBondContact O-CD1 3.42Å; G34-I43 PolarHBondContact O-N 3.31Å; V36-I43 HydrophobicContact CG2-CD1 4.28Å; V36-I43 HydrophobicContact CG2-CG1 3.7Å; A41-I43 PolarHBondContact O-N 2.91Å; I43-K45 VanDerWaalsContact C-N 3.34Å; I43-K45 PolarHBondContact O-N 3.15Å; I43-I46 PolarHBondContact O-N 3.03Å; I43-T47 PolarHBondContact O-N 3.06Å; I43-T47 PolarHBondContact O-OG1 3.43Å; I43-R297 HydrophobicContact CD1-CG 4.15Å; I43-Y300 HydrophobicContact CD1-CD2 4.47Å; I43-Y300 HydrophobicContact CG1-CD2 4.38Å; I43-Y300 HydrophobicContact CG1-CG 4.35Å; I43-Y300 HydrophobicContact CG2-CD1 4.34Å; I43-Y300 HydrophobicContact CG2-CD2 4.27Å; I43-Y300 HydrophobicContact CG2-CE1 3.85Å; I43-Y300 HydrophobicContact CG2-CE2 3.8Å
44	Q	85.1	Confident	82.7	Confident	104 Å²	104	49 Å²	49	49%	0.486	26%	0.26	S	S	.	.	H	α-helix	trans	-66.5	-38.8	-177.4	-66.4	-175.7	-3.1	0	0	111.9	D42 G48	D42-Q44 VanDerWaalsContact C-N 3.29Å; D42-Q44 PolarHBondContact O-N 3.25Å; D42-Q44 PolarHBondContact OD1-N 2.96Å; Q44-G48 PolarHBondContact O-N 2.67Å
45	K	86.4	Confident	83.9	Confident	153 Å²	153	48.3 Å²	48.3	67%	0.665	25%	0.248	S	C	*	.	H	α-helix	trans	-65.2	-42.5	174.8	-69	-177.9	-171.2	176.1	0	111.1	D42 I43 G48 F49	D42-K45 HydrophobicContact CB-CB 4.19Å; D42-K45 HydrophobicContact CB-CD 4.03Å; D42-K45 HydrophobicContact CB-CG 4.08Å; D42-K45 PolarHBondContact O-N 3.38Å; D42-K45 WeakPolarHBondContact OD2-CE 3.37Å; I43-K45 VanDerWaalsContact C-N 3.34Å; I43-K45 PolarHBondContact O-N 3.15Å; K45-G48 PolarHBondContact O-N 3Å; K45-F49 WeakPolarHBondContact O-CB 3.38Å; K45-F49 PolarHBondContact O-N 3.26Å
46	I	89.2	Confident	85.1	Confident	5 Å²	5	47 Å²	47	3%	0.026	25%	0.247	C	C	.	.	H	α-helix	trans	-63.5	-47	177.4	-63.8	160.4	0	0	0	110.6	V36 A41 D42 I43 G48 F49 N50 Y300 Y303 L304 I450	V36-I46 HydrophobicContact CG2-CD1 4.17Å; A41-I46 HydrophobicContact CB-CD1 3.77Å; D42-I46 WeakPolarHBondContact O-CG1 3.4Å; D42-I46 PolarHBondContact O-N 3.46Å; I43-I46 PolarHBondContact O-N 3.03Å; I46-G48 VanDerWaalsContact C-N 3.34Å; I46-G48 PolarHBondContact O-N 2.9Å; I46-F49 PolarHBondContact O-N 2.69Å; I46-N50 VanDerWaalsContact O-CB 3.24Å; I46-N50 WeakPolarHBondContact O-CB 3.13Å; I46-N50 PolarHBondContact O-N 2.74Å; I46-Y300 HydrophobicContact CB-CD1 4.29Å; I46-Y300 HydrophobicContact CB-CE1 4.49Å; I46-Y300 HydrophobicContact CG2-CD1 3.86Å; I46-Y300 HydrophobicContact CG2-CE1 4.18Å; I46-Y303 HydrophobicContact CG2-CD1 3.87Å; I46-Y303 HydrophobicContact CG2-CE1 3.63Å; I46-L304 HydrophobicContact CD1-CD1 3.78Å; I46-L304 HydrophobicContact CD1-CD2 3.94Å; I46-L304 HydrophobicContact CD1-CG 4.17Å; I46-L304 HydrophobicContact CG1-CD2 4.2Å; I46-I450 HydrophobicContact CG2-CD1 4.5Å
47	T	90.6	Very high	86.4	Confident	7 Å²	7	50.6 Å²	50.6	4%	0.043	26%	0.26	C	S	.	.	H	α-helix	trans	-60.3	-45	177.7	-53.9	0	0	0	0	111.1	F29 I43 N50 N51 Y300 I450	F29-T47 HydrophobicContact CE1-CG2 4.15Å; F29-T47 HydrophobicContact CZ-CG2 4Å; I43-T47 PolarHBondContact O-N 3.06Å; I43-T47 PolarHBondContact O-OG1 3.43Å; T47-N50 PolarHBondContact O-N 3.38Å; T47-N51 WeakPolarHBondContact O-CB 3.2Å; T47-N51 VanDerWaalsContact O-CG 3.26Å; T47-N51 PolarHBondContact O-N 3.23Å; T47-N51 PolarHBondContact O-OD1 2.7Å; T47-Y300 WeakPolarHBondContact OG1-CE1 3.47Å; T47-Y300 PolarHBondContact OG1-OH 2.73Å; T47-I450 HydrophobicContact CG2-CG2 4.17Å
48	G	90.3	Very high	87.9	Confident	30 Å²	30	46.6 Å²	46.6	31%	0.309	24%	0.239	S	C	.	.	H	α-helix	trans	-61.6	-47	176.4	0	0	0	0	0	112.7	Q44 K45 I46 L52	Q44-G48 PolarHBondContact O-N 2.67Å; K45-G48 PolarHBondContact O-N 3Å; I46-G48 VanDerWaalsContact C-N 3.34Å; I46-G48 PolarHBondContact O-N 2.9Å; G48-L52 VanDerWaalsContact O-CB 3.25Å; G48-L52 WeakPolarHBondContact O-CB 3.15Å; G48-L52 VanDerWaalsContact O-CG 3.24Å; G48-L52 WeakPolarHBondContact O-CG 3.06Å; G48-L52 PolarHBondContact O-N 2.8Å
49	F	92	Very high	89.4	Confident	19 Å²	19	48.1 Å²	48.1	8%	0.083	24%	0.243	C	C	.	.	H	α-helix	trans	-60.4	-46.2	175.4	172.7	-115.1	0	0	0	111.8	K45 I46 K53 V54 L307 I343 E347	K45-F49 WeakPolarHBondContact O-CB 3.38Å; K45-F49 PolarHBondContact O-N 3.26Å; I46-F49 PolarHBondContact O-N 2.69Å; F49-K53 HydrophobicContact CD2-CB 3.98Å; F49-K53 HydrophobicContact CD2-CD 3.81Å; F49-K53 HydrophobicContact CD2-CG 4.2Å; F49-K53 HydrophobicContact CE2-CB 3.88Å; F49-K53 HydrophobicContact CE2-CD 3.78Å; F49-K53 HydrophobicContact CE2-CG 4.35Å; F49-K53 WeakPolarHBondContact O-CB 3.33Å; F49-K53 PolarHBondContact O-N 2.98Å; F49-V54 HydrophobicContact CD1-CG2 3.69Å; F49-V54 HydrophobicContact CD2-CG2 4.45Å; F49-V54 HydrophobicContact CE1-CG2 3.21Å; F49-V54 HydrophobicContact CE2-CG2 4.02Å; F49-V54 HydrophobicContact CG-CG2 4.29Å; F49-V54 HydrophobicContact CZ-CG2 3.4Å; F49-V54 PolarHBondContact O-N 3.12Å; F49-L307 HydrophobicContact CE1-CD1 4.46Å; F49-L307 HydrophobicContact CE1-CD2 4.12Å; F49-I343 HydrophobicContact CE2-CG2 3.94Å; F49-I343 HydrophobicContact CZ-CG2 4.21Å; F49-E347 HydrophobicContact CD2-CG 4.16Å; F49-E347 HydrophobicContact CE1-CB 4.49Å; F49-E347 HydrophobicContact CE2-CB 4.06Å; F49-E347 HydrophobicContact CE2-CG 3.55Å; F49-E347 HydrophobicContact CZ-CB 3.93Å; F49-E347 HydrophobicContact CZ-CG 3.92Å
50	N	94.1	Very high	90.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.256	C	S	.	.	I	π-helix	trans	-59.1	-57.1	178.7	-179.9	69.8	0	0	0	110.7	I46 T47 L52 V54 L55 Y303 S447 I450	I46-N50 VanDerWaalsContact O-CB 3.24Å; I46-N50 WeakPolarHBondContact O-CB 3.13Å; I46-N50 PolarHBondContact O-N 2.74Å; T47-N50 PolarHBondContact O-N 3.38Å; N50-L52 VanDerWaalsContact C-N 3.33Å; N50-L52 PolarHBondContact O-N 3.34Å; N50-V54 PolarHBondContact O-N 3.24Å; N50-V54 VanDerWaalsContact O-N 3.16Å; N50-L55 VanDerWaalsContact O-CB 3.28Å; N50-L55 WeakPolarHBondContact O-CB 3.09Å; N50-L55 PolarHBondContact O-N 3.4Å; N50-Y303 WeakPolarHBondContact OD1-CE2 3.42Å; N50-Y303 PolarHBondContact OD1-OH 3.02Å; N50-S447 PolarHBondContact ND2-O 3.3Å; N50-S447 WeakPolarHBondContact OD1-CA 3.5Å; N50-S447 VanDerWaalsContact OD1-CB 3.31Å; N50-S447 WeakPolarHBondContact OD1-CB 2.96Å; N50-S447 PolarHBondContact OD1-OG 3.49Å; N50-I450 HydrophobicContact CB-CG2 4.02Å; N50-I450 WeakPolarHBondContact ND2-CG2 3.25Å
51	N	93.9	Very high	92.1	Very high	38 Å²	38	44.9 Å²	44.9	20%	0.203	23%	0.226	C	C	.	.	I	π-helix	trans	-69.3	-31.6	-170.9	-65.7	1.5	0	0	0	112.3	T47 G451	T47-N51 WeakPolarHBondContact O-CB 3.2Å; T47-N51 VanDerWaalsContact O-CG 3.26Å; T47-N51 PolarHBondContact O-N 3.23Å; T47-N51 PolarHBondContact O-OD1 2.7Å; N51-G451 WeakPolarHBondContact OD1-CA 3.49Å
52	L	93.8	Very high	93.1	Very high	137 Å²	137	45 Å²	45	72%	0.717	23%	0.226	S	C	*	.	I	π-helix	trans	-89.6	-42.1	-177.9	-63	174.6	0	0	0	113.8	G48 N50	G48-L52 VanDerWaalsContact O-CB 3.25Å; G48-L52 WeakPolarHBondContact O-CB 3.15Å; G48-L52 VanDerWaalsContact O-CG 3.24Å; G48-L52 WeakPolarHBondContact O-CG 3.06Å; G48-L52 PolarHBondContact O-N 2.8Å; N50-L52 VanDerWaalsContact C-N 3.33Å; N50-L52 PolarHBondContact O-N 3.34Å
53	K	94.2	Very high	93.5	Very high	86 Å²	86	48.6 Å²	48.6	37%	0.374	24%	0.241	S	C	.	.	I	π-helix	trans	-107.7	-46.8	-171	-61.2	-167.5	-170.1	172	0	112.9	F49 R57 I343 E347	F49-K53 HydrophobicContact CD2-CB 3.98Å; F49-K53 HydrophobicContact CD2-CD 3.81Å; F49-K53 HydrophobicContact CD2-CG 4.2Å; F49-K53 HydrophobicContact CE2-CB 3.88Å; F49-K53 HydrophobicContact CE2-CD 3.78Å; F49-K53 HydrophobicContact CE2-CG 4.35Å; F49-K53 WeakPolarHBondContact O-CB 3.33Å; F49-K53 PolarHBondContact O-N 2.98Å; K53-R57 VanDerWaalsContact O-CD 3.26Å; K53-R57 WeakPolarHBondContact O-CD 3.1Å; K53-R57 WeakPolarHBondContact O-CG 2.94Å; K53-R57 PolarHBondContact O-NH1 3.43Å; K53-I343 HydrophobicContact CB-CG2 4.06Å; K53-I343 HydrophobicContact CD-CG2 4.17Å; K53-E347 IonicContact NZ-OE1 3.38Å; K53-E347 PolarHBondContact NZ-OE1 3.01Å
54	V	95.7	Very high	93.8	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.006	25%	0.246	C	C	.	.	I	π-helix	trans	-82.9	-56.3	-169.8	-179.6	0	0	0	0	112.3	F49 N50 R57 I58 F340 F443	F49-V54 HydrophobicContact CD1-CG2 3.69Å; F49-V54 HydrophobicContact CD2-CG2 4.45Å; F49-V54 HydrophobicContact CE1-CG2 3.21Å; F49-V54 HydrophobicContact CE2-CG2 4.02Å; F49-V54 HydrophobicContact CG-CG2 4.29Å; F49-V54 HydrophobicContact CZ-CG2 3.4Å; F49-V54 PolarHBondContact O-N 3.12Å; N50-V54 PolarHBondContact O-N 3.24Å; N50-V54 VanDerWaalsContact O-N 3.16Å; V54-R57 PolarHBondContact O-N 3.07Å; V54-I58 PolarHBondContact O-N 2.72Å; V54-F340 HydrophobicContact CG1-CE2 3.86Å; V54-F443 HydrophobicContact CG1-CE1 3.48Å; V54-F443 VanDerWaalsContact CG1-CE1 3.48Å; V54-F443 HydrophobicContact CG1-CZ 3.63Å
55	L	96.3	Very high	93.9	Very high	21 Å²	21	46.8 Å²	46.8	11%	0.11	23%	0.233	C	C	.	.	H	α-helix	trans	-57.1	-45.2	-170.7	-179.2	61.1	0	0	0	113	N50 R57 I58 K59 S447	N50-L55 VanDerWaalsContact O-CB 3.28Å; N50-L55 WeakPolarHBondContact O-CB 3.09Å; N50-L55 PolarHBondContact O-N 3.4Å; L55-R57 VanDerWaalsContact C-N 3.27Å; L55-R57 PolarHBondContact O-N 3.32Å; L55-I58 HydrophobicContact CD1-CG2 4.4Å; L55-I58 WeakPolarHBondContact O-CG2 3.23Å; L55-K59 HydrophobicContact CD1-CD 4.2Å; L55-K59 HydrophobicContact CD1-CG 4.09Å; L55-K59 HydrophobicContact CG-CD 4.35Å; L55-K59 WeakPolarHBondContact O-CB 3.22Å; L55-K59 WeakPolarHBondContact O-CG 3.17Å; L55-K59 PolarHBondContact O-N 2.88Å; L55-S447 WeakPolarHBondContact CA-OG 3.23Å; L55-S447 WeakPolarHBondContact CD1-OG 3.39Å
56	P	97.1	Very high	94.1	Very high	67 Å²	67	40 Å²	40	44%	0.435	20%	0.204	S	C	.	.	H	α-helix	trans	-62.1	-35	177	-23.5	35.4	0	0	0	113	N60	P56-N60 PolarHBondContact O-N 3.19Å
57	R	97.8	Very high	94.3	Very high	75 Å²	75	39.8 Å²	39.8	28%	0.283	20%	0.203	S	C	.	.	H	α-helix	trans	-78.2	-47.1	-177.2	-71.3	176.7	170.4	75.2	-1	112.2	K53 V54 L55 K59 N60 I61 D339 F340 I343	K53-R57 VanDerWaalsContact O-CD 3.26Å; K53-R57 WeakPolarHBondContact O-CD 3.1Å; K53-R57 WeakPolarHBondContact O-CG 2.94Å; K53-R57 PolarHBondContact O-NH1 3.43Å; V54-R57 PolarHBondContact O-N 3.07Å; L55-R57 VanDerWaalsContact C-N 3.27Å; L55-R57 PolarHBondContact O-N 3.32Å; R57-K59 VanDerWaalsContact C-N 3.28Å; R57-K59 PolarHBondContact O-N 3.23Å; R57-N60 WeakPolarHBondContact O-CB 3.15Å; R57-N60 PolarHBondContact O-N 3.31Å; R57-N60 VanDerWaalsContact O-N 3.11Å; R57-I61 WeakPolarHBondContact O-CG1 3.27Å; R57-I61 PolarHBondContact O-N 3.46Å; R57-D339 WeakPolarHBondContact CD-OD2 3.42Å; R57-D339 IonicContact CZ-OD2 2.83Å; R57-D339 IonicContact NE-OD2 3.27Å; R57-D339 PolarHBondContact NE-OD2 2.94Å; R57-D339 IonicContact NH2-OD2 3.69Å; R57-F340 HydrophobicContact CB-CB 4.34Å; R57-F340 HydrophobicContact CB-CD2 3.82Å; R57-I343 VanDerWaalsContact CD-CD1 3.47Å
58	I	97.8	Very high	94.2	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-63.6	-38	177.7	-164.9	59.5	0	0	0	110.4	V54 L55 N60 I61 L62 F340 F440 F443	V54-I58 PolarHBondContact O-N 2.72Å; L55-I58 HydrophobicContact CD1-CG2 4.4Å; L55-I58 WeakPolarHBondContact O-CG2 3.23Å; I58-N60 VanDerWaalsContact C-N 3.32Å; I58-N60 PolarHBondContact O-N 2.85Å; I58-I61 HydrophobicContact CD1-CB 4.46Å; I58-I61 PolarHBondContact O-N 2.89Å; I58-L62 HydrophobicContact CG1-CG 4.34Å; I58-L62 VanDerWaalsContact O-CG 3.29Å; I58-L62 WeakPolarHBondContact O-CG 3.17Å; I58-L62 PolarHBondContact O-N 3.27Å; I58-F340 HydrophobicContact CB-CE2 3.95Å; I58-F340 HydrophobicContact CB-CZ 4.29Å; I58-F340 HydrophobicContact CD1-CE1 4.14Å; I58-F340 HydrophobicContact CD1-CE2 4.23Å; I58-F340 HydrophobicContact CD1-CZ 3.76Å; I58-F340 HydrophobicContact CG1-CZ 4.37Å; I58-F440 HydrophobicContact CD1-CB 4.44Å; I58-F440 HydrophobicContact CD1-CD1 3.7Å; I58-F443 HydrophobicContact CD1-CD1 4.26Å; I58-F443 HydrophobicContact CG1-CD1 4.13Å
59	K	96.5	Very high	94	Very high	83 Å²	83	39.5 Å²	39.5	36%	0.361	19%	0.192	S	C	.	.	H	α-helix	trans	-57.3	-42.7	172.1	-80.9	-176	173.6	-176.1	0	112.4	L55 R57 Q63	L55-K59 HydrophobicContact CD1-CD 4.2Å; L55-K59 HydrophobicContact CD1-CG 4.09Å; L55-K59 HydrophobicContact CG-CD 4.35Å; L55-K59 WeakPolarHBondContact O-CB 3.22Å; L55-K59 WeakPolarHBondContact O-CG 3.17Å; L55-K59 PolarHBondContact O-N 2.88Å; R57-K59 VanDerWaalsContact C-N 3.28Å; R57-K59 PolarHBondContact O-N 3.23Å; K59-Q63 WeakPolarHBondContact O-CG 3.17Å; K59-Q63 PolarHBondContact O-N 2.83Å
60	N	97.5	Very high	93.7	Very high	62 Å²	62	38.9 Å²	38.9	33%	0.332	19%	0.189	S	C	.	.	H	α-helix	trans	-67	-40.5	176.4	-176	23.2	0	0	0	112.2	P56 R57 I58 Q63	P56-N60 PolarHBondContact O-N 3.19Å; R57-N60 WeakPolarHBondContact O-CB 3.15Å; R57-N60 PolarHBondContact O-N 3.31Å; R57-N60 VanDerWaalsContact O-N 3.11Å; I58-N60 VanDerWaalsContact C-N 3.32Å; I58-N60 PolarHBondContact O-N 2.85Å; N60-Q63 PolarHBondContact O-N 2.8Å
61	I	98.3	Very high	93.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63.1	-44.8	177.4	-69.2	167.2	0	0	0	111.1	R57 I58 Q63 K64 F67 V336 V337 F340 F440	R57-I61 WeakPolarHBondContact O-CG1 3.27Å; R57-I61 PolarHBondContact O-N 3.46Å; I58-I61 HydrophobicContact CD1-CB 4.46Å; I58-I61 PolarHBondContact O-N 2.89Å; I61-Q63 PolarHBondContact O-N 2.76Å; I61-Q63 VanDerWaalsContact O-N 3.11Å; I61-K64 WeakPolarHBondContact O-CB 3.41Å; I61-K64 WeakPolarHBondContact O-CG 3.13Å; I61-K64 PolarHBondContact O-N 2.88Å; I61-F67 HydrophobicContact CG2-CD1 4.31Å; I61-F67 HydrophobicContact CG2-CD2 3.48Å; I61-F67 VanDerWaalsContact CG2-CD2 3.48Å; I61-F67 HydrophobicContact CG2-CE1 4.23Å; I61-F67 HydrophobicContact CG2-CE2 3.4Å; I61-F67 VanDerWaalsContact CG2-CE2 3.4Å; I61-F67 HydrophobicContact CG2-CG 3.95Å; I61-F67 HydrophobicContact CG2-CZ 3.79Å; I61-F67 WeakPolarHBondContact O-CD2 3.36Å; I61-V336 HydrophobicContact CG1-CB 4.34Å; I61-V336 HydrophobicContact CG1-CG2 3.98Å; I61-V337 HydrophobicContact CD1-CG2 4.25Å; I61-V337 HydrophobicContact CG1-CG2 4.24Å; I61-V337 HydrophobicContact CG2-CG2 4.03Å; I61-F340 HydrophobicContact CD1-CB 3.44Å; I61-F340 VanDerWaalsContact CD1-CB 3.44Å; I61-F340 HydrophobicContact CD1-CD1 3.7Å; I61-F340 HydrophobicContact CD1-CD2 4.19Å; I61-F340 HydrophobicContact CD1-CE1 4.44Å; I61-F340 HydrophobicContact CD1-CG 3.53Å; I61-F440 HydrophobicContact CD1-CE1 4.26Å; I61-F440 HydrophobicContact CG2-CD1 3.78Å; I61-F440 HydrophobicContact CG2-CE1 4.17Å
62	L	96.7	Very high	92.9	Very high	10 Å²	10	39.6 Å²	39.6	5%	0.052	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-9.3	-179.6	-64.7	-170.4	0	0	0	114	I58 F67 F440 N441	I58-L62 HydrophobicContact CG1-CG 4.34Å; I58-L62 VanDerWaalsContact O-CG 3.29Å; I58-L62 WeakPolarHBondContact O-CG 3.17Å; I58-L62 PolarHBondContact O-N 3.27Å; L62-F67 HydrophobicContact CD2-CB 4.29Å; L62-F440 HydrophobicContact CD2-CB 4.12Å; L62-N441 HydrophobicContact CD2-CB 4.38Å
63	Q	93.8	Very high	92.6	Very high	121 Å²	121	33.2 Å²	33.2	57%	0.565	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-9	171.8	-71.3	176.3	-10.6	0	0	113.2	K59 N60 I61	K59-Q63 WeakPolarHBondContact O-CG 3.17Å; K59-Q63 PolarHBondContact O-N 2.83Å; N60-Q63 PolarHBondContact O-N 2.8Å; I61-Q63 PolarHBondContact O-N 2.76Å; I61-Q63 VanDerWaalsContact O-N 3.11Å
64	K	92.8	Very high	92.2	Very high	27 Å²	27	30.2 Å²	30.2	12%	0.117	15%	0.146	C	C	.	.	S	Bend	trans	-80.2	140.3	179.2	-53.5	-55.4	-174.4	-172.6	0	110.5	I61 F66 F67 H68 E332 T333 V336	I61-K64 WeakPolarHBondContact O-CB 3.41Å; I61-K64 WeakPolarHBondContact O-CG 3.13Å; I61-K64 PolarHBondContact O-N 2.88Å; K64-F66 PolarHBondContact O-N 3.31Å; K64-F67 HydrophobicContact CB-CD2 4.19Å; K64-F67 PolarHBondContact O-N 2.71Å; K64-H68 VanDerWaalsContact C-CD2 3.49Å; K64-H68 PolarHBondContact O-CD2 3.44Å; K64-H68 VanDerWaalsContact O-CD2 3.3Å; K64-H68 PolarHBondContact O-N 3.14Å; K64-E332 VanDerWaalsContact NZ-CD 3.32Å; K64-E332 IonicContact NZ-OE1 3.41Å; K64-E332 PolarHBondContact NZ-OE1 2.96Å; K64-E332 IonicContact NZ-OE2 3.39Å; K64-T333 HydrophobicContact CB-CG2 4.11Å; K64-T333 HydrophobicContact CG-CG2 4.26Å; K64-V336 HydrophobicContact CG-CG2 4.28Å
65	D	87.9	Confident	91.6	Very high	39 Å²	39	35.8 Å²	35.8	21%	0.209	17%	0.172	C	C	.	.	H	α-helix	trans	-46.8	-39.7	-178.8	-69.4	26.6	0	0	0	113.4	F67 H68 Y69 P103 T324 M329	D65-F67 PolarHBondContact O-N 3.24Å; D65-H68 IonicContact OD1-NE2 3.73Å; D65-Y69 HydrophobicContact CB-CD2 4.21Å; D65-Y69 HydrophobicContact CB-CE2 4.15Å; D65-Y69 WeakPolarHBondContact O-CD2 3.48Å; D65-P103 HydrophobicContact CB-CG 4.11Å; D65-T324 HydrophobicContact CB-CG2 4.02Å; D65-M329 WeakPolarHBondContact OD2-CE 2.95Å
66	F	89.1	Confident	91	Very high	11 Å²	11	37.4 Å²	37.4	5%	0.048	18%	0.176	C	C	.	.	H	α-helix	trans	-55.6	-37.6	177.5	-174.2	-85	0	0	0	112.8	K64 Y322 T324 T333 R433 I436 I437	K64-F66 PolarHBondContact O-N 3.31Å; F66-Y322 AromaticContact CD1-CD1 3.65Å; F66-Y322 HydrophobicContact CD1-CD1 3.65Å; F66-Y322 HydrophobicContact CD1-CE1 4.46Å; F66-Y322 VanDerWaalsContact CD2-CA 3.44Å; F66-Y322 HydrophobicContact CD2-CD1 4.22Å; F66-Y322 WeakPolarHBondContact CD2-O 3.47Å; F66-Y322 AromaticContact CE1-CD1 3.67Å; F66-Y322 HydrophobicContact CE1-CD1 3.67Å; F66-Y322 HydrophobicContact CE1-CE1 4.24Å; F66-Y322 HydrophobicContact CE2-CD1 4.22Å; F66-Y322 AromaticContact CG-CD1 3.94Å; F66-Y322 HydrophobicContact CG-CD1 3.94Å; F66-Y322 HydrophobicContact CG-CG 4.44Å; F66-Y322 AromaticContact CZ-CD1 3.95Å; F66-Y322 HydrophobicContact CZ-CD1 3.95Å; F66-T324 HydrophobicContact CB-CG2 4.05Å; F66-T333 HydrophobicContact CB-CG2 4.33Å; F66-R433 HydrophobicContact CE2-CG 4.04Å; F66-R433 HydrophobicContact CZ-CG 3.84Å; F66-R433 PolarHBondContact O-NH2 2.97Å; F66-I436 HydrophobicContact CE1-CB 4.26Å; F66-I436 HydrophobicContact CE1-CG2 3.81Å; F66-I436 HydrophobicContact CZ-CG2 4.4Å; F66-I437 HydrophobicContact CD1-CG1 4.2Å; F66-I437 HydrophobicContact CE1-CG1 3.92Å; F66-I437 WeakPolarHBondContact O-CD1 2.99Å; F66-I437 VanDerWaalsContact O-CG1 3.24Å; F66-I437 WeakPolarHBondContact O-CG1 3.04Å
67	F	93.8	Very high	90.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-98.8	-12.9	-169.3	-67.1	-76.9	0	0	0	115	I61 L62 K64 D65 Y322 T333 V337 I436 I437 F440 N441	I61-F67 HydrophobicContact CG2-CD1 4.31Å; I61-F67 HydrophobicContact CG2-CD2 3.48Å; I61-F67 VanDerWaalsContact CG2-CD2 3.48Å; I61-F67 HydrophobicContact CG2-CE1 4.23Å; I61-F67 HydrophobicContact CG2-CE2 3.4Å; I61-F67 VanDerWaalsContact CG2-CE2 3.4Å; I61-F67 HydrophobicContact CG2-CG 3.95Å; I61-F67 HydrophobicContact CG2-CZ 3.79Å; I61-F67 WeakPolarHBondContact O-CD2 3.36Å; L62-F67 HydrophobicContact CD2-CB 4.29Å; K64-F67 HydrophobicContact CB-CD2 4.19Å; K64-F67 PolarHBondContact O-N 2.71Å; D65-F67 PolarHBondContact O-N 3.24Å; F67-Y322 HydrophobicContact CE1-CE1 4.37Å; F67-Y322 HydrophobicContact CE2-CD1 4.15Å; F67-Y322 HydrophobicContact CE2-CE1 4.34Å; F67-Y322 AromaticContact CZ-CD1 3.78Å; F67-Y322 HydrophobicContact CZ-CD1 3.78Å; F67-Y322 AromaticContact CZ-CE1 3.59Å; F67-Y322 HydrophobicContact CZ-CE1 3.59Å; F67-T333 HydrophobicContact CD2-CG2 4.27Å; F67-T333 HydrophobicContact CE2-CG2 3.7Å; F67-V337 HydrophobicContact CE2-CG2 3.66Å; F67-V337 HydrophobicContact CZ-CG2 3.73Å; F67-I436 HydrophobicContact CE1-CG2 4.05Å; F67-I437 WeakPolarHBondContact O-CG2 3.35Å; F67-F440 HydrophobicContact CD1-CB 3.73Å; F67-F440 HydrophobicContact CD1-CD2 4.39Å; F67-F440 AromaticContact CD1-CG 3.98Å; F67-F440 HydrophobicContact CD1-CG 3.98Å; F67-F440 HydrophobicContact CE1-CB 3.75Å; F67-F440 AromaticContact CE1-CD1 3.91Å; F67-F440 HydrophobicContact CE1-CD1 3.91Å; F67-F440 AromaticContact CE1-CD2 3.57Å; F67-F440 HydrophobicContact CE1-CD2 3.57Å; F67-F440 HydrophobicContact CE1-CE1 4.38Å; F67-F440 HydrophobicContact CE1-CE2 4.07Å; F67-F440 AromaticContact CE1-CG 3.46Å; F67-F440 HydrophobicContact CE1-CG 3.46Å; F67-F440 VanDerWaalsContact CE1-CG 3.46Å; F67-F440 HydrophobicContact CE1-CZ 4.45Å; F67-F440 HydrophobicContact CZ-CD1 4.22Å; F67-F440 HydrophobicContact CZ-CD2 4.31Å; F67-F440 HydrophobicContact CZ-CE1 4.34Å; F67-F440 HydrophobicContact CZ-CE2 4.4Å; F67-F440 HydrophobicContact CZ-CG 4.2Å; F67-F440 HydrophobicContact CZ-CZ 4.42Å; F67-N441 PolarHBondContact O-ND2 3.45Å
68	H	89.6	Confident	89.9	Confident	9 Å²	9	33.5 Å²	33.5	4%	0.042	17%	0.169	C	C	.	.	H	α-helix	trans	-111.5	-13.6	-178.2	78.3	86.9	0	0	0	115.4	K64 D65 D178 L179 L180	K64-H68 VanDerWaalsContact C-CD2 3.49Å; K64-H68 PolarHBondContact O-CD2 3.44Å; K64-H68 VanDerWaalsContact O-CD2 3.3Å; K64-H68 PolarHBondContact O-N 3.14Å; D65-H68 IonicContact OD1-NE2 3.73Å; H68-D178 IonicContact CE1-OD1 2.71Å; H68-D178 IonicContact CG-OD1 3.77Å; H68-D178 IonicContact ND1-OD1 3.03Å; H68-D178 PolarHBondContact ND1-OD1 2.82Å; H68-D178 WeakPolarHBondContact O-CA 3.36Å; H68-L179 HydrophobicContact CB-CB 4.36Å; H68-L179 WeakPolarHBondContact O-CG 3.47Å; H68-L179 PolarHBondContact O-N 2.87Å; H68-L180 HydrophobicContact CB-CD1 4.18Å; H68-L180 HydrophobicContact CB-CD2 4.35Å; H68-L180 HydrophobicContact CB-CG 3.76Å
69	Y	84.5	Confident	89.4	Confident	22 Å²	22	37.3 Å²	37.3	9%	0.086	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	109.8	167.3	-67.6	-73.9	0	0	0	109.9	D65 C97 E101 P103 D178 I437	D65-Y69 HydrophobicContact CB-CD2 4.21Å; D65-Y69 HydrophobicContact CB-CE2 4.15Å; D65-Y69 WeakPolarHBondContact O-CD2 3.48Å; Y69-C97 VanDerWaalsContact CE1-SG 3.55Å; Y69-E101 VanDerWaalsContact CZ-O 3.31Å; Y69-E101 PolarHBondContact OH-O 3.44Å; Y69-P103 HydrophobicContact CD2-CG 3.28Å; Y69-P103 HydrophobicContact CE2-CG 3.5Å; Y69-P103 VanDerWaalsContact CE2-CG 3.5Å; Y69-P103 HydrophobicContact CG-CG 4.02Å; Y69-D178 HydrophobicContact CE1-CB 4.31Å; Y69-I437 WeakPolarHBondContact O-CD1 3.25Å
70	F	86.9	Confident	89	Confident	7 Å²	7	38 Å²	38	3%	0.031	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	126.3	-175.5	-174.8	-111.8	0	0	0	111.1	V72 V177 L179 L392 L396 T434 I437 S438	F70-V72 HydrophobicContact CD1-CB 3.97Å; F70-V72 HydrophobicContact CD1-CG1 4.29Å; F70-V72 HydrophobicContact CE1-CB 3.81Å; F70-V72 HydrophobicContact CE1-CG2 4.14Å; F70-V177 PolarHBondContact N-O 3.16Å; F70-V177 PolarHBondContact O-N 3.22Å; F70-L179 HydrophobicContact CB-CD1 3.99Å; F70-L179 HydrophobicContact CB-CD2 4.11Å; F70-L179 HydrophobicContact CB-CG 3.99Å; F70-L392 HydrophobicContact CD1-CD1 3.99Å; F70-L392 HydrophobicContact CE1-CD1 4.45Å; F70-L396 HydrophobicContact CD1-CD1 4.29Å; F70-L396 HydrophobicContact CD2-CD1 4.41Å; F70-L396 HydrophobicContact CE1-CB 4.25Å; F70-L396 HydrophobicContact CE1-CD1 4.46Å; F70-L396 HydrophobicContact CG-CD1 4.25Å; F70-L396 HydrophobicContact CZ-CB 4.35Å; F70-T434 HydrophobicContact CE2-CG2 4.47Å; F70-I437 HydrophobicContact CD2-CB 4.35Å; F70-I437 HydrophobicContact CD2-CG2 3.75Å; F70-I437 HydrophobicContact CE2-CG2 4.5Å; F70-S438 WeakPolarHBondContact CE2-OG 3.37Å
71	E	84.7	Confident	88.5	Confident	52 Å²	52	37.2 Å²	37.2	24%	0.243	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	127.7	177.8	-167.8	177.3	-133.5	0	0	110.2	M174 I175 Y176	E71-M174 HydrophobicContact CG-CB 4.24Å; E71-M174 HydrophobicContact CG-CE 3.72Å; E71-I175 WeakPolarHBondContact CA-O 3.23Å; E71-Y176 HydrophobicContact CB-CD1 4.14Å; E71-Y176 HydrophobicContact CB-CE1 3.74Å; E71-Y176 HydrophobicContact CB-CE2 4.44Å; E71-Y176 VanDerWaalsContact CD-OH 3.29Å; E71-Y176 HydrophobicContact CG-CE1 4.25Å; E71-Y176 HydrophobicContact CG-CE2 4.06Å; E71-Y176 WeakPolarHBondContact OE1-CE2 3.09Å; E71-Y176 PolarHBondContact OE1-OH 3.42Å; E71-Y176 PolarHBondContact OE2-OH 2.67Å
72	V	86	Confident	87.6	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	150.1	-173.5	62.6	0	0	0	0	112.1	F70 L74 D167 M174 I175 V177 L392 K395	F70-V72 HydrophobicContact CD1-CB 3.97Å; F70-V72 HydrophobicContact CD1-CG1 4.29Å; F70-V72 HydrophobicContact CE1-CB 3.81Å; F70-V72 HydrophobicContact CE1-CG2 4.14Å; V72-L74 HydrophobicContact CG1-CD2 4.26Å; V72-L74 HydrophobicContact CG1-CG 4.03Å; V72-L74 HydrophobicContact CG2-CD2 3.9Å; V72-L74 HydrophobicContact CG2-CG 4.37Å; V72-D167 WeakPolarHBondContact CG2-OD2 3.48Å; V72-M174 VanDerWaalsContact C-SD 3.57Å; V72-I175 PolarHBondContact N-O 3.45Å; V72-I175 WeakPolarHBondContact O-CG1 3.02Å; V72-I175 PolarHBondContact O-N 3.09Å; V72-V177 HydrophobicContact CG1-CG2 3.76Å; V72-L392 HydrophobicContact CG1-CD1 3.81Å; V72-K395 HydrophobicContact CG2-CD 3.79Å
73	N	87.4	Confident	86.1	Confident	3 Å²	3	47.8 Å²	47.8	2%	0.016	25%	0.247	C	C	.	.			trans	-101.2	103.4	169	-171.9	-28.3	0	0	0	110.2	E75 R76 D167 S171 M174 K395	N73-E75 WeakPolarHBondContact OD1-CA 3.39Å; N73-E75 PolarHBondContact OD1-N 3.24Å; N73-R76 PolarHBondContact OD1-N 2.88Å; N73-D167 HydrophobicContact CB-CB 3.85Å; N73-D167 PolarHBondContact N-OD2 2.69Å; N73-S171 PolarHBondContact ND2-OG 3.3Å; N73-M174 HydrophobicContact CB-SD 3.62Å; N73-M174 PolarHBondContact N-SD 3.24Å; N73-M174 VanDerWaalsContact N-SD 3.44Å; N73-K395 PolarHBondContact O-NZ 3.27Å
74	L	85.3	Confident	84.6	Confident	24 Å²	24	45.5 Å²	45.5	13%	0.126	24%	0.239	C	C	.	.	S	Bend	trans	-89.6	-3.8	175.5	-61.7	179.9	0	0	0	113.4	V72 V94 I175 R391 L392	V72-L74 HydrophobicContact CG1-CD2 4.26Å; V72-L74 HydrophobicContact CG1-CG 4.03Å; V72-L74 HydrophobicContact CG2-CD2 3.9Å; V72-L74 HydrophobicContact CG2-CG 4.37Å; L74-V94 HydrophobicContact CD1-CB 3.91Å; L74-V94 HydrophobicContact CD1-CG1 4Å; L74-V94 HydrophobicContact CD1-CG2 3.78Å; L74-I175 HydrophobicContact CD1-CD1 4.38Å; L74-R391 HydrophobicContact CD2-CB 4.43Å; L74-R391 HydrophobicContact CD2-CG 4.04Å; L74-R391 PolarHBondContact O-NH1 3.17Å; L74-L392 HydrophobicContact CD2-CB 4.17Å
75	E	83.7	Confident	83.1	Confident	118 Å²	118	48.1 Å²	48.1	55%	0.551	25%	0.25	S	S	*	.			trans	-96.8	-16.3	-177.9	-67.7	-160.3	166.1	0	0	114.3	N73 G77 K173	N73-E75 WeakPolarHBondContact OD1-CA 3.39Å; N73-E75 PolarHBondContact OD1-N 3.24Å; E75-G77 PolarHBondContact O-N 2.85Å; E75-K173 HydrophobicContact CB-CB 4.49Å; E75-K173 HydrophobicContact CB-CD 4.21Å; E75-K173 WeakPolarHBondContact OE2-CD 3.37Å; E75-K173 IonicContact OE2-NZ 2.72Å; E75-K173 PolarHBondContact OE2-NZ 3.3Å
76	R	84	Confident	81.9	Confident	54 Å²	54	55.9 Å²	55.9	20%	0.204	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-48.1	135.8	178.5	-177.3	-179.1	-80.5	-176.2	-7.7	110.5	N73 K85 P166 D167 D383 R391	N73-R76 PolarHBondContact OD1-N 2.88Å; R76-K85 PolarHBondContact O-NZ 2.98Å; R76-P166 PolarHBondContact NH1-O 3.37Å; R76-P166 PolarHBondContact NH2-O 2.88Å; R76-D167 IonicContact CZ-OD1 3.99Å; R76-D167 IonicContact NE-OD1 3.99Å; R76-D167 IonicContact NH1-OD1 2.91Å; R76-D167 PolarHBondContact NH1-OD1 3.01Å; R76-D167 IonicContact NH2-OD1 2.81Å; R76-D383 WeakPolarHBondContact CD-OD2 3.42Å; R76-R391 VanDerWaalsContact O-CZ 3.27Å; R76-R391 PolarHBondContact O-NH1 3.1Å; R76-R391 PolarHBondContact O-NH2 3.14Å
77	G	85	Confident	81	Confident	42 Å²	42	56.2 Å²	56.2	43%	0.433	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-72.3	154.9	-179.2	0	0	0	0	0	112	E75 P79	E75-G77 PolarHBondContact O-N 2.85Å; G77-P79 WeakPolarHBondContact O-CD 3.27Å
78	C	87.5	Confident	79.5	Confident	18 Å²	18	62 Å²	62	12%	0.122	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-69.4	125	169.2	176.5	0	0	0	0	109.7	F80 F81 C384	C78-F80 VanDerWaalsContact C-N 3.29Å; C78-F80 PolarHBondContact O-N 3.46Å; C78-F81 WeakPolarHBondContact CB-O 2.93Å; C78-F81 PolarHBondContact SG-N 3.49Å; C78-F81 PolarHBondContact SG-O 3.03Å; C78-F81 VanDerWaalsContact SG-O 3.35Å; C78-C384 VanDerWaalsContact CA-SG 3.57Å; C78-C384 HydrophobicContact CB-CB 3.79Å; C78-C384 WeakPolarHBondContact CB-SG 3.33Å; C78-C384 WeakPolarHBondContact SG-CB 3.46Å; C78-C384 CovalentContact SG-SG 2.03Å; C78-C384 PolarHBondContact SG-SG 3.19Å
79	P	87.2	Confident	78.5	Confident	81 Å²	81	63.6 Å²	63.6	53%	0.526	33%	0.33	S	S	.	.	S	Bend	trans	-79.4	-8	179.7	30.1	-34.2	0	0	0	114.2	G77 R380	G77-P79 WeakPolarHBondContact O-CD 3.27Å; P79-R380 HydrophobicContact CG-CB 4.25Å
80	F	88.2	Confident	77.9	Confident	97 Å²	97	67 Å²	67	43%	0.425	36%	0.357	S	S	.	.	S	Bend	trans	-107	-28.5	-170.4	-58.8	-68.4	0	0	0	114.7	C78 M200 R380 I381	C78-F80 VanDerWaalsContact C-N 3.29Å; C78-F80 PolarHBondContact O-N 3.46Å; F80-M200 HydrophobicContact CB-CE 3.65Å; F80-M200 HydrophobicContact CD1-CE 4.19Å; F80-M200 HydrophobicContact CD2-CE 3.52Å; F80-M200 HydrophobicContact CE2-CE 4.2Å; F80-M200 HydrophobicContact CG-CE 3.52Å; F80-R380 HydrophobicContact CE2-CB 3.88Å; F80-R380 HydrophobicContact CZ-CB 3.95Å; F80-I381 HydrophobicContact CD2-CG1 4.26Å; F80-I381 HydrophobicContact CE2-CB 4.35Å; F80-I381 HydrophobicContact CE2-CG1 3.58Å; F80-I381 HydrophobicContact CZ-CG1 4.13Å
81	F	85.6	Confident	77.3	Confident	47 Å²	47	69 Å²	69	21%	0.206	37%	0.368	C	S	.	.	S	Bend	trans	-160.4	160.5	-178.6	53.4	-94.9	0	0	0	110.9	C78 I197 M200 C384	C78-F81 WeakPolarHBondContact CB-O 2.93Å; C78-F81 PolarHBondContact SG-N 3.49Å; C78-F81 PolarHBondContact SG-O 3.03Å; C78-F81 VanDerWaalsContact SG-O 3.35Å; F81-I197 HydrophobicContact CZ-CD1 3.92Å; F81-M200 HydrophobicContact CD1-CE 4.46Å; F81-M200 HydrophobicContact CD1-SD 4.29Å; F81-M200 HydrophobicContact CE1-CE 4.11Å; F81-M200 HydrophobicContact CE1-SD 3.6Å; F81-M200 VanDerWaalsContact CE1-SD 3.6Å; F81-C384 HydrophobicContact CE1-CB 3.88Å; F81-C384 HydrophobicContact CE2-CB 4.21Å; F81-C384 HydrophobicContact CZ-CB 3.52Å
82	D	80.4	Confident	77.1	Confident	153 Å²	153	66.8 Å²	66.8	82%	0.818	36%	0.358	S	S	*	.			trans	-65.4	140.1	179.4	-65.2	-39.3	0	0	0	112	D84	D82-D84 PolarHBondContact O-N 3.01Å
83	D	64.9	Low	77.1	Confident	78 Å²	78	73.6 Å²	73.6	42%	0.417	38%	0.383	S	S	.	.			trans	-60.4	114.3	-167.1	-85.1	-26.4	0	0	0	113.5	K85	D83-K85 HydrophobicContact CB-CB 4.26Å; D83-K85 HydrophobicContact CB-CD 4.08Å; D83-K85 HydrophobicContact CB-CG 3.91Å; D83-K85 PolarHBondContact O-N 2.85Å; D83-K85 VanDerWaalsContact OD1-CE 3.26Å; D83-K85 WeakPolarHBondContact OD1-CE 3.5Å; D83-K85 IonicContact OD1-NZ 3.46Å; D83-K85 VanDerWaalsContact OD2-CD 3.32Å; D83-K85 WeakPolarHBondContact OD2-CD 3.34Å; D83-K85 WeakPolarHBondContact OD2-CE 3.45Å; D83-K85 IonicContact OD2-NZ 3.92Å; D83-K85 PolarHBondContact OD2-NZ 2.94Å
84	D	62.4	Low	76.9	Confident	73 Å²	73	74 Å²	74	39%	0.39	39%	0.386	S	S	.	.			trans	-82.9	30.3	161.5	-77.5	-42.7	0	0	0	111.2	D82 R86 R196	D82-D84 PolarHBondContact O-N 3.01Å; D84-R86 VanDerWaalsContact C-N 3.28Å; D84-R86 PolarHBondContact O-N 2.75Å; D84-R196 IonicContact OD2-CZ 3.84Å; D84-R196 IonicContact OD2-NH1 3.44Å; D84-R196 PolarHBondContact OD2-NH1 3.44Å; D84-R196 IonicContact OD2-NH2 3.23Å
85	K	61	Low	76.5	Confident	83 Å²	83	79.6 Å²	79.6	36%	0.361	41%	0.41	S	S	.	.			trans	-65.5	83.2	-175.4	-74.9	178.4	-177	155.4	0	111.1	R76 D83	R76-K85 PolarHBondContact O-NZ 2.98Å; D83-K85 HydrophobicContact CB-CB 4.26Å; D83-K85 HydrophobicContact CB-CD 4.08Å; D83-K85 HydrophobicContact CB-CG 3.91Å; D83-K85 PolarHBondContact O-N 2.85Å; D83-K85 VanDerWaalsContact OD1-CE 3.26Å; D83-K85 WeakPolarHBondContact OD1-CE 3.5Å; D83-K85 IonicContact OD1-NZ 3.46Å; D83-K85 VanDerWaalsContact OD2-CD 3.32Å; D83-K85 WeakPolarHBondContact OD2-CD 3.34Å; D83-K85 WeakPolarHBondContact OD2-CE 3.45Å; D83-K85 IonicContact OD2-NZ 3.92Å; D83-K85 PolarHBondContact OD2-NZ 2.94Å
86	R	63.9	Low	75.9	Confident	202 Å²	202	79.4 Å²	79.4	76%	0.762	41%	0.412	S	S	*	.			trans	-118.5	102.6	173.1	-65.8	-177.8	-175.2	176.7	3.2	107.8	D84 P88	D84-R86 VanDerWaalsContact C-N 3.28Å; D84-R86 PolarHBondContact O-N 2.75Å; R86-P88 WeakPolarHBondContact O-CD 3.32Å
87	C	68.5	Low	75.3	Confident	17 Å²	17	77.6 Å²	77.6	12%	0.115	41%	0.408	C	S	.	.			trans	-108.2	74.9	169.5	-168.1	0	0	0	0	108.6	S89 C92 R93	C87-S89 VanDerWaalsContact C-N 3.32Å; C87-S89 PolarHBondContact O-N 3.25Å; C87-C92 VanDerWaalsContact CA-SG 3.52Å; C87-C92 HydrophobicContact CB-CB 4.26Å; C87-C92 WeakPolarHBondContact CB-SG 3.42Å; C87-C92 VanDerWaalsContact SG-CA 3.54Å; C87-C92 WeakPolarHBondContact SG-CB 3.14Å; C87-C92 CovalentContact SG-SG 2.03Å; C87-C92 PolarHBondContact SG-SG 3.38Å; C87-R93 VanDerWaalsContact SG-CG 3.6Å; C87-R93 PolarHBondContact SG-N 2.92Å
88	P	62.7	Low	74.7	Confident	123 Å²	123	78.3 Å²	78.3	80%	0.799	41%	0.405	S	S	*	.			trans	-73.6	-23.9	-170.7	29.5	-36.1	0	0	0	113	R86	R86-P88 WeakPolarHBondContact O-CD 3.32Å
89	S	69	Low	73.7	Confident	42 Å²	42	80.1 Å²	80.1	29%	0.294	42%	0.421	S	S	.	.	S	Bend	trans	-98.6	143.1	-179.6	175.8	0	0	0	0	111.4	C87 D91 C92	C87-S89 VanDerWaalsContact C-N 3.32Å; C87-S89 PolarHBondContact O-N 3.25Å; S89-D91 PolarHBondContact O-N 2.88Å; S89-D91 VanDerWaalsContact O-N 3.17Å; S89-D91 PolarHBondContact OG-N 2.8Å; S89-C92 PolarHBondContact O-N 2.7Å
90	S	71.6	Confident	73	Confident	94 Å²	94	82.9 Å²	82.9	66%	0.657	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-24.6	167.5	52.8	0	0	0	0	112.9	C92 R93	S90-C92 VanDerWaalsContact C-N 3.25Å; S90-C92 PolarHBondContact O-N 2.67Å; S90-R93 PolarHBondContact O-N 3.47Å
91	D	75	Confident	72.5	Confident	48 Å²	48	81.8 Å²	81.8	26%	0.257	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-23.6	177.9	-69	-46	0	0	0	113.2	S89 R185 W273 K389	S89-D91 PolarHBondContact O-N 2.88Å; S89-D91 VanDerWaalsContact O-N 3.17Å; S89-D91 PolarHBondContact OG-N 2.8Å; D91-R185 IonicContact OD1-NH2 2.85Å; D91-R185 PolarHBondContact OD1-NH2 3.15Å; D91-W273 HydrophobicContact CB-CH2 4.36Å; D91-W273 WeakPolarHBondContact OD1-CZ2 3.48Å; D91-K389 WeakPolarHBondContact O-CD 3.37Å; D91-K389 PolarHBondContact O-NZ 3.34Å
92	C	80.9	Confident	71.9	Confident	5 Å²	5	80.4 Å²	80.4	3%	0.034	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-25.9	177.3	156.3	0	0	0	0	112.4	C87 S89 S90 C387 K389	C87-C92 VanDerWaalsContact CA-SG 3.52Å; C87-C92 HydrophobicContact CB-CB 4.26Å; C87-C92 WeakPolarHBondContact CB-SG 3.42Å; C87-C92 VanDerWaalsContact SG-CA 3.54Å; C87-C92 WeakPolarHBondContact SG-CB 3.14Å; C87-C92 CovalentContact SG-SG 2.03Å; C87-C92 PolarHBondContact SG-SG 3.38Å; S89-C92 PolarHBondContact O-N 2.7Å; S90-C92 VanDerWaalsContact C-N 3.25Å; S90-C92 PolarHBondContact O-N 2.67Å; C92-C387 WeakPolarHBondContact SG-CA 3.1Å; C92-K389 WeakPolarHBondContact O-CG 3.36Å; C92-K389 PolarHBondContact O-N 3.05Å
93	R	84.2	Confident	71.5	Confident	143 Å²	143	73.6 Å²	73.6	54%	0.54	38%	0.382	S	S	.	.	S	Bend	trans	-74.8	143.4	-175.1	-66.9	-173.3	-171.9	179	-0.8	113.2	C87 S90 E388 K389	C87-R93 VanDerWaalsContact SG-CG 3.6Å; C87-R93 PolarHBondContact SG-N 2.92Å; S90-R93 PolarHBondContact O-N 3.47Å; R93-E388 WeakPolarHBondContact CA-OE2 3.46Å; R93-K389 WeakPolarHBondContact O-CE 3.28Å; R93-K389 PolarHBondContact O-NZ 2.82Å
94	V	83.3	Confident	71.8	Confident	13 Å²	13	74.4 Å²	74.4	8%	0.079	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-83.6	138.3	170.8	171.7	0	0	0	0	108.9	L74 V177 N182 E388 K389 L392	L74-V94 HydrophobicContact CD1-CB 3.91Å; L74-V94 HydrophobicContact CD1-CG1 4Å; L74-V94 HydrophobicContact CD1-CG2 3.78Å; V94-V177 HydrophobicContact CG1-CB 4.42Å; V94-V177 HydrophobicContact CG1-CG1 3.58Å; V94-V177 HydrophobicContact CG1-CG2 3.88Å; V94-N182 WeakPolarHBondContact CA-OD1 3.01Å; V94-E388 HydrophobicContact CB-CB 4.36Å; V94-E388 HydrophobicContact CG2-CB 3.83Å; V94-E388 PolarHBondContact N-OE2 2.75Å; V94-K389 HydrophobicContact CG2-CG 3.87Å; V94-L392 HydrophobicContact CG1-CD2 4.48Å; V94-L392 HydrophobicContact CG2-CB 4.25Å; V94-L392 HydrophobicContact CG2-CD2 3.99Å
95	K	77	Confident	71.9	Confident	141 Å²	141	72.6 Å²	72.6	61%	0.613	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-91.1	120	170.2	-65.6	-178.9	179.2	-177.9	0	108	N182	K95-N182 PolarHBondContact N-OD1 2.81Å; K95-N182 PolarHBondContact O-ND2 3.41Å
96	D	72.3	Confident	72.2	Confident	114 Å²	114	70.1 Å²	70.1	61%	0.61	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-64.8	148.4	176.9	-55	-25.8	0	0	0	110.7
97	C	71.5	Confident	72.1	Confident	16 Å²	16	64.3 Å²	64.3	11%	0.108	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-88	122.4	172.8	-171.6	0	0	0	0	109.2	Y69 Y176	Y69-C97 VanDerWaalsContact CE1-SG 3.55Å; C97-Y176 WeakPolarHBondContact CB-O 3.43Å; C97-Y176 PolarHBondContact N-O 3.24Å
98	P	71.9	Confident	71.6	Confident	56 Å²	56	71.7 Å²	71.7	36%	0.364	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-65.6	147.7	173.9	30.8	-35.8	0	0	0	110.2	E100 E101	P98-E100 WeakPolarHBondContact CB-OE2 3.26Å; P98-E100 PolarHBondContact O-N 3.43Å; P98-E100 VanDerWaalsContact O-N 3.07Å; P98-E101 WeakPolarHBondContact CD-OE2 3.28Å; P98-E101 HydrophobicContact CG-CB 4.07Å; P98-E101 VanDerWaalsContact CG-CD 3.47Å; P98-E101 HydrophobicContact CG-CG 3.7Å; P98-E101 PolarHBondContact O-N 3.02Å
99	A	67.4	Low	71	Confident	57 Å²	57	72.1 Å²	72.1	47%	0.471	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-28.6	-173.5	0	0	0	0	0	113.2	E101 I102	A99-E101 VanDerWaalsContact C-N 3.3Å; A99-E101 PolarHBondContact O-N 3.07Å; A99-I102 PolarHBondContact O-N 3.35Å
100	E	71.5	Confident	69.9	Low	139 Å²	139	72.2 Å²	72.2	65%	0.65	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-16.8	179.7	-54.4	79.6	-173.7	0	0	113.9	P98 R107	P98-E100 WeakPolarHBondContact CB-OE2 3.26Å; P98-E100 PolarHBondContact O-N 3.43Å; P98-E100 VanDerWaalsContact O-N 3.07Å; E100-R107 PolarHBondContact O-NH2 3.14Å
101	E	77.5	Confident	68.8	Low	74 Å²	74	70.8 Å²	70.8	35%	0.346	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-22.1	176.1	-74.2	-179.2	177.6	0	0	112.4	Y69 P98 A99 K181	Y69-E101 VanDerWaalsContact CZ-O 3.31Å; Y69-E101 PolarHBondContact OH-O 3.44Å; P98-E101 WeakPolarHBondContact CD-OE2 3.28Å; P98-E101 HydrophobicContact CG-CB 4.07Å; P98-E101 VanDerWaalsContact CG-CD 3.47Å; P98-E101 HydrophobicContact CG-CG 3.7Å; P98-E101 PolarHBondContact O-N 3.02Å; A99-E101 VanDerWaalsContact C-N 3.3Å; A99-E101 PolarHBondContact O-N 3.07Å; E101-K181 IonicContact OE1-NZ 3.66Å; E101-K181 PolarHBondContact OE1-NZ 2.92Å; E101-K181 IonicContact OE2-NZ 3.67Å; E101-K181 PolarHBondContact OE2-NZ 2.9Å
102	I	73.2	Confident	67.5	Low	18 Å²	18	78 Å²	78	9%	0.092	40%	0.399	C	S	.	.	S	Bend	trans	-60	137	178.6	-60.3	175.9	0	0	0	109.2	A99 L106 R107 Y176	A99-I102 PolarHBondContact O-N 3.35Å; I102-L106 HydrophobicContact CG2-CB 3.58Å; I102-R107 HydrophobicContact CB-CG 4.16Å; I102-R107 HydrophobicContact CG2-CG 4.18Å; I102-R107 PolarHBondContact O-NE 2.83Å; I102-R107 PolarHBondContact O-NH2 3.28Å; I102-Y176 HydrophobicContact CD1-CD2 3.91Å; I102-Y176 HydrophobicContact CD1-CG 4.01Å; I102-Y176 HydrophobicContact CG1-CG 4.44Å; I102-Y176 HydrophobicContact CG2-CG 4.5Å
103	P	71.1	Confident	65.8	Low	9 Å²	9	82.9 Å²	82.9	6%	0.058	43%	0.433	C	S	.	.			trans	-57.3	144.7	176.5	-26.7	34.6	0	0	0	112.2	D65 Y69 G105 L106 R107 T324	D65-P103 HydrophobicContact CB-CG 4.11Å; Y69-P103 HydrophobicContact CD2-CG 3.28Å; Y69-P103 HydrophobicContact CE2-CG 3.5Å; Y69-P103 VanDerWaalsContact CE2-CG 3.5Å; Y69-P103 HydrophobicContact CG-CG 4.02Å; P103-G105 PolarHBondContact O-N 2.83Å; P103-G105 VanDerWaalsContact O-N 3.14Å; P103-L106 HydrophobicContact CB-CD1 4.5Å; P103-L106 HydrophobicContact CG-CD1 4.29Å; P103-L106 PolarHBondContact O-N 2.93Å; P103-R107 PolarHBondContact O-N 2.95Å; P103-T324 WeakPolarHBondContact CB-O 3.08Å
104	L	71.3	Confident	63.7	Low	95 Å²	95	78 Å²	78	50%	0.497	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-53.6	-40.3	-173.5	-67.2	170.5	0	0	0	112.8	L106 R107 S110 T324	L104-L106 PolarHBondContact O-N 2.81Å; L104-L106 VanDerWaalsContact O-N 3.1Å; L104-R107 PolarHBondContact O-N 3.49Å; L104-S110 PolarHBondContact O-OG 2.98Å; L104-S110 VanDerWaalsContact O-OG 3.07Å; L104-T324 PolarHBondContact N-O 2.83Å
105	G	65.4	Low	61.8	Low	36 Å²	36	82.1 Å²	82.1	37%	0.371	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-67.3	-8	178.8	0	0	0	0	0	115.2	P103 T324	P103-G105 PolarHBondContact O-N 2.83Å; P103-G105 VanDerWaalsContact O-N 3.14Å; G105-T324 PolarHBondContact N-O 3.23Å
106	L	66.7	Low	60.1	Low	30 Å²	30	82.6 Å²	82.6	16%	0.157	45%	0.452	C	S	.	.	G	3₁₀ helix	trans	-113.8	-9.7	177.8	-63.3	175.9	0	0	0	113	I102 P103 L104 E108 Y176	I102-L106 HydrophobicContact CG2-CB 3.58Å; P103-L106 HydrophobicContact CB-CD1 4.5Å; P103-L106 HydrophobicContact CG-CD1 4.29Å; P103-L106 PolarHBondContact O-N 2.93Å; L104-L106 PolarHBondContact O-N 2.81Å; L104-L106 VanDerWaalsContact O-N 3.1Å; L106-E108 PolarHBondContact O-N 3.39Å; L106-Y176 HydrophobicContact CB-CE1 4.32Å; L106-Y176 HydrophobicContact CD1-CD1 4.37Å; L106-Y176 HydrophobicContact CD1-CE1 3.78Å; L106-Y176 HydrophobicContact CD2-CE1 4.41Å; L106-Y176 HydrophobicContact CG-CE1 4.4Å
107	R	63	Low	58.9	Low	81 Å²	81	79 Å²	79	31%	0.306	43%	0.432	S	S	.	.			trans	-71.7	128.1	178.8	-66.5	-178.6	-163.5	-166.6	-2.8	109.5	E100 I102 P103 L104 D109 S110	E100-R107 PolarHBondContact O-NH2 3.14Å; I102-R107 HydrophobicContact CB-CG 4.16Å; I102-R107 HydrophobicContact CG2-CG 4.18Å; I102-R107 PolarHBondContact O-NE 2.83Å; I102-R107 PolarHBondContact O-NH2 3.28Å; P103-R107 PolarHBondContact O-N 2.95Å; L104-R107 PolarHBondContact O-N 3.49Å; R107-D109 PolarHBondContact O-N 2.76Å; R107-S110 PolarHBondContact O-N 3.11Å; R107-S110 VanDerWaalsContact O-N 3.12Å
108	E	56.7	Low	57.8	Low	171 Å²	171	85.6 Å²	85.6	80%	0.799	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-51.4	-49.4	171.9	-70.9	-172	165.1	0	0	110	L106 S110 L111	L106-E108 PolarHBondContact O-N 3.39Å; E108-S110 PolarHBondContact O-N 2.84Å; E108-L111 WeakPolarHBondContact O-CD2 3.23Å; E108-L111 WeakPolarHBondContact O-CG 3.1Å; E108-L111 PolarHBondContact O-N 3.29Å
109	D	49.5	Very low	56.9	Low	132 Å²	132	91.1 Å²	91.1	71%	0.706	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-56.8	-10.7	179.6	-71.2	-8.9	0	0	0	116.3	R107 L111	R107-D109 PolarHBondContact O-N 2.76Å; D109-L111 WeakPolarHBondContact O-CB 3.4Å; D109-L111 PolarHBondContact O-N 2.86Å
110	S	47.3	Very low	56.2	Low	44 Å²	44	89.4 Å²	89.4	31%	0.308	46%	0.458	S	S	.	.	G	3₁₀ helix	trans	-82	3.6	170.3	-56.6	0	0	0	0	112.9	L104 R107 E108 E112 S113	L104-S110 PolarHBondContact O-OG 2.98Å; L104-S110 VanDerWaalsContact O-OG 3.07Å; R107-S110 PolarHBondContact O-N 3.11Å; R107-S110 VanDerWaalsContact O-N 3.12Å; E108-S110 PolarHBondContact O-N 2.84Å; S110-E112 PolarHBondContact O-N 3.28Å; S110-S113 PolarHBondContact O-N 3.14Å
111	L	47.8	Very low	55.4	Low	64 Å²	64	91.7 Å²	91.7	34%	0.335	47%	0.466	S	S	.	.	G	3₁₀ helix	trans	25.9	-47.5	140	-82.8	-176.3	0	0	0	119.2	E108 D109 S113 S114 H117	E108-L111 WeakPolarHBondContact O-CD2 3.23Å; E108-L111 WeakPolarHBondContact O-CG 3.1Å; E108-L111 PolarHBondContact O-N 3.29Å; D109-L111 WeakPolarHBondContact O-CB 3.4Å; D109-L111 PolarHBondContact O-N 2.86Å; L111-S113 PolarHBondContact O-N 2.94Å; L111-S114 PolarHBondContact O-N 2.98Å; L111-H117 WeakPolarHBondContact CA-CD2 3.4Å; L111-H117 WeakPolarHBondContact CB-CD2 3.29Å; L111-H117 WeakPolarHBondContact CB-NE2 3.32Å; L111-H117 WeakPolarHBondContact CD1-NE2 3.39Å; L111-H117 WeakPolarHBondContact CD2-CD2 3.18Å; L111-H117 VanDerWaalsContact CD2-NE2 3.33Å; L111-H117 WeakPolarHBondContact CD2-NE2 3.39Å; L111-H117 WeakPolarHBondContact CG-CD2 3.43Å; L111-H117 WeakPolarHBondContact CG-NE2 3.5Å; L111-H117 WeakPolarHBondContact O-CB 3.47Å; L111-H117 PolarHBondContact O-CD2 2.91Å
112	E	47.1	Very low	54.5	Low	201 Å²	201	94.9 Å²	94.9	94%	0.939	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	-59.7	-17.4	175.8	-68.1	-167.6	169	0	0	114.3	S110	S110-E112 PolarHBondContact O-N 3.28Å
113	S	45.3	Very low	53.6	Low	107 Å²	107	96 Å²	96	75%	0.748	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-114.9	-1	179.1	54.1	0	0	0	0	115.8	S110 L111	S110-S113 PolarHBondContact O-N 3.14Å; L111-S113 PolarHBondContact O-N 2.94Å
114	S	40.5	Very low	53	Low	40 Å²	40	99.6 Å²	99.6	28%	0.28	51%	0.511	S	S	.	.			trans	-75.7	133.9	176.9	-179.7	0	0	0	0	111.2	L111 H116 H117	L111-S114 PolarHBondContact O-N 2.98Å; S114-H116 PolarHBondContact O-N 3.45Å; S114-H116 PolarHBondContact OG-N 2.81Å; S114-H117 WeakPolarHBondContact O-CB 3.28Å; S114-H117 PolarHBondContact O-N 3.18Å
115	P	43.5	Very low	52.2	Low	99 Å²	99	102.9 Å²	102.9	64%	0.643	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-26	170.5	-24.7	33.4	0	0	0	113.4	K118 Y119	P115-K118 WeakPolarHBondContact O-CB 3.42Å; P115-Y119 VanDerWaalsContact O-CD2 3.28Å; P115-Y119 WeakPolarHBondContact O-CD2 3.39Å; P115-Y119 WeakPolarHBondContact O-CE2 3.43Å
116	H	41.3	Very low	51.6	Low	152 Å²	152	108.9 Å²	108.9	70%	0.704	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-29.9	176.5	-72.6	-78.9	0	0	0	113.2	S114 K118 Y119 S120	S114-H116 PolarHBondContact O-N 3.45Å; S114-H116 PolarHBondContact OG-N 2.81Å; H116-K118 PolarHBondContact O-N 3.1Å; H116-Y119 CarbonylContact O-C 3.28Å; H116-Y119 WeakPolarHBondContact O-CA 3.47Å; H116-Y119 PolarHBondContact O-N 3.05Å; H116-S120 PolarHBondContact O-N 2.98Å
117	H	46.9	Very low	50.8	Low	39 Å²	39	112.6 Å²	112.6	18%	0.181	56%	0.564	C	S	.	*	G	3₁₀ helix	trans	-64.8	-31	179	-133.6	-60	0	0	0	113.4	L111 S114 Y119 S120 A123	L111-H117 WeakPolarHBondContact CA-CD2 3.4Å; L111-H117 WeakPolarHBondContact CB-CD2 3.29Å; L111-H117 WeakPolarHBondContact CB-NE2 3.32Å; L111-H117 WeakPolarHBondContact CD1-NE2 3.39Å; L111-H117 WeakPolarHBondContact CD2-CD2 3.18Å; L111-H117 VanDerWaalsContact CD2-NE2 3.33Å; L111-H117 WeakPolarHBondContact CD2-NE2 3.39Å; L111-H117 WeakPolarHBondContact CG-CD2 3.43Å; L111-H117 WeakPolarHBondContact CG-NE2 3.5Å; L111-H117 WeakPolarHBondContact O-CB 3.47Å; L111-H117 PolarHBondContact O-CD2 2.91Å; S114-H117 WeakPolarHBondContact O-CB 3.28Å; S114-H117 PolarHBondContact O-N 3.18Å; H117-Y119 PolarHBondContact O-N 3.31Å; H117-S120 PolarHBondContact CE1-OG 3.25Å; H117-S120 VanDerWaalsContact CE1-OG 3.3Å; H117-S120 PolarHBondContact ND1-OG 3.36Å; H117-S120 WeakPolarHBondContact O-CB 3.39Å; H117-S120 PolarHBondContact O-N 3.48Å; H117-S120 PolarHBondContact O-OG 3.24Å; H117-A123 WeakPolarHBondContact O-CB 3.37Å
118	K	47.7	Very low	50.2	Low	154 Å²	154	118.6 Å²	118.6	67%	0.67	60%	0.596	S	S	*	*	G	3₁₀ helix	trans	-53.1	-21.7	171.7	-153.8	179.6	-176.6	-177.4	0	112.1	P115 H116 N124	P115-K118 WeakPolarHBondContact O-CB 3.42Å; H116-K118 PolarHBondContact O-N 3.1Å; K118-N124 PolarHBondContact O-ND2 3.07Å
119	Y	54.3	Low	50	Low	171 Å²	171	114.2 Å²	114.2	67%	0.671	60%	0.596	S	S	*	*	G	3₁₀ helix	trans	-115.5	2.9	180	-51.1	-70.8	0	0	0	114.3	P115 H116 H117 N124	P115-Y119 VanDerWaalsContact O-CD2 3.28Å; P115-Y119 WeakPolarHBondContact O-CD2 3.39Å; P115-Y119 WeakPolarHBondContact O-CE2 3.43Å; H116-Y119 CarbonylContact O-C 3.28Å; H116-Y119 WeakPolarHBondContact O-CA 3.47Å; H116-Y119 PolarHBondContact O-N 3.05Å; H117-Y119 PolarHBondContact O-N 3.31Å; Y119-N124 WeakPolarHBondContact CA-ND2 3.14Å; Y119-N124 PolarHBondContact O-ND2 2.67Å
120	S	51.2	Low	49.9	Very low	22 Å²	22	114.2 Å²	114.2	15%	0.154	60%	0.595	C	S	.	*	S	Bend	trans	-62.7	154.8	173.5	67.1	0	0	0	0	111.4	H116 H117 E122 A123 N124	H116-S120 PolarHBondContact O-N 2.98Å; H117-S120 PolarHBondContact CE1-OG 3.25Å; H117-S120 VanDerWaalsContact CE1-OG 3.3Å; H117-S120 PolarHBondContact ND1-OG 3.36Å; H117-S120 WeakPolarHBondContact O-CB 3.39Å; H117-S120 PolarHBondContact O-N 3.48Å; H117-S120 PolarHBondContact O-OG 3.24Å; S120-E122 VanDerWaalsContact C-N 3.29Å; S120-E122 WeakPolarHBondContact CB-OE2 3.38Å; S120-E122 PolarHBondContact O-N 2.98Å; S120-A123 WeakPolarHBondContact OG-CB 3.47Å; S120-A123 PolarHBondContact OG-N 3.29Å; S120-N124 WeakPolarHBondContact O-CB 3.37Å; S120-N124 PolarHBondContact O-N 3.39Å; S120-N124 PolarHBondContact O-ND2 2.83Å
121	K	55.1	Low	49.8	Very low	187 Å²	187	119.2 Å²	119.2	81%	0.813	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	-36.1	177.1	-83.7	-173.7	178.1	178	0	111.2	N124 M125	K121-N124 CarbonylContact O-C 3.57Å; K121-N124 PolarHBondContact O-N 3.02Å; K121-M125 PolarHBondContact O-N 3.28Å
122	E	59.7	Low	49.8	Very low	140 Å²	140	121.5 Å²	121.5	65%	0.654	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.7	-44.3	-179.7	-57.2	77.5	-158.3	0	0	111	S120 N124 M125	S120-E122 VanDerWaalsContact C-N 3.29Å; S120-E122 WeakPolarHBondContact CB-OE2 3.38Å; S120-E122 PolarHBondContact O-N 2.98Å; E122-N124 VanDerWaalsContact C-N 3.28Å; E122-N124 PolarHBondContact O-N 3.1Å; E122-M125 WeakPolarHBondContact O-CB 3.49Å; E122-M125 PolarHBondContact O-N 2.98Å
123	A	54.3	Low	49.8	Very low	42 Å²	42	114.8 Å²	114.8	35%	0.347	62%	0.623	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.7	-21.6	177.9	0	0	0	0	0	113.6	H117 S120 Y126	H117-A123 WeakPolarHBondContact O-CB 3.37Å; S120-A123 WeakPolarHBondContact OG-CB 3.47Å; S120-A123 PolarHBondContact OG-N 3.29Å; A123-Y126 WeakPolarHBondContact O-CE2 3.35Å
124	N	58.2	Low	49.8	Very low	85 Å²	85	117.8 Å²	117.8	46%	0.455	63%	0.63	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.9	6.3	176.2	-73	-54	0	0	0	113.4	K118 Y119 S120 K121 E122 Y126	K118-N124 PolarHBondContact O-ND2 3.07Å; Y119-N124 WeakPolarHBondContact CA-ND2 3.14Å; Y119-N124 PolarHBondContact O-ND2 2.67Å; S120-N124 WeakPolarHBondContact O-CB 3.37Å; S120-N124 PolarHBondContact O-N 3.39Å; S120-N124 PolarHBondContact O-ND2 2.83Å; K121-N124 CarbonylContact O-C 3.57Å; K121-N124 PolarHBondContact O-N 3.02Å; E122-N124 VanDerWaalsContact C-N 3.28Å; E122-N124 PolarHBondContact O-N 3.1Å; N124-Y126 PolarHBondContact O-N 2.98Å
125	M	53.5	Low	49.7	Very low	163 Å²	163	119 Å²	119	80%	0.803	65%	0.649	S	S	*	*			trans	-79.1	69.2	175.8	-158.6	158.6	75.4	0	0	109.9	K121 E122	K121-M125 PolarHBondContact O-N 3.28Å; E122-M125 WeakPolarHBondContact O-CB 3.49Å; E122-M125 PolarHBondContact O-N 2.98Å
126	Y	53.6	Low	49.8	Very low	163 Å²	163	124.2 Å²	124.2	64%	0.639	66%	0.661	S	S	*	*			trans	-81.4	147.3	170.8	-70.5	-83	0	0	0	110.4	A123 N124 E128	A123-Y126 WeakPolarHBondContact O-CE2 3.35Å; N124-Y126 PolarHBondContact O-N 2.98Å; Y126-E128 PolarHBondContact O-N 2.58Å
127	P	51.1	Low	49.9	Very low	107 Å²	107	124.5 Å²	124.5	70%	0.695	67%	0.667	S	S	*	*			trans	-52.6	135.4	176.4	-23.4	32.7	0	0	0	111.4	G129	P127-G129 PolarHBondContact O-N 3.49Å; P127-G129 VanDerWaalsContact O-N 3.17Å
128	E	49.5	Very low	50	Low	207 Å²	207	128.4 Å²	128.4	97%	0.967	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-44.9	118.9	177.3	-63.3	-178.9	165.1	0	0	111	Y126	Y126-E128 PolarHBondContact O-N 2.58Å
129	G	52	Low	50.1	Low	79 Å²	79	126.7 Å²	126.7	81%	0.814	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	142.2	-0.2	172	0	0	0	0	0	117.7	P127	P127-G129 PolarHBondContact O-N 3.49Å; P127-G129 VanDerWaalsContact O-N 3.17Å
130	I	47.8	Very low	50.2	Low	132 Å²	132	122.1 Å²	122.1	68%	0.677	69%	0.689	S	S	*	*	S	Bend	trans	-100.4	111.8	175.2	-57	173.1	0	0	0	109.3	C132	I130-C132 PolarHBondContact O-N 2.9Å; I130-C132 VanDerWaalsContact O-N 3.16Å
131	D	45.7	Very low	50.3	Low	149 Å²	149	124.8 Å²	124.8	80%	0.797	70%	0.702	S	S	*	*			trans	-43.9	110.1	176.8	-179.1	14.1	0	0	0	112.4	G133	D131-G133 PolarHBondContact O-N 3.05Å; D131-G133 PolarHBondContact OD1-N 2.64Å
132	C	46.4	Very low	51	Low	113 Å²	113	118.7 Å²	118.7	76%	0.764	68%	0.682	S	S	*	*			trans	-74.2	26	-176.3	-30.4	0	0	0	0	113	I130 L134 G135	I130-C132 PolarHBondContact O-N 2.9Å; I130-C132 VanDerWaalsContact O-N 3.16Å; C132-L134 PolarHBondContact O-N 3.24Å; C132-G135 PolarHBondContact O-N 3.2Å
133	G	47.5	Very low	51.5	Low	59 Å²	59	118.1 Å²	118.1	61%	0.608	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.6	-12.1	-171.7	0	0	0	0	0	115.7	D131	D131-G133 PolarHBondContact O-N 3.05Å; D131-G133 PolarHBondContact OD1-N 2.64Å
134	L	45.2	Very low	52.2	Low	171 Å²	171	123 Å²	123	90%	0.895	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	-0.6	176.7	-65.9	172.8	0	0	0	114.2	C132	C132-L134 PolarHBondContact O-N 3.24Å
135	G	40.1	Very low	52	Low	65 Å²	65	126.4 Å²	126.4	67%	0.67	70%	0.702	S	S	*	*			trans	-91.8	-10.2	-171.6	0	0	0	0	0	116.8	C132 L137	C132-G135 PolarHBondContact O-N 3.2Å; G135-L137 VanDerWaalsContact C-N 3.35Å; G135-L137 PolarHBondContact O-N 2.83Å; G135-L137 VanDerWaalsContact O-N 3.14Å
136	K	44	Very low	52.1	Low	209 Å²	209	123.3 Å²	123.3	91%	0.909	68%	0.684	S	S	*	*			trans	-87.4	74.6	175.8	-88.4	-176.5	175.8	176.5	0	110.3
137	L	43.5	Very low	52.5	Low	157 Å²	157	119.5 Å²	119.5	82%	0.822	68%	0.678	S	S	*	*			trans	-77.7	123.6	161.9	-113.3	97.7	0	0	0	108.7	G135 S139	G135-L137 VanDerWaalsContact C-N 3.35Å; G135-L137 PolarHBondContact O-N 2.83Å; G135-L137 VanDerWaalsContact O-N 3.14Å; L137-S139 PolarHBondContact O-N 3.47Å; L137-S139 VanDerWaalsContact O-N 3.17Å
138	D	48.7	Very low	52.9	Low	122 Å²	122	118 Å²	118	65%	0.652	66%	0.663	S	S	*	*			trans	-63.1	112.2	167.8	-173.6	-6.6	0	0	0	108.8	S140	D138-S140 PolarHBondContact O-N 3.47Å; D138-S140 WeakPolarHBondContact OD1-CB 3.39Å; D138-S140 PolarHBondContact OD1-N 3.43Å; D138-S140 PolarHBondContact OD1-OG 2.8Å; D138-S140 PolarHBondContact OD2-OG 3.11Å; D138-S140 VanDerWaalsContact OD2-OG 3.12Å
139	S	51.5	Low	53.2	Low	117 Å²	117	111.7 Å²	111.7	82%	0.818	64%	0.635	S	S	*	*			trans	-80.5	0.8	178	60.3	0	0	0	0	112.7	L137 L141	L137-S139 PolarHBondContact O-N 3.47Å; L137-S139 VanDerWaalsContact O-N 3.17Å; S139-L141 PolarHBondContact O-N 2.97Å
140	S	55.6	Low	53.3	Low	75 Å²	75	110.8 Å²	110.8	52%	0.524	62%	0.62	S	S	.	*			trans	-75.5	109.2	173.7	75.3	0	0	0	0	109.9	D138	D138-S140 PolarHBondContact O-N 3.47Å; D138-S140 WeakPolarHBondContact OD1-CB 3.39Å; D138-S140 PolarHBondContact OD1-N 3.43Å; D138-S140 PolarHBondContact OD1-OG 2.8Å; D138-S140 PolarHBondContact OD2-OG 3.11Å; D138-S140 VanDerWaalsContact OD2-OG 3.12Å
141	L	53.9	Low	53.7	Low	79 Å²	79	108.2 Å²	108.2	41%	0.414	61%	0.608	S	S	.	*			trans	-81.8	122.6	166.9	-70.6	165.7	0	0	0	107.8	S139 R145 K146 I149	S139-L141 PolarHBondContact O-N 2.97Å; L141-R145 HydrophobicContact CD2-CB 3.99Å; L141-K146 HydrophobicContact CB-CG 3.79Å; L141-K146 HydrophobicContact CD1-CG 4.47Å; L141-K146 WeakPolarHBondContact O-CE 3.28Å; L141-I149 HydrophobicContact CD1-CD1 3.94Å; L141-I149 HydrophobicContact CD2-CD1 3.93Å
142	S	68.9	Low	54	Low	58 Å²	58	109 Å²	109	41%	0.406	60%	0.6	S	S	.	*			trans	-57.8	151.5	166.1	66.6	0	0	0	0	109.7	E144 R145 K146	S142-E144 PolarHBondContact O-N 3.25Å; S142-E144 VanDerWaalsContact O-N 3.14Å; S142-R145 PolarHBondContact O-N 3.12Å; S142-R145 PolarHBondContact OG-N 2.84Å; S142-K146 PolarHBondContact O-N 2.93Å
143	E	71.6	Confident	54.2	Low	128 Å²	128	106.5 Å²	106.5	60%	0.598	58%	0.581	S	S	*	*	H	α-helix	trans	-55.5	-32.4	176	-72.5	-56.2	123.6	0	0	111.9	K146 T147	E143-K146 PolarHBondContact O-N 3.4Å; E143-K146 WeakPolarHBondContact OE1-CD 3.35Å; E143-K146 WeakPolarHBondContact OE1-CE 3.44Å; E143-K146 IonicContact OE1-NZ 2.72Å; E143-K146 PolarHBondContact OE1-NZ 3.14Å; E143-T147 WeakPolarHBondContact O-CG2 3.41Å; E143-T147 PolarHBondContact O-N 2.87Å; E143-T147 PolarHBondContact O-OG1 3.35Å
144	E	67.5	Low	54.5	Low	146 Å²	146	109.3 Å²	109.3	68%	0.682	57%	0.573	S	S	*	*	H	α-helix	trans	-65.8	-37.1	174.9	-161.4	174.4	-155.5	0	0	113.1	S142 T147 I148	S142-E144 PolarHBondContact O-N 3.25Å; S142-E144 VanDerWaalsContact O-N 3.14Å; E144-T147 WeakPolarHBondContact CA-OG1 3.48Å; E144-T147 PolarHBondContact O-OG1 2.7Å; E144-I148 WeakPolarHBondContact O-CD1 3.46Å; E144-I148 WeakPolarHBondContact O-CG1 3.08Å; E144-I148 PolarHBondContact O-N 2.81Å
145	R	54.9	Low	54.9	Low	156 Å²	156	106.6 Å²	106.6	59%	0.589	56%	0.556	S	S	*	*	H	α-helix	trans	-73.3	-35.8	172.8	-78.6	-174	-177.9	175.2	1.6	112.1	L141 S142 T147 I148 I149	L141-R145 HydrophobicContact CD2-CB 3.99Å; S142-R145 PolarHBondContact O-N 3.12Å; S142-R145 PolarHBondContact OG-N 2.84Å; R145-T147 VanDerWaalsContact C-N 3.3Å; R145-T147 PolarHBondContact O-N 3.33Å; R145-I148 PolarHBondContact O-N 3.01Å; R145-I149 WeakPolarHBondContact O-CB 3.46Å; R145-I149 VanDerWaalsContact O-CG1 3.28Å; R145-I149 WeakPolarHBondContact O-CG1 3.24Å; R145-I149 PolarHBondContact O-N 3.44Å
146	K	55.2	Low	55.3	Low	97 Å²	97	107.6 Å²	107.6	42%	0.422	55%	0.546	S	S	.	.	H	α-helix	trans	-63	-39.3	174.7	-66.6	-177.7	-168.7	164.9	0	111.2	L141 S142 E143 A150	L141-K146 HydrophobicContact CB-CG 3.79Å; L141-K146 HydrophobicContact CD1-CG 4.47Å; L141-K146 WeakPolarHBondContact O-CE 3.28Å; S142-K146 PolarHBondContact O-N 2.93Å; E143-K146 PolarHBondContact O-N 3.4Å; E143-K146 WeakPolarHBondContact OE1-CD 3.35Å; E143-K146 WeakPolarHBondContact OE1-CE 3.44Å; E143-K146 IonicContact OE1-NZ 2.72Å; E143-K146 PolarHBondContact OE1-NZ 3.14Å; K146-A150 WeakPolarHBondContact O-CB 3.37Å; K146-A150 PolarHBondContact O-N 3.2Å
147	T	62.1	Low	55.5	Low	84 Å²	84	103.3 Å²	103.3	52%	0.515	53%	0.529	S	S	.	.	H	α-helix	trans	-68.8	-37.3	174.1	51.5	0	0	0	0	112.2	E143 E144 R145 A150 N151	E143-T147 WeakPolarHBondContact O-CG2 3.41Å; E143-T147 PolarHBondContact O-N 2.87Å; E143-T147 PolarHBondContact O-OG1 3.35Å; E144-T147 WeakPolarHBondContact CA-OG1 3.48Å; E144-T147 PolarHBondContact O-OG1 2.7Å; R145-T147 VanDerWaalsContact C-N 3.3Å; R145-T147 PolarHBondContact O-N 3.33Å; T147-A150 PolarHBondContact O-N 3.31Å; T147-N151 WeakPolarHBondContact O-CB 3.43Å; T147-N151 PolarHBondContact O-N 3.48Å
148	I	60.3	Low	55.9	Low	76 Å²	76	100 Å²	100	39%	0.39	51%	0.509	S	S	.	.	H	α-helix	trans	-63.4	-47.9	173.1	-68.5	163.2	0	0	0	111.1	E144 R145 N151 W152	E144-I148 WeakPolarHBondContact O-CD1 3.46Å; E144-I148 WeakPolarHBondContact O-CG1 3.08Å; E144-I148 PolarHBondContact O-N 2.81Å; R145-I148 PolarHBondContact O-N 3.01Å; I148-N151 CarbonylContact O-C 3.52Å; I148-N151 WeakPolarHBondContact O-CA 3.14Å; I148-N151 WeakPolarHBondContact O-CB 3.29Å; I148-N151 PolarHBondContact O-N 3.21Å; I148-N151 VanDerWaalsContact O-N 3.09Å; I148-W152 HydrophobicContact CG2-CD2 4.25Å; I148-W152 HydrophobicContact CG2-CG 4.49Å; I148-W152 HydrophobicContact CG2-CZ2 4.01Å; I148-W152 PolarHBondContact O-N 3.06Å
149	I	55	Low	56	Low	73 Å²	73	97.9 Å²	97.9	37%	0.374	50%	0.498	S	S	.	.	H	α-helix	trans	-62.7	-44.6	177.3	-66.3	164.3	0	0	0	109.8	L141 R145 N151 W152 T153	L141-I149 HydrophobicContact CD1-CD1 3.94Å; L141-I149 HydrophobicContact CD2-CD1 3.93Å; R145-I149 WeakPolarHBondContact O-CB 3.46Å; R145-I149 VanDerWaalsContact O-CG1 3.28Å; R145-I149 WeakPolarHBondContact O-CG1 3.24Å; R145-I149 PolarHBondContact O-N 3.44Å; I149-N151 PolarHBondContact O-N 3.33Å; I149-W152 CarbonylContact O-C 3.59Å; I149-W152 PolarHBondContact O-N 3.47Å; I149-W152 VanDerWaalsContact O-N 3.14Å; I149-T153 WeakPolarHBondContact O-CB 2.81Å; I149-T153 PolarHBondContact O-N 3.23Å; I149-T153 PolarHBondContact O-OG1 3.22Å
150	A	54.9	Low	56.1	Low	60 Å²	60	99.6 Å²	99.6	50%	0.496	49%	0.493	S	S	.	.	H	α-helix	trans	-61.5	-33.5	174.6	0	0	0	0	0	112	K146 T147 R154	K146-A150 WeakPolarHBondContact O-CB 3.37Å; K146-A150 PolarHBondContact O-N 3.2Å; T147-A150 PolarHBondContact O-N 3.31Å; A150-R154 WeakPolarHBondContact O-CB 3.25Å; A150-R154 PolarHBondContact O-N 3.28Å
151	N	56.2	Low	56.2	Low	79 Å²	79	99 Å²	99	42%	0.422	48%	0.483	S	S	.	.	H	α-helix	trans	-71.6	-37.5	174.8	-164.3	18.5	0	0	0	111.9	T147 I148 I149 R154 H155	T147-N151 WeakPolarHBondContact O-CB 3.43Å; T147-N151 PolarHBondContact O-N 3.48Å; I148-N151 CarbonylContact O-C 3.52Å; I148-N151 WeakPolarHBondContact O-CA 3.14Å; I148-N151 WeakPolarHBondContact O-CB 3.29Å; I148-N151 PolarHBondContact O-N 3.21Å; I148-N151 VanDerWaalsContact O-N 3.09Å; I149-N151 PolarHBondContact O-N 3.33Å; N151-R154 PolarHBondContact O-N 2.92Å; N151-R154 PolarHBondContact OD1-NE 3.43Å; N151-R154 PolarHBondContact OD1-NH2 3.24Å; N151-H155 VanDerWaalsContact O-CB 3.25Å; N151-H155 WeakPolarHBondContact O-CB 3.45Å; N151-H155 PolarHBondContact O-N 3.18Å
152	W	50.4	Low	56.8	Low	165 Å²	165	96.3 Å²	96.3	63%	0.625	47%	0.47	S	S	*	.	H	α-helix	trans	-67	-50.5	171.9	-68.3	0.9	0	0	0	110.8	I148 I149 R154 H155 D156	I148-W152 HydrophobicContact CG2-CD2 4.25Å; I148-W152 HydrophobicContact CG2-CG 4.49Å; I148-W152 HydrophobicContact CG2-CZ2 4.01Å; I148-W152 PolarHBondContact O-N 3.06Å; I149-W152 CarbonylContact O-C 3.59Å; I149-W152 PolarHBondContact O-N 3.47Å; I149-W152 VanDerWaalsContact O-N 3.14Å; W152-R154 VanDerWaalsContact C-N 3.27Å; W152-R154 PolarHBondContact O-N 2.71Å; W152-H155 CarbonylContact O-C 3.53Å; W152-H155 WeakPolarHBondContact O-CA 3.42Å; W152-H155 WeakPolarHBondContact O-CB 3.26Å; W152-H155 PolarHBondContact O-N 3.21Å; W152-D156 WeakPolarHBondContact O-CB 3.47Å; W152-D156 PolarHBondContact O-N 2.96Å
153	T	52.1	Low	56.9	Low	60 Å²	60	94 Å²	94	37%	0.368	45%	0.453	S	S	.	.	H	α-helix	trans	-56	-43.3	173.4	-55.8	0	0	0	0	110.6	I149 D156 H157	I149-T153 WeakPolarHBondContact O-CB 2.81Å; I149-T153 PolarHBondContact O-N 3.23Å; I149-T153 PolarHBondContact O-OG1 3.22Å; T153-D156 PolarHBondContact O-N 3.25Å; T153-H157 WeakPolarHBondContact CG2-CE1 3.41Å; T153-H157 VanDerWaalsContact CG2-ND1 3.35Å; T153-H157 WeakPolarHBondContact CG2-ND1 3.4Å; T153-H157 VanDerWaalsContact O-CB 3.27Å; T153-H157 WeakPolarHBondContact O-CB 3.02Å; T153-H157 VanDerWaalsContact O-CG 3.27Å; T153-H157 PolarHBondContact O-N 3.17Å; T153-H157 PolarHBondContact O-ND1 3.05Å
154	R	52.6	Low	56.9	Low	119 Å²	119	88.1 Å²	88.1	45%	0.449	43%	0.426	S	S	.	.	H	α-helix	trans	-61.5	-46	173.3	-176.7	-172.5	67	79.8	9.3	111.2	A150 N151 W152 H157 E158	A150-R154 WeakPolarHBondContact O-CB 3.25Å; A150-R154 PolarHBondContact O-N 3.28Å; N151-R154 PolarHBondContact O-N 2.92Å; N151-R154 PolarHBondContact OD1-NE 3.43Å; N151-R154 PolarHBondContact OD1-NH2 3.24Å; W152-R154 VanDerWaalsContact C-N 3.27Å; W152-R154 PolarHBondContact O-N 2.71Å; R154-H157 CarbonylContact O-C 3.48Å; R154-H157 PolarHBondContact O-N 3.41Å; R154-E158 HydrophobicContact CG-CG 4.38Å; R154-E158 WeakPolarHBondContact CG-OE1 3.46Å; R154-E158 IonicContact CZ-OE1 3.68Å; R154-E158 IonicContact CZ-OE2 3.63Å; R154-E158 IonicContact NH1-OE1 2.67Å; R154-E158 PolarHBondContact NH1-OE1 2.83Å; R154-E158 IonicContact NH1-OE2 2.71Å; R154-E158 PolarHBondContact NH1-OE2 3.29Å; R154-E158 WeakPolarHBondContact O-CA 3.49Å; R154-E158 WeakPolarHBondContact O-CB 3.31Å; R154-E158 WeakPolarHBondContact O-CG 3.43Å; R154-E158 PolarHBondContact O-N 2.98Å
155	H	54.1	Low	57	Low	113 Å²	113	84 Å²	84	52%	0.523	41%	0.407	S	S	.	.	H	α-helix	trans	-62	-41.2	176.7	-177.9	-78.2	0	0	0	112	N151 W152 E158 D159	N151-H155 VanDerWaalsContact O-CB 3.25Å; N151-H155 WeakPolarHBondContact O-CB 3.45Å; N151-H155 PolarHBondContact O-N 3.18Å; W152-H155 CarbonylContact O-C 3.53Å; W152-H155 WeakPolarHBondContact O-CA 3.42Å; W152-H155 WeakPolarHBondContact O-CB 3.26Å; W152-H155 PolarHBondContact O-N 3.21Å; H155-E158 CarbonylContact O-C 3.57Å; H155-E158 WeakPolarHBondContact O-CA 3.44Å; H155-E158 WeakPolarHBondContact O-CB 3.43Å; H155-E158 PolarHBondContact O-N 3.04Å; H155-D159 PolarHBondContact O-N 2.95Å
156	D	47.5	Very low	57.6	Low	87 Å²	87	79 Å²	79	47%	0.465	40%	0.395	S	S	.	.	H	α-helix	trans	-73.8	-31.2	177.9	-60.2	-17.2	0	0	0	111.5	W152 T153 E158 D159	W152-D156 WeakPolarHBondContact O-CB 3.47Å; W152-D156 PolarHBondContact O-N 2.96Å; T153-D156 PolarHBondContact O-N 3.25Å; D156-E158 VanDerWaalsContact C-N 3.34Å; D156-D159 WeakPolarHBondContact O-CB 3.46Å; D156-D159 PolarHBondContact O-N 2.03Å
157	H	49.1	Very low	58.1	Low	118 Å²	118	76 Å²	76	55%	0.546	38%	0.383	S	S	.	.	H	α-helix	trans	-75.5	-30.5	169	-75.4	62	0	0	0	110.8	T153 R154 R376	T153-H157 WeakPolarHBondContact CG2-CE1 3.41Å; T153-H157 VanDerWaalsContact CG2-ND1 3.35Å; T153-H157 WeakPolarHBondContact CG2-ND1 3.4Å; T153-H157 VanDerWaalsContact O-CB 3.27Å; T153-H157 WeakPolarHBondContact O-CB 3.02Å; T153-H157 VanDerWaalsContact O-CG 3.27Å; T153-H157 PolarHBondContact O-N 3.17Å; T153-H157 PolarHBondContact O-ND1 3.05Å; R154-H157 CarbonylContact O-C 3.48Å; R154-H157 PolarHBondContact O-N 3.41Å; H157-R376 VanDerWaalsContact O-CZ 3.26Å; H157-R376 PolarHBondContact O-NH1 3.42Å; H157-R376 PolarHBondContact O-NH2 3.06Å
158	E	51.7	Low	58.1	Low	88 Å²	88	75.8 Å²	75.8	41%	0.411	38%	0.379	S	S	.	.	S	Bend	trans	-76.4	-3.2	167.8	-75.3	174	-170.8	0	0	112.1	R154 H155 D156 E160	R154-E158 HydrophobicContact CG-CG 4.38Å; R154-E158 WeakPolarHBondContact CG-OE1 3.46Å; R154-E158 IonicContact CZ-OE1 3.68Å; R154-E158 IonicContact CZ-OE2 3.63Å; R154-E158 IonicContact NH1-OE1 2.67Å; R154-E158 PolarHBondContact NH1-OE1 2.83Å; R154-E158 IonicContact NH1-OE2 2.71Å; R154-E158 PolarHBondContact NH1-OE2 3.29Å; R154-E158 WeakPolarHBondContact O-CA 3.49Å; R154-E158 WeakPolarHBondContact O-CB 3.31Å; R154-E158 WeakPolarHBondContact O-CG 3.43Å; R154-E158 PolarHBondContact O-N 2.98Å; H155-E158 CarbonylContact O-C 3.57Å; H155-E158 WeakPolarHBondContact O-CA 3.44Å; H155-E158 WeakPolarHBondContact O-CB 3.43Å; H155-E158 PolarHBondContact O-N 3.04Å; D156-E158 VanDerWaalsContact C-N 3.34Å; E158-E160 WeakPolarHBondContact O-CA 3.45Å; E158-E160 PolarHBondContact O-N 3.12Å
159	D	52.1	Low	58	Low	77 Å²	77	77.1 Å²	77.1	41%	0.412	39%	0.387	S	S	.	.			trans	-46.2	116.1	176.9	-109.2	-19.7	0	0	0	106	H155 D156 L161 T162	H155-D159 PolarHBondContact O-N 2.95Å; D156-D159 WeakPolarHBondContact O-CB 3.46Å; D156-D159 PolarHBondContact O-N 2.03Å; D159-L161 PolarHBondContact O-N 3.37Å; D159-T162 PolarHBondContact O-N 3.35Å; D159-T162 VanDerWaalsContact O-N 3.11Å
160	E	52.9	Low	58.1	Low	154 Å²	154	78.4 Å²	78.4	72%	0.72	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-9	-159.6	-66.8	-176.2	153.6	0	0	111.8	E158 R372	E158-E160 WeakPolarHBondContact O-CA 3.45Å; E158-E160 PolarHBondContact O-N 3.12Å; E160-R372 VanDerWaalsContact C-NH1 3.3Å; E160-R372 WeakPolarHBondContact O-CD 3.27Å; E160-R372 PolarHBondContact O-NH1 3.16Å
161	L	57.6	Low	58.2	Low	61 Å²	61	77.9 Å²	77.9	32%	0.319	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-5.5	-170.5	-53.5	175.8	0	0	0	114.3	D159 F163 K406	D159-L161 PolarHBondContact O-N 3.37Å; L161-F163 WeakPolarHBondContact O-CD2 3.29Å; L161-F163 PolarHBondContact O-N 3.14Å; L161-K406 HydrophobicContact CB-CD 4.45Å; L161-K406 HydrophobicContact CB-CG 4.22Å; L161-K406 WeakPolarHBondContact O-CD 3.28Å; L161-K406 WeakPolarHBondContact O-CE 3.35Å; L161-K406 VanDerWaalsContact O-CG 3.28Å; L161-K406 WeakPolarHBondContact O-CG 3.3Å
162	T	66.4	Low	58.4	Low	23 Å²	23	77.4 Å²	77.4	14%	0.141	41%	0.408	C	S	.	.			trans	-88.3	104.1	-178.7	-62.6	0	0	0	0	111.2	D159 C164 R372 R376	D159-T162 PolarHBondContact O-N 3.35Å; D159-T162 VanDerWaalsContact O-N 3.11Å; T162-C164 WeakPolarHBondContact CG2-O 3.43Å; T162-R372 WeakPolarHBondContact O-CD 3.35Å; T162-R372 VanDerWaalsContact O-CG 3.23Å; T162-R372 WeakPolarHBondContact O-CG 3.44Å; T162-R376 VanDerWaalsContact O-CZ 3.22Å; T162-R376 PolarHBondContact O-NE 2.9Å; T162-R376 PolarHBondContact O-NH2 3.4Å
163	F	70.1	Confident	59.5	Low	9 Å²	9	74.2 Å²	74.2	4%	0.039	40%	0.399	C	S	.	.			trans	-86.9	-20.6	179.6	-79.7	-102.3	0	0	0	114.5	L161 F371 R372 F375 R376 G402 L405 K406 F409	L161-F163 WeakPolarHBondContact O-CD2 3.29Å; L161-F163 PolarHBondContact O-N 3.14Å; F163-F371 HydrophobicContact CE1-CB 4.34Å; F163-R372 HydrophobicContact CD1-CB 4.06Å; F163-R372 HydrophobicContact CD1-CG 4.29Å; F163-R372 HydrophobicContact CD2-CG 4.43Å; F163-R372 HydrophobicContact CE1-CB 3.88Å; F163-R372 HydrophobicContact CE1-CG 4.43Å; F163-R372 HydrophobicContact CG-CG 4.27Å; F163-R372 HydrophobicContact CZ-CB 4.18Å; F163-F375 CarbonylContact O-C 3.13Å; F163-F375 WeakPolarHBondContact O-CB 3.42Å; F163-R376 WeakPolarHBondContact O-CG 3.44Å; F163-R376 PolarHBondContact O-N 3.44Å; F163-R376 VanDerWaalsContact O-N 3.14Å; F163-G402 WeakPolarHBondContact CB-O 3.47Å; F163-G402 WeakPolarHBondContact CG-O 3.39Å; F163-L405 HydrophobicContact CD1-CB 4.01Å; F163-L405 HydrophobicContact CD1-CD1 4.38Å; F163-L405 HydrophobicContact CE1-CB 3.81Å; F163-L405 HydrophobicContact CE1-CD1 4.44Å; F163-L405 HydrophobicContact CZ-CB 4.25Å; F163-K406 HydrophobicContact CD2-CB 3.68Å; F163-K406 HydrophobicContact CD2-CG 4.36Å; F163-K406 HydrophobicContact CE2-CB 3.93Å; F163-F409 HydrophobicContact CE1-CD2 4.05Å; F163-F409 HydrophobicContact CE1-CE2 4.03Å; F163-F409 HydrophobicContact CE2-CD2 4.43Å; F163-F409 AromaticContact CZ-CD2 3.51Å; F163-F409 HydrophobicContact CZ-CD2 3.51Å; F163-F409 AromaticContact CZ-CE2 3.96Å; F163-F409 HydrophobicContact CZ-CE2 3.96Å
164	C	72.3	Confident	60.8	Low	6 Å²	6	73.2 Å²	73.2	4%	0.041	39%	0.391	C	S	.	.	S	Bend	trans	-128.9	141.5	-178.8	-59.7	0	0	0	0	109.6	T162 P166 Q399	T162-C164 WeakPolarHBondContact CG2-O 3.43Å; C164-P166 VanDerWaalsContact O-CD 3.27Å; C164-P166 WeakPolarHBondContact O-CD 3.39Å; C164-Q399 HydrophobicContact CB-CG 4.5Å; C164-Q399 VanDerWaalsContact SG-CA 3.57Å
165	E	69.6	Low	62.2	Low	60 Å²	60	70.2 Å²	70.2	28%	0.28	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-70.4	116.3	175.5	-173.1	164.2	-129.8	0	0	108.2	R380	E165-R380 IonicContact OE1-CZ 3.61Å; E165-R380 IonicContact OE1-NE 2.87Å; E165-R380 PolarHBondContact OE1-NE 3.31Å; E165-R380 IonicContact OE1-NH2 2.85Å; E165-R380 PolarHBondContact OE1-NH2 3.15Å; E165-R380 WeakPolarHBondContact OE2-CG 3.49Å; E165-R380 IonicContact OE2-CZ 3.73Å; E165-R380 IonicContact OE2-NE 2.81Å; E165-R380 PolarHBondContact OE2-NE 3.41Å; E165-R380 IonicContact OE2-NH2 3.72Å
166	P	66.9	Low	63.5	Low	51 Å²	51	66.9 Å²	66.9	33%	0.331	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-60.1	149.6	177.2	-19.1	33.5	0	0	0	110.2	R76 C164	R76-P166 PolarHBondContact NH1-O 3.37Å; R76-P166 PolarHBondContact NH2-O 2.88Å; C164-P166 VanDerWaalsContact O-CD 3.27Å; C164-P166 WeakPolarHBondContact O-CD 3.39Å
167	D	67	Low	65.3	Low	33 Å²	33	62.7 Å²	62.7	18%	0.176	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-66.5	144	163.8	-74.7	-30.9	0	0	0	109	V72 N73 R76 M174 K395	V72-D167 WeakPolarHBondContact CG2-OD2 3.48Å; N73-D167 HydrophobicContact CB-CB 3.85Å; N73-D167 PolarHBondContact N-OD2 2.69Å; R76-D167 IonicContact CZ-OD1 3.99Å; R76-D167 IonicContact NE-OD1 3.99Å; R76-D167 IonicContact NH1-OD1 2.91Å; R76-D167 PolarHBondContact NH1-OD1 3.01Å; R76-D167 IonicContact NH2-OD1 2.81Å; D167-M174 HydrophobicContact CB-CE 3.64Å; D167-M174 HydrophobicContact CB-SD 3.42Å; D167-M174 WeakPolarHBondContact CB-SD 3.48Å; D167-K395 IonicContact OD1-NZ 2.67Å; D167-K395 PolarHBondContact OD1-NZ 2.79Å; D167-K395 IonicContact OD2-NZ 3.53Å; D167-K395 PolarHBondContact OD2-NZ 3.23Å; D167-K395 VanDerWaalsContact OD2-NZ 3.15Å
168	D	61.6	Low	67.2	Low	79 Å²	79	57.6 Å²	57.6	42%	0.422	32%	0.32	S	S	.	.			trans	-97.3	110.4	-170.5	178.1	13.6	0	0	0	109.3	S170 S171	D168-S170 PolarHBondContact O-N 3.3Å; D168-S170 WeakPolarHBondContact OD1-CB 3.43Å; D168-S170 PolarHBondContact OD1-N 3.26Å; D168-S170 PolarHBondContact OD1-OG 3.33Å; D168-S170 PolarHBondContact OD2-OG 3.47Å; D168-S171 PolarHBondContact O-N 2.92Å; D168-S171 PolarHBondContact O-OG 3.04Å
169	D	58.6	Low	69	Low	105 Å²	105	53.6 Å²	53.6	56%	0.561	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-60.7	-24.2	176.6	-72.1	-10.2	0	0	0	112.2	S171 G172 M174	D169-S171 PolarHBondContact O-N 2.95Å; D169-G172 PolarHBondContact O-N 3.4Å; D169-M174 WeakPolarHBondContact OD1-CE 3.4Å; D169-M174 WeakPolarHBondContact OD1-CG 3.41Å
170	S	55.6	Low	70.8	Confident	99 Å²	99	54.1 Å²	54.1	69%	0.692	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-60.5	-24.9	-176.9	84.1	0	0	0	0	113.1	D168 G172	D168-S170 PolarHBondContact O-N 3.3Å; D168-S170 WeakPolarHBondContact OD1-CB 3.43Å; D168-S170 PolarHBondContact OD1-N 3.26Å; D168-S170 PolarHBondContact OD1-OG 3.33Å; D168-S170 PolarHBondContact OD2-OG 3.47Å; S170-G172 VanDerWaalsContact C-N 3.31Å; S170-G172 PolarHBondContact O-N 2.88Å
171	S	57.3	Low	72.4	Confident	49 Å²	49	51.1 Å²	51.1	34%	0.343	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-76	-14.7	-180	66.2	0	0	0	0	114.1	N73 D168 D169 K173	N73-S171 PolarHBondContact ND2-OG 3.3Å; D168-S171 PolarHBondContact O-N 2.92Å; D168-S171 PolarHBondContact O-OG 3.04Å; D169-S171 PolarHBondContact O-N 2.95Å; S171-K173 PolarHBondContact O-N 3.28Å; S171-K173 VanDerWaalsContact O-N 3.15Å
172	G	61.1	Low	73.9	Confident	69 Å²	69	48.2 Å²	48.2	71%	0.711	27%	0.274	S	S	*	.	S	Bend	trans	62.4	14.7	-175.5	0	0	0	0	0	114.5	D169 S170	D169-G172 PolarHBondContact O-N 3.4Å; S170-G172 VanDerWaalsContact C-N 3.31Å; S170-G172 PolarHBondContact O-N 2.88Å
173	K	73.3	Confident	75	Confident	98 Å²	98	48.4 Å²	48.4	43%	0.426	28%	0.275	S	S	.	.			trans	-104.3	16	-176.8	-70.1	166.5	173.5	-106.9	0	112.8	E75 S171	E75-K173 HydrophobicContact CB-CB 4.49Å; E75-K173 HydrophobicContact CB-CD 4.21Å; E75-K173 WeakPolarHBondContact OE2-CD 3.37Å; E75-K173 IonicContact OE2-NZ 2.72Å; E75-K173 PolarHBondContact OE2-NZ 3.3Å; S171-K173 PolarHBondContact O-N 3.28Å; S171-K173 VanDerWaalsContact O-N 3.15Å
174	M	79.9	Confident	76.1	Confident	39 Å²	39	48.5 Å²	48.5	19%	0.192	28%	0.276	C	S	.	.			trans	-78.9	130.2	175.7	-70.4	-70.2	-92	0	0	108.8	E71 V72 N73 D167 D169	E71-M174 HydrophobicContact CG-CB 4.24Å; E71-M174 HydrophobicContact CG-CE 3.72Å; V72-M174 VanDerWaalsContact C-SD 3.57Å; N73-M174 HydrophobicContact CB-SD 3.62Å; N73-M174 PolarHBondContact N-SD 3.24Å; N73-M174 VanDerWaalsContact N-SD 3.44Å; D167-M174 HydrophobicContact CB-CE 3.64Å; D167-M174 HydrophobicContact CB-SD 3.42Å; D167-M174 WeakPolarHBondContact CB-SD 3.48Å; D169-M174 WeakPolarHBondContact OD1-CE 3.4Å; D169-M174 WeakPolarHBondContact OD1-CG 3.41Å
175	I	81	Confident	76.9	Confident	57 Å²	57	50.1 Å²	50.1	29%	0.292	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	145.9	177.3	61	166.8	0	0	0	109.8	E71 V72 L74 V177	E71-I175 WeakPolarHBondContact CA-O 3.23Å; V72-I175 PolarHBondContact N-O 3.45Å; V72-I175 WeakPolarHBondContact O-CG1 3.02Å; V72-I175 PolarHBondContact O-N 3.09Å; L74-I175 HydrophobicContact CD1-CD1 4.38Å; I175-V177 HydrophobicContact CD1-CG2 3.99Å; I175-V177 HydrophobicContact CG1-CG2 4.09Å
176	Y	82.7	Confident	77.9	Confident	42 Å²	42	48.9 Å²	48.9	17%	0.165	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	130.1	167.5	-78.2	-87.5	0	0	0	109.9	E71 C97 I102 L106	E71-Y176 HydrophobicContact CB-CD1 4.14Å; E71-Y176 HydrophobicContact CB-CE1 3.74Å; E71-Y176 HydrophobicContact CB-CE2 4.44Å; E71-Y176 VanDerWaalsContact CD-OH 3.29Å; E71-Y176 HydrophobicContact CG-CE1 4.25Å; E71-Y176 HydrophobicContact CG-CE2 4.06Å; E71-Y176 WeakPolarHBondContact OE1-CE2 3.09Å; E71-Y176 PolarHBondContact OE1-OH 3.42Å; E71-Y176 PolarHBondContact OE2-OH 2.67Å; C97-Y176 WeakPolarHBondContact CB-O 3.43Å; C97-Y176 PolarHBondContact N-O 3.24Å; I102-Y176 HydrophobicContact CD1-CD2 3.91Å; I102-Y176 HydrophobicContact CD1-CG 4.01Å; I102-Y176 HydrophobicContact CG1-CG 4.44Å; I102-Y176 HydrophobicContact CG2-CG 4.5Å; L106-Y176 HydrophobicContact CB-CE1 4.32Å; L106-Y176 HydrophobicContact CD1-CD1 4.37Å; L106-Y176 HydrophobicContact CD1-CE1 3.78Å; L106-Y176 HydrophobicContact CD2-CE1 4.41Å; L106-Y176 HydrophobicContact CG-CE1 4.4Å
177	V	84.9	Confident	78.8	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	131.6	177.6	-178.5	0	0	0	0	109	F70 V72 V94 I175 L179 N182 L392	F70-V177 PolarHBondContact N-O 3.16Å; F70-V177 PolarHBondContact O-N 3.22Å; V72-V177 HydrophobicContact CG1-CG2 3.76Å; V94-V177 HydrophobicContact CG1-CB 4.42Å; V94-V177 HydrophobicContact CG1-CG1 3.58Å; V94-V177 HydrophobicContact CG1-CG2 3.88Å; I175-V177 HydrophobicContact CD1-CG2 3.99Å; I175-V177 HydrophobicContact CG1-CG2 4.09Å; V177-L179 PolarHBondContact O-N 2.92Å; V177-N182 HydrophobicContact CG1-CB 4.23Å; V177-N182 VanDerWaalsContact CG1-ND2 3.35Å; V177-N182 WeakPolarHBondContact CG1-ND2 3.36Å; V177-L392 HydrophobicContact CB-CD1 4.35Å; V177-L392 HydrophobicContact CG1-CD1 4.31Å; V177-L392 HydrophobicContact CG1-CD2 3.77Å; V177-L392 HydrophobicContact CG2-CD1 4.45Å
178	D	87.9	Confident	79.7	Confident	10 Å²	10	47 Å²	47	5%	0.053	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	110.6	167.9	179.2	2.5	0	0	0	109.8	H68 Y69 L180 K181 N182	H68-D178 IonicContact CE1-OD1 2.71Å; H68-D178 IonicContact CG-OD1 3.77Å; H68-D178 IonicContact ND1-OD1 3.03Å; H68-D178 PolarHBondContact ND1-OD1 2.82Å; H68-D178 WeakPolarHBondContact O-CA 3.36Å; Y69-D178 HydrophobicContact CE1-CB 4.31Å; D178-L180 VanDerWaalsContact C-N 3.25Å; D178-L180 PolarHBondContact O-N 3.14Å; D178-L180 WeakPolarHBondContact OD1-CB 3.32Å; D178-L180 PolarHBondContact OD1-N 3.28Å; D178-K181 HydrophobicContact CB-CB 4.25Å; D178-K181 HydrophobicContact CB-CD 4.16Å; D178-K181 HydrophobicContact CB-CG 4.37Å; D178-K181 PolarHBondContact O-N 3.03Å; D178-K181 VanDerWaalsContact OD2-CD 3.27Å; D178-K181 WeakPolarHBondContact OD2-CD 3.42Å; D178-K181 WeakPolarHBondContact OD2-CE 3.42Å; D178-K181 VanDerWaalsContact OD2-CG 3.24Å; D178-K181 WeakPolarHBondContact OD2-CG 3.04Å; D178-N182 PolarHBondContact O-N 3.34Å; D178-N182 PolarHBondContact O-ND2 2.86Å
179	L	91.2	Very high	80.9	Confident	5 Å²	5	45.9 Å²	45.9	3%	0.026	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-26.2	179.5	-62.6	177.3	0	0	0	112.8	H68 F70 V177 N182 L392 W393 L396	H68-L179 HydrophobicContact CB-CB 4.36Å; H68-L179 WeakPolarHBondContact O-CG 3.47Å; H68-L179 PolarHBondContact O-N 2.87Å; F70-L179 HydrophobicContact CB-CD1 3.99Å; F70-L179 HydrophobicContact CB-CD2 4.11Å; F70-L179 HydrophobicContact CB-CG 3.99Å; V177-L179 PolarHBondContact O-N 2.92Å; L179-N182 CarbonylContact O-C 3.57Å; L179-N182 VanDerWaalsContact O-C 3.28Å; L179-N182 PolarHBondContact O-N 2.86Å; L179-L392 HydrophobicContact CD2-CD1 4.24Å; L179-L392 HydrophobicContact CD2-CD2 4.14Å; L179-L392 HydrophobicContact CD2-CG 4.29Å; L179-W393 HydrophobicContact CB-CH2 4.36Å; L179-W393 HydrophobicContact CB-CZ2 4.34Å; L179-W393 HydrophobicContact CD2-CH2 4.48Å; L179-W393 HydrophobicContact CD2-CZ2 4.33Å; L179-L396 HydrophobicContact CD1-CD1 3.42Å; L179-L396 VanDerWaalsContact CD1-CD1 3.42Å; L179-L396 HydrophobicContact CD2-CD1 3.81Å; L179-L396 HydrophobicContact CG-CD1 4.29Å
180	L	88.9	Confident	82.2	Confident	87 Å²	87	48.3 Å²	48.3	46%	0.455	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-34.7	177.3	-60.5	179.5	0	0	0	111.5	H68 D178 N182	H68-L180 HydrophobicContact CB-CD1 4.18Å; H68-L180 HydrophobicContact CB-CD2 4.35Å; H68-L180 HydrophobicContact CB-CG 3.76Å; D178-L180 VanDerWaalsContact C-N 3.25Å; D178-L180 PolarHBondContact O-N 3.14Å; D178-L180 WeakPolarHBondContact OD1-CB 3.32Å; D178-L180 PolarHBondContact OD1-N 3.28Å; L180-N182 VanDerWaalsContact C-N 3.31Å
181	K	86.2	Confident	83.6	Confident	91 Å²	91	44.9 Å²	44.9	40%	0.396	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-16.3	173.8	-71.8	175	-172.6	-175.8	0	113.1	E101 D178 P183	E101-K181 IonicContact OE1-NZ 3.66Å; E101-K181 PolarHBondContact OE1-NZ 2.92Å; E101-K181 IonicContact OE2-NZ 3.67Å; E101-K181 PolarHBondContact OE2-NZ 2.9Å; D178-K181 HydrophobicContact CB-CB 4.25Å; D178-K181 HydrophobicContact CB-CD 4.16Å; D178-K181 HydrophobicContact CB-CG 4.37Å; D178-K181 PolarHBondContact O-N 3.03Å; D178-K181 VanDerWaalsContact OD2-CD 3.27Å; D178-K181 WeakPolarHBondContact OD2-CD 3.42Å; D178-K181 WeakPolarHBondContact OD2-CE 3.42Å; D178-K181 VanDerWaalsContact OD2-CG 3.24Å; D178-K181 WeakPolarHBondContact OD2-CG 3.04Å; K181-P183 WeakPolarHBondContact O-CD 3.41Å
182	N	89.2	Confident	85	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.262	C	S	.	.	S	Bend	trans	-121.8	56	-177.9	-66.2	-73.8	0	0	0	112.3	V94 K95 V177 D178 L179 L180 L392 W393	V94-N182 WeakPolarHBondContact CA-OD1 3.01Å; K95-N182 PolarHBondContact N-OD1 2.81Å; K95-N182 PolarHBondContact O-ND2 3.41Å; V177-N182 HydrophobicContact CG1-CB 4.23Å; V177-N182 VanDerWaalsContact CG1-ND2 3.35Å; V177-N182 WeakPolarHBondContact CG1-ND2 3.36Å; D178-N182 PolarHBondContact O-N 3.34Å; D178-N182 PolarHBondContact O-ND2 2.86Å; L179-N182 CarbonylContact O-C 3.57Å; L179-N182 VanDerWaalsContact O-C 3.28Å; L179-N182 PolarHBondContact O-N 2.86Å; L180-N182 VanDerWaalsContact C-N 3.31Å; N182-L392 HydrophobicContact CB-CD2 3.95Å; N182-W393 PolarHBondContact O-NE1 3.34Å
183	P	90.7	Very high	86.2	Confident	27 Å²	27	45.7 Å²	45.7	18%	0.175	24%	0.239	C	C	.	.			trans	-67.4	150.1	-174.9	29.3	-36.4	0	0	0	112.9	K181 R185	K181-P183 WeakPolarHBondContact O-CD 3.41Å; P183-R185 PolarHBondContact O-N 2.98Å
184	E	92	Very high	86.9	Confident	12 Å²	12	41.8 Å²	41.8	6%	0.056	22%	0.224	C	C	.	.			trans	-66.8	114.3	171.5	-173	176.7	-122.2	0	0	110.2	I243 H246 W393 Q397	E184-I243 WeakPolarHBondContact OE1-CG1 3.12Å; E184-H246 HydrophobicContact CG-CB 3.98Å; E184-H246 WeakPolarHBondContact OE2-CB 3.47Å; E184-H246 IonicContact OE2-CD2 2.72Å; E184-H246 PolarHBondContact OE2-CD2 3.48Å; E184-H246 VanDerWaalsContact OE2-CD2 3.23Å; E184-H246 IonicContact OE2-CE1 2.9Å; E184-H246 IonicContact OE2-CG 2.92Å; E184-H246 IonicContact OE2-ND1 3.94Å; E184-H246 PolarHBondContact OE2-ND1 2.89Å; E184-H246 IonicContact OE2-NE2 2.72Å; E184-W393 HydrophobicContact CB-CD2 3.88Å; E184-W393 HydrophobicContact CB-CE3 4.48Å; E184-W393 HydrophobicContact CB-CG 3.97Å; E184-W393 HydrophobicContact CG-CG 4.33Å; E184-Q397 PolarHBondContact OE1-NE2 3.34Å; E184-Q397 PolarHBondContact OE1-OE1 2.88Å; E184-Q397 PolarHBondContact OE2-NE2 2.74Å
185	R	90.1	Very high	87.3	Confident	39 Å²	39	44.8 Å²	44.8	15%	0.147	24%	0.241	C	C	.	.			trans	-157.5	172.4	-177.5	67.9	-172.9	-169.6	-166.3	7.6	110.9	D91 P183 T187 L247 R250 N270 W273	D91-R185 IonicContact OD1-NH2 2.85Å; D91-R185 PolarHBondContact OD1-NH2 3.15Å; P183-R185 PolarHBondContact O-N 2.98Å; R185-T187 WeakPolarHBondContact O-CG2 3.32Å; R185-T187 PolarHBondContact O-N 2.79Å; R185-L247 WeakPolarHBondContact O-CD2 3.46Å; R185-R250 HydrophobicContact CB-CB 3.55Å; R185-R250 HydrophobicContact CB-CG 4.49Å; R185-N270 PolarHBondContact NH1-OD1 3.4Å; R185-W273 HydrophobicContact CB-CE3 4.22Å; R185-W273 HydrophobicContact CB-CZ3 4.14Å; R185-W273 HydrophobicContact CG-CE3 4.28Å; R185-W273 HydrophobicContact CG-CH2 4.07Å; R185-W273 HydrophobicContact CG-CZ3 3.9Å
186	Y	89.5	Confident	87.8	Confident	34 Å²	34	47 Å²	47	13%	0.133	25%	0.245	C	C	.	.			trans	-56.7	121.2	177.8	-174.7	-86.6	0	0	0	112	G188 R250 Y251 P252 L255 W273	Y186-G188 VanDerWaalsContact CE1-CA 3.41Å; Y186-G188 VanDerWaalsContact CE1-N 3.31Å; Y186-R250 PolarHBondContact N-O 3.04Å; Y186-Y251 HydrophobicContact CD1-CE2 4.45Å; Y186-Y251 AromaticContact CD2-CD2 3.72Å; Y186-Y251 HydrophobicContact CD2-CD2 3.72Å; Y186-Y251 AromaticContact CD2-CE2 3.48Å; Y186-Y251 HydrophobicContact CD2-CE2 3.48Å; Y186-Y251 VanDerWaalsContact CD2-CE2 3.48Å; Y186-Y251 HydrophobicContact CE1-CE2 4.48Å; Y186-Y251 HydrophobicContact CE2-CD2 4.25Å; Y186-Y251 AromaticContact CE2-CE2 3.52Å; Y186-Y251 HydrophobicContact CE2-CE2 3.52Å; Y186-Y251 AromaticContact CG-CD2 3.98Å; Y186-Y251 HydrophobicContact CG-CD2 3.98Å; Y186-Y251 AromaticContact CG-CE2 3.96Å; Y186-Y251 HydrophobicContact CG-CE2 3.96Å; Y186-P252 HydrophobicContact CD1-CG 4.05Å; Y186-L255 HydrophobicContact CE1-CD1 4.39Å; Y186-W273 WeakPolarHBondContact O-CH2 3.26Å; Y186-W273 WeakPolarHBondContact O-CZ3 3.4Å
187	T	87.3	Confident	88.2	Confident	14 Å²	14	45.3 Å²	45.3	9%	0.086	24%	0.24	C	C	.	.			trans	-107	-9.3	179.2	60.7	0	0	0	0	113.4	R185 Y189 C387 K389 C390	R185-T187 WeakPolarHBondContact O-CG2 3.32Å; R185-T187 PolarHBondContact O-N 2.79Å; T187-Y189 PolarHBondContact O-N 3.05Å; T187-Y189 WeakPolarHBondContact OG1-CB 3.4Å; T187-Y189 PolarHBondContact OG1-N 2.86Å; T187-C387 PolarHBondContact OG1-SG 3.2Å; T187-K389 HydrophobicContact CG2-CB 4.14Å; T187-C390 PolarHBondContact OG1-SG 2.58Å
188	G	85	Confident	88.5	Confident	30 Å²	30	47.8 Å²	47.8	31%	0.309	25%	0.249	S	C	.	.			trans	78.2	1.3	-170.4	0	0	0	0	0	114.8	Y186 K190	Y186-G188 VanDerWaalsContact CE1-CA 3.41Å; Y186-G188 VanDerWaalsContact CE1-N 3.31Å; G188-K190 WeakPolarHBondContact O-CG 3.41Å; G188-K190 PolarHBondContact O-N 3.11Å; G188-K190 VanDerWaalsContact O-N 3.14Å
189	Y	85.9	Confident	88.5	Confident	56 Å²	56	53 Å²	53	22%	0.22	27%	0.269	C	S	.	.			trans	-64.5	111.9	175.8	-170.6	-122.8	0	0	0	110.6	T187 A193 V385 C387	T187-Y189 PolarHBondContact O-N 3.05Å; T187-Y189 WeakPolarHBondContact OG1-CB 3.4Å; T187-Y189 PolarHBondContact OG1-N 2.86Å; Y189-A193 HydrophobicContact CE2-CB 4.36Å; Y189-V385 HydrophobicContact CE1-CG1 4.05Å; Y189-C387 HydrophobicContact CD1-CB 4.03Å; Y189-C387 HydrophobicContact CD2-CB 3.73Å; Y189-C387 HydrophobicContact CE2-CB 4.29Å; Y189-C387 HydrophobicContact CG-CB 3.59Å
190	K	85.8	Confident	88.5	Confident	156 Å²	156	54.3 Å²	54.3	68%	0.678	28%	0.275	S	S	*	.			trans	-156.8	172.9	-173.5	69.5	-171.8	177.2	-178.7	0	111.4	G188	G188-K190 WeakPolarHBondContact O-CG 3.41Å; G188-K190 PolarHBondContact O-N 3.11Å; G188-K190 VanDerWaalsContact O-N 3.14Å
191	G	85.9	Confident	88.5	Confident	28 Å²	28	50.4 Å²	50.4	29%	0.289	26%	0.255	S	S	.	.	S	Bend	trans	87.5	-162.7	174.4	0	0	0	0	0	113.4	A193 S194 N195	G191-A193 VanDerWaalsContact C-N 3.29Å; G191-A193 PolarHBondContact O-N 2.86Å; G191-S194 PolarHBondContact O-N 2.85Å; G191-N195 VanDerWaalsContact O-CG 3.32Å; G191-N195 PolarHBondContact O-N 3.4Å
192	P	87.1	Confident	88.6	Confident	108 Å²	108	47 Å²	47	70%	0.701	24%	0.24	S	C	*	.	H	α-helix	trans	-56.9	-37.3	-171.1	-27.6	35.7	0	0	0	114.4	N195 R196	P192-N195 PolarHBondContact O-N 2.83Å; P192-R196 WeakPolarHBondContact O-CB 3.42Å; P192-R196 PolarHBondContact O-N 2.88Å
193	A	86.2	Confident	88.4	Confident	27 Å²	27	50 Å²	50	22%	0.223	26%	0.255	C	S	.	.	H	α-helix	trans	-63.2	-49.7	178	0	0	0	0	0	111.9	Y189 G191 N195 R196 I197	Y189-A193 HydrophobicContact CE2-CB 4.36Å; G191-A193 VanDerWaalsContact C-N 3.29Å; G191-A193 PolarHBondContact O-N 2.86Å; A193-N195 PolarHBondContact O-N 2.99Å; A193-R196 PolarHBondContact O-N 2.88Å; A193-I197 PolarHBondContact O-N 3.44Å
194	S	88.4	Confident	88.1	Confident	15 Å²	15	50.4 Å²	50.4	11%	0.105	26%	0.255	C	S	.	.	H	α-helix	trans	-64.1	-40.4	176	175.5	0	0	0	0	112.1	G191 R196 I197 W198	G191-S194 PolarHBondContact O-N 2.85Å; S194-R196 VanDerWaalsContact C-N 3.34Å; S194-R196 PolarHBondContact O-N 2.79Å; S194-I197 PolarHBondContact O-N 3.36Å; S194-W198 PolarHBondContact O-N 3.38Å
195	N	88.6	Confident	87.1	Confident	103 Å²	103	50.9 Å²	50.9	55%	0.551	26%	0.258	S	S	*	.	H	α-helix	trans	-65	-37.1	177.9	-68.5	-12.9	0	0	0	112	G191 P192 A193 W198 Y199	G191-N195 VanDerWaalsContact O-CG 3.32Å; G191-N195 PolarHBondContact O-N 3.4Å; P192-N195 PolarHBondContact O-N 2.83Å; A193-N195 PolarHBondContact O-N 2.99Å; N195-W198 PolarHBondContact O-N 3.17Å; N195-Y199 WeakPolarHBondContact O-CB 3.24Å; N195-Y199 PolarHBondContact O-N 3.04Å
196	R	89.9	Confident	85.9	Confident	102 Å²	102	51.5 Å²	51.5	39%	0.385	27%	0.268	S	S	.	.	H	α-helix	trans	-61.3	-43.2	175.8	-174.1	-170.8	-63.8	150.2	2.8	111.4	D84 P192 A193 S194 Y199 M200	D84-R196 IonicContact OD2-CZ 3.84Å; D84-R196 IonicContact OD2-NH1 3.44Å; D84-R196 PolarHBondContact OD2-NH1 3.44Å; D84-R196 IonicContact OD2-NH2 3.23Å; P192-R196 WeakPolarHBondContact O-CB 3.42Å; P192-R196 PolarHBondContact O-N 2.88Å; A193-R196 PolarHBondContact O-N 2.88Å; S194-R196 VanDerWaalsContact C-N 3.34Å; S194-R196 PolarHBondContact O-N 2.79Å; R196-Y199 WeakPolarHBondContact O-CB 3.44Å; R196-Y199 PolarHBondContact O-N 3.28Å; R196-M200 HydrophobicContact CG-SD 4.24Å; R196-M200 VanDerWaalsContact O-CG 3.32Å; R196-M200 WeakPolarHBondContact O-CG 3.27Å; R196-M200 PolarHBondContact O-N 2.85Å
197	I	91.5	Very high	84.5	Confident	8 Å²	8	50.3 Å²	50.3	4%	0.041	26%	0.263	C	S	.	.	H	α-helix	trans	-60.1	-52.6	176.6	-61.4	-54.4	0	0	0	110.8	F81 A193 S194 Y199 M200 V201 I381 M382 C384 V385	F81-I197 HydrophobicContact CZ-CD1 3.92Å; A193-I197 PolarHBondContact O-N 3.44Å; S194-I197 PolarHBondContact O-N 3.36Å; I197-Y199 VanDerWaalsContact C-N 3.28Å; I197-Y199 PolarHBondContact O-N 3.2Å; I197-M200 PolarHBondContact O-N 2.93Å; I197-M200 VanDerWaalsContact O-N 3.12Å; I197-V201 HydrophobicContact CG2-CG2 4.36Å; I197-V201 WeakPolarHBondContact O-CG2 3.24Å; I197-V201 PolarHBondContact O-N 3.3Å; I197-I381 HydrophobicContact CG2-CG2 4.1Å; I197-M382 HydrophobicContact CG2-CE 4.48Å; I197-C384 HydrophobicContact CD1-CB 3.62Å; I197-C384 WeakPolarHBondContact CD1-O 3.5Å; I197-V385 HydrophobicContact CD1-CG2 4.47Å; I197-V385 HydrophobicContact CG1-CG2 4.25Å; I197-V385 HydrophobicContact CG2-CG2 3.84Å
198	W	91.8	Very high	82.7	Confident	51 Å²	51	57.3 Å²	57.3	19%	0.193	30%	0.3	C	S	.	.	H	α-helix	trans	-62.1	-37.3	178.7	-75.2	115.8	0	0	0	112	S194 N195 M200 V201 Y202 H240 I243	S194-W198 PolarHBondContact O-N 3.38Å; N195-W198 PolarHBondContact O-N 3.17Å; W198-M200 VanDerWaalsContact C-N 3.32Å; W198-M200 PolarHBondContact O-N 3.42Å; W198-V201 HydrophobicContact CE3-CB 4.35Å; W198-V201 HydrophobicContact CE3-CG1 4.35Å; W198-V201 HydrophobicContact CZ3-CG1 4.32Å; W198-V201 PolarHBondContact O-N 2.96Å; W198-Y202 HydrophobicContact CB-CD2 4.47Å; W198-Y202 HydrophobicContact CE3-CD2 4.36Å; W198-Y202 AromaticContact CE3-CE2 3.94Å; W198-Y202 HydrophobicContact CE3-CE2 3.94Å; W198-Y202 VanDerWaalsContact O-CD2 3.26Å; W198-Y202 WeakPolarHBondContact O-CD2 3.19Å; W198-Y202 PolarHBondContact O-N 3.1Å; W198-H240 AromaticContact CD2-CE1 3.82Å; W198-H240 AromaticContact CD2-ND1 3.96Å; W198-H240 AromaticContact CD2-NE2 3.92Å; W198-H240 AromaticContact CE2-CD2 3.51Å; W198-H240 AromaticContact CE2-CE1 3.93Å; W198-H240 AromaticContact CE2-CG 3.97Å; W198-H240 AromaticContact CE2-NE2 3.54Å; W198-H240 HydrophobicContact CE3-CB 4.31Å; W198-H240 AromaticContact CE3-CG 3.98Å; W198-H240 AromaticContact CE3-ND1 3.91Å; W198-H240 HydrophobicContact CH2-CB 3.6Å; W198-H240 AromaticContact CH2-CD2 3.74Å; W198-H240 AromaticContact CH2-CG 3.68Å; W198-H240 HydrophobicContact CZ2-CB 4.18Å; W198-H240 AromaticContact CZ2-CD2 3.35Å; W198-H240 WeakPolarHBondContact CZ2-CD2 3.22Å; W198-H240 AromaticContact CZ2-CG 3.77Å; W198-H240 AromaticContact CZ2-NE2 3.9Å; W198-H240 HydrophobicContact CZ3-CB 3.67Å; W198-H240 AromaticContact CZ3-CG 3.78Å; W198-H240 AromaticContact NE1-NE2 3.62Å; W198-I243 HydrophobicContact CH2-CD1 3.78Å; W198-I243 HydrophobicContact CZ2-CD1 3.92Å
199	Y	88.4	Confident	81.1	Confident	120 Å²	120	63.7 Å²	63.7	47%	0.471	32%	0.322	S	S	.	.	H	α-helix	trans	-53.3	-50.6	172.3	-178	-79.4	0	0	0	111.1	N195 R196 I197 Y202 N203 Y218	N195-Y199 WeakPolarHBondContact O-CB 3.24Å; N195-Y199 PolarHBondContact O-N 3.04Å; R196-Y199 WeakPolarHBondContact O-CB 3.44Å; R196-Y199 PolarHBondContact O-N 3.28Å; I197-Y199 VanDerWaalsContact C-N 3.28Å; I197-Y199 PolarHBondContact O-N 3.2Å; Y199-Y202 PolarHBondContact O-N 2.81Å; Y199-N203 HydrophobicContact CE1-CB 4.35Å; Y199-N203 VanDerWaalsContact O-CB 3.23Å; Y199-N203 WeakPolarHBondContact O-CB 3.36Å; Y199-N203 PolarHBondContact O-N 2.79Å; Y199-Y218 WeakPolarHBondContact CA-OH 3.4Å; Y199-Y218 WeakPolarHBondContact CB-OH 3.31Å; Y199-Y218 AromaticContact CD2-CE2 3.55Å; Y199-Y218 HydrophobicContact CD2-CE2 3.55Å; Y199-Y218 AromaticContact CD2-CZ 3.52Å; Y199-Y218 WeakPolarHBondContact CD2-OH 3.32Å; Y199-Y218 AromaticContact CE2-CE2 3.8Å; Y199-Y218 HydrophobicContact CE2-CE2 3.8Å; Y199-Y218 VanDerWaalsContact CG-OH 3.27Å
200	M	89.5	Confident	79.2	Confident	33 Å²	33	65.2 Å²	65.2	16%	0.163	33%	0.334	C	S	.	.	H	α-helix	trans	-64.8	-45.5	-179	-66.1	169.8	75.3	0	0	111.4	F80 F81 R196 I197 W198 Y202 N203 E204 I381	F80-M200 HydrophobicContact CB-CE 3.65Å; F80-M200 HydrophobicContact CD1-CE 4.19Å; F80-M200 HydrophobicContact CD2-CE 3.52Å; F80-M200 HydrophobicContact CE2-CE 4.2Å; F80-M200 HydrophobicContact CG-CE 3.52Å; F81-M200 HydrophobicContact CD1-CE 4.46Å; F81-M200 HydrophobicContact CD1-SD 4.29Å; F81-M200 HydrophobicContact CE1-CE 4.11Å; F81-M200 HydrophobicContact CE1-SD 3.6Å; F81-M200 VanDerWaalsContact CE1-SD 3.6Å; R196-M200 HydrophobicContact CG-SD 4.24Å; R196-M200 VanDerWaalsContact O-CG 3.32Å; R196-M200 WeakPolarHBondContact O-CG 3.27Å; R196-M200 PolarHBondContact O-N 2.85Å; I197-M200 PolarHBondContact O-N 2.93Å; I197-M200 VanDerWaalsContact O-N 3.12Å; W198-M200 VanDerWaalsContact C-N 3.32Å; W198-M200 PolarHBondContact O-N 3.42Å; M200-Y202 PolarHBondContact O-N 3.45Å; M200-N203 PolarHBondContact O-N 3.32Å; M200-N203 VanDerWaalsContact O-N 3.16Å; M200-E204 PolarHBondContact O-N 3.45Å; M200-E204 VanDerWaalsContact O-N 3.12Å; M200-I381 HydrophobicContact CB-CD1 3.78Å; M200-I381 HydrophobicContact CB-CG1 4.18Å; M200-I381 HydrophobicContact CB-CG2 4.01Å; M200-I381 HydrophobicContact CE-CG1 4.18Å
201	V	90.7	Very high	77	Confident	5 Å²	5	63.8 Å²	63.8	3%	0.03	34%	0.344	C	S	.	.	H	α-helix	trans	-59.4	-45.8	178.5	174.6	0	0	0	0	111.8	I197 W198 N203 E204 V236 I378 I381 M382	I197-V201 HydrophobicContact CG2-CG2 4.36Å; I197-V201 WeakPolarHBondContact O-CG2 3.24Å; I197-V201 PolarHBondContact O-N 3.3Å; W198-V201 HydrophobicContact CE3-CB 4.35Å; W198-V201 HydrophobicContact CE3-CG1 4.35Å; W198-V201 HydrophobicContact CZ3-CG1 4.32Å; W198-V201 PolarHBondContact O-N 2.96Å; V201-N203 VanDerWaalsContact C-N 3.34Å; V201-E204 PolarHBondContact O-N 3.44Å; V201-V236 HydrophobicContact CG1-CG1 3.65Å; V201-I378 HydrophobicContact CG1-CD1 4.06Å; V201-I378 HydrophobicContact CG1-CG1 4.25Å; V201-I378 HydrophobicContact CG1-CG2 4.26Å; V201-I378 HydrophobicContact CG2-CG2 4.39Å; V201-I381 HydrophobicContact CG2-CB 4.45Å; V201-I381 HydrophobicContact CG2-CG2 3.79Å; V201-M382 HydrophobicContact CG2-CE 3.52Å
202	Y	87.2	Confident	75	Confident	19 Å²	19	67.5 Å²	67.5	8%	0.075	36%	0.356	C	S	.	.	H	α-helix	trans	-71.7	-28.4	177.7	-81.7	-76.3	0	0	0	112.8	W198 Y199 M200 E204 N205 Y218 Y233 V236 S237 H240	W198-Y202 HydrophobicContact CB-CD2 4.47Å; W198-Y202 HydrophobicContact CE3-CD2 4.36Å; W198-Y202 AromaticContact CE3-CE2 3.94Å; W198-Y202 HydrophobicContact CE3-CE2 3.94Å; W198-Y202 VanDerWaalsContact O-CD2 3.26Å; W198-Y202 WeakPolarHBondContact O-CD2 3.19Å; W198-Y202 PolarHBondContact O-N 3.1Å; Y199-Y202 PolarHBondContact O-N 2.81Å; M200-Y202 PolarHBondContact O-N 3.45Å; Y202-E204 VanDerWaalsContact C-N 3.26Å; Y202-E204 PolarHBondContact O-N 2.91Å; Y202-N205 WeakPolarHBondContact O-CB 3.32Å; Y202-N205 PolarHBondContact O-N 3.32Å; Y202-N205 VanDerWaalsContact O-N 3.13Å; Y202-Y218 HydrophobicContact CD2-CE1 4.34Å; Y202-Y233 HydrophobicContact CD1-CD2 4.06Å; Y202-Y233 AromaticContact CD1-CE2 3.85Å; Y202-Y233 HydrophobicContact CD1-CE2 3.85Å; Y202-Y233 HydrophobicContact CE1-CD2 4.09Å; Y202-Y233 AromaticContact CE1-CE2 3.68Å; Y202-Y233 HydrophobicContact CE1-CE2 3.68Å; Y202-V236 HydrophobicContact CD1-CG1 4.06Å; Y202-V236 HydrophobicContact CE1-CG1 3.86Å; Y202-V236 HydrophobicContact CE2-CG1 4.49Å; Y202-V236 HydrophobicContact CG-CG1 4.48Å; Y202-S237 WeakPolarHBondContact OH-CA 3.38Å; Y202-H240 AromaticContact CE2-ND1 3.6Å; Y202-H240 AromaticContact CZ-ND1 3.86Å; Y202-H240 PolarHBondContact OH-ND1 2.95Å; Y202-H240 VanDerWaalsContact OH-ND1 3.16Å
203	N	86	Confident	72.8	Confident	62 Å²	62	67.7 Å²	67.7	33%	0.332	36%	0.355	S	S	.	.	H	α-helix	trans	-72.9	-19.5	176.7	-165.3	68.5	0	0	0	112.7	Y199 M200 V201 N205 C206	Y199-N203 HydrophobicContact CE1-CB 4.35Å; Y199-N203 VanDerWaalsContact O-CB 3.23Å; Y199-N203 WeakPolarHBondContact O-CB 3.36Å; Y199-N203 PolarHBondContact O-N 2.79Å; M200-N203 PolarHBondContact O-N 3.32Å; M200-N203 VanDerWaalsContact O-N 3.16Å; V201-N203 VanDerWaalsContact C-N 3.34Å; N203-N205 PolarHBondContact O-N 2.03Å; N203-C206 VanDerWaalsContact O-CB 3.27Å; N203-C206 WeakPolarHBondContact O-CB 3.35Å; N203-C206 PolarHBondContact O-N 3.49Å; N203-C206 VanDerWaalsContact O-N 3.08Å; N203-C206 PolarHBondContact O-SG 2.93Å; N203-C206 VanDerWaalsContact O-SG 3.32Å; N203-C206 PolarHBondContact OD1-SG 2.77Å; N203-C206 VanDerWaalsContact OD1-SG 3.4Å
204	E	83.4	Confident	70.7	Confident	37 Å²	37	78 Å²	78	17%	0.173	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-13.7	167.8	-66.7	-55.5	135	0	0	112.7	M200 V201 Y202 C206 H374 N377 I378 I381	M200-E204 PolarHBondContact O-N 3.45Å; M200-E204 VanDerWaalsContact O-N 3.12Å; V201-E204 PolarHBondContact O-N 3.44Å; Y202-E204 VanDerWaalsContact C-N 3.26Å; Y202-E204 PolarHBondContact O-N 2.91Å; E204-C206 PolarHBondContact O-N 2.71Å; E204-H374 PolarHBondContact O-CE1 2.72Å; E204-H374 VanDerWaalsContact O-CE1 3.28Å; E204-H374 PolarHBondContact O-ND1 2.9Å; E204-N377 VanDerWaalsContact CD-CB 3.46Å; E204-N377 HydrophobicContact CG-CB 4.06Å; E204-N377 WeakPolarHBondContact OE2-CB 3.47Å; E204-N377 PolarHBondContact OE2-ND2 2.79Å; E204-I378 HydrophobicContact CB-CD1 4.35Å; E204-I378 HydrophobicContact CB-CG1 3.98Å; E204-I378 HydrophobicContact CG-CG1 3.93Å; E204-I381 HydrophobicContact CG-CD1 3.67Å
205	N	71.6	Confident	68.5	Low	21 Å²	21	80.2 Å²	80.2	11%	0.112	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	0.5	171.2	-172	57.2	0	0	0	113.3	Y202 N203 F207 K229 F232	Y202-N205 WeakPolarHBondContact O-CB 3.32Å; Y202-N205 PolarHBondContact O-N 3.32Å; Y202-N205 VanDerWaalsContact O-N 3.13Å; N203-N205 PolarHBondContact O-N 2.03Å; N205-F207 VanDerWaalsContact C-N 3.34Å; N205-F207 VanDerWaalsContact O-CD2 3.23Å; N205-F207 WeakPolarHBondContact O-CD2 3.36Å; N205-F207 PolarHBondContact O-N 3.2Å; N205-K229 PolarHBondContact OD1-O 3.2Å; N205-F232 HydrophobicContact CB-CD1 3.86Å; N205-F232 HydrophobicContact CB-CE1 4.02Å; N205-F232 VanDerWaalsContact OD1-CD1 3.26Å; N205-F232 WeakPolarHBondContact OD1-CD1 3.34Å
206	C	65	Low	66.4	Low	52 Å²	52	78.6 Å²	78.6	35%	0.351	41%	0.409	S	S	.	.			trans	-78.2	81.8	175.5	-66.1	0	0	0	0	110.2	N203 E204 N208	N203-C206 VanDerWaalsContact O-CB 3.27Å; N203-C206 WeakPolarHBondContact O-CB 3.35Å; N203-C206 PolarHBondContact O-N 3.49Å; N203-C206 VanDerWaalsContact O-N 3.08Å; N203-C206 PolarHBondContact O-SG 2.93Å; N203-C206 VanDerWaalsContact O-SG 3.32Å; N203-C206 PolarHBondContact OD1-SG 2.77Å; N203-C206 VanDerWaalsContact OD1-SG 3.4Å; E204-C206 PolarHBondContact O-N 2.71Å; C206-N208 PolarHBondContact O-N 2.8Å
207	F	59.2	Low	64.5	Low	9 Å²	9	75.7 Å²	75.7	4%	0.039	41%	0.405	C	S	.	.			trans	-64.1	123.5	171	-67.4	-97.7	0	0	0	109	N205 E209 K229 F232 Q370 F371 H374	N205-F207 VanDerWaalsContact C-N 3.34Å; N205-F207 VanDerWaalsContact O-CD2 3.23Å; N205-F207 WeakPolarHBondContact O-CD2 3.36Å; N205-F207 PolarHBondContact O-N 3.2Å; F207-E209 PolarHBondContact O-N 2.84Å; F207-K229 HydrophobicContact CB-CD 4.14Å; F207-K229 HydrophobicContact CB-CG 4.36Å; F207-K229 HydrophobicContact CD1-CG 4.48Å; F207-K229 HydrophobicContact CD2-CB 4.09Å; F207-K229 HydrophobicContact CD2-CD 4.17Å; F207-K229 HydrophobicContact CD2-CG 3.66Å; F207-K229 HydrophobicContact CE2-CB 4.16Å; F207-K229 HydrophobicContact CE2-CG 4.05Å; F207-K229 HydrophobicContact CG-CD 4.25Å; F207-K229 HydrophobicContact CG-CG 3.93Å; F207-F232 HydrophobicContact CE2-CB 4.1Å; F207-F232 HydrophobicContact CE2-CG 4.32Å; F207-F232 HydrophobicContact CZ-CB 4.02Å; F207-F232 HydrophobicContact CZ-CD2 4.49Å; F207-F232 HydrophobicContact CZ-CG 4.19Å; F207-Q370 HydrophobicContact CD1-CB 4.04Å; F207-Q370 HydrophobicContact CD1-CG 4.44Å; F207-Q370 HydrophobicContact CE1-CB 3.84Å; F207-F371 HydrophobicContact CE1-CD2 4.27Å; F207-F371 HydrophobicContact CE1-CE2 4.34Å; F207-F371 HydrophobicContact CZ-CD2 4.26Å; F207-F371 HydrophobicContact CZ-CE2 4.04Å; F207-H374 AromaticContact CD1-CD2 3.87Å; F207-H374 AromaticContact CD1-NE2 3.32Å; F207-H374 VanDerWaalsContact CD1-NE2 3.32Å; F207-H374 WeakPolarHBondContact CD1-NE2 3.4Å; F207-H374 AromaticContact CE1-CD2 3.41Å; F207-H374 VanDerWaalsContact CE1-CD2 3.41Å; F207-H374 WeakPolarHBondContact CE1-CD2 3.31Å; F207-H374 AromaticContact CE1-NE2 3.4Å; F207-H374 WeakPolarHBondContact CE1-NE2 3.48Å; F207-H374 AromaticContact CG-NE2 3.82Å; F207-H374 AromaticContact CZ-CD2 3.69Å; F207-H374 AromaticContact CZ-NE2 3.94Å
208	N	50.6	Low	62.4	Low	162 Å²	162	80.5 Å²	80.5	87%	0.866	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	10.1	-163.3	-74.7	-30.8	0	0	0	118.5	C206	C206-N208 PolarHBondContact O-N 2.8Å
209	E	50.5	Low	60.6	Low	163 Å²	163	84.5 Å²	84.5	76%	0.762	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	-11.2	-179.7	-78.6	-172.7	154.8	0	0	115.1	F207 S211	F207-E209 PolarHBondContact O-N 2.84Å; E209-S211 PolarHBondContact O-N 3.4Å
210	D	46.8	Very low	58.9	Low	89 Å²	89	79.6 Å²	79.6	48%	0.476	43%	0.434	S	S	.	.			trans	-93.7	101.8	178.8	-68.8	-48.4	0	0	0	109.8	I212 K229	D210-I212 HydrophobicContact CB-CB 4.4Å; D210-I212 HydrophobicContact CB-CD1 3.77Å; D210-I212 HydrophobicContact CB-CG1 3.87Å; D210-I212 PolarHBondContact O-N 2.85Å; D210-K229 IonicContact OD1-NZ 3.44Å; D210-K229 IonicContact OD2-NZ 3.02Å; D210-K229 PolarHBondContact OD2-NZ 3.14Å
211	S	38.1	Very low	57.2	Low	126 Å²	126	79.9 Å²	79.9	88%	0.881	44%	0.438	S	S	*	.			trans	-66.9	49.7	169	62.2	0	0	0	0	112.2	E209	E209-S211 PolarHBondContact O-N 3.4Å
212	I	44.9	Very low	55.3	Low	105 Å²	105	82.8 Å²	82.8	54%	0.538	46%	0.459	S	S	.	.			trans	-111.6	108.7	-167.9	-57.8	179.4	0	0	0	110.3	D210	D210-I212 HydrophobicContact CB-CB 4.4Å; D210-I212 HydrophobicContact CB-CD1 3.77Å; D210-I212 HydrophobicContact CB-CG1 3.87Å; D210-I212 PolarHBondContact O-N 2.85Å
213	T	41.4	Very low	53.6	Low	113 Å²	113	90.8 Å²	90.8	69%	0.693	50%	0.497	S	S	*	.			trans	18.3	105.3	150.3	-33.1	0	0	0	0	116.9	G215	T213-G215 PolarHBondContact O-N 3.17Å
214	Y	40.8	Very low	51.8	Low	242 Å²	242	93 Å²	93	95%	0.949	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-41.5	105.1	167.5	-68.6	-87.7	0	0	0	111.7
215	G	43.5	Very low	50.6	Low	63 Å²	63	92 Å²	92	65%	0.649	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	144.7	-13.9	167.2	0	0	0	0	0	117.7	T213	T213-G215 PolarHBondContact O-N 3.17Å
216	T	44	Very low	50.2	Low	68 Å²	68	94.3 Å²	94.3	42%	0.417	53%	0.531	S	S	.	.			trans	-97	-5.3	-175.2	53.8	0	0	0	0	115.1	Y218 L219	T216-Y218 PolarHBondContact O-N 3.01Å; T216-L219 HydrophobicContact CG2-CD1 4.47Å; T216-L219 WeakPolarHBondContact O-CB 3.49Å; T216-L219 PolarHBondContact O-N 3Å
217	S	49.2	Very low	50	Low	42 Å²	42	94.2 Å²	94.2	29%	0.294	53%	0.527	S	S	.	.	G	3₁₀ helix	trans	-57.2	-26.5	-171.2	-48.2	0	0	0	0	115.1
218	Y	47.5	Very low	50.2	Low	108 Å²	108	95.2 Å²	95.2	42%	0.424	53%	0.532	S	S	.	.	G	3₁₀ helix	trans	-76.6	-21.7	176.9	-73.2	-69.5	0	0	0	115.2	Y199 Y202 T216 G220	Y199-Y218 WeakPolarHBondContact CA-OH 3.4Å; Y199-Y218 WeakPolarHBondContact CB-OH 3.31Å; Y199-Y218 AromaticContact CD2-CE2 3.55Å; Y199-Y218 HydrophobicContact CD2-CE2 3.55Å; Y199-Y218 AromaticContact CD2-CZ 3.52Å; Y199-Y218 WeakPolarHBondContact CD2-OH 3.32Å; Y199-Y218 AromaticContact CE2-CE2 3.8Å; Y199-Y218 HydrophobicContact CE2-CE2 3.8Å; Y199-Y218 VanDerWaalsContact CG-OH 3.27Å; Y202-Y218 HydrophobicContact CD2-CE1 4.34Å; T216-Y218 PolarHBondContact O-N 3.01Å; Y218-G220 PolarHBondContact O-N 3.43Å; Y218-G220 VanDerWaalsContact O-N 3.17Å
219	L	55.3	Low	51.1	Low	135 Å²	135	88.8 Å²	88.8	71%	0.707	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-77.6	3.7	-175.6	-62.1	174.6	0	0	0	112	T216	T216-L219 HydrophobicContact CG2-CD1 4.47Å; T216-L219 WeakPolarHBondContact O-CB 3.49Å; T216-L219 PolarHBondContact O-N 3Å
220	G	51.9	Low	52.5	Low	17 Å²	17	83.8 Å²	83.8	18%	0.175	47%	0.47	C	S	.	.			trans	74.1	162.9	-170.4	0	0	0	0	0	111.3	Y218	Y218-G220 PolarHBondContact O-N 3.43Å; Y218-G220 VanDerWaalsContact O-N 3.17Å
221	P	53.4	Low	54.2	Low	39 Å²	39	79.7 Å²	79.7	25%	0.253	45%	0.449	S	S	.	.			trans	-62.5	145.9	174.9	20.7	-26.4	0	0	0	111.3	S225 R230	P221-S225 VanDerWaalsContact CB-CB 3.46Å; P221-S225 VanDerWaalsContact CB-OG 3.27Å; P221-S225 WeakPolarHBondContact CB-OG 3.35Å; P221-R230 HydrophobicContact CG-CB 4.16Å; P221-R230 HydrophobicContact CG-CG 4.16Å
222	S	51.7	Low	56.5	Low	66 Å²	66	73.8 Å²	73.8	46%	0.462	41%	0.407	S	S	.	.			trans	-62.6	162.3	168.9	55.2	0	0	0	0	110.7	S224 S225	S222-S224 PolarHBondContact O-N 2.9Å; S222-S224 PolarHBondContact OG-OG 3.41Å; S222-S225 WeakPolarHBondContact O-CB 3.48Å; S222-S225 PolarHBondContact O-N 3.31Å; S222-S225 PolarHBondContact O-OG 3.48Å
223	Q	51.1	Low	58.6	Low	188 Å²	188	70.3 Å²	70.3	88%	0.879	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-18.7	171.7	-70.4	-175.2	-2.8	0	0	113	S225 R230	Q223-S225 VanDerWaalsContact C-N 3.32Å; Q223-R230 PolarHBondContact O-NH2 2.87Å
224	S	48.3	Very low	60.9	Low	107 Å²	107	65.4 Å²	65.4	75%	0.748	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	1.3	175.6	66.9	0	0	0	0	114.7	S222	S222-S224 PolarHBondContact O-N 2.9Å; S222-S224 PolarHBondContact OG-OG 3.41Å
225	S	57.4	Low	63.4	Low	17 Å²	17	54 Å²	54	12%	0.119	31%	0.312	C	S	.	.	S	Bend	trans	-77.1	152	170.5	80.7	0	0	0	0	111.5	P221 S222 Q223	P221-S225 VanDerWaalsContact CB-CB 3.46Å; P221-S225 VanDerWaalsContact CB-OG 3.27Å; P221-S225 WeakPolarHBondContact CB-OG 3.35Å; S222-S225 WeakPolarHBondContact O-CB 3.48Å; S222-S225 PolarHBondContact O-N 3.31Å; S222-S225 PolarHBondContact O-OG 3.48Å; Q223-S225 VanDerWaalsContact C-N 3.32Å
226	C	63.3	Low	65.8	Low	69 Å²	69	51.2 Å²	51.2	47%	0.466	28%	0.282	S	S	.	.			trans	-54.6	148.5	165.8	-50.7	0	0	0	0	110.8	E228 K229 R230	C226-E228 WeakPolarHBondContact CB-OE2 3.05Å; C226-E228 PolarHBondContact O-N 3.46Å; C226-K229 HydrophobicContact CB-CD 4.38Å; C226-K229 HydrophobicContact CB-CG 4.16Å; C226-K229 PolarHBondContact O-N 3.46Å; C226-R230 PolarHBondContact O-N 3.36Å
227	L	60.4	Low	68.2	Low	50 Å²	50	48 Å²	48	26%	0.262	26%	0.263	S	S	.	.	H	α-helix	trans	-58.5	-31	-179.1	179.5	64.6	0	0	0	111.5	D38 R230 A231 L355 L356	D38-L227 HydrophobicContact CB-CD1 3.93Å; L227-R230 WeakPolarHBondContact O-CB 3.46Å; L227-R230 PolarHBondContact O-N 2.63Å; L227-A231 PolarHBondContact O-N 2.78Å; L227-L355 WeakPolarHBondContact CD2-O 3.49Å; L227-L356 HydrophobicContact CG-CD2 4.38Å
228	E	64.6	Low	70.4	Confident	31 Å²	31	46 Å²	46	15%	0.145	25%	0.249	C	C	.	.	H	α-helix	trans	-81.5	-39.7	-173.9	-55.2	93.8	161.3	0	0	111.4	C226 R230 A231 F232 L356 F357 L367 F371	C226-E228 WeakPolarHBondContact CB-OE2 3.05Å; C226-E228 PolarHBondContact O-N 3.46Å; E228-R230 PolarHBondContact O-N 2.98Å; E228-A231 WeakPolarHBondContact O-CA 3.48Å; E228-A231 VanDerWaalsContact O-CB 3.26Å; E228-A231 WeakPolarHBondContact O-CB 3.41Å; E228-A231 PolarHBondContact O-N 2.97Å; E228-F232 PolarHBondContact O-N 3.34Å; E228-L356 WeakPolarHBondContact CG-O 2.91Å; E228-F357 HydrophobicContact CG-CD1 4.44Å; E228-L367 HydrophobicContact CB-CD1 3.76Å; E228-L367 HydrophobicContact CB-CD2 3.4Å; E228-L367 HydrophobicContact CB-CG 4.14Å; E228-L367 HydrophobicContact CG-CD2 3.38Å; E228-F371 HydrophobicContact CB-CE2 4.28Å; E228-F371 VanDerWaalsContact O-CZ 3.25Å; E228-F371 WeakPolarHBondContact O-CZ 3.43Å
229	K	70.1	Confident	72.8	Confident	26 Å²	26	41.7 Å²	41.7	11%	0.113	23%	0.233	C	C	.	.	H	α-helix	trans	-57.3	-39.2	167.3	-64.5	-175.2	178.2	-179.6	0	110.4	N205 F207 D210 C226 Y233	N205-K229 PolarHBondContact OD1-O 3.2Å; F207-K229 HydrophobicContact CB-CD 4.14Å; F207-K229 HydrophobicContact CB-CG 4.36Å; F207-K229 HydrophobicContact CD1-CG 4.48Å; F207-K229 HydrophobicContact CD2-CB 4.09Å; F207-K229 HydrophobicContact CD2-CD 4.17Å; F207-K229 HydrophobicContact CD2-CG 3.66Å; F207-K229 HydrophobicContact CE2-CB 4.16Å; F207-K229 HydrophobicContact CE2-CG 4.05Å; F207-K229 HydrophobicContact CG-CD 4.25Å; F207-K229 HydrophobicContact CG-CG 3.93Å; D210-K229 IonicContact OD1-NZ 3.44Å; D210-K229 IonicContact OD2-NZ 3.02Å; D210-K229 PolarHBondContact OD2-NZ 3.14Å; C226-K229 HydrophobicContact CB-CD 4.38Å; C226-K229 HydrophobicContact CB-CG 4.16Å; C226-K229 PolarHBondContact O-N 3.46Å; K229-Y233 PolarHBondContact O-N 3.42Å
230	R	78.6	Confident	74.8	Confident	59 Å²	59	37.1 Å²	37.1	22%	0.223	21%	0.207	C	C	.	.	H	α-helix	trans	-66.2	-39	174	-167.3	-176.4	-54.7	163	7.6	111.7	D38 P221 Q223 C226 L227 E228 F232 Y233 R234	D38-R230 IonicContact OD1-NH1 2.83Å; D38-R230 PolarHBondContact OD1-NH1 2.88Å; D38-R230 WeakPolarHBondContact OD2-CD 3.35Å; P221-R230 HydrophobicContact CG-CB 4.16Å; P221-R230 HydrophobicContact CG-CG 4.16Å; Q223-R230 PolarHBondContact O-NH2 2.87Å; C226-R230 PolarHBondContact O-N 3.36Å; L227-R230 WeakPolarHBondContact O-CB 3.46Å; L227-R230 PolarHBondContact O-N 2.63Å; E228-R230 PolarHBondContact O-N 2.98Å; R230-F232 PolarHBondContact O-N 2.81Å; R230-Y233 PolarHBondContact O-N 2.93Å; R230-R234 HydrophobicContact CG-CG 4.28Å; R230-R234 WeakPolarHBondContact O-CB 3.5Å; R230-R234 WeakPolarHBondContact O-CG 3.49Å; R230-R234 PolarHBondContact O-N 2.92Å
231	A	83.1	Confident	76.9	Confident	3 Å²	3	36.4 Å²	36.4	3%	0.025	20%	0.2	C	C	.	.	H	α-helix	trans	-60.2	-46.3	177.7	0	0	0	0	0	112.5	L227 E228 Y233 R234 M235 F301 L356 F371	L227-A231 PolarHBondContact O-N 2.78Å; E228-A231 WeakPolarHBondContact O-CA 3.48Å; E228-A231 VanDerWaalsContact O-CB 3.26Å; E228-A231 WeakPolarHBondContact O-CB 3.41Å; E228-A231 PolarHBondContact O-N 2.97Å; A231-Y233 PolarHBondContact O-N 3.21Å; A231-R234 PolarHBondContact O-N 3.25Å; A231-M235 WeakPolarHBondContact O-CB 3.35Å; A231-M235 WeakPolarHBondContact O-CG 3.33Å; A231-M235 PolarHBondContact O-N 2.97Å; A231-F301 HydrophobicContact CB-CE1 4.36Å; A231-F301 HydrophobicContact CB-CZ 3.92Å; A231-L356 HydrophobicContact CB-CD2 3.22Å; A231-F371 HydrophobicContact CB-CZ 4.38Å
232	F	85.9	Confident	79.1	Confident	1 Å²	1	34.6 Å²	34.6	0%	0.004	19%	0.188	C	C	.	.	H	α-helix	trans	-58	-51.5	177.1	-174.4	-87.2	0	0	0	111.3	N205 F207 E228 R230 R234 M235 V236 F371 H374 F375 I378	N205-F232 HydrophobicContact CB-CD1 3.86Å; N205-F232 HydrophobicContact CB-CE1 4.02Å; N205-F232 VanDerWaalsContact OD1-CD1 3.26Å; N205-F232 WeakPolarHBondContact OD1-CD1 3.34Å; F207-F232 HydrophobicContact CE2-CB 4.1Å; F207-F232 HydrophobicContact CE2-CG 4.32Å; F207-F232 HydrophobicContact CZ-CB 4.02Å; F207-F232 HydrophobicContact CZ-CD2 4.49Å; F207-F232 HydrophobicContact CZ-CG 4.19Å; E228-F232 PolarHBondContact O-N 3.34Å; R230-F232 PolarHBondContact O-N 2.81Å; F232-R234 VanDerWaalsContact C-N 3.3Å; F232-R234 PolarHBondContact O-N 2.88Å; F232-M235 WeakPolarHBondContact O-CB 3.39Å; F232-M235 PolarHBondContact O-N 3.33Å; F232-V236 HydrophobicContact CD1-CG2 4.13Å; F232-V236 HydrophobicContact CE1-CG2 3.79Å; F232-V236 HydrophobicContact CZ-CG2 4.2Å; F232-V236 WeakPolarHBondContact O-CG2 3.39Å; F232-V236 PolarHBondContact O-N 3.33Å; F232-F371 HydrophobicContact CB-CE1 3.99Å; F232-F371 HydrophobicContact CB-CE2 4.41Å; F232-F371 HydrophobicContact CB-CZ 3.82Å; F232-F371 HydrophobicContact CD2-CD1 4.04Å; F232-F371 HydrophobicContact CD2-CE1 4.07Å; F232-F371 HydrophobicContact CD2-CG 4.49Å; F232-H374 HydrophobicContact CD2-CB 4.44Å; F232-H374 HydrophobicContact CE1-CB 4.49Å; F232-H374 HydrophobicContact CE2-CB 3.51Å; F232-H374 HydrophobicContact CZ-CB 3.53Å; F232-F375 HydrophobicContact CD2-CD2 4.19Å; F232-F375 AromaticContact CD2-CE2 3.66Å; F232-F375 HydrophobicContact CD2-CE2 3.66Å; F232-F375 HydrophobicContact CD2-CZ 4.47Å; F232-F375 AromaticContact CE2-CD2 3.6Å; F232-F375 HydrophobicContact CE2-CD2 3.6Å; F232-F375 AromaticContact CE2-CE2 3.4Å; F232-F375 HydrophobicContact CE2-CE2 3.4Å; F232-F375 VanDerWaalsContact CE2-CE2 3.4Å; F232-F375 HydrophobicContact CE2-CG 4.46Å; F232-F375 HydrophobicContact CE2-CZ 4.16Å; F232-F375 HydrophobicContact CZ-CE2 4.46Å; F232-I378 HydrophobicContact CE1-CD1 4.11Å; F232-I378 HydrophobicContact CE2-CD1 4.37Å; F232-I378 HydrophobicContact CZ-CD1 3.47Å; F232-I378 VanDerWaalsContact CZ-CD1 3.47Å
233	Y	88.7	Confident	81.3	Confident	32 Å²	32	32.8 Å²	32.8	13%	0.125	17%	0.173	C	C	.	.	H	α-helix	trans	-55.2	-44.8	175.4	173.7	-98.3	0	0	0	112.4	Y202 K229 R230 A231 V236 S237	Y202-Y233 HydrophobicContact CD1-CD2 4.06Å; Y202-Y233 AromaticContact CD1-CE2 3.85Å; Y202-Y233 HydrophobicContact CD1-CE2 3.85Å; Y202-Y233 HydrophobicContact CE1-CD2 4.09Å; Y202-Y233 AromaticContact CE1-CE2 3.68Å; Y202-Y233 HydrophobicContact CE1-CE2 3.68Å; K229-Y233 PolarHBondContact O-N 3.42Å; R230-Y233 PolarHBondContact O-N 2.93Å; A231-Y233 PolarHBondContact O-N 3.21Å; Y233-V236 PolarHBondContact O-N 3.41Å; Y233-S237 WeakPolarHBondContact O-CB 3.4Å; Y233-S237 PolarHBondContact O-N 3.35Å
234	R	90.4	Very high	83.4	Confident	10 Å²	10	24.3 Å²	24.3	4%	0.038	14%	0.135	C	C	.	.	H	α-helix	trans	-67.6	-37	-179.1	-69.4	-179.4	75.9	-168.2	0.1	112	D37 D38 R230 A231 F232 G238 N298 F301 T302	D37-R234 PolarHBondContact O-NH1 2.85Å; D37-R234 PolarHBondContact O-NH2 3.32Å; D38-R234 VanDerWaalsContact CG-NH1 3.31Å; D38-R234 IonicContact OD2-CZ 3.91Å; D38-R234 IonicContact OD2-NH1 2.83Å; D38-R234 PolarHBondContact OD2-NH1 3.46Å; R230-R234 HydrophobicContact CG-CG 4.28Å; R230-R234 WeakPolarHBondContact O-CB 3.5Å; R230-R234 WeakPolarHBondContact O-CG 3.49Å; R230-R234 PolarHBondContact O-N 2.92Å; A231-R234 PolarHBondContact O-N 3.25Å; F232-R234 VanDerWaalsContact C-N 3.3Å; F232-R234 PolarHBondContact O-N 2.88Å; R234-G238 PolarHBondContact O-N 3.41Å; R234-N298 VanDerWaalsContact CG-OD1 3.29Å; R234-N298 WeakPolarHBondContact CG-OD1 3.5Å; R234-N298 PolarHBondContact NE-OD1 3.41Å; R234-N298 WeakPolarHBondContact O-CB 3.06Å; R234-F301 HydrophobicContact CB-CD1 3.58Å; R234-F301 HydrophobicContact CB-CE1 3.81Å; R234-F301 HydrophobicContact CB-CG 3.99Å; R234-F301 HydrophobicContact CB-CZ 4.4Å; R234-F301 VanDerWaalsContact NH1-CD2 3.27Å; R234-T302 PolarHBondContact O-OG1 3.5Å
235	M	92.6	Very high	85.7	Confident	3 Å²	3	19.2 Å²	19.2	2%	0.015	10%	0.099	C	C	.	.	H	α-helix	trans	-61.7	-51.2	173.2	-74.9	-168.5	76.2	0	0	111.4	A231 F232 S237 G238 L239 F301 T302 V305 F375 M401 L405	A231-M235 WeakPolarHBondContact O-CB 3.35Å; A231-M235 WeakPolarHBondContact O-CG 3.33Å; A231-M235 PolarHBondContact O-N 2.97Å; F232-M235 WeakPolarHBondContact O-CB 3.39Å; F232-M235 PolarHBondContact O-N 3.33Å; M235-S237 PolarHBondContact O-N 3.12Å; M235-G238 PolarHBondContact O-N 3.48Å; M235-L239 PolarHBondContact O-N 2.98Å; M235-F301 HydrophobicContact CG-CD1 4.22Å; M235-F301 HydrophobicContact CG-CE1 3.77Å; M235-T302 WeakPolarHBondContact CA-OG1 3.46Å; M235-T302 PolarHBondContact O-OG1 3.27Å; M235-V305 HydrophobicContact CE-CB 4.35Å; M235-V305 HydrophobicContact CE-CG1 3.63Å; M235-V305 HydrophobicContact SD-CG1 3.97Å; M235-F375 HydrophobicContact CE-CZ 4.5Å; M235-M401 HydrophobicContact CB-CE 3.56Å; M235-M401 HydrophobicContact CE-CB 4.31Å; M235-M401 HydrophobicContact CE-CE 3.89Å; M235-M401 HydrophobicContact CE-CG 4.46Å; M235-M401 WeakPolarHBondContact O-CE 3.29Å; M235-L405 HydrophobicContact CE-CD1 4.31Å; M235-L405 HydrophobicContact CE-CD2 4.25Å; M235-L405 HydrophobicContact CE-CG 4.19Å; M235-L405 HydrophobicContact SD-CD1 4.33Å; M235-L405 HydrophobicContact SD-CD2 3.97Å; M235-L405 HydrophobicContact SD-CG 4.4Å
236	V	93.9	Very high	87.6	Confident	5 Å²	5	18.7 Å²	18.7	3%	0.03	10%	0.095	C	C	.	.	H	α-helix	trans	-61.8	-45.2	177.3	172.4	0	0	0	0	111	V201 Y202 F232 Y233 G238 L239 H240 I378	V201-V236 HydrophobicContact CG1-CG1 3.65Å; Y202-V236 HydrophobicContact CD1-CG1 4.06Å; Y202-V236 HydrophobicContact CE1-CG1 3.86Å; Y202-V236 HydrophobicContact CE2-CG1 4.49Å; Y202-V236 HydrophobicContact CG-CG1 4.48Å; F232-V236 HydrophobicContact CD1-CG2 4.13Å; F232-V236 HydrophobicContact CE1-CG2 3.79Å; F232-V236 HydrophobicContact CZ-CG2 4.2Å; F232-V236 WeakPolarHBondContact O-CG2 3.39Å; F232-V236 PolarHBondContact O-N 3.33Å; Y233-V236 PolarHBondContact O-N 3.41Å; V236-G238 VanDerWaalsContact C-N 3.31Å; V236-G238 PolarHBondContact O-N 2.95Å; V236-L239 PolarHBondContact O-N 3.19Å; V236-H240 WeakPolarHBondContact O-CB 3.19Å; V236-H240 PolarHBondContact O-N 2.85Å; V236-I378 HydrophobicContact CG2-CD1 4.07Å
237	S	94.5	Very high	89	Confident	1 Å²	1	17 Å²	17	1%	0.007	8%	0.081	C	C	.	.	H	α-helix	trans	-62.7	-37	177	177.4	0	0	0	0	112.4	Y202 Y233 M235 S241 N298	Y202-S237 WeakPolarHBondContact OH-CA 3.38Å; Y233-S237 WeakPolarHBondContact O-CB 3.4Å; Y233-S237 PolarHBondContact O-N 3.35Å; M235-S237 PolarHBondContact O-N 3.12Å; S237-S241 WeakPolarHBondContact O-CB 3.26Å; S237-S241 PolarHBondContact O-N 2.88Å; S237-S241 PolarHBondContact O-OG 3.01Å; S237-N298 VanDerWaalsContact CB-ND2 3.35Å; S237-N298 WeakPolarHBondContact CB-ND2 3.35Å; S237-N298 PolarHBondContact OG-ND2 2.9Å
238	G	96	Very high	90.6	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-73.8	-37.1	178.8	0	0	0	0	0	112.9	R234 M235 V236 S241 S242 N298 T302	R234-G238 PolarHBondContact O-N 3.41Å; M235-G238 PolarHBondContact O-N 3.48Å; V236-G238 VanDerWaalsContact C-N 3.31Å; V236-G238 PolarHBondContact O-N 2.95Å; G238-S241 WeakPolarHBondContact O-CB 3.45Å; G238-S241 PolarHBondContact O-N 3.29Å; G238-S242 WeakPolarHBondContact O-CB 3.13Å; G238-S242 PolarHBondContact O-N 2.92Å; G238-N298 VanDerWaalsContact CA-O 3.26Å; G238-N298 WeakPolarHBondContact CA-O 3.31Å; G238-T302 VanDerWaalsContact CA-OG1 3.32Å; G238-T302 WeakPolarHBondContact CA-OG1 3.25Å
239	L	97.5	Very high	92	Very high	17 Å²	17	14 Å²	14	9%	0.089	7%	0.065	C	C	.	.	H	α-helix	trans	-57.5	-50.5	168.4	173.9	61.6	0	0	0	110.7	M235 V236 S241 S242 I243 Q397 M401	M235-L239 PolarHBondContact O-N 2.98Å; V236-L239 PolarHBondContact O-N 3.19Å; L239-S241 VanDerWaalsContact C-N 3.3Å; L239-S241 PolarHBondContact O-N 3.44Å; L239-S242 VanDerWaalsContact O-CB 3.27Å; L239-S242 WeakPolarHBondContact O-CB 3.41Å; L239-S242 PolarHBondContact O-N 3.48Å; L239-I243 HydrophobicContact CD1-CD1 4.03Å; L239-I243 HydrophobicContact CD1-CG1 4.33Å; L239-I243 HydrophobicContact CG-CD1 3.98Å; L239-I243 WeakPolarHBondContact O-CG1 3.41Å; L239-I243 PolarHBondContact O-N 3.32Å; L239-Q397 HydrophobicContact CD1-CB 3.62Å; L239-Q397 HydrophobicContact CD1-CG 4.05Å; L239-Q397 HydrophobicContact CD2-CB 4.44Å; L239-M401 HydrophobicContact CB-CE 4.32Å; L239-M401 HydrophobicContact CB-SD 3.78Å; L239-M401 HydrophobicContact CD1-SD 4.35Å; L239-M401 HydrophobicContact CD2-SD 3.55Å; L239-M401 VanDerWaalsContact CD2-SD 3.55Å; L239-M401 HydrophobicContact CG-SD 4.06Å
240	H	97.1	Very high	93	Very high	38 Å²	38	15.3 Å²	15.3	18%	0.176	7%	0.069	C	C	.	.	H	α-helix	trans	-61.1	-39.3	179	-172.7	-172.8	0	0	0	112.4	W198 Y202 V236 S244	W198-H240 AromaticContact CD2-CE1 3.82Å; W198-H240 AromaticContact CD2-ND1 3.96Å; W198-H240 AromaticContact CD2-NE2 3.92Å; W198-H240 AromaticContact CE2-CD2 3.51Å; W198-H240 AromaticContact CE2-CE1 3.93Å; W198-H240 AromaticContact CE2-CG 3.97Å; W198-H240 AromaticContact CE2-NE2 3.54Å; W198-H240 HydrophobicContact CE3-CB 4.31Å; W198-H240 AromaticContact CE3-CG 3.98Å; W198-H240 AromaticContact CE3-ND1 3.91Å; W198-H240 HydrophobicContact CH2-CB 3.6Å; W198-H240 AromaticContact CH2-CD2 3.74Å; W198-H240 AromaticContact CH2-CG 3.68Å; W198-H240 HydrophobicContact CZ2-CB 4.18Å; W198-H240 AromaticContact CZ2-CD2 3.35Å; W198-H240 WeakPolarHBondContact CZ2-CD2 3.22Å; W198-H240 AromaticContact CZ2-CG 3.77Å; W198-H240 AromaticContact CZ2-NE2 3.9Å; W198-H240 HydrophobicContact CZ3-CB 3.67Å; W198-H240 AromaticContact CZ3-CG 3.78Å; W198-H240 AromaticContact NE1-NE2 3.62Å; Y202-H240 AromaticContact CE2-ND1 3.6Å; Y202-H240 AromaticContact CZ-ND1 3.86Å; Y202-H240 PolarHBondContact OH-ND1 2.95Å; Y202-H240 VanDerWaalsContact OH-ND1 3.16Å; V236-H240 WeakPolarHBondContact O-CB 3.19Å; V236-H240 PolarHBondContact O-N 2.85Å; H240-S244 WeakPolarHBondContact O-CB 3.3Å; H240-S244 PolarHBondContact O-N 2.91Å; H240-S244 PolarHBondContact O-OG 3.32Å
241	S	97.5	Very high	93.6	Very high	3 Å²	3	13.9 Å²	13.9	2%	0.021	6%	0.064	C	C	.	.	H	α-helix	trans	-62.1	-44.1	172	-66.2	0	0	0	0	111.8	S237 G238 L239 I243 S244 V245 R295	S237-S241 WeakPolarHBondContact O-CB 3.26Å; S237-S241 PolarHBondContact O-N 2.88Å; S237-S241 PolarHBondContact O-OG 3.01Å; G238-S241 WeakPolarHBondContact O-CB 3.45Å; G238-S241 PolarHBondContact O-N 3.29Å; L239-S241 VanDerWaalsContact C-N 3.3Å; L239-S241 PolarHBondContact O-N 3.44Å; S241-I243 PolarHBondContact O-N 3.12Å; S241-S244 PolarHBondContact O-N 3.4Å; S241-V245 WeakPolarHBondContact O-CG2 3.16Å; S241-V245 PolarHBondContact O-N 3.08Å; S241-R295 WeakPolarHBondContact CB-O 3.28Å; S241-R295 WeakPolarHBondContact OG-CB 3.5Å; S241-R295 PolarHBondContact OG-O 3.41Å
242	S	98.2	Very high	93.8	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.007	7%	0.066	C	C	.	.	H	α-helix	trans	-57.6	-49.1	177.7	-166.9	0	0	0	0	111.6	G238 L239 S244 V245 H246 S449	G238-S242 WeakPolarHBondContact O-CB 3.13Å; G238-S242 PolarHBondContact O-N 2.92Å; L239-S242 VanDerWaalsContact O-CB 3.27Å; L239-S242 WeakPolarHBondContact O-CB 3.41Å; L239-S242 PolarHBondContact O-N 3.48Å; S242-S244 PolarHBondContact O-N 3.46Å; S242-V245 PolarHBondContact O-N 3.3Å; S242-H246 PolarHBondContact O-N 3.43Å; S242-H246 PolarHBondContact O-ND1 3.21Å; S242-S449 WeakPolarHBondContact CA-OG 3.39Å; S242-S449 PolarHBondContact O-OG 2.92Å; S242-S449 VanDerWaalsContact O-OG 3.11Å; S242-S449 PolarHBondContact OG-OG 3.39Å
243	I	97.8	Very high	93.7	Very high	27 Å²	27	17.4 Å²	17.4	14%	0.138	8%	0.083	C	C	.	.	H	α-helix	trans	-58.7	-50.5	176.2	-65.6	162.3	0	0	0	109	E184 W198 L239 S241 V245 H246 L247	E184-I243 WeakPolarHBondContact OE1-CG1 3.12Å; W198-I243 HydrophobicContact CH2-CD1 3.78Å; W198-I243 HydrophobicContact CZ2-CD1 3.92Å; L239-I243 HydrophobicContact CD1-CD1 4.03Å; L239-I243 HydrophobicContact CD1-CG1 4.33Å; L239-I243 HydrophobicContact CG-CD1 3.98Å; L239-I243 WeakPolarHBondContact O-CG1 3.41Å; L239-I243 PolarHBondContact O-N 3.32Å; S241-I243 PolarHBondContact O-N 3.12Å; I243-V245 VanDerWaalsContact C-N 3.29Å; I243-V245 PolarHBondContact O-N 3.16Å; I243-H246 WeakPolarHBondContact O-CA 3.4Å; I243-H246 WeakPolarHBondContact O-CB 3.45Å; I243-H246 PolarHBondContact O-N 2.83Å; I243-L247 HydrophobicContact CG2-CD1 4.04Å; I243-L247 HydrophobicContact CG2-CG 4.1Å; I243-L247 VanDerWaalsContact O-CG 3.29Å; I243-L247 WeakPolarHBondContact O-CG 3.49Å; I243-L247 PolarHBondContact O-N 3.03Å
244	S	96.4	Very high	93.2	Very high	11 Å²	11	21.1 Å²	21.1	8%	0.077	11%	0.113	C	C	.	.	H	α-helix	trans	-59.6	-36.9	-179.1	-64.5	0	0	0	0	113.1	H240 S241 S242 S248	H240-S244 WeakPolarHBondContact O-CB 3.3Å; H240-S244 PolarHBondContact O-N 2.91Å; H240-S244 PolarHBondContact O-OG 3.32Å; S241-S244 PolarHBondContact O-N 3.4Å; S242-S244 PolarHBondContact O-N 3.46Å; S244-S248 WeakPolarHBondContact O-CB 3.35Å; S244-S248 PolarHBondContact O-N 3.32Å; S244-S248 VanDerWaalsContact O-N 3.08Å; S244-S248 PolarHBondContact O-OG 3.28Å
245	V	96.8	Very high	92.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-65.2	-46.3	172.5	173.3	0	0	0	0	110.5	S241 S242 I243 L247 S248 Y249 F280 F284 L296 A452 L453 F456	S241-V245 WeakPolarHBondContact O-CG2 3.16Å; S241-V245 PolarHBondContact O-N 3.08Å; S242-V245 PolarHBondContact O-N 3.3Å; I243-V245 VanDerWaalsContact C-N 3.29Å; I243-V245 PolarHBondContact O-N 3.16Å; V245-L247 PolarHBondContact O-N 3.35Å; V245-S248 PolarHBondContact O-N 3.05Å; V245-Y249 VanDerWaalsContact O-CB 3.28Å; V245-Y249 WeakPolarHBondContact O-CB 3.37Å; V245-Y249 PolarHBondContact O-N 2.76Å; V245-F280 HydrophobicContact CG2-CE2 4.31Å; V245-F284 HydrophobicContact CG2-CE2 3.71Å; V245-F284 HydrophobicContact CG2-CZ 3.8Å; V245-L296 HydrophobicContact CG2-CD2 4.21Å; V245-A452 HydrophobicContact CG1-CB 3.79Å; V245-L453 HydrophobicContact CG1-CD2 4.46Å; V245-L453 HydrophobicContact CG2-CD2 3.95Å; V245-F456 HydrophobicContact CG1-CE2 4.47Å
246	H	95.5	Very high	91.5	Very high	6 Å²	6	27.1 Å²	27.1	3%	0.028	14%	0.144	C	C	.	.	H	α-helix	trans	-58.5	-46.7	176.3	-84.3	71.7	0	0	0	112.7	E184 S242 I243 S248 Y249 R250 R445 S449	E184-H246 HydrophobicContact CG-CB 3.98Å; E184-H246 WeakPolarHBondContact OE2-CB 3.47Å; E184-H246 IonicContact OE2-CD2 2.72Å; E184-H246 PolarHBondContact OE2-CD2 3.48Å; E184-H246 VanDerWaalsContact OE2-CD2 3.23Å; E184-H246 IonicContact OE2-CE1 2.9Å; E184-H246 IonicContact OE2-CG 2.92Å; E184-H246 IonicContact OE2-ND1 3.94Å; E184-H246 PolarHBondContact OE2-ND1 2.89Å; E184-H246 IonicContact OE2-NE2 2.72Å; S242-H246 PolarHBondContact O-N 3.43Å; S242-H246 PolarHBondContact O-ND1 3.21Å; I243-H246 WeakPolarHBondContact O-CA 3.4Å; I243-H246 WeakPolarHBondContact O-CB 3.45Å; I243-H246 PolarHBondContact O-N 2.83Å; H246-S248 PolarHBondContact O-N 3.26Å; H246-Y249 PolarHBondContact O-N 2.81Å; H246-R250 WeakPolarHBondContact O-CB 3.48Å; H246-R250 PolarHBondContact O-N 3.17Å; H246-R445 PolarHBondContact CE1-O 3.28Å; H246-R445 PolarHBondContact NE2-NH1 3.48Å; H246-S449 PolarHBondContact CE1-OG 3.31Å; H246-S449 PolarHBondContact ND1-OG 3.13Å
247	L	93.5	Very high	89.9	Confident	34 Å²	34	32 Å²	32	18%	0.178	18%	0.178	C	C	.	.	H	α-helix	trans	-63.8	-34.1	178.9	-56.9	-175.5	0	0	0	111.6	R185 I243 V245	R185-L247 WeakPolarHBondContact O-CD2 3.46Å; I243-L247 HydrophobicContact CG2-CD1 4.04Å; I243-L247 HydrophobicContact CG2-CG 4.1Å; I243-L247 VanDerWaalsContact O-CG 3.29Å; I243-L247 WeakPolarHBondContact O-CG 3.49Å; I243-L247 PolarHBondContact O-N 3.03Å; V245-L247 PolarHBondContact O-N 3.35Å
248	S	93.6	Very high	87.9	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-74.5	-37.3	176.1	-53.3	0	0	0	0	111.6	S244 V245 H246 N276	S244-S248 WeakPolarHBondContact O-CB 3.35Å; S244-S248 PolarHBondContact O-N 3.32Å; S244-S248 VanDerWaalsContact O-N 3.08Å; S244-S248 PolarHBondContact O-OG 3.28Å; V245-S248 PolarHBondContact O-N 3.05Å; H246-S248 PolarHBondContact O-N 3.26Å; S248-N276 PolarHBondContact O-N 3.26Å
249	Y	93.8	Very high	85.9	Confident	16 Å²	16	50.8 Å²	50.8	6%	0.063	26%	0.255	C	S	.	.	H	α-helix	trans	-81.7	-32.5	-175.4	-166.6	-94.9	0	0	0	112.9	V245 H246 G274 P275 A452 D455 F456	V245-Y249 VanDerWaalsContact O-CB 3.28Å; V245-Y249 WeakPolarHBondContact O-CB 3.37Å; V245-Y249 PolarHBondContact O-N 2.76Å; H246-Y249 PolarHBondContact O-N 2.81Å; Y249-G274 CarbonylContact O-C 3.55Å; Y249-G274 VanDerWaalsContact O-O 3.08Å; Y249-P275 HydrophobicContact CD2-CB 3.79Å; Y249-P275 HydrophobicContact CE2-CB 4.02Å; Y249-P275 HydrophobicContact CE2-CG 4.44Å; Y249-P275 HydrophobicContact CG-CB 4.4Å; Y249-P275 VanDerWaalsContact O-CA 3.3Å; Y249-P275 WeakPolarHBondContact O-CA 3.25Å; Y249-P275 VanDerWaalsContact O-N 3.11Å; Y249-A452 HydrophobicContact CD1-CB 4.31Å; Y249-A452 HydrophobicContact CD2-CB 3.47Å; Y249-A452 VanDerWaalsContact CD2-CB 3.47Å; Y249-A452 HydrophobicContact CE2-CB 3.88Å; Y249-A452 HydrophobicContact CG-CB 3.71Å; Y249-D455 HydrophobicContact CE2-CB 3.82Å; Y249-D455 VanDerWaalsContact CE2-OD2 3.29Å; Y249-D455 WeakPolarHBondContact CE2-OD2 3.3Å; Y249-D455 VanDerWaalsContact CZ-OD2 3.25Å; Y249-D455 PolarHBondContact OH-OD2 2.64Å; Y249-F456 HydrophobicContact CD2-CD2 4.32Å; Y249-F456 AromaticContact CD2-CE2 3.77Å; Y249-F456 HydrophobicContact CD2-CE2 3.77Å; Y249-F456 AromaticContact CD2-CZ 4Å; Y249-F456 HydrophobicContact CD2-CZ 4Å; Y249-F456 HydrophobicContact CG-CE2 4.34Å
250	R	91.3	Very high	83.8	Confident	55 Å²	55	53.5 Å²	53.5	21%	0.208	27%	0.267	C	S	.	.	S	Bend	trans	-108.9	67	173.4	-59.8	-58	-171.6	112.1	-13.4	108.8	R185 Y186 H246 D267 W273	R185-R250 HydrophobicContact CB-CB 3.55Å; R185-R250 HydrophobicContact CB-CG 4.49Å; Y186-R250 PolarHBondContact N-O 3.04Å; H246-R250 WeakPolarHBondContact O-CB 3.48Å; H246-R250 PolarHBondContact O-N 3.17Å; R250-D267 IonicContact CZ-OD2 2.79Å; R250-D267 IonicContact NH1-OD2 3.88Å; R250-D267 PolarHBondContact NH1-OD2 2.92Å; R250-D267 IonicContact NH2-OD2 3.79Å; R250-D267 PolarHBondContact NH2-OD2 2.99Å; R250-W273 VanDerWaalsContact O-CE3 3.24Å
251	Y	90.8	Very high	81.8	Confident	28 Å²	28	56.2 Å²	56.2	11%	0.11	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	141.3	178.5	-159.8	-91.7	0	0	0	110.4	Y186 L253 L255 F256 W273 G274 N276 E279	Y186-Y251 HydrophobicContact CD1-CE2 4.45Å; Y186-Y251 AromaticContact CD2-CD2 3.72Å; Y186-Y251 HydrophobicContact CD2-CD2 3.72Å; Y186-Y251 AromaticContact CD2-CE2 3.48Å; Y186-Y251 HydrophobicContact CD2-CE2 3.48Å; Y186-Y251 VanDerWaalsContact CD2-CE2 3.48Å; Y186-Y251 HydrophobicContact CE1-CE2 4.48Å; Y186-Y251 HydrophobicContact CE2-CD2 4.25Å; Y186-Y251 AromaticContact CE2-CE2 3.52Å; Y186-Y251 HydrophobicContact CE2-CE2 3.52Å; Y186-Y251 AromaticContact CG-CD2 3.98Å; Y186-Y251 HydrophobicContact CG-CD2 3.98Å; Y186-Y251 AromaticContact CG-CE2 3.96Å; Y186-Y251 HydrophobicContact CG-CE2 3.96Å; Y251-L253 PolarHBondContact O-N 3.41Å; Y251-L255 HydrophobicContact CE1-CB 3.69Å; Y251-L255 HydrophobicContact CE1-CD1 4.28Å; Y251-F256 HydrophobicContact CD1-CE2 4.33Å; Y251-F256 HydrophobicContact CD1-CZ 4.3Å; Y251-W273 WeakPolarHBondContact O-CA 3.2Å; Y251-G274 WeakPolarHBondContact CA-O 3.35Å; Y251-G274 WeakPolarHBondContact CB-O 3.25Å; Y251-G274 PolarHBondContact N-O 3.4Å; Y251-G274 PolarHBondContact O-N 3.22Å; Y251-G274 VanDerWaalsContact O-O 3.1Å; Y251-N276 HydrophobicContact CD1-CB 3.89Å; Y251-N276 VanDerWaalsContact CD1-ND2 3.28Å; Y251-N276 WeakPolarHBondContact CD1-ND2 3.41Å; Y251-N276 HydrophobicContact CD2-CB 4.18Å; Y251-N276 VanDerWaalsContact CE1-ND2 3.25Å; Y251-N276 WeakPolarHBondContact CE1-ND2 3.38Å; Y251-N276 HydrophobicContact CG-CB 3.63Å; Y251-E279 HydrophobicContact CD2-CB 4.37Å; Y251-E279 HydrophobicContact CD2-CG 4.23Å; Y251-E279 HydrophobicContact CE2-CB 4.29Å; Y251-E279 HydrophobicContact CE2-CG 4.1Å
252	P	88.1	Confident	79.6	Confident	10 Å²	10	62.9 Å²	62.9	7%	0.065	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	125	-178.2	26.8	-36.5	0	0	0	110.9	Y186 S254 L255 W273	Y186-P252 HydrophobicContact CD1-CG 4.05Å; P252-S254 PolarHBondContact O-N 2.78Å; P252-L255 HydrophobicContact CB-CG 4.38Å; P252-L255 HydrophobicContact CG-CB 4.15Å; P252-L255 HydrophobicContact CG-CD1 3.52Å; P252-L255 HydrophobicContact CG-CG 3.76Å; P252-L255 PolarHBondContact O-N 3.31Å; P252-L255 VanDerWaalsContact O-N 3.1Å; P252-W273 HydrophobicContact CB-CE3 4.29Å; P252-W273 HydrophobicContact CB-CH2 4.24Å; P252-W273 HydrophobicContact CB-CZ3 4.04Å; P252-W273 HydrophobicContact CG-CZ3 4.3Å
253	L	83.1	Confident	77.5	Confident	69 Å²	69	63.8 Å²	63.8	36%	0.361	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-65.2	-28.5	-174.8	-71.3	171.9	0	0	0	112.5	Y251 L255 F256 G272	Y251-L253 PolarHBondContact O-N 3.41Å; L253-L255 PolarHBondContact O-N 3.07Å; L253-F256 HydrophobicContact CB-CD2 4.1Å; L253-F256 HydrophobicContact CB-CE2 4.32Å; L253-F256 HydrophobicContact CD2-CD2 3.55Å; L253-F256 HydrophobicContact CD2-CE2 3.25Å; L253-F256 HydrophobicContact CD2-CZ 4.23Å; L253-F256 HydrophobicContact CG-CD2 4.34Å; L253-F256 HydrophobicContact CG-CE2 4.15Å; L253-F256 WeakPolarHBondContact O-CB 3.32Å; L253-F256 VanDerWaalsContact O-CD2 3.31Å; L253-F256 WeakPolarHBondContact O-CD2 3.23Å; L253-F256 PolarHBondContact O-N 2.81Å; L253-F256 VanDerWaalsContact O-N 3.09Å; L253-G272 PolarHBondContact N-O 2.05Å
254	S	79.7	Confident	75.2	Confident	109 Å²	109	74.7 Å²	74.7	76%	0.762	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-63.1	-21.3	176.9	55.5	0	0	0	0	113.8	P252	P252-S254 PolarHBondContact O-N 2.78Å
255	L	76.4	Confident	73.1	Confident	97 Å²	97	77.9 Å²	77.9	51%	0.508	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-91.4	1.1	177.1	-62.8	-172.3	0	0	0	112.8	Y186 Y251 P252 L253	Y186-L255 HydrophobicContact CE1-CD1 4.39Å; Y251-L255 HydrophobicContact CE1-CB 3.69Å; Y251-L255 HydrophobicContact CE1-CD1 4.28Å; P252-L255 HydrophobicContact CB-CG 4.38Å; P252-L255 HydrophobicContact CG-CB 4.15Å; P252-L255 HydrophobicContact CG-CD1 3.52Å; P252-L255 HydrophobicContact CG-CG 3.76Å; P252-L255 PolarHBondContact O-N 3.31Å; P252-L255 VanDerWaalsContact O-N 3.1Å; L253-L255 PolarHBondContact O-N 3.07Å
256	F	69.9	Low	70.9	Confident	43 Å²	43	83.5 Å²	83.5	19%	0.189	41%	0.406	C	S	.	.	S	Bend	trans	-72.7	133.7	174.3	-77.5	-77.6	0	0	0	112.2	Y251 L253 R258 Q260 P275 N276	Y251-F256 HydrophobicContact CD1-CE2 4.33Å; Y251-F256 HydrophobicContact CD1-CZ 4.3Å; L253-F256 HydrophobicContact CB-CD2 4.1Å; L253-F256 HydrophobicContact CB-CE2 4.32Å; L253-F256 HydrophobicContact CD2-CD2 3.55Å; L253-F256 HydrophobicContact CD2-CE2 3.25Å; L253-F256 HydrophobicContact CD2-CZ 4.23Å; L253-F256 HydrophobicContact CG-CD2 4.34Å; L253-F256 HydrophobicContact CG-CE2 4.15Å; L253-F256 WeakPolarHBondContact O-CB 3.32Å; L253-F256 VanDerWaalsContact O-CD2 3.31Å; L253-F256 WeakPolarHBondContact O-CD2 3.23Å; L253-F256 PolarHBondContact O-N 2.81Å; L253-F256 VanDerWaalsContact O-N 3.09Å; F256-R258 VanDerWaalsContact C-N 3.25Å; F256-R258 PolarHBondContact O-N 3.27Å; F256-Q260 HydrophobicContact CD1-CB 4.47Å; F256-Q260 HydrophobicContact CD1-CG 4.46Å; F256-Q260 VanDerWaalsContact CE1-OE1 3.28Å; F256-P275 VanDerWaalsContact CZ-O 3.25Å; F256-P275 WeakPolarHBondContact CZ-O 3.37Å; F256-N276 HydrophobicContact CE1-CB 3.52Å; F256-N276 VanDerWaalsContact CE1-CG 3.46Å; F256-N276 HydrophobicContact CZ-CB 3.49Å; F256-N276 VanDerWaalsContact CZ-CB 3.49Å
257	S	59.7	Low	69	Low	107 Å²	107	84.5 Å²	84.5	75%	0.748	41%	0.412	S	S	*	.			trans	-70.5	81.7	159.8	-66.7	0	0	0	0	110.3	H259	S257-H259 VanDerWaalsContact C-N 3.32Å; S257-H259 PolarHBondContact O-N 3.49Å
258	R	53.8	Low	67.3	Low	231 Å²	231	87.1 Å²	87.1	87%	0.872	43%	0.433	S	S	*	.	S	Bend	trans	44.5	-3	158.5	-109.6	-169.6	-72.3	-176.7	-1.9	123.3	F256	F256-R258 VanDerWaalsContact C-N 3.25Å; F256-R258 PolarHBondContact O-N 3.27Å
259	H	53.4	Low	65.6	Low	165 Å²	165	93.8 Å²	93.8	76%	0.764	47%	0.469	S	S	*	.			trans	-140.4	23.5	-166.4	-72.2	87	0	0	0	118.1	S257	S257-H259 VanDerWaalsContact C-N 3.32Å; S257-H259 PolarHBondContact O-N 3.49Å
260	Q	53.9	Low	64.3	Low	73 Å²	73	94.7 Å²	94.7	34%	0.341	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-98.7	136.6	173.1	-71.4	-172.4	11.2	0	0	112.1	F256 P275	F256-Q260 HydrophobicContact CD1-CB 4.47Å; F256-Q260 HydrophobicContact CD1-CG 4.46Å; F256-Q260 VanDerWaalsContact CE1-OE1 3.28Å; Q260-P275 PolarHBondContact OE1-O 3.29Å
261	P	53.9	Low	63.2	Low	95 Å²	95	95.8 Å²	95.8	62%	0.617	49%	0.489	S	S	*	.	P	Polyproline II helix	trans	-61.5	138.9	175.2	24.2	-30.3	0	0	0	110.1	S263	P261-S263 PolarHBondContact O-N 3.11Å
262	I	52.5	Low	62.7	Low	143 Å²	143	96.1 Å²	96.1	73%	0.733	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-57.7	124.4	174	-61.3	168.6	0	0	0	107.6	Y266	I262-Y266 HydrophobicContact CG2-CD2 4.27Å
263	S	53	Low	62.7	Low	21 Å²	21	97.1 Å²	97.1	15%	0.147	50%	0.503	C	S	.	.	P	Polyproline II helix	trans	-61	147.8	178.6	57.3	0	0	0	0	111.3	P261 D265 Y266 P275	P261-S263 PolarHBondContact O-N 3.11Å; S263-D265 PolarHBondContact O-N 2.98Å; S263-D265 PolarHBondContact OG-O 3.08Å; S263-Y266 PolarHBondContact O-N 3.36Å; S263-P275 WeakPolarHBondContact OG-CD 3.23Å
264	R	51.2	Low	62.9	Low	256 Å²	256	94 Å²	94	97%	0.966	49%	0.488	S	S	*	.	S	Bend	trans	-59.3	-32.1	175.4	-121.1	178.6	170.1	-177.2	-3.6	112.6	Y266	R264-Y266 PolarHBondContact O-N 3Å; R264-Y266 VanDerWaalsContact O-N 3.17Å
265	D	51.1	Low	63.4	Low	77 Å²	77	89.3 Å²	89.3	41%	0.412	46%	0.455	S	S	.	.			trans	-87.4	63	172.1	-151.9	24.9	0	0	0	109.5	S263 D267	S263-D265 PolarHBondContact O-N 2.98Å; S263-D265 PolarHBondContact OG-O 3.08Å; D265-D267 VanDerWaalsContact C-N 3.29Å; D265-D267 PolarHBondContact O-N 2.73Å
266	Y	50.3	Low	64.2	Low	118 Å²	118	85.1 Å²	85.1	46%	0.463	43%	0.433	S	S	.	.			trans	-64.8	98	165.5	178.9	-98.6	0	0	0	106.6	I262 S263 R264 S268 P271	I262-Y266 HydrophobicContact CG2-CD2 4.27Å; S263-Y266 PolarHBondContact O-N 3.36Å; R264-Y266 PolarHBondContact O-N 3Å; R264-Y266 VanDerWaalsContact O-N 3.17Å; Y266-S268 VanDerWaalsContact C-N 3.3Å; Y266-S268 PolarHBondContact O-N 3.16Å; Y266-P271 HydrophobicContact CE2-CB 4.29Å; Y266-P271 WeakPolarHBondContact OH-CB 3.27Å
267	D	55.8	Low	65.2	Low	27 Å²	27	83.7 Å²	83.7	14%	0.144	43%	0.427	C	S	.	.			trans	-63	98.4	173	-173.8	-6.6	0	0	0	107.4	R250 D265 N269 N270	R250-D267 IonicContact CZ-OD2 2.79Å; R250-D267 IonicContact NH1-OD2 3.88Å; R250-D267 PolarHBondContact NH1-OD2 2.92Å; R250-D267 IonicContact NH2-OD2 3.79Å; R250-D267 PolarHBondContact NH2-OD2 2.99Å; D265-D267 VanDerWaalsContact C-N 3.29Å; D265-D267 PolarHBondContact O-N 2.73Å; D267-N269 PolarHBondContact O-N 3.39Å; D267-N269 VanDerWaalsContact O-N 3.08Å; D267-N269 VanDerWaalsContact OD1-CB 3.31Å; D267-N269 WeakPolarHBondContact OD1-CB 2.99Å; D267-N269 PolarHBondContact OD1-N 3.05Å; D267-N269 VanDerWaalsContact OD1-N 3.1Å; D267-N270 HydrophobicContact CB-CB 4.12Å; D267-N270 CarbonylContact O-C 2.99Å; D267-N270 WeakPolarHBondContact O-CA 3.37Å; D267-N270 PolarHBondContact O-N 2.72Å; D267-N270 PolarHBondContact OD2-ND2 2.92Å
268	S	58.1	Low	66.6	Low	90 Å²	90	84.9 Å²	84.9	63%	0.629	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-23.6	-178.1	-62.7	0	0	0	0	111.3	Y266 N270	Y266-S268 VanDerWaalsContact C-N 3.3Å; Y266-S268 PolarHBondContact O-N 3.16Å; S268-N270 VanDerWaalsContact C-N 3.34Å
269	N	59.1	Low	68.4	Low	140 Å²	140	74.6 Å²	74.6	75%	0.749	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-17.7	175.5	-58.4	-28.6	0	0	0	112.5	D267	D267-N269 PolarHBondContact O-N 3.39Å; D267-N269 VanDerWaalsContact O-N 3.08Å; D267-N269 VanDerWaalsContact OD1-CB 3.31Å; D267-N269 WeakPolarHBondContact OD1-CB 2.99Å; D267-N269 PolarHBondContact OD1-N 3.05Å; D267-N269 VanDerWaalsContact OD1-N 3.1Å
270	N	65.5	Low	70.3	Confident	34 Å²	34	67.2 Å²	67.2	18%	0.182	35%	0.349	C	S	.	.			trans	-134.3	62.9	-175.7	-70.1	-67.6	0	0	0	111.5	R185 D267 S268 G272 W273	R185-N270 PolarHBondContact NH1-OD1 3.4Å; D267-N270 HydrophobicContact CB-CB 4.12Å; D267-N270 CarbonylContact O-C 2.99Å; D267-N270 WeakPolarHBondContact O-CA 3.37Å; D267-N270 PolarHBondContact O-N 2.72Å; D267-N270 PolarHBondContact OD2-ND2 2.92Å; S268-N270 VanDerWaalsContact C-N 3.34Å; N270-G272 PolarHBondContact O-N 3.47Å; N270-W273 HydrophobicContact CB-CB 4.37Å; N270-W273 HydrophobicContact CB-CG 4.38Å; N270-W273 PolarHBondContact O-N 3.34Å
271	P	68	Low	72.1	Confident	79 Å²	79	66.2 Å²	66.2	51%	0.513	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-10.9	-170.8	27.3	-38.1	0	0	0	115.1	Y266	Y266-P271 HydrophobicContact CE2-CB 4.29Å; Y266-P271 WeakPolarHBondContact OH-CB 3.27Å
272	G	80.5	Confident	73.9	Confident	34 Å²	34	67.3 Å²	67.3	35%	0.351	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	10.8	178.8	0	0	0	0	0	115.2	L253 N270	L253-G272 PolarHBondContact N-O 2.05Å; N270-G272 PolarHBondContact O-N 3.47Å
273	W	87.1	Confident	75.8	Confident	31 Å²	31	63.7 Å²	63.7	12%	0.117	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	140.5	-174.8	-59.1	83.6	0	0	0	111.4	D91 R185 Y186 R250 Y251 P252 N270	D91-W273 HydrophobicContact CB-CH2 4.36Å; D91-W273 WeakPolarHBondContact OD1-CZ2 3.48Å; R185-W273 HydrophobicContact CB-CE3 4.22Å; R185-W273 HydrophobicContact CB-CZ3 4.14Å; R185-W273 HydrophobicContact CG-CE3 4.28Å; R185-W273 HydrophobicContact CG-CH2 4.07Å; R185-W273 HydrophobicContact CG-CZ3 3.9Å; Y186-W273 WeakPolarHBondContact O-CH2 3.26Å; Y186-W273 WeakPolarHBondContact O-CZ3 3.4Å; R250-W273 VanDerWaalsContact O-CE3 3.24Å; Y251-W273 WeakPolarHBondContact O-CA 3.2Å; P252-W273 HydrophobicContact CB-CE3 4.29Å; P252-W273 HydrophobicContact CB-CH2 4.24Å; P252-W273 HydrophobicContact CB-CZ3 4.04Å; P252-W273 HydrophobicContact CG-CZ3 4.3Å; N270-W273 HydrophobicContact CB-CB 4.37Å; N270-W273 HydrophobicContact CB-CG 4.38Å; N270-W273 PolarHBondContact O-N 3.34Å
274	G	87.6	Confident	77.8	Confident	4 Å²	4	63 Å²	63	4%	0.041	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.9	174.3	178.4	0	0	0	0	0	113.4	Y249 Y251	Y249-G274 CarbonylContact O-C 3.55Å; Y249-G274 VanDerWaalsContact O-O 3.08Å; Y251-G274 WeakPolarHBondContact CA-O 3.35Å; Y251-G274 WeakPolarHBondContact CB-O 3.25Å; Y251-G274 PolarHBondContact N-O 3.4Å; Y251-G274 PolarHBondContact O-N 3.22Å; Y251-G274 VanDerWaalsContact O-O 3.1Å
275	P	91.7	Very high	79.5	Confident	10 Å²	10	53 Å²	53	7%	0.065	27%	0.271	C	S	.	.			trans	-73.2	131.7	-173.7	26.8	-32.4	0	0	0	111.9	Y249 F256 Q260 S263 F456 M459	Y249-P275 HydrophobicContact CD2-CB 3.79Å; Y249-P275 HydrophobicContact CE2-CB 4.02Å; Y249-P275 HydrophobicContact CE2-CG 4.44Å; Y249-P275 HydrophobicContact CG-CB 4.4Å; Y249-P275 VanDerWaalsContact O-CA 3.3Å; Y249-P275 WeakPolarHBondContact O-CA 3.25Å; Y249-P275 VanDerWaalsContact O-N 3.11Å; F256-P275 VanDerWaalsContact CZ-O 3.25Å; F256-P275 WeakPolarHBondContact CZ-O 3.37Å; Q260-P275 PolarHBondContact OE1-O 3.29Å; S263-P275 WeakPolarHBondContact OG-CD 3.23Å; P275-F456 HydrophobicContact CB-CE1 3.84Å; P275-F456 HydrophobicContact CB-CZ 4.03Å; P275-M459 HydrophobicContact CB-CE 3.73Å; P275-M459 HydrophobicContact CB-SD 4.08Å; P275-M459 HydrophobicContact CG-CE 3.31Å; P275-M459 HydrophobicContact CG-SD 4.05Å
276	N	91.6	Very high	81.2	Confident	10 Å²	10	51.5 Å²	51.5	5%	0.053	27%	0.265	C	S	.	.			trans	-108.8	101.8	176.3	-173	-18.8	0	0	0	111.6	S248 Y251 F256 E278 E279 F280	S248-N276 PolarHBondContact O-N 3.26Å; Y251-N276 HydrophobicContact CD1-CB 3.89Å; Y251-N276 VanDerWaalsContact CD1-ND2 3.28Å; Y251-N276 WeakPolarHBondContact CD1-ND2 3.41Å; Y251-N276 HydrophobicContact CD2-CB 4.18Å; Y251-N276 VanDerWaalsContact CE1-ND2 3.25Å; Y251-N276 WeakPolarHBondContact CE1-ND2 3.38Å; Y251-N276 HydrophobicContact CG-CB 3.63Å; F256-N276 HydrophobicContact CE1-CB 3.52Å; F256-N276 VanDerWaalsContact CE1-CG 3.46Å; F256-N276 HydrophobicContact CZ-CB 3.49Å; F256-N276 VanDerWaalsContact CZ-CB 3.49Å; N276-E278 VanDerWaalsContact C-N 3.27Å; N276-E278 PolarHBondContact O-N 3.37Å; N276-E278 WeakPolarHBondContact OD1-CB 2.89Å; N276-E278 PolarHBondContact OD1-N 2.86Å; N276-E279 HydrophobicContact CB-CB 4.04Å; N276-E279 PolarHBondContact O-N 2.87Å; N276-E279 PolarHBondContact OD1-N 3.4Å; N276-E279 VanDerWaalsContact OD1-N 3.12Å; N276-F280 PolarHBondContact O-N 3.26Å
277	L	90.6	Very high	83	Confident	12 Å²	12	50.6 Å²	50.6	6%	0.063	28%	0.276	C	S	.	.	H	α-helix	trans	-63.9	-31.5	-179.7	178.4	59.8	0	0	0	113.2	F280 R281 F456 M459 I460	L277-F280 HydrophobicContact CD1-CD1 4.47Å; L277-R281 HydrophobicContact CD1-CG 4.3Å; L277-R281 WeakPolarHBondContact O-CB 3.05Å; L277-R281 WeakPolarHBondContact O-CG 3.37Å; L277-R281 PolarHBondContact O-N 3.49Å; L277-F456 HydrophobicContact CD1-CD1 4.32Å; L277-M459 HydrophobicContact CD1-CB 4.48Å; L277-M459 HydrophobicContact CD2-CB 4.18Å; L277-I460 HydrophobicContact CD1-CD1 4.25Å; L277-I460 HydrophobicContact CD1-CG1 3.49Å; L277-I460 VanDerWaalsContact CD1-CG1 3.49Å
278	E	90.7	Very high	84.6	Confident	133 Å²	133	54 Å²	54	62%	0.621	29%	0.293	S	S	*	.	H	α-helix	trans	-71.6	-44.4	179.8	-173.7	177.7	-179.5	0	0	110.9	N276 F280 R281 R282	N276-E278 VanDerWaalsContact C-N 3.27Å; N276-E278 PolarHBondContact O-N 3.37Å; N276-E278 WeakPolarHBondContact OD1-CB 2.89Å; N276-E278 PolarHBondContact OD1-N 2.86Å; E278-F280 VanDerWaalsContact C-N 3.34Å; E278-F280 PolarHBondContact O-N 2.84Å; E278-R281 PolarHBondContact O-N 2.9Å; E278-R282 WeakPolarHBondContact O-CB 3.43Å; E278-R282 PolarHBondContact O-N 3.5Å
279	E	91.9	Very high	86	Confident	15 Å²	15	50.7 Å²	50.7	7%	0.07	27%	0.269	C	S	.	.	H	α-helix	trans	-63.1	-41.7	174.1	179.4	61.5	-173.5	0	0	110.9	Y251 N276 R281 R282 R283	Y251-E279 HydrophobicContact CD2-CB 4.37Å; Y251-E279 HydrophobicContact CD2-CG 4.23Å; Y251-E279 HydrophobicContact CE2-CB 4.29Å; Y251-E279 HydrophobicContact CE2-CG 4.1Å; N276-E279 HydrophobicContact CB-CB 4.04Å; N276-E279 PolarHBondContact O-N 2.87Å; N276-E279 PolarHBondContact OD1-N 3.4Å; N276-E279 VanDerWaalsContact OD1-N 3.12Å; E279-R281 PolarHBondContact O-N 3.32Å; E279-R282 PolarHBondContact O-N 3.44Å; E279-R282 IonicContact OE1-CZ 3.63Å; E279-R282 IonicContact OE1-NE 2.7Å; E279-R282 IonicContact OE1-NH2 2.79Å; E279-R282 PolarHBondContact OE1-NH2 3.36Å; E279-R282 IonicContact OE2-CZ 3.79Å; E279-R282 VanDerWaalsContact OE2-CZ 3.27Å; E279-R282 IonicContact OE2-NE 3.59Å; E279-R282 PolarHBondContact OE2-NE 3.43Å; E279-R282 IonicContact OE2-NH2 2.58Å; E279-R282 PolarHBondContact OE2-NH2 3.19Å; E279-R283 VanDerWaalsContact O-CG 3.23Å; E279-R283 WeakPolarHBondContact O-CG 3.4Å; E279-R283 PolarHBondContact O-N 2.94Å; E279-R283 IonicContact OE1-CZ 3.97Å; E279-R283 VanDerWaalsContact OE1-CZ 3.3Å; E279-R283 IonicContact OE1-NE 3.57Å; E279-R283 PolarHBondContact OE1-NE 3.05Å; E279-R283 IonicContact OE1-NH2 2.64Å; E279-R283 PolarHBondContact OE1-NH2 3.49Å
280	F	93.2	Very high	87.4	Confident	10 Å²	10	49 Å²	49	4%	0.044	27%	0.266	C	S	.	.	H	α-helix	trans	-58.7	-49.3	174.9	179.8	-98.3	0	0	0	111.9	V245 N276 L277 E278 R282 R283 F284 L296 L453 F456 I460	V245-F280 HydrophobicContact CG2-CE2 4.31Å; N276-F280 PolarHBondContact O-N 3.26Å; L277-F280 HydrophobicContact CD1-CD1 4.47Å; E278-F280 VanDerWaalsContact C-N 3.34Å; E278-F280 PolarHBondContact O-N 2.84Å; F280-R282 VanDerWaalsContact C-N 3.35Å; F280-R282 PolarHBondContact O-N 2.92Å; F280-R283 PolarHBondContact O-N 3.1Å; F280-R283 VanDerWaalsContact O-N 3.11Å; F280-F284 AromaticContact CD2-CD2 3.63Å; F280-F284 HydrophobicContact CD2-CD2 3.63Å; F280-F284 HydrophobicContact CD2-CE2 4.05Å; F280-F284 AromaticContact CE2-CD2 3.49Å; F280-F284 HydrophobicContact CE2-CD2 3.49Å; F280-F284 VanDerWaalsContact CE2-CD2 3.49Å; F280-F284 AromaticContact CE2-CE2 3.96Å; F280-F284 HydrophobicContact CE2-CE2 3.96Å; F280-F284 HydrophobicContact CE2-CG 4.3Å; F280-F284 HydrophobicContact CG-CD2 4.33Å; F280-F284 HydrophobicContact CZ-CB 4.37Å; F280-F284 HydrophobicContact CZ-CD2 4.1Å; F280-F284 PolarHBondContact O-N 2.88Å; F280-L296 HydrophobicContact CZ-CD1 4.3Å; F280-L453 HydrophobicContact CE2-CD2 3.62Å; F280-L453 HydrophobicContact CZ-CD2 3.77Å; F280-F456 HydrophobicContact CB-CD1 3.9Å; F280-F456 HydrophobicContact CB-CD2 4.42Å; F280-F456 HydrophobicContact CB-CE1 3.73Å; F280-F456 HydrophobicContact CB-CE2 4.25Å; F280-F456 HydrophobicContact CB-CG 4.26Å; F280-F456 HydrophobicContact CB-CZ 3.91Å; F280-F456 HydrophobicContact CD1-CB 4.07Å; F280-F456 HydrophobicContact CD1-CD1 4.24Å; F280-F456 HydrophobicContact CD1-CD2 4.49Å; F280-F456 HydrophobicContact CD1-CG 4.04Å; F280-F456 HydrophobicContact CD2-CB 4.43Å; F280-F456 HydrophobicContact CD2-CD1 4.34Å; F280-F456 AromaticContact CD2-CD2 3.46Å; F280-F456 HydrophobicContact CD2-CD2 3.46Å; F280-F456 VanDerWaalsContact CD2-CD2 3.46Å; F280-F456 AromaticContact CD2-CE2 3.64Å; F280-F456 HydrophobicContact CD2-CE2 3.64Å; F280-F456 AromaticContact CD2-CG 3.84Å; F280-F456 HydrophobicContact CD2-CG 3.84Å; F280-F456 HydrophobicContact CD2-CZ 4.19Å; F280-F456 HydrophobicContact CE1-CB 4.01Å; F280-F456 HydrophobicContact CE1-CG 4.37Å; F280-F456 HydrophobicContact CE2-CB 4.37Å; F280-F456 AromaticContact CE2-CD2 3.76Å; F280-F456 HydrophobicContact CE2-CD2 3.76Å; F280-F456 HydrophobicContact CE2-CE2 4.3Å; F280-F456 HydrophobicContact CE2-CG 4.19Å; F280-F456 HydrophobicContact CG-CB 4.28Å; F280-F456 AromaticContact CG-CD1 3.9Å; F280-F456 HydrophobicContact CG-CD1 3.9Å; F280-F456 AromaticContact CG-CD2 3.87Å; F280-F456 HydrophobicContact CG-CD2 3.87Å; F280-F456 HydrophobicContact CG-CE1 4.15Å; F280-F456 HydrophobicContact CG-CE2 4.1Å; F280-F456 AromaticContact CG-CG 3.76Å; F280-F456 HydrophobicContact CG-CG 3.76Å; F280-F456 HydrophobicContact CG-CZ 4.25Å; F280-F456 HydrophobicContact CZ-CB 4.16Å; F280-F456 HydrophobicContact CZ-CD2 4.39Å; F280-F456 HydrophobicContact CZ-CG 4.44Å; F280-I460 HydrophobicContact CD1-CD1 4.42Å; F280-I460 HydrophobicContact CE1-CD1 4.08Å
281	R	91.5	Very high	88.4	Confident	52 Å²	52	51.4 Å²	51.4	20%	0.196	28%	0.279	C	S	.	.	H	α-helix	trans	-59.7	-43.7	176.7	-78.7	177.8	171.3	149.4	0.3	111.8	L277 E278 E279 R283 F284 D285	L277-R281 HydrophobicContact CD1-CG 4.3Å; L277-R281 WeakPolarHBondContact O-CB 3.05Å; L277-R281 WeakPolarHBondContact O-CG 3.37Å; L277-R281 PolarHBondContact O-N 3.49Å; E278-R281 PolarHBondContact O-N 2.9Å; E279-R281 PolarHBondContact O-N 3.32Å; R281-R283 PolarHBondContact O-N 2.94Å; R281-R283 VanDerWaalsContact O-N 3.08Å; R281-F284 PolarHBondContact O-N 3.32Å; R281-D285 HydrophobicContact CB-CB 4.08Å; R281-D285 HydrophobicContact CG-CB 4.43Å; R281-D285 WeakPolarHBondContact O-CA 3.4Å; R281-D285 WeakPolarHBondContact O-CB 3.09Å; R281-D285 PolarHBondContact O-N 3.47Å
282	R	92	Very high	89.3	Confident	117 Å²	117	47.6 Å²	47.6	44%	0.442	25%	0.254	S	S	.	.	H	α-helix	trans	-58.1	-26.7	177.7	-165.4	-176.7	67.3	77.6	-5.9	113.2	E278 E279 F280 V289	E278-R282 WeakPolarHBondContact O-CB 3.43Å; E278-R282 PolarHBondContact O-N 3.5Å; E279-R282 PolarHBondContact O-N 3.44Å; E279-R282 IonicContact OE1-CZ 3.63Å; E279-R282 IonicContact OE1-NE 2.7Å; E279-R282 IonicContact OE1-NH2 2.79Å; E279-R282 PolarHBondContact OE1-NH2 3.36Å; E279-R282 IonicContact OE2-CZ 3.79Å; E279-R282 VanDerWaalsContact OE2-CZ 3.27Å; E279-R282 IonicContact OE2-NE 3.59Å; E279-R282 PolarHBondContact OE2-NE 3.43Å; E279-R282 IonicContact OE2-NH2 2.58Å; E279-R282 PolarHBondContact OE2-NH2 3.19Å; F280-R282 VanDerWaalsContact C-N 3.35Å; F280-R282 PolarHBondContact O-N 2.92Å; R282-V289 WeakPolarHBondContact O-CG2 3.43Å
283	R	92.2	Very high	89.7	Confident	67 Å²	67	47.4 Å²	47.4	25%	0.253	25%	0.245	S	C	.	.	H	α-helix	trans	-92.5	-32.4	-178.2	-62.9	-70.4	-177.3	157.1	5.1	113.8	E279 F280 R281	E279-R283 VanDerWaalsContact O-CG 3.23Å; E279-R283 WeakPolarHBondContact O-CG 3.4Å; E279-R283 PolarHBondContact O-N 2.94Å; E279-R283 IonicContact OE1-CZ 3.97Å; E279-R283 VanDerWaalsContact OE1-CZ 3.3Å; E279-R283 IonicContact OE1-NE 3.57Å; E279-R283 PolarHBondContact OE1-NE 3.05Å; E279-R283 IonicContact OE1-NH2 2.64Å; E279-R283 PolarHBondContact OE1-NH2 3.49Å; F280-R283 PolarHBondContact O-N 3.1Å; F280-R283 VanDerWaalsContact O-N 3.11Å; R281-R283 PolarHBondContact O-N 2.94Å; R281-R283 VanDerWaalsContact O-N 3.08Å
284	F	93.2	Very high	89.8	Confident	7 Å²	7	48.9 Å²	48.9	3%	0.031	26%	0.257	C	S	.	.	H	α-helix	trans	-132.1	-11.4	-166.5	-60.5	-69.7	0	0	0	115.8	V245 F280 R281 P286 G292 R295 L296	V245-F284 HydrophobicContact CG2-CE2 3.71Å; V245-F284 HydrophobicContact CG2-CZ 3.8Å; F280-F284 AromaticContact CD2-CD2 3.63Å; F280-F284 HydrophobicContact CD2-CD2 3.63Å; F280-F284 HydrophobicContact CD2-CE2 4.05Å; F280-F284 AromaticContact CE2-CD2 3.49Å; F280-F284 HydrophobicContact CE2-CD2 3.49Å; F280-F284 VanDerWaalsContact CE2-CD2 3.49Å; F280-F284 AromaticContact CE2-CE2 3.96Å; F280-F284 HydrophobicContact CE2-CE2 3.96Å; F280-F284 HydrophobicContact CE2-CG 4.3Å; F280-F284 HydrophobicContact CG-CD2 4.33Å; F280-F284 HydrophobicContact CZ-CB 4.37Å; F280-F284 HydrophobicContact CZ-CD2 4.1Å; F280-F284 PolarHBondContact O-N 2.88Å; R281-F284 PolarHBondContact O-N 3.32Å; F284-P286 WeakPolarHBondContact O-CD 3.47Å; F284-G292 WeakPolarHBondContact O-CA 3.4Å; F284-R295 HydrophobicContact CD1-CB 4.37Å; F284-R295 HydrophobicContact CE1-CB 4.24Å; F284-L296 HydrophobicContact CB-CD1 4.01Å; F284-L296 HydrophobicContact CB-CG 4.35Å; F284-L296 HydrophobicContact CD1-CD1 4.2Å; F284-L296 HydrophobicContact CD1-CD2 3.59Å; F284-L296 HydrophobicContact CD1-CG 3.6Å; F284-L296 HydrophobicContact CD2-CD2 4.3Å; F284-L296 HydrophobicContact CE1-CD2 3.56Å; F284-L296 HydrophobicContact CE1-CG 4.02Å; F284-L296 HydrophobicContact CE2-CD2 4.28Å; F284-L296 HydrophobicContact CG-CD1 4.15Å; F284-L296 HydrophobicContact CG-CD2 3.96Å; F284-L296 HydrophobicContact CG-CG 4.04Å; F284-L296 HydrophobicContact CZ-CD2 3.91Å
285	D	88.4	Confident	90	Very high	47 Å²	47	53 Å²	53	25%	0.251	27%	0.271	S	S	.	.			trans	-66.5	122.3	178.5	-169.2	-45.9	0	0	0	109.8	R281 S287 I288 V289	R281-D285 HydrophobicContact CB-CB 4.08Å; R281-D285 HydrophobicContact CG-CB 4.43Å; R281-D285 WeakPolarHBondContact O-CA 3.4Å; R281-D285 WeakPolarHBondContact O-CB 3.09Å; R281-D285 PolarHBondContact O-N 3.47Å; D285-S287 VanDerWaalsContact CG-OG 3.25Å; D285-S287 PolarHBondContact O-N 2.86Å; D285-S287 VanDerWaalsContact O-N 3.07Å; D285-S287 WeakPolarHBondContact OD1-CB 3.41Å; D285-S287 PolarHBondContact OD1-N 3.48Å; D285-S287 PolarHBondContact OD1-OG 3.22Å; D285-I288 HydrophobicContact CB-CD1 4.4Å; D285-I288 PolarHBondContact O-N 3.41Å; D285-V289 PolarHBondContact O-N 2.96Å
286	P	86.8	Confident	90.1	Very high	45 Å²	45	52.8 Å²	52.8	29%	0.292	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-24.7	-179.4	-29.4	38.7	0	0	0	115.1	L31 F284 I288 V289 L293	L31-P286 HydrophobicContact CD2-CG 3.66Å; F284-P286 WeakPolarHBondContact O-CD 3.47Å; P286-I288 VanDerWaalsContact C-N 3.28Å; P286-V289 WeakPolarHBondContact CA-O 3.29Å; P286-L293 HydrophobicContact CG-CD1 3.76Å; P286-L293 HydrophobicContact CG-CD2 4.49Å; P286-L293 HydrophobicContact CG-CG 3.76Å
287	S	87.8	Confident	90.1	Very high	98 Å²	98	54.5 Å²	54.5	69%	0.685	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-24.2	177	64.6	0	0	0	0	113.2	D285	D285-S287 VanDerWaalsContact CG-OG 3.25Å; D285-S287 PolarHBondContact O-N 2.86Å; D285-S287 VanDerWaalsContact O-N 3.07Å; D285-S287 WeakPolarHBondContact OD1-CB 3.41Å; D285-S287 PolarHBondContact OD1-N 3.48Å; D285-S287 PolarHBondContact OD1-OG 3.22Å
288	I	88.8	Confident	90.2	Very high	98 Å²	98	54.2 Å²	54.2	50%	0.503	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-44	179.9	-57.1	173.9	0	0	0	110.1	D285 P286	D285-I288 HydrophobicContact CB-CD1 4.4Å; D285-I288 PolarHBondContact O-N 3.41Å; P286-I288 VanDerWaalsContact C-N 3.28Å
289	V	88.8	Confident	90.4	Very high	22 Å²	22	47.9 Å²	47.9	13%	0.133	24%	0.244	C	C	.	.			trans	-124.3	96.2	-177.8	-176.8	0	0	0	0	107.6	R282 D285 P286 D291 G292	R282-V289 WeakPolarHBondContact O-CG2 3.43Å; D285-V289 PolarHBondContact O-N 2.96Å; P286-V289 WeakPolarHBondContact CA-O 3.29Å; V289-D291 PolarHBondContact O-N 3.22Å; V289-D291 VanDerWaalsContact O-N 3.11Å; V289-G292 WeakPolarHBondContact O-CA 3.24Å; V289-G292 PolarHBondContact O-N 3.05Å
290	P	86.8	Confident	90.4	Very high	104 Å²	104	47.1 Å²	47.1	68%	0.675	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-39.7	-175.6	-30.5	36.3	0	0	0	114	G292	P290-G292 VanDerWaalsContact C-N 3.28Å; P290-G292 PolarHBondContact O-N 3.4Å
291	D	86.4	Confident	90.4	Very high	84 Å²	84	46.7 Å²	46.7	45%	0.449	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	10.1	179.2	-57.2	-44.7	0	0	0	114.2	V289 L293 T294 R295	V289-D291 PolarHBondContact O-N 3.22Å; V289-D291 VanDerWaalsContact O-N 3.11Å; D291-L293 VanDerWaalsContact C-N 3.26Å; D291-L293 PolarHBondContact O-N 3.43Å; D291-T294 WeakPolarHBondContact O-CB 3.42Å; D291-T294 PolarHBondContact O-N 3.18Å; D291-R295 WeakPolarHBondContact O-CG 3.46Å; D291-R295 PolarHBondContact O-N 3.36Å
292	G	88.1	Confident	90.5	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-56.2	-38.6	-175.3	0	0	0	0	0	113.2	F284 V289 P290 R295 L296	F284-G292 WeakPolarHBondContact O-CA 3.4Å; V289-G292 WeakPolarHBondContact O-CA 3.24Å; V289-G292 PolarHBondContact O-N 3.05Å; P290-G292 VanDerWaalsContact C-N 3.28Å; P290-G292 PolarHBondContact O-N 3.4Å; G292-R295 WeakPolarHBondContact O-CB 3.27Å; G292-R295 PolarHBondContact O-N 2.91Å; G292-L296 WeakPolarHBondContact O-CG 3.41Å; G292-L296 PolarHBondContact O-N 2.95Å; G292-L296 VanDerWaalsContact O-N 3.15Å
293	L	88.2	Confident	90.6	Very high	30 Å²	30	38.7 Å²	38.7	16%	0.157	21%	0.209	C	C	.	.	H	α-helix	trans	-70.2	-40.5	175.1	-68.3	173.6	0	0	0	113.1	L31 L32 P286 D291 R295 L296 R297	L31-L293 HydrophobicContact CB-CD1 4.24Å; L31-L293 HydrophobicContact CB-CD2 3.81Å; L31-L293 HydrophobicContact CD2-CD1 4.03Å; L31-L293 HydrophobicContact CD2-CD2 3.89Å; L31-L293 HydrophobicContact CD2-CG 4.29Å; L31-L293 HydrophobicContact CG-CD1 3.82Å; L31-L293 HydrophobicContact CG-CD2 4.06Å; L31-L293 HydrophobicContact CG-CG 4.47Å; L32-L293 HydrophobicContact CD2-CD2 3.73Å; L32-L293 HydrophobicContact CG-CD2 4.06Å; P286-L293 HydrophobicContact CG-CD1 3.76Å; P286-L293 HydrophobicContact CG-CD2 4.49Å; P286-L293 HydrophobicContact CG-CG 3.76Å; D291-L293 VanDerWaalsContact C-N 3.26Å; D291-L293 PolarHBondContact O-N 3.43Å; L293-R295 VanDerWaalsContact C-N 3.26Å; L293-R295 PolarHBondContact O-N 2.85Å; L293-L296 PolarHBondContact O-N 3.05Å; L293-L296 VanDerWaalsContact O-N 3.16Å; L293-R297 WeakPolarHBondContact O-CG 3.28Å; L293-R297 PolarHBondContact O-N 3.17Å
294	T	88.8	Confident	90.6	Very high	61 Å²	61	35.6 Å²	35.6	37%	0.374	20%	0.197	S	C	.	.	H	α-helix	trans	-60.5	-41.3	175.7	-53.8	0	0	0	0	110.3	D291 L296 R297 N298	D291-T294 WeakPolarHBondContact O-CB 3.42Å; D291-T294 PolarHBondContact O-N 3.18Å; T294-L296 VanDerWaalsContact C-N 3.35Å; T294-L296 PolarHBondContact O-N 2.82Å; T294-R297 PolarHBondContact O-N 2.91Å; T294-N298 VanDerWaalsContact O-CG 3.31Å; T294-N298 PolarHBondContact O-N 3.46Å
295	R	92.6	Very high	90.5	Very high	90 Å²	90	35.4 Å²	35.4	34%	0.34	20%	0.197	S	C	.	.	H	α-helix	trans	-59.6	-43.2	173.9	-69.6	176.2	-173.1	-175.5	1.5	112.1	S241 F284 D291 G292 L293 N298 L299	S241-R295 WeakPolarHBondContact CB-O 3.28Å; S241-R295 WeakPolarHBondContact OG-CB 3.5Å; S241-R295 PolarHBondContact OG-O 3.41Å; F284-R295 HydrophobicContact CD1-CB 4.37Å; F284-R295 HydrophobicContact CE1-CB 4.24Å; D291-R295 WeakPolarHBondContact O-CG 3.46Å; D291-R295 PolarHBondContact O-N 3.36Å; G292-R295 WeakPolarHBondContact O-CB 3.27Å; G292-R295 PolarHBondContact O-N 2.91Å; L293-R295 VanDerWaalsContact C-N 3.26Å; L293-R295 PolarHBondContact O-N 2.85Å; R295-N298 WeakPolarHBondContact O-CB 3.02Å; R295-N298 PolarHBondContact O-N 3.38Å; R295-L299 PolarHBondContact O-N 3.43Å
296	L	92.9	Very high	90.8	Very high	6 Å²	6	33.3 Å²	33.3	3%	0.031	19%	0.185	C	C	.	.	H	α-helix	trans	-68.9	-35.5	175.4	-68.5	178.5	0	0	0	112.4	L32 V245 F280 F284 G292 L293 T294 N298 L299 Y300 L453	L32-L296 HydrophobicContact CD1-CD1 4.01Å; L32-L296 HydrophobicContact CD2-CB 3.51Å; L32-L296 HydrophobicContact CD2-CD1 3.87Å; L32-L296 HydrophobicContact CD2-CG 4.34Å; L32-L296 HydrophobicContact CG-CD1 4.38Å; V245-L296 HydrophobicContact CG2-CD2 4.21Å; F280-L296 HydrophobicContact CZ-CD1 4.3Å; F284-L296 HydrophobicContact CB-CD1 4.01Å; F284-L296 HydrophobicContact CB-CG 4.35Å; F284-L296 HydrophobicContact CD1-CD1 4.2Å; F284-L296 HydrophobicContact CD1-CD2 3.59Å; F284-L296 HydrophobicContact CD1-CG 3.6Å; F284-L296 HydrophobicContact CD2-CD2 4.3Å; F284-L296 HydrophobicContact CE1-CD2 3.56Å; F284-L296 HydrophobicContact CE1-CG 4.02Å; F284-L296 HydrophobicContact CE2-CD2 4.28Å; F284-L296 HydrophobicContact CG-CD1 4.15Å; F284-L296 HydrophobicContact CG-CD2 3.96Å; F284-L296 HydrophobicContact CG-CG 4.04Å; F284-L296 HydrophobicContact CZ-CD2 3.91Å; G292-L296 WeakPolarHBondContact O-CG 3.41Å; G292-L296 PolarHBondContact O-N 2.95Å; G292-L296 VanDerWaalsContact O-N 3.15Å; L293-L296 PolarHBondContact O-N 3.05Å; L293-L296 VanDerWaalsContact O-N 3.16Å; T294-L296 VanDerWaalsContact C-N 3.35Å; T294-L296 PolarHBondContact O-N 2.82Å; L296-N298 VanDerWaalsContact C-N 3.28Å; L296-N298 PolarHBondContact O-N 2.85Å; L296-L299 VanDerWaalsContact O-CB 3.28Å; L296-L299 WeakPolarHBondContact O-CB 3.39Å; L296-L299 PolarHBondContact O-N 3Å; L296-Y300 VanDerWaalsContact O-CD2 3.27Å; L296-Y300 WeakPolarHBondContact O-CD2 3.44Å; L296-Y300 PolarHBondContact O-N 2.85Å; L296-L453 HydrophobicContact CD1-CD2 4.48Å; L296-L453 HydrophobicContact CD2-CD1 4.28Å; L296-L453 HydrophobicContact CD2-CD2 3.81Å
297	R	91.7	Very high	91.1	Very high	47 Å²	47	31.5 Å²	31.5	18%	0.177	17%	0.173	C	C	.	.	H	α-helix	trans	-62.8	-35.7	171.1	-70.6	-176.8	178.7	99.3	7.9	112	L31 I43 L293 T294 L299 Y300 F301	L31-R297 PolarHBondContact O-NH2 2.71Å; I43-R297 HydrophobicContact CD1-CG 4.15Å; L293-R297 WeakPolarHBondContact O-CG 3.28Å; L293-R297 PolarHBondContact O-N 3.17Å; T294-R297 PolarHBondContact O-N 2.91Å; R297-L299 VanDerWaalsContact C-N 3.3Å; R297-L299 PolarHBondContact O-N 3.21Å; R297-Y300 PolarHBondContact O-N 3.33Å; R297-F301 PolarHBondContact O-N 2.76Å
298	N	92.7	Very high	91.2	Very high	5 Å²	5	29.7 Å²	29.7	3%	0.027	15%	0.151	C	C	.	.	H	α-helix	trans	-67.5	-29.3	175.2	-71	-16.3	0	0	0	112.9	R234 S237 G238 T294 R295 L296 F301 T302	R234-N298 VanDerWaalsContact CG-OD1 3.29Å; R234-N298 WeakPolarHBondContact CG-OD1 3.5Å; R234-N298 PolarHBondContact NE-OD1 3.41Å; R234-N298 WeakPolarHBondContact O-CB 3.06Å; S237-N298 VanDerWaalsContact CB-ND2 3.35Å; S237-N298 WeakPolarHBondContact CB-ND2 3.35Å; S237-N298 PolarHBondContact OG-ND2 2.9Å; G238-N298 VanDerWaalsContact CA-O 3.26Å; G238-N298 WeakPolarHBondContact CA-O 3.31Å; T294-N298 VanDerWaalsContact O-CG 3.31Å; T294-N298 PolarHBondContact O-N 3.46Å; R295-N298 WeakPolarHBondContact O-CB 3.02Å; R295-N298 PolarHBondContact O-N 3.38Å; L296-N298 VanDerWaalsContact C-N 3.28Å; L296-N298 PolarHBondContact O-N 2.85Å; N298-F301 WeakPolarHBondContact O-CB 3.4Å; N298-F301 PolarHBondContact O-N 2.8Å; N298-T302 PolarHBondContact O-N 3.47Å; N298-T302 PolarHBondContact O-OG1 3.4Å
299	L	95.2	Very high	91.3	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-59.2	-48.1	169.3	171.2	66.2	0	0	0	110.8	R295 L296 R297 F301 T302 Y303 L446 I450 L453	R295-L299 PolarHBondContact O-N 3.43Å; L296-L299 VanDerWaalsContact O-CB 3.28Å; L296-L299 WeakPolarHBondContact O-CB 3.39Å; L296-L299 PolarHBondContact O-N 3Å; R297-L299 VanDerWaalsContact C-N 3.3Å; R297-L299 PolarHBondContact O-N 3.21Å; L299-F301 VanDerWaalsContact C-N 3.34Å; L299-F301 PolarHBondContact O-N 3.24Å; L299-T302 PolarHBondContact O-N 3.21Å; L299-Y303 WeakPolarHBondContact O-CB 3.3Å; L299-Y303 PolarHBondContact O-N 3.34Å; L299-L446 HydrophobicContact CD1-CD2 3.63Å; L299-I450 HydrophobicContact CD2-CG1 4.33Å; L299-I450 HydrophobicContact CG-CG1 4.4Å; L299-L453 HydrophobicContact CD2-CD1 3.92Å
300	Y	93	Very high	91.5	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-63.6	-39	175.7	-72.6	-85.5	0	0	0	112.3	I43 I46 T47 L296 R297 T302 Y303 L304 I450 L453	I43-Y300 HydrophobicContact CD1-CD2 4.47Å; I43-Y300 HydrophobicContact CG1-CD2 4.38Å; I43-Y300 HydrophobicContact CG1-CG 4.35Å; I43-Y300 HydrophobicContact CG2-CD1 4.34Å; I43-Y300 HydrophobicContact CG2-CD2 4.27Å; I43-Y300 HydrophobicContact CG2-CE1 3.85Å; I43-Y300 HydrophobicContact CG2-CE2 3.8Å; I46-Y300 HydrophobicContact CB-CD1 4.29Å; I46-Y300 HydrophobicContact CB-CE1 4.49Å; I46-Y300 HydrophobicContact CG2-CD1 3.86Å; I46-Y300 HydrophobicContact CG2-CE1 4.18Å; T47-Y300 WeakPolarHBondContact OG1-CE1 3.47Å; T47-Y300 PolarHBondContact OG1-OH 2.73Å; L296-Y300 VanDerWaalsContact O-CD2 3.27Å; L296-Y300 WeakPolarHBondContact O-CD2 3.44Å; L296-Y300 PolarHBondContact O-N 2.85Å; R297-Y300 PolarHBondContact O-N 3.33Å; Y300-T302 PolarHBondContact O-N 3.01Å; Y300-Y303 PolarHBondContact O-N 3.49Å; Y300-L304 VanDerWaalsContact O-CG 3.27Å; Y300-L304 WeakPolarHBondContact O-CG 3.23Å; Y300-L304 PolarHBondContact O-N 2.89Å; Y300-I450 HydrophobicContact CD1-CD1 3.77Å; Y300-I450 HydrophobicContact CD1-CG1 4.27Å; Y300-I450 HydrophobicContact CE1-CD1 3.78Å; Y300-I450 HydrophobicContact CE1-CG1 3.91Å; Y300-I450 HydrophobicContact CE1-CG2 3.88Å; Y300-L453 HydrophobicContact CE2-CD1 3.91Å
301	F	91.8	Very high	91.7	Very high	1 Å²	1	19.4 Å²	19.4	0%	0.004	9%	0.092	C	C	.	.	H	α-helix	trans	-56.1	-51	173.9	-179	-89.1	0	0	0	111.3	V36 I39 A231 R234 M235 R297 N298 L299 Y303 L304 V305 L356	V36-F301 HydrophobicContact CG1-CB 4.14Å; V36-F301 HydrophobicContact CG1-CD2 4.45Å; I39-F301 HydrophobicContact CD1-CD2 3.26Å; I39-F301 HydrophobicContact CD1-CE2 3.57Å; I39-F301 HydrophobicContact CD1-CG 4.11Å; I39-F301 HydrophobicContact CG1-CD2 4.03Å; I39-F301 HydrophobicContact CG1-CE2 4.01Å; A231-F301 HydrophobicContact CB-CE1 4.36Å; A231-F301 HydrophobicContact CB-CZ 3.92Å; R234-F301 HydrophobicContact CB-CD1 3.58Å; R234-F301 HydrophobicContact CB-CE1 3.81Å; R234-F301 HydrophobicContact CB-CG 3.99Å; R234-F301 HydrophobicContact CB-CZ 4.4Å; R234-F301 VanDerWaalsContact NH1-CD2 3.27Å; M235-F301 HydrophobicContact CG-CD1 4.22Å; M235-F301 HydrophobicContact CG-CE1 3.77Å; R297-F301 PolarHBondContact O-N 2.76Å; N298-F301 WeakPolarHBondContact O-CB 3.4Å; N298-F301 PolarHBondContact O-N 2.8Å; L299-F301 VanDerWaalsContact C-N 3.34Å; L299-F301 PolarHBondContact O-N 3.24Å; F301-Y303 PolarHBondContact O-N 3.05Å; F301-L304 PolarHBondContact O-N 3.13Å; F301-V305 HydrophobicContact CD1-CG2 4.15Å; F301-V305 HydrophobicContact CE1-CG2 3.8Å; F301-V305 HydrophobicContact CZ-CG2 4.16Å; F301-V305 WeakPolarHBondContact O-CG2 3.14Å; F301-V305 PolarHBondContact O-N 2.9Å; F301-L356 HydrophobicContact CZ-CD1 4.21Å; F301-L356 HydrophobicContact CZ-CD2 4.26Å
302	T	94	Very high	91.8	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-65.1	-41.7	-178.7	-50.4	0	0	0	0	111.5	R234 M235 G238 N298 L299 Y300 L304 V305 E306 M401 L446	R234-T302 PolarHBondContact O-OG1 3.5Å; M235-T302 WeakPolarHBondContact CA-OG1 3.46Å; M235-T302 PolarHBondContact O-OG1 3.27Å; G238-T302 VanDerWaalsContact CA-OG1 3.32Å; G238-T302 WeakPolarHBondContact CA-OG1 3.25Å; N298-T302 PolarHBondContact O-N 3.47Å; N298-T302 PolarHBondContact O-OG1 3.4Å; L299-T302 PolarHBondContact O-N 3.21Å; Y300-T302 PolarHBondContact O-N 3.01Å; T302-L304 VanDerWaalsContact C-N 3.3Å; T302-L304 PolarHBondContact O-N 3.2Å; T302-V305 PolarHBondContact O-N 2.91Å; T302-E306 PolarHBondContact O-N 3.13Å; T302-M401 HydrophobicContact CG2-CE 4.35Å; T302-L446 HydrophobicContact CG2-CD1 3.86Å; T302-L446 HydrophobicContact CG2-CD2 4.04Å
303	Y	95	Very high	91.9	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-55	-45	172.8	172.3	-89.7	0	0	0	112	I46 N50 L299 Y300 F301 L307 F443 L446 I450	I46-Y303 HydrophobicContact CG2-CD1 3.87Å; I46-Y303 HydrophobicContact CG2-CE1 3.63Å; N50-Y303 WeakPolarHBondContact OD1-CE2 3.42Å; N50-Y303 PolarHBondContact OD1-OH 3.02Å; L299-Y303 WeakPolarHBondContact O-CB 3.3Å; L299-Y303 PolarHBondContact O-N 3.34Å; Y300-Y303 PolarHBondContact O-N 3.49Å; F301-Y303 PolarHBondContact O-N 3.05Å; Y303-L307 HydrophobicContact CE1-CB 4.48Å; Y303-L307 HydrophobicContact CE1-CD2 3.87Å; Y303-L307 WeakPolarHBondContact O-CB 3.49Å; Y303-L307 PolarHBondContact O-N 3.17Å; Y303-F443 HydrophobicContact CD2-CD2 4.34Å; Y303-F443 AromaticContact CD2-CE2 3.57Å; Y303-F443 HydrophobicContact CD2-CE2 3.57Å; Y303-F443 HydrophobicContact CD2-CZ 4.08Å; Y303-F443 HydrophobicContact CE2-CD2 4.43Å; Y303-F443 HydrophobicContact CE2-CE1 4.46Å; Y303-F443 AromaticContact CE2-CE2 3.36Å; Y303-F443 HydrophobicContact CE2-CE2 3.36Å; Y303-F443 AromaticContact CE2-CZ 3.38Å; Y303-F443 HydrophobicContact CE2-CZ 3.38Å; Y303-F443 HydrophobicContact CG-CE2 4.27Å; Y303-F443 AromaticContact CZ-CE2 3.9Å; Y303-F443 AromaticContact CZ-CZ 3.77Å; Y303-L446 HydrophobicContact CD2-CB 4.07Å; Y303-I450 HydrophobicContact CD1-CD1 3.85Å; Y303-I450 HydrophobicContact CD2-CD1 3.51Å; Y303-I450 HydrophobicContact CE1-CD1 4.34Å; Y303-I450 HydrophobicContact CE2-CD1 4.02Å; Y303-I450 HydrophobicContact CG-CD1 3.4Å; Y303-I450 VanDerWaalsContact CG-CD1 3.4Å
304	L	92	Very high	92.1	Very high	2 Å²	2	15.4 Å²	15.4	1%	0.01	7%	0.069	C	C	.	.	H	α-helix	trans	-68.3	-37.6	-179.7	-70.7	171.8	0	0	0	112.7	V36 I39 A41 I46 Y300 F301 T302 L307 R308 I350 F351	V36-L304 HydrophobicContact CB-CD1 4.5Å; V36-L304 HydrophobicContact CG1-CD1 4.49Å; V36-L304 HydrophobicContact CG2-CD1 4.3Å; I39-L304 HydrophobicContact CD1-CB 4.25Å; I39-L304 HydrophobicContact CD1-CD1 3.88Å; I39-L304 HydrophobicContact CG2-CD1 4.07Å; A41-L304 HydrophobicContact CB-CD1 3.85Å; I46-L304 HydrophobicContact CD1-CD1 3.78Å; I46-L304 HydrophobicContact CD1-CD2 3.94Å; I46-L304 HydrophobicContact CD1-CG 4.17Å; I46-L304 HydrophobicContact CG1-CD2 4.2Å; Y300-L304 VanDerWaalsContact O-CG 3.27Å; Y300-L304 WeakPolarHBondContact O-CG 3.23Å; Y300-L304 PolarHBondContact O-N 2.89Å; F301-L304 PolarHBondContact O-N 3.13Å; T302-L304 VanDerWaalsContact C-N 3.3Å; T302-L304 PolarHBondContact O-N 3.2Å; L304-L307 HydrophobicContact CD2-CD2 4.43Å; L304-R308 WeakPolarHBondContact O-CB 3.31Å; L304-R308 PolarHBondContact O-N 3.46Å; L304-I350 HydrophobicContact CD2-CG2 3.77Å; L304-F351 HydrophobicContact CB-CD2 4.34Å
305	V	90.5	Very high	92.2	Very high	4 Å²	4	14.8 Å²	14.8	2%	0.024	7%	0.066	C	C	.	.	H	α-helix	trans	-62.6	-48.9	176.1	174.9	0	0	0	0	110.6	M235 F301 T302 R308 A309 F351 L408	M235-V305 HydrophobicContact CE-CB 4.35Å; M235-V305 HydrophobicContact CE-CG1 3.63Å; M235-V305 HydrophobicContact SD-CG1 3.97Å; F301-V305 HydrophobicContact CD1-CG2 4.15Å; F301-V305 HydrophobicContact CE1-CG2 3.8Å; F301-V305 HydrophobicContact CZ-CG2 4.16Å; F301-V305 WeakPolarHBondContact O-CG2 3.14Å; F301-V305 PolarHBondContact O-N 2.9Å; T302-V305 PolarHBondContact O-N 2.91Å; V305-R308 PolarHBondContact O-N 3.29Å; V305-A309 PolarHBondContact O-N 2.92Å; V305-F351 HydrophobicContact CG2-CE2 3.91Å; V305-F351 HydrophobicContact CG2-CZ 3.88Å; V305-L408 HydrophobicContact CG1-CD1 3.62Å
306	E	94	Very high	92.1	Very high	2 Å²	2	12 Å²	12	1%	0.009	6%	0.056	C	C	.	.	H	α-helix	trans	-70	-37.5	178.4	-70	-167.8	-166.2	0	0	112.8	T302 R308 A309 L310 M401 A404 A442 F443 L446	T302-E306 PolarHBondContact O-N 3.13Å; E306-R308 VanDerWaalsContact C-N 3.28Å; E306-R308 PolarHBondContact O-N 2.96Å; E306-A309 WeakPolarHBondContact O-CB 3.45Å; E306-A309 PolarHBondContact O-N 3.18Å; E306-L310 PolarHBondContact O-N 3.25Å; E306-M401 WeakPolarHBondContact OE1-CG 3.25Å; E306-A404 HydrophobicContact CG-CB 3.93Å; E306-A442 VanDerWaalsContact OE2-C 3.31Å; E306-F443 HydrophobicContact CB-CB 4.41Å; E306-F443 HydrophobicContact CB-CD2 3.89Å; E306-F443 WeakPolarHBondContact OE2-CA 3.48Å; E306-F443 PolarHBondContact OE2-N 3.18Å; E306-L446 HydrophobicContact CB-CD1 4.19Å; E306-L446 HydrophobicContact CG-CD1 3.97Å; E306-L446 VanDerWaalsContact OE2-CD1 3.31Å; E306-L446 WeakPolarHBondContact OE2-CD1 3.31Å
307	L	93.6	Very high	92.1	Very high	8 Å²	8	11.7 Å²	11.7	4%	0.042	6%	0.055	C	C	.	.	H	α-helix	trans	-58.2	-43.7	173	-177.6	69.2	0	0	0	110.8	F49 Y303 L304 L310 A311 I344 F443	F49-L307 HydrophobicContact CE1-CD1 4.46Å; F49-L307 HydrophobicContact CE1-CD2 4.12Å; Y303-L307 HydrophobicContact CE1-CB 4.48Å; Y303-L307 HydrophobicContact CE1-CD2 3.87Å; Y303-L307 WeakPolarHBondContact O-CB 3.49Å; Y303-L307 PolarHBondContact O-N 3.17Å; L304-L307 HydrophobicContact CD2-CD2 4.43Å; L307-L310 PolarHBondContact O-N 3.22Å; L307-A311 WeakPolarHBondContact O-CB 3.35Å; L307-A311 PolarHBondContact O-N 2.95Å; L307-I344 HydrophobicContact CD1-CB 4.3Å; L307-I344 HydrophobicContact CD1-CD1 3.65Å; L307-I344 HydrophobicContact CD1-CG1 3.76Å; L307-I344 HydrophobicContact CD1-CG2 3.61Å; L307-I344 HydrophobicContact CG-CG2 4.14Å; L307-F443 HydrophobicContact CB-CE2 3.75Å; L307-F443 HydrophobicContact CB-CZ 4.3Å; L307-F443 HydrophobicContact CD1-CE1 4.47Å; L307-F443 HydrophobicContact CD1-CE2 3.94Å; L307-F443 HydrophobicContact CD1-CZ 3.59Å; L307-F443 HydrophobicContact CG-CE2 4.45Å
308	R	89.6	Confident	92.2	Very high	59 Å²	59	11.9 Å²	11.9	22%	0.223	6%	0.058	C	C	.	.	H	α-helix	trans	-63.4	-43.6	176.6	179.4	69.2	-174.9	163.6	6.7	111.2	L304 V305 E306 L310 A311 K312 G348 F351 E353 L408	L304-R308 WeakPolarHBondContact O-CB 3.31Å; L304-R308 PolarHBondContact O-N 3.46Å; V305-R308 PolarHBondContact O-N 3.29Å; E306-R308 VanDerWaalsContact C-N 3.28Å; E306-R308 PolarHBondContact O-N 2.96Å; R308-L310 VanDerWaalsContact C-N 3.33Å; R308-L310 PolarHBondContact O-N 2.68Å; R308-A311 WeakPolarHBondContact O-CB 3.46Å; R308-A311 PolarHBondContact O-N 3.38Å; R308-A311 VanDerWaalsContact O-N 3.17Å; R308-K312 WeakPolarHBondContact O-CB 3.43Å; R308-K312 PolarHBondContact O-N 3.45Å; R308-G348 PolarHBondContact NH1-O 2.94Å; R308-F351 HydrophobicContact CB-CB 4.28Å; R308-F351 HydrophobicContact CB-CD1 3.59Å; R308-F351 HydrophobicContact CB-CE1 4.13Å; R308-F351 HydrophobicContact CB-CG 4.21Å; R308-F351 WeakPolarHBondContact CD-O 3.4Å; R308-F351 HydrophobicContact CG-CD1 3.51Å; R308-F351 HydrophobicContact CG-CE1 4.01Å; R308-F351 HydrophobicContact CG-CG 4.48Å; R308-E353 IonicContact CZ-OE2 3.3Å; R308-E353 IonicContact NE-OE2 2.7Å; R308-E353 PolarHBondContact NE-OE2 3.17Å; R308-E353 IonicContact NH2-OE1 2.66Å; R308-E353 IonicContact NH2-OE2 3.3Å; R308-E353 PolarHBondContact NH2-OE2 3.02Å; R308-L408 HydrophobicContact CB-CD2 4.09Å; R308-L408 HydrophobicContact CG-CD2 3.49Å; R308-L408 VanDerWaalsContact CG-CD2 3.49Å
309	A	91.4	Very high	92.1	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-59.1	-45.8	177.5	0	0	0	0	0	111.1	V305 E306 A311 K312 A313 A404 I407 L408	V305-A309 PolarHBondContact O-N 2.92Å; E306-A309 WeakPolarHBondContact O-CB 3.45Å; E306-A309 PolarHBondContact O-N 3.18Å; A309-A311 VanDerWaalsContact C-N 3.35Å; A309-A311 PolarHBondContact O-N 3.37Å; A309-K312 PolarHBondContact O-N 3.2Å; A309-A313 WeakPolarHBondContact O-CB 3.45Å; A309-A313 PolarHBondContact O-N 3.46Å; A309-A404 HydrophobicContact CB-CB 3.6Å; A309-A404 WeakPolarHBondContact CB-O 3.25Å; A309-I407 HydrophobicContact CB-CB 4.23Å; A309-I407 HydrophobicContact CB-CD1 4.28Å; A309-I407 HydrophobicContact CB-CG2 4.26Å; A309-I407 WeakPolarHBondContact O-CG2 3.48Å; A309-L408 HydrophobicContact CB-CD1 4.44Å; A309-L408 HydrophobicContact CB-CD2 4.31Å; A309-L408 HydrophobicContact CB-CG 4.04Å
310	L	93.7	Very high	91.8	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-59.6	-43.3	173.5	-75.6	167.4	0	0	0	112.3	E306 L307 R308 A313 A314 L317 F340 L439 F440 F443	E306-L310 PolarHBondContact O-N 3.25Å; L307-L310 PolarHBondContact O-N 3.22Å; R308-L310 VanDerWaalsContact C-N 3.33Å; R308-L310 PolarHBondContact O-N 2.68Å; L310-A313 PolarHBondContact O-N 3.32Å; L310-A314 WeakPolarHBondContact O-CB 3.33Å; L310-A314 PolarHBondContact O-N 3.24Å; L310-L317 HydrophobicContact CD2-CD1 4.02Å; L310-F340 HydrophobicContact CD1-CE1 4.19Å; L310-F340 HydrophobicContact CD1-CZ 4.25Å; L310-L439 HydrophobicContact CD2-CD2 3.69Å; L310-L439 HydrophobicContact CD2-CG 3.86Å; L310-L439 HydrophobicContact CG-CD2 4.31Å; L310-L439 HydrophobicContact CG-CG 4.26Å; L310-F440 HydrophobicContact CD2-CD2 4.08Å; L310-F440 HydrophobicContact CD2-CE1 4.36Å; L310-F440 HydrophobicContact CD2-CE2 3.78Å; L310-F440 HydrophobicContact CD2-CZ 3.94Å; L310-F443 HydrophobicContact CD1-CB 3.77Å; L310-F443 HydrophobicContact CD1-CD1 3.43Å; L310-F443 VanDerWaalsContact CD1-CD1 3.43Å; L310-F443 HydrophobicContact CD1-CD2 3.99Å; L310-F443 HydrophobicContact CD1-CE1 4.04Å; L310-F443 HydrophobicContact CD1-CG 3.4Å
311	A	91.6	Very high	91.4	Very high	8 Å²	8	26 Å²	26	7%	0.066	13%	0.127	C	C	.	.	H	α-helix	trans	-61.7	-43.5	177	0	0	0	0	0	112.3	L307 R308 A309 A314 I344	L307-A311 WeakPolarHBondContact O-CB 3.35Å; L307-A311 PolarHBondContact O-N 2.95Å; R308-A311 WeakPolarHBondContact O-CB 3.46Å; R308-A311 PolarHBondContact O-N 3.38Å; R308-A311 VanDerWaalsContact O-N 3.17Å; A309-A311 VanDerWaalsContact C-N 3.35Å; A309-A311 PolarHBondContact O-N 3.37Å; A311-A314 WeakPolarHBondContact O-CB 3.05Å; A311-A314 PolarHBondContact O-N 3.2Å; A311-I344 HydrophobicContact CB-CG2 3.62Å
312	K	87.5	Confident	91.2	Very high	30 Å²	30	26 Å²	26	13%	0.13	13%	0.128	C	C	.	.	H	α-helix	trans	-66.6	-48	178.7	-178	169.2	-179.8	160	0	110.5	R308 A309 A314 P315 E353 I407 L408 S410 V413	R308-K312 WeakPolarHBondContact O-CB 3.43Å; R308-K312 PolarHBondContact O-N 3.45Å; A309-K312 PolarHBondContact O-N 3.2Å; K312-A314 PolarHBondContact O-N 2.93Å; K312-P315 VanDerWaalsContact O-CD 3.3Å; K312-P315 WeakPolarHBondContact O-CD 2.89Å; K312-E353 IonicContact NZ-OE1 3.76Å; K312-E353 PolarHBondContact NZ-OE1 3.44Å; K312-I407 HydrophobicContact CB-CG2 4.01Å; K312-I407 HydrophobicContact CD-CG2 4.23Å; K312-I407 WeakPolarHBondContact CE-O 3.49Å; K312-I407 HydrophobicContact CG-CG2 4.07Å; K312-L408 HydrophobicContact CD-CD2 4.44Å; K312-L408 PolarHBondContact NZ-O 3.21Å; K312-S410 WeakPolarHBondContact CE-O 3.36Å; K312-S410 PolarHBondContact NZ-O 2.83Å; K312-V413 HydrophobicContact CG-CB 4.27Å; K312-V413 HydrophobicContact CG-CG1 4.07Å; K312-V413 WeakPolarHBondContact O-CG1 3.46Å
313	A	90.4	Very high	90.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-75.7	-5.2	179.3	0	0	0	0	0	114.3	A309 L310 P315 Y316 L317 I407	A309-A313 WeakPolarHBondContact O-CB 3.45Å; A309-A313 PolarHBondContact O-N 3.46Å; L310-A313 PolarHBondContact O-N 3.32Å; A313-P315 VanDerWaalsContact C-CD 3.47Å; A313-Y316 WeakPolarHBondContact O-CA 3.26Å; A313-Y316 WeakPolarHBondContact O-CB 3.5Å; A313-Y316 PolarHBondContact O-N 3.37Å; A313-L317 HydrophobicContact CB-CD1 3.84Å; A313-L317 HydrophobicContact CB-CG 4.05Å; A313-L317 WeakPolarHBondContact O-CG 3.18Å; A313-L317 PolarHBondContact O-N 3.41Å; A313-I407 HydrophobicContact CB-CD1 3.8Å; A313-I407 HydrophobicContact CB-CG1 4.05Å; A313-I407 HydrophobicContact CB-CG2 3.78Å
314	A	92.3	Very high	90	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-51.1	-44.6	-175.9	0	0	0	0	0	114.6	L310 A311 K312 Y316 L317 M318 L341 Q345	L310-A314 WeakPolarHBondContact O-CB 3.33Å; L310-A314 PolarHBondContact O-N 3.24Å; A311-A314 WeakPolarHBondContact O-CB 3.05Å; A311-A314 PolarHBondContact O-N 3.2Å; K312-A314 PolarHBondContact O-N 2.93Å; A314-Y316 VanDerWaalsContact C-N 3.26Å; A314-Y316 PolarHBondContact O-N 3.11Å; A314-L317 PolarHBondContact O-N 3.05Å; A314-M318 HydrophobicContact CB-CE 4.44Å; A314-M318 WeakPolarHBondContact O-CB 3.49Å; A314-M318 VanDerWaalsContact O-CG 3.25Å; A314-M318 WeakPolarHBondContact O-CG 3.49Å; A314-M318 PolarHBondContact O-N 2.71Å; A314-L341 HydrophobicContact CB-CB 3.97Å; A314-L341 HydrophobicContact CB-CD1 4.45Å; A314-L341 HydrophobicContact CB-CD2 4Å; A314-L341 HydrophobicContact CB-CG 4.35Å; A314-Q345 VanDerWaalsContact CB-CD 3.46Å; A314-Q345 HydrophobicContact CB-CG 3.53Å; A314-Q345 VanDerWaalsContact CB-NE2 3.28Å
315	P	90.6	Very high	89.2	Confident	48 Å²	48	33 Å²	33	31%	0.312	17%	0.168	S	C	.	.	H	α-helix	trans	-62.8	-31.8	177	-21.6	34.4	0	0	0	113.6	K312 A313 K319	K312-P315 VanDerWaalsContact O-CD 3.3Å; K312-P315 WeakPolarHBondContact O-CD 2.89Å; A313-P315 VanDerWaalsContact C-CD 3.47Å; P315-K319 WeakPolarHBondContact O-CG 3.39Å
316	Y	90.4	Very high	88.8	Confident	31 Å²	31	35.9 Å²	35.9	12%	0.122	18%	0.183	C	C	.	.	H	α-helix	trans	-74.8	-45.5	175.2	170.5	-91.2	0	0	0	111.2	A313 A314 M318 K319 Q320 F429 Q430 L431	A313-Y316 WeakPolarHBondContact O-CA 3.26Å; A313-Y316 WeakPolarHBondContact O-CB 3.5Å; A313-Y316 PolarHBondContact O-N 3.37Å; A314-Y316 VanDerWaalsContact C-N 3.26Å; A314-Y316 PolarHBondContact O-N 3.11Å; Y316-M318 PolarHBondContact O-N 3.3Å; Y316-K319 PolarHBondContact O-N 3.14Å; Y316-Q320 HydrophobicContact CE1-CG 4.28Å; Y316-Q320 PolarHBondContact O-NE2 3.44Å; Y316-Q320 PolarHBondContact OH-NE2 3.23Å; Y316-F429 HydrophobicContact CD1-CE1 4.05Å; Y316-F429 HydrophobicContact CD2-CD1 4.01Å; Y316-F429 HydrophobicContact CD2-CE1 4.3Å; Y316-F429 HydrophobicContact CE1-CE1 4.3Å; Y316-F429 HydrophobicContact CE2-CD1 4.24Å; Y316-F429 VanDerWaalsContact CE2-O 3.28Å; Y316-F429 WeakPolarHBondContact CE2-O 3.38Å; Y316-F429 HydrophobicContact CG-CD1 4.18Å; Y316-F429 HydrophobicContact CG-CE1 4.06Å; Y316-Q430 PolarHBondContact OH-NE2 3.4Å; Y316-Q430 PolarHBondContact OH-OE1 2.9Å; Y316-L431 HydrophobicContact CD1-CD1 4.32Å; Y316-L431 HydrophobicContact CE1-CB 3.98Å; Y316-L431 HydrophobicContact CE1-CD1 3.95Å; Y316-L431 HydrophobicContact CE1-CG 3.94Å; Y316-L431 PolarHBondContact OH-N 3.23Å
317	L	94.1	Very high	88.4	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-67.7	-33.5	-178.4	-68	171.7	0	0	0	112.2	L310 A313 A314 K319 Q320 Y322 L341 L431 I436 F440	L310-L317 HydrophobicContact CD2-CD1 4.02Å; A313-L317 HydrophobicContact CB-CD1 3.84Å; A313-L317 HydrophobicContact CB-CG 4.05Å; A313-L317 WeakPolarHBondContact O-CG 3.18Å; A313-L317 PolarHBondContact O-N 3.41Å; A314-L317 PolarHBondContact O-N 3.05Å; L317-K319 PolarHBondContact O-N 3.17Å; L317-Q320 WeakPolarHBondContact O-CB 3.39Å; L317-Q320 PolarHBondContact O-N 3.41Å; L317-Y322 WeakPolarHBondContact O-CE2 3.48Å; L317-Y322 PolarHBondContact O-OH 3.01Å; L317-L341 HydrophobicContact CB-CD1 3.52Å; L317-L341 HydrophobicContact CD1-CD1 4.44Å; L317-L341 HydrophobicContact CD1-CD2 4.01Å; L317-L431 HydrophobicContact CD2-CD1 4.49Å; L317-I436 HydrophobicContact CD2-CD1 4.5Å; L317-I436 HydrophobicContact CD2-CG1 4.29Å; L317-I436 HydrophobicContact CD2-CG2 4.25Å; L317-F440 HydrophobicContact CD1-CE2 3.93Å; L317-F440 HydrophobicContact CD1-CZ 4.17Å; L317-F440 HydrophobicContact CD2-CE2 4.23Å
318	M	93.4	Very high	88.4	Confident	52 Å²	52	49.3 Å²	49.3	26%	0.256	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-23.7	174.8	-72.9	176.9	-173.1	0	0	113.3	A314 Y316 T338 L341 Q342	A314-M318 HydrophobicContact CB-CE 4.44Å; A314-M318 WeakPolarHBondContact O-CB 3.49Å; A314-M318 VanDerWaalsContact O-CG 3.25Å; A314-M318 WeakPolarHBondContact O-CG 3.49Å; A314-M318 PolarHBondContact O-N 2.71Å; Y316-M318 PolarHBondContact O-N 3.3Å; M318-T338 HydrophobicContact CE-CG2 4.5Å; M318-T338 HydrophobicContact CG-CG2 4.36Å; M318-T338 HydrophobicContact SD-CG2 4.39Å; M318-L341 HydrophobicContact CE-CB 3.51Å; M318-L341 HydrophobicContact CG-CB 4.42Å; M318-L341 HydrophobicContact CG-CD1 3.84Å; M318-Q342 HydrophobicContact CE-CB 4.48Å; M318-Q342 HydrophobicContact CE-CG 3.64Å
319	K	90.8	Very high	88.3	Confident	174 Å²	174	49.5 Å²	49.5	76%	0.757	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-10	178.1	-65.3	173.6	-174.2	176.4	0	113.1	P315 Y316 L317	P315-K319 WeakPolarHBondContact O-CG 3.39Å; Y316-K319 PolarHBondContact O-N 3.14Å; L317-K319 PolarHBondContact O-N 3.17Å
320	Q	87.3	Confident	88.1	Confident	36 Å²	36	49.8 Å²	49.8	17%	0.168	25%	0.249	C	C	.	.			trans	-69.5	145.3	-178.8	-62.9	-58.2	-51.6	0	0	111.5	Y316 L317 Y322 R334 I436	Y316-Q320 HydrophobicContact CE1-CG 4.28Å; Y316-Q320 PolarHBondContact O-NE2 3.44Å; Y316-Q320 PolarHBondContact OH-NE2 3.23Å; L317-Q320 WeakPolarHBondContact O-CB 3.39Å; L317-Q320 PolarHBondContact O-N 3.41Å; Q320-Y322 HydrophobicContact CB-CD2 4.15Å; Q320-Y322 HydrophobicContact CB-CE1 4.14Å; Q320-Y322 HydrophobicContact CB-CE2 3.71Å; Q320-Y322 WeakPolarHBondContact O-CD2 3.32Å; Q320-R334 WeakPolarHBondContact O-CD 3.44Å; Q320-I436 HydrophobicContact CG-CD1 4.19Å
321	T	86.4	Confident	88.1	Confident	90 Å²	90	54.9 Å²	54.9	55%	0.552	27%	0.271	S	S	*	.			trans	-78.9	-26.9	179.7	56.3	0	0	0	0	112.6	F323 R334	T321-F323 PolarHBondContact O-N 3.14Å; T321-R334 PolarHBondContact O-NH1 3.01Å
322	Y	87.3	Confident	88.4	Confident	3 Å²	3	59 Å²	59	1%	0.012	29%	0.288	C	S	.	.			trans	52.1	41.4	-170.6	-56.7	-78.8	0	0	0	113	F66 F67 L317 Q320 T324 D330 T333 R334 V337 I436	F66-Y322 AromaticContact CD1-CD1 3.65Å; F66-Y322 HydrophobicContact CD1-CD1 3.65Å; F66-Y322 HydrophobicContact CD1-CE1 4.46Å; F66-Y322 VanDerWaalsContact CD2-CA 3.44Å; F66-Y322 HydrophobicContact CD2-CD1 4.22Å; F66-Y322 WeakPolarHBondContact CD2-O 3.47Å; F66-Y322 AromaticContact CE1-CD1 3.67Å; F66-Y322 HydrophobicContact CE1-CD1 3.67Å; F66-Y322 HydrophobicContact CE1-CE1 4.24Å; F66-Y322 HydrophobicContact CE2-CD1 4.22Å; F66-Y322 AromaticContact CG-CD1 3.94Å; F66-Y322 HydrophobicContact CG-CD1 3.94Å; F66-Y322 HydrophobicContact CG-CG 4.44Å; F66-Y322 AromaticContact CZ-CD1 3.95Å; F66-Y322 HydrophobicContact CZ-CD1 3.95Å; F67-Y322 HydrophobicContact CE1-CE1 4.37Å; F67-Y322 HydrophobicContact CE2-CD1 4.15Å; F67-Y322 HydrophobicContact CE2-CE1 4.34Å; F67-Y322 AromaticContact CZ-CD1 3.78Å; F67-Y322 HydrophobicContact CZ-CD1 3.78Å; F67-Y322 AromaticContact CZ-CE1 3.59Å; F67-Y322 HydrophobicContact CZ-CE1 3.59Å; L317-Y322 WeakPolarHBondContact O-CE2 3.48Å; L317-Y322 PolarHBondContact O-OH 3.01Å; Q320-Y322 HydrophobicContact CB-CD2 4.15Å; Q320-Y322 HydrophobicContact CB-CE1 4.14Å; Q320-Y322 HydrophobicContact CB-CE2 3.71Å; Q320-Y322 WeakPolarHBondContact O-CD2 3.32Å; Y322-T324 PolarHBondContact O-N 2.88Å; Y322-D330 VanDerWaalsContact O-OD1 3.07Å; Y322-T333 HydrophobicContact CD1-CG2 4.46Å; Y322-T333 HydrophobicContact CD2-CG2 4.49Å; Y322-T333 HydrophobicContact CG-CG2 4Å; Y322-R334 HydrophobicContact CD2-CG 3.63Å; Y322-R334 HydrophobicContact CE2-CG 4.24Å; Y322-V337 HydrophobicContact CE1-CG2 4.47Å; Y322-V337 HydrophobicContact CE2-CB 4.25Å; Y322-V337 HydrophobicContact CE2-CG1 4.1Å; Y322-V337 HydrophobicContact CE2-CG2 4.42Å; Y322-V337 VanDerWaalsContact OH-CG1 3.31Å; Y322-V337 WeakPolarHBondContact OH-CG1 3.44Å; Y322-I436 HydrophobicContact CE1-CG2 4.14Å
323	F	84.1	Confident	88.7	Confident	113 Å²	113	57.7 Å²	57.7	50%	0.496	28%	0.283	S	S	.	.			trans	-60.4	132.1	-171	-177.8	-107.3	0	0	0	113.7	T321 D330 R433	T321-F323 PolarHBondContact O-N 3.14Å; F323-D330 WeakPolarHBondContact CA-OD2 3.49Å; F323-D330 WeakPolarHBondContact CD2-OD2 3.17Å; F323-R433 PolarHBondContact O-NH1 3.45Å
324	T	77.9	Confident	89	Confident	2 Å²	2	61.1 Å²	61.1	1%	0.012	30%	0.296	C	S	.	.	S	Bend	trans	-128.8	-7.9	173.2	64.5	0	0	0	0	113.3	D65 F66 P103 L104 G105 Y322 D326 D330	D65-T324 HydrophobicContact CB-CG2 4.02Å; F66-T324 HydrophobicContact CB-CG2 4.05Å; P103-T324 WeakPolarHBondContact CB-O 3.08Å; L104-T324 PolarHBondContact N-O 2.83Å; G105-T324 PolarHBondContact N-O 3.23Å; Y322-T324 PolarHBondContact O-N 2.88Å; T324-D326 PolarHBondContact OG1-N 3.03Å; T324-D330 WeakPolarHBondContact CB-OD1 3.42Å; T324-D330 WeakPolarHBondContact CG2-OD1 3.26Å; T324-D330 PolarHBondContact N-OD1 2.94Å; T324-D330 PolarHBondContact N-OD2 3.02Å; T324-D330 VanDerWaalsContact N-OD2 3.11Å; T324-D330 PolarHBondContact OG1-OD1 2.75Å
325	G	75.7	Confident	89.2	Confident	33 Å²	33	64.9 Å²	64.9	34%	0.34	32%	0.322	S	S	.	.	S	Bend	trans	96.9	-15.3	-172	0	0	0	0	0	113.7
326	D	82.8	Confident	89.6	Confident	64 Å²	64	63.7 Å²	63.7	34%	0.342	31%	0.314	S	S	.	.			trans	-103.5	104.7	171.8	-174.9	-35.6	0	0	0	110.5	T324 K328 M329 D330	T324-D326 PolarHBondContact OG1-N 3.03Å; D326-K328 PolarHBondContact O-N 3.37Å; D326-K328 WeakPolarHBondContact OD1-CA 3.33Å; D326-K328 VanDerWaalsContact OD1-CB 3.31Å; D326-K328 WeakPolarHBondContact OD1-CB 3.44Å; D326-K328 PolarHBondContact OD1-N 2.89Å; D326-M329 HydrophobicContact CB-CB 4.09Å; D326-M329 HydrophobicContact CB-CE 3.57Å; D326-M329 HydrophobicContact CB-CG 4.18Å; D326-M329 PolarHBondContact O-N 3.12Å; D326-M329 PolarHBondContact OD1-N 3.11Å; D326-D330 WeakPolarHBondContact O-CB 3.29Å; D326-D330 PolarHBondContact O-N 2.95Å
327	E	86.1	Confident	89.9	Confident	127 Å²	127	62.2 Å²	62.2	59%	0.593	31%	0.308	S	S	*	.	H	α-helix	trans	-59.8	-32.4	-177.1	-162.6	-165.9	162.6	0	0	113.1	K331	E327-K331 WeakPolarHBondContact O-CB 3.27Å; E327-K331 VanDerWaalsContact O-CG 3.28Å; E327-K331 WeakPolarHBondContact O-CG 3.33Å; E327-K331 PolarHBondContact O-N 3.31Å; E327-K331 WeakPolarHBondContact OE1-CE 3.35Å; E327-K331 IonicContact OE1-NZ 3.24Å; E327-K331 PolarHBondContact OE1-NZ 3.47Å
328	K	92.2	Very high	90.1	Very high	165 Å²	165	64 Å²	64	72%	0.717	32%	0.319	S	S	*	.	H	α-helix	trans	-71.2	-47.3	180	-178.3	-172	172.5	-168.7	0	110	D326 D330 K331 E332	D326-K328 PolarHBondContact O-N 3.37Å; D326-K328 WeakPolarHBondContact OD1-CA 3.33Å; D326-K328 VanDerWaalsContact OD1-CB 3.31Å; D326-K328 WeakPolarHBondContact OD1-CB 3.44Å; D326-K328 PolarHBondContact OD1-N 2.89Å; K328-D330 VanDerWaalsContact C-N 3.34Å; K328-K331 PolarHBondContact O-N 3.22Å; K328-E332 PolarHBondContact O-N 3.47Å; K328-E332 VanDerWaalsContact O-N 3.11Å
329	M	87.2	Confident	90.2	Very high	64 Å²	64	64.7 Å²	64.7	32%	0.315	32%	0.324	S	S	.	.	H	α-helix	trans	-66.7	-36.7	177.5	-65	-159.7	-67.4	0	0	111.9	D65 D326 E332 T333	D65-M329 WeakPolarHBondContact OD2-CE 2.95Å; D326-M329 HydrophobicContact CB-CB 4.09Å; D326-M329 HydrophobicContact CB-CE 3.57Å; D326-M329 HydrophobicContact CB-CG 4.18Å; D326-M329 PolarHBondContact O-N 3.12Å; D326-M329 PolarHBondContact OD1-N 3.11Å; M329-E332 PolarHBondContact O-N 3.21Å; M329-T333 WeakPolarHBondContact O-CB 3.42Å; M329-T333 PolarHBondContact O-N 3.28Å; M329-T333 PolarHBondContact O-OG1 2.87Å
330	D	88	Confident	90.5	Very high	6 Å²	6	56.5 Å²	56.5	3%	0.032	29%	0.288	C	S	.	.	H	α-helix	trans	-65.2	-41	176.8	-66.1	-11.6	0	0	0	111.4	Y322 F323 T324 D326 K328 T333 R334	Y322-D330 VanDerWaalsContact O-OD1 3.07Å; F323-D330 WeakPolarHBondContact CA-OD2 3.49Å; F323-D330 WeakPolarHBondContact CD2-OD2 3.17Å; T324-D330 WeakPolarHBondContact CB-OD1 3.42Å; T324-D330 WeakPolarHBondContact CG2-OD1 3.26Å; T324-D330 PolarHBondContact N-OD1 2.94Å; T324-D330 PolarHBondContact N-OD2 3.02Å; T324-D330 VanDerWaalsContact N-OD2 3.11Å; T324-D330 PolarHBondContact OG1-OD1 2.75Å; D326-D330 WeakPolarHBondContact O-CB 3.29Å; D326-D330 PolarHBondContact O-N 2.95Å; K328-D330 VanDerWaalsContact C-N 3.34Å; D330-T333 PolarHBondContact O-N 3.11Å; D330-R334 WeakPolarHBondContact O-CG 2.86Å; D330-R334 PolarHBondContact O-N 3.29Å; D330-R334 PolarHBondContact O-NH1 3.14Å
331	K	94.5	Very high	90.9	Very high	106 Å²	106	54.8 Å²	54.8	46%	0.461	28%	0.28	S	S	.	.	H	α-helix	trans	-61.3	-45.3	173.6	-81.3	173.1	-175.5	167.3	0	111.8	E327 K328 R334 S335	E327-K331 WeakPolarHBondContact O-CB 3.27Å; E327-K331 VanDerWaalsContact O-CG 3.28Å; E327-K331 WeakPolarHBondContact O-CG 3.33Å; E327-K331 PolarHBondContact O-N 3.31Å; E327-K331 WeakPolarHBondContact OE1-CE 3.35Å; E327-K331 IonicContact OE1-NZ 3.24Å; E327-K331 PolarHBondContact OE1-NZ 3.47Å; K328-K331 PolarHBondContact O-N 3.22Å; K331-R334 PolarHBondContact O-N 2.76Å; K331-S335 PolarHBondContact O-N 3.26Å; K331-S335 VanDerWaalsContact O-N 3.1Å
332	E	96.4	Very high	91.3	Very high	94 Å²	94	55.1 Å²	55.1	44%	0.439	28%	0.276	S	S	.	.	H	α-helix	trans	-63.8	-44.4	177.6	-169.6	-175	160.2	0	0	111.3	K64 K328 M329 R334 S335 V336	K64-E332 VanDerWaalsContact NZ-CD 3.32Å; K64-E332 IonicContact NZ-OE1 3.41Å; K64-E332 PolarHBondContact NZ-OE1 2.96Å; K64-E332 IonicContact NZ-OE2 3.39Å; K328-E332 PolarHBondContact O-N 3.47Å; K328-E332 VanDerWaalsContact O-N 3.11Å; M329-E332 PolarHBondContact O-N 3.21Å; E332-R334 PolarHBondContact O-N 2.84Å; E332-S335 WeakPolarHBondContact O-CB 3.34Å; E332-S335 PolarHBondContact O-N 3.49Å; E332-S335 VanDerWaalsContact O-N 3.08Å; E332-V336 PolarHBondContact O-N 2.96Å
333	T	94.3	Very high	91.6	Very high	3 Å²	3	56.3 Å²	56.3	2%	0.018	28%	0.282	C	S	.	.	H	α-helix	trans	-58.1	-46.5	177.1	-59.3	0	0	0	0	111.1	K64 F66 F67 Y322 M329 D330 S335 V336 V337	K64-T333 HydrophobicContact CB-CG2 4.11Å; K64-T333 HydrophobicContact CG-CG2 4.26Å; F66-T333 HydrophobicContact CB-CG2 4.33Å; F67-T333 HydrophobicContact CD2-CG2 4.27Å; F67-T333 HydrophobicContact CE2-CG2 3.7Å; Y322-T333 HydrophobicContact CD1-CG2 4.46Å; Y322-T333 HydrophobicContact CD2-CG2 4.49Å; Y322-T333 HydrophobicContact CG-CG2 4Å; M329-T333 WeakPolarHBondContact O-CB 3.42Å; M329-T333 PolarHBondContact O-N 3.28Å; M329-T333 PolarHBondContact O-OG1 2.87Å; D330-T333 PolarHBondContact O-N 3.11Å; T333-S335 VanDerWaalsContact C-N 3.3Å; T333-S335 PolarHBondContact O-N 3.15Å; T333-V336 VanDerWaalsContact O-CG2 3.27Å; T333-V336 WeakPolarHBondContact O-CG2 3.33Å; T333-V336 PolarHBondContact O-N 3.29Å; T333-V337 HydrophobicContact CG2-CG2 4.34Å; T333-V337 WeakPolarHBondContact O-CB 3.33Å; T333-V337 VanDerWaalsContact O-CG2 3.24Å; T333-V337 WeakPolarHBondContact O-CG2 3.17Å; T333-V337 PolarHBondContact O-N 3.49Å
334	R	96	Very high	91.9	Very high	73 Å²	73	51 Å²	51	28%	0.275	26%	0.259	S	S	.	.	H	α-helix	trans	-57.1	-42.7	173.4	-79.3	-170.7	-56	-88	10.1	112.6	Q320 T321 Y322 D330 K331 E332 T338	Q320-R334 WeakPolarHBondContact O-CD 3.44Å; T321-R334 PolarHBondContact O-NH1 3.01Å; Y322-R334 HydrophobicContact CD2-CG 3.63Å; Y322-R334 HydrophobicContact CE2-CG 4.24Å; D330-R334 WeakPolarHBondContact O-CG 2.86Å; D330-R334 PolarHBondContact O-N 3.29Å; D330-R334 PolarHBondContact O-NH1 3.14Å; K331-R334 PolarHBondContact O-N 2.76Å; E332-R334 PolarHBondContact O-N 2.84Å; R334-T338 VanDerWaalsContact O-CB 3.28Å; R334-T338 WeakPolarHBondContact O-CB 3.29Å; R334-T338 PolarHBondContact O-N 3.14Å; R334-T338 PolarHBondContact O-OG1 3.06Å
335	S	97.6	Very high	92.4	Very high	78 Å²	78	54.6 Å²	54.6	55%	0.545	28%	0.276	S	S	.	.	H	α-helix	trans	-63.9	-48.6	-179.3	-178.2	0	0	0	0	111.8	K331 E332 T333 T338 D339	K331-S335 PolarHBondContact O-N 3.26Å; K331-S335 VanDerWaalsContact O-N 3.1Å; E332-S335 WeakPolarHBondContact O-CB 3.34Å; E332-S335 PolarHBondContact O-N 3.49Å; E332-S335 VanDerWaalsContact O-N 3.08Å; T333-S335 VanDerWaalsContact C-N 3.3Å; T333-S335 PolarHBondContact O-N 3.15Å; S335-T338 PolarHBondContact O-N 2.93Å; S335-D339 PolarHBondContact O-N 2.85Å
336	V	98.1	Very high	92.7	Very high	24 Å²	24	59.6 Å²	59.6	15%	0.145	29%	0.294	C	S	.	.	H	α-helix	trans	-69.4	-35.1	-179.1	-61.2	0	0	0	0	112.5	I61 K64 E332 T333 F340	I61-V336 HydrophobicContact CG1-CB 4.34Å; I61-V336 HydrophobicContact CG1-CG2 3.98Å; K64-V336 HydrophobicContact CG-CG2 4.28Å; E332-V336 PolarHBondContact O-N 2.96Å; T333-V336 VanDerWaalsContact O-CG2 3.27Å; T333-V336 WeakPolarHBondContact O-CG2 3.33Å; T333-V336 PolarHBondContact O-N 3.29Å; V336-F340 WeakPolarHBondContact O-CB 3.34Å; V336-F340 PolarHBondContact O-N 3.41Å; V336-F340 VanDerWaalsContact O-N 3.16Å
337	V	98.1	Very high	92.4	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-67.7	-41.5	174.7	173.9	0	0	0	0	110.7	I61 F67 Y322 T333 F340 L341 F440	I61-V337 HydrophobicContact CD1-CG2 4.25Å; I61-V337 HydrophobicContact CG1-CG2 4.24Å; I61-V337 HydrophobicContact CG2-CG2 4.03Å; F67-V337 HydrophobicContact CE2-CG2 3.66Å; F67-V337 HydrophobicContact CZ-CG2 3.73Å; Y322-V337 HydrophobicContact CE1-CG2 4.47Å; Y322-V337 HydrophobicContact CE2-CB 4.25Å; Y322-V337 HydrophobicContact CE2-CG1 4.1Å; Y322-V337 HydrophobicContact CE2-CG2 4.42Å; Y322-V337 VanDerWaalsContact OH-CG1 3.31Å; Y322-V337 WeakPolarHBondContact OH-CG1 3.44Å; T333-V337 HydrophobicContact CG2-CG2 4.34Å; T333-V337 WeakPolarHBondContact O-CB 3.33Å; T333-V337 VanDerWaalsContact O-CG2 3.24Å; T333-V337 WeakPolarHBondContact O-CG2 3.17Å; T333-V337 PolarHBondContact O-N 3.49Å; V337-F340 PolarHBondContact O-N 3.48Å; V337-L341 HydrophobicContact CG1-CD1 3.58Å; V337-L341 HydrophobicContact CG1-CG 4.07Å; V337-L341 WeakPolarHBondContact O-CB 3.49Å; V337-L341 VanDerWaalsContact O-CG 3.23Å; V337-L341 WeakPolarHBondContact O-CG 3.26Å; V337-L341 PolarHBondContact O-N 2.94Å; V337-F440 HydrophobicContact CG1-CE1 4.21Å; V337-F440 HydrophobicContact CG1-CZ 3.9Å
338	T	97.5	Very high	91.2	Very high	37 Å²	37	54.1 Å²	54.1	23%	0.227	27%	0.27	C	S	.	.	H	α-helix	trans	-62.3	-46.1	177.5	-59.6	0	0	0	0	111.7	M318 R334 S335 F340 L341 Q342	M318-T338 HydrophobicContact CE-CG2 4.5Å; M318-T338 HydrophobicContact CG-CG2 4.36Å; M318-T338 HydrophobicContact SD-CG2 4.39Å; R334-T338 VanDerWaalsContact O-CB 3.28Å; R334-T338 WeakPolarHBondContact O-CB 3.29Å; R334-T338 PolarHBondContact O-N 3.14Å; R334-T338 PolarHBondContact O-OG1 3.06Å; S335-T338 PolarHBondContact O-N 2.93Å; T338-F340 VanDerWaalsContact C-N 3.34Å; T338-F340 PolarHBondContact O-N 3.16Å; T338-L341 PolarHBondContact O-N 3.39Å; T338-Q342 HydrophobicContact CG2-CG 4.36Å; T338-Q342 WeakPolarHBondContact O-CB 3.46Å; T338-Q342 VanDerWaalsContact O-CG 3.3Å; T338-Q342 WeakPolarHBondContact O-CG 3.4Å; T338-Q342 PolarHBondContact O-N 3.26Å
339	D	96.7	Very high	89.7	Confident	67 Å²	67	51.5 Å²	51.5	36%	0.358	27%	0.272	S	S	.	.	H	α-helix	trans	-57	-46.9	176.1	174.2	72.3	0	0	0	111.8	R57 S335 Q342 I343	R57-D339 WeakPolarHBondContact CD-OD2 3.42Å; R57-D339 IonicContact CZ-OD2 2.83Å; R57-D339 IonicContact NE-OD2 3.27Å; R57-D339 PolarHBondContact NE-OD2 2.94Å; R57-D339 IonicContact NH2-OD2 3.69Å; S335-D339 PolarHBondContact O-N 2.85Å; D339-Q342 PolarHBondContact O-N 3.37Å; D339-I343 WeakPolarHBondContact O-CG1 3.47Å; D339-I343 PolarHBondContact O-N 3.36Å
340	F	97.1	Very high	88.5	Confident	1 Å²	1	50.9 Å²	50.9	0%	0.004	27%	0.27	C	S	.	.	H	α-helix	trans	-61.2	-47.5	176.9	171.1	-106.3	0	0	0	113.1	V54 R57 I58 I61 L310 V336 V337 T338 I343 I344 F440 F443	V54-F340 HydrophobicContact CG1-CE2 3.86Å; R57-F340 HydrophobicContact CB-CB 4.34Å; R57-F340 HydrophobicContact CB-CD2 3.82Å; I58-F340 HydrophobicContact CB-CE2 3.95Å; I58-F340 HydrophobicContact CB-CZ 4.29Å; I58-F340 HydrophobicContact CD1-CE1 4.14Å; I58-F340 HydrophobicContact CD1-CE2 4.23Å; I58-F340 HydrophobicContact CD1-CZ 3.76Å; I58-F340 HydrophobicContact CG1-CZ 4.37Å; I61-F340 HydrophobicContact CD1-CB 3.44Å; I61-F340 VanDerWaalsContact CD1-CB 3.44Å; I61-F340 HydrophobicContact CD1-CD1 3.7Å; I61-F340 HydrophobicContact CD1-CD2 4.19Å; I61-F340 HydrophobicContact CD1-CE1 4.44Å; I61-F340 HydrophobicContact CD1-CG 3.53Å; L310-F340 HydrophobicContact CD1-CE1 4.19Å; L310-F340 HydrophobicContact CD1-CZ 4.25Å; V336-F340 WeakPolarHBondContact O-CB 3.34Å; V336-F340 PolarHBondContact O-N 3.41Å; V336-F340 VanDerWaalsContact O-N 3.16Å; V337-F340 PolarHBondContact O-N 3.48Å; T338-F340 VanDerWaalsContact C-N 3.34Å; T338-F340 PolarHBondContact O-N 3.16Å; F340-I343 PolarHBondContact O-N 3.35Å; F340-I344 HydrophobicContact CD1-CD1 3.95Å; F340-I344 HydrophobicContact CD2-CD1 3.9Å; F340-I344 HydrophobicContact CE1-CD1 3.41Å; F340-I344 VanDerWaalsContact CE1-CD1 3.41Å; F340-I344 HydrophobicContact CE2-CD1 3.36Å; F340-I344 HydrophobicContact CE2-CG1 4.34Å; F340-I344 HydrophobicContact CG-CD1 4.18Å; F340-I344 HydrophobicContact CZ-CD1 3.09Å; F340-I344 HydrophobicContact CZ-CG1 4.42Å; F340-I344 WeakPolarHBondContact O-CG1 3.33Å; F340-I344 PolarHBondContact O-N 2.97Å; F340-I344 VanDerWaalsContact O-N 3.11Å; F340-F440 AromaticContact CD1-CE1 3.92Å; F340-F440 HydrophobicContact CD1-CE1 3.92Å; F340-F440 HydrophobicContact CE1-CD1 4.3Å; F340-F440 AromaticContact CE1-CE1 3.78Å; F340-F440 HydrophobicContact CE1-CE1 3.78Å; F340-F443 HydrophobicContact CE2-CE1 4.16Å; F340-F443 AromaticContact CZ-CD1 3.96Å; F340-F443 HydrophobicContact CZ-CD1 3.96Å; F340-F443 AromaticContact CZ-CE1 3.66Å; F340-F443 HydrophobicContact CZ-CE1 3.66Å
341	L	95.8	Very high	87.4	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-66.8	-37.2	-178.8	-69	171.6	0	0	0	112.1	A314 L317 M318 V337 T338 I343 I344 Q345 F440	A314-L341 HydrophobicContact CB-CB 3.97Å; A314-L341 HydrophobicContact CB-CD1 4.45Å; A314-L341 HydrophobicContact CB-CD2 4Å; A314-L341 HydrophobicContact CB-CG 4.35Å; L317-L341 HydrophobicContact CB-CD1 3.52Å; L317-L341 HydrophobicContact CD1-CD1 4.44Å; L317-L341 HydrophobicContact CD1-CD2 4.01Å; M318-L341 HydrophobicContact CE-CB 3.51Å; M318-L341 HydrophobicContact CG-CB 4.42Å; M318-L341 HydrophobicContact CG-CD1 3.84Å; V337-L341 HydrophobicContact CG1-CD1 3.58Å; V337-L341 HydrophobicContact CG1-CG 4.07Å; V337-L341 WeakPolarHBondContact O-CB 3.49Å; V337-L341 VanDerWaalsContact O-CG 3.23Å; V337-L341 WeakPolarHBondContact O-CG 3.26Å; V337-L341 PolarHBondContact O-N 2.94Å; T338-L341 PolarHBondContact O-N 3.39Å; L341-I343 VanDerWaalsContact C-N 3.33Å; L341-I343 PolarHBondContact O-N 2.95Å; L341-I344 PolarHBondContact O-N 3.47Å; L341-Q345 WeakPolarHBondContact O-CB 3.27Å; L341-Q345 WeakPolarHBondContact O-CG 3.4Å; L341-Q345 PolarHBondContact O-N 3.4Å; L341-F440 HydrophobicContact CD2-CZ 4.46Å
342	Q	94.2	Very high	85.9	Confident	98 Å²	98	49.8 Å²	49.8	46%	0.458	27%	0.268	S	S	.	.	H	α-helix	trans	-61.1	-42	174.8	-75.9	177	-9.7	0	0	111.7	M318 T338 D339 Q345 N346	M318-Q342 HydrophobicContact CE-CB 4.48Å; M318-Q342 HydrophobicContact CE-CG 3.64Å; T338-Q342 HydrophobicContact CG2-CG 4.36Å; T338-Q342 WeakPolarHBondContact O-CB 3.46Å; T338-Q342 VanDerWaalsContact O-CG 3.3Å; T338-Q342 WeakPolarHBondContact O-CG 3.4Å; T338-Q342 PolarHBondContact O-N 3.26Å; D339-Q342 PolarHBondContact O-N 3.37Å; Q342-Q345 PolarHBondContact O-N 3.18Å; Q342-N346 PolarHBondContact O-N 2.97Å; Q342-N346 VanDerWaalsContact O-N 3.15Å; Q342-N346 PolarHBondContact O-ND2 3.32Å; Q342-N346 VanDerWaalsContact O-ND2 3.14Å
343	I	92.7	Very high	84.3	Confident	28 Å²	28	46.3 Å²	46.3	14%	0.144	25%	0.252	C	S	.	.	H	α-helix	trans	-64.5	-42.7	177.7	-74.1	164.3	0	0	0	111.6	F49 K53 R57 D339 F340 L341 N346 E347	F49-I343 HydrophobicContact CE2-CG2 3.94Å; F49-I343 HydrophobicContact CZ-CG2 4.21Å; K53-I343 HydrophobicContact CB-CG2 4.06Å; K53-I343 HydrophobicContact CD-CG2 4.17Å; R57-I343 VanDerWaalsContact CD-CD1 3.47Å; D339-I343 WeakPolarHBondContact O-CG1 3.47Å; D339-I343 PolarHBondContact O-N 3.36Å; F340-I343 PolarHBondContact O-N 3.35Å; L341-I343 VanDerWaalsContact C-N 3.33Å; L341-I343 PolarHBondContact O-N 2.95Å; I343-N346 PolarHBondContact O-N 3.18Å; I343-E347 WeakPolarHBondContact O-CG 3.45Å; I343-E347 PolarHBondContact O-N 3.48Å
344	I	91.2	Very high	82.8	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-69.6	-40.4	179.9	-69.6	174.2	0	0	0	111.2	L307 A311 F340 L341 N346 E347 G348	L307-I344 HydrophobicContact CD1-CB 4.3Å; L307-I344 HydrophobicContact CD1-CD1 3.65Å; L307-I344 HydrophobicContact CD1-CG1 3.76Å; L307-I344 HydrophobicContact CD1-CG2 3.61Å; L307-I344 HydrophobicContact CG-CG2 4.14Å; A311-I344 HydrophobicContact CB-CG2 3.62Å; F340-I344 HydrophobicContact CD1-CD1 3.95Å; F340-I344 HydrophobicContact CD2-CD1 3.9Å; F340-I344 HydrophobicContact CE1-CD1 3.41Å; F340-I344 VanDerWaalsContact CE1-CD1 3.41Å; F340-I344 HydrophobicContact CE2-CD1 3.36Å; F340-I344 HydrophobicContact CE2-CG1 4.34Å; F340-I344 HydrophobicContact CG-CD1 4.18Å; F340-I344 HydrophobicContact CZ-CD1 3.09Å; F340-I344 HydrophobicContact CZ-CG1 4.42Å; F340-I344 WeakPolarHBondContact O-CG1 3.33Å; F340-I344 PolarHBondContact O-N 2.97Å; F340-I344 VanDerWaalsContact O-N 3.11Å; L341-I344 PolarHBondContact O-N 3.47Å; I344-N346 VanDerWaalsContact C-N 3.3Å; I344-N346 PolarHBondContact O-N 2.87Å; I344-E347 CarbonylContact O-C 3.16Å; I344-E347 PolarHBondContact O-N 2.91Å; I344-E347 VanDerWaalsContact O-N 3.16Å; I344-G348 WeakPolarHBondContact O-CA 3.48Å; I344-G348 PolarHBondContact O-N 2.92Å
345	Q	87.7	Confident	81.1	Confident	78 Å²	78	52 Å²	52	36%	0.364	28%	0.283	S	S	.	.	H	α-helix	trans	-59.6	-41.8	176.3	-81.2	-171.2	-38.3	0	0	112	A314 L341 Q342 E347 G348	A314-Q345 VanDerWaalsContact CB-CD 3.46Å; A314-Q345 HydrophobicContact CB-CG 3.53Å; A314-Q345 VanDerWaalsContact CB-NE2 3.28Å; L341-Q345 WeakPolarHBondContact O-CB 3.27Å; L341-Q345 WeakPolarHBondContact O-CG 3.4Å; L341-Q345 PolarHBondContact O-N 3.4Å; Q342-Q345 PolarHBondContact O-N 3.18Å; Q345-E347 PolarHBondContact O-N 3.36Å; Q345-G348 PolarHBondContact O-N 3.37Å
346	N	82.3	Confident	79.4	Confident	137 Å²	137	48.7 Å²	48.7	73%	0.733	26%	0.26	S	S	*	.	H	α-helix	trans	-64.3	-22.2	179.5	-69.6	-22.7	0	0	0	113.4	Q342 I343 I344	Q342-N346 PolarHBondContact O-N 2.97Å; Q342-N346 VanDerWaalsContact O-N 3.15Å; Q342-N346 PolarHBondContact O-ND2 3.32Å; Q342-N346 VanDerWaalsContact O-ND2 3.14Å; I343-N346 PolarHBondContact O-N 3.18Å; I344-N346 VanDerWaalsContact C-N 3.3Å; I344-N346 PolarHBondContact O-N 2.87Å
347	E	76.9	Confident	77.6	Confident	65 Å²	65	49.6 Å²	49.6	30%	0.304	26%	0.262	S	S	.	.	H	α-helix	trans	-110.3	-0.3	-179.3	-57.4	-89.9	-174.7	0	0	111.3	F49 K53 I343 I344 Q345 S349 I350	F49-E347 HydrophobicContact CD2-CG 4.16Å; F49-E347 HydrophobicContact CE1-CB 4.49Å; F49-E347 HydrophobicContact CE2-CB 4.06Å; F49-E347 HydrophobicContact CE2-CG 3.55Å; F49-E347 HydrophobicContact CZ-CB 3.93Å; F49-E347 HydrophobicContact CZ-CG 3.92Å; K53-E347 IonicContact NZ-OE1 3.38Å; K53-E347 PolarHBondContact NZ-OE1 3.01Å; I343-E347 WeakPolarHBondContact O-CG 3.45Å; I343-E347 PolarHBondContact O-N 3.48Å; I344-E347 CarbonylContact O-C 3.16Å; I344-E347 PolarHBondContact O-N 2.91Å; I344-E347 VanDerWaalsContact O-N 3.16Å; Q345-E347 PolarHBondContact O-N 3.36Å; E347-S349 PolarHBondContact O-N 3.21Å; E347-I350 HydrophobicContact CB-CD1 4.39Å; E347-I350 WeakPolarHBondContact O-CD1 3.31Å; E347-I350 VanDerWaalsContact O-CG1 3.27Å; E347-I350 WeakPolarHBondContact O-CG1 3.41Å; E347-I350 PolarHBondContact O-N 3.16Å
348	G	61.6	Low	75.4	Confident	11 Å²	11	54.2 Å²	54.2	11%	0.113	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-68.6	1.3	-166.2	0	0	0	0	0	115.8	R308 I344 Q345 I350	R308-G348 PolarHBondContact NH1-O 2.94Å; I344-G348 WeakPolarHBondContact O-CA 3.48Å; I344-G348 PolarHBondContact O-N 2.92Å; Q345-G348 PolarHBondContact O-N 3.37Å; G348-I350 VanDerWaalsContact C-N 3.28Å
349	S	60.4	Low	73.3	Confident	110 Å²	110	54.5 Å²	54.5	77%	0.769	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-82.4	1.3	175.1	68.9	0	0	0	0	113.9	E347 F351	E347-S349 PolarHBondContact O-N 3.21Å; S349-F351 VanDerWaalsContact C-N 3.29Å; S349-F351 PolarHBondContact O-N 2.95Å
350	I	61.8	Low	71.4	Confident	52 Å²	52	55.5 Å²	55.5	27%	0.267	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-67.3	-31.1	-178.6	-62.9	159.5	0	0	0	111.9	A41 L304 E347 G348	A41-I350 HydrophobicContact CB-CG2 3.73Å; L304-I350 HydrophobicContact CD2-CG2 3.77Å; E347-I350 HydrophobicContact CB-CD1 4.39Å; E347-I350 WeakPolarHBondContact O-CD1 3.31Å; E347-I350 VanDerWaalsContact O-CG1 3.27Å; E347-I350 WeakPolarHBondContact O-CG1 3.41Å; E347-I350 PolarHBondContact O-N 3.16Å; G348-I350 VanDerWaalsContact C-N 3.28Å
351	F	64.1	Low	69.7	Low	8 Å²	8	61.5 Å²	61.5	4%	0.035	34%	0.337	C	S	.	.			trans	-121.3	118	-178.4	176.9	-89	0	0	0	110.6	I39 L304 V305 R308 S349 E353 L356	I39-F351 HydrophobicContact CB-CD2 4.44Å; I39-F351 HydrophobicContact CD1-CD2 3.58Å; I39-F351 HydrophobicContact CD1-CE2 3.65Å; I39-F351 HydrophobicContact CG1-CD2 3.77Å; I39-F351 HydrophobicContact CG1-CE2 3.88Å; I39-F351 HydrophobicContact CG2-CB 4.38Å; I39-F351 HydrophobicContact CG2-CD2 3.73Å; I39-F351 HydrophobicContact CG2-CG 4.47Å; L304-F351 HydrophobicContact CB-CD2 4.34Å; V305-F351 HydrophobicContact CG2-CE2 3.91Å; V305-F351 HydrophobicContact CG2-CZ 3.88Å; R308-F351 HydrophobicContact CB-CB 4.28Å; R308-F351 HydrophobicContact CB-CD1 3.59Å; R308-F351 HydrophobicContact CB-CE1 4.13Å; R308-F351 HydrophobicContact CB-CG 4.21Å; R308-F351 WeakPolarHBondContact CD-O 3.4Å; R308-F351 HydrophobicContact CG-CD1 3.51Å; R308-F351 HydrophobicContact CG-CE1 4.01Å; R308-F351 HydrophobicContact CG-CG 4.48Å; S349-F351 VanDerWaalsContact C-N 3.29Å; S349-F351 PolarHBondContact O-N 2.95Å; F351-E353 HydrophobicContact CD1-CB 4.47Å; F351-E353 HydrophobicContact CE1-CB 4.07Å; F351-L356 HydrophobicContact CE1-CD1 4.23Å; F351-L356 HydrophobicContact CE2-CD1 3.35Å; F351-L356 HydrophobicContact CZ-CD1 3.12Å
352	N	62.8	Low	68.2	Low	80 Å²	80	66.5 Å²	66.5	43%	0.428	36%	0.363	S	S	.	.			trans	-93.4	101.7	174.9	-174.5	-1.5	0	0	0	109.6	H354 L355	N352-H354 PolarHBondContact O-N 2.7Å; N352-H354 VanDerWaalsContact O-N 3.13Å; N352-H354 VanDerWaalsContact OD1-CB 3.29Å; N352-H354 WeakPolarHBondContact OD1-CB 3.48Å; N352-H354 PolarHBondContact OD1-CD2 2.81Å; N352-H354 VanDerWaalsContact OD1-CD2 3.29Å; N352-H354 PolarHBondContact OD1-N 2.66Å; N352-H354 VanDerWaalsContact OD1-N 3.13Å; N352-L355 HydrophobicContact CB-CD1 3.97Å; N352-L355 HydrophobicContact CB-CG 4.01Å; N352-L355 WeakPolarHBondContact O-CB 3.34Å; N352-L355 PolarHBondContact O-N 3.31Å
353	E	63.5	Low	66.8	Low	21 Å²	21	68 Å²	68	10%	0.098	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-54.8	-28.6	178	65.6	-155.6	-137.9	0	0	113.3	R308 K312 F351 L355 L356 F357	R308-E353 IonicContact CZ-OE2 3.3Å; R308-E353 IonicContact NE-OE2 2.7Å; R308-E353 PolarHBondContact NE-OE2 3.17Å; R308-E353 IonicContact NH2-OE1 2.66Å; R308-E353 IonicContact NH2-OE2 3.3Å; R308-E353 PolarHBondContact NH2-OE2 3.02Å; K312-E353 IonicContact NZ-OE1 3.76Å; K312-E353 PolarHBondContact NZ-OE1 3.44Å; F351-E353 HydrophobicContact CD1-CB 4.47Å; F351-E353 HydrophobicContact CE1-CB 4.07Å; E353-L355 PolarHBondContact O-N 3.48Å; E353-L356 PolarHBondContact O-N 3.05Å; E353-F357 PolarHBondContact O-N 2.98Å
354	H	62.4	Low	65.5	Low	120 Å²	120	67.6 Å²	67.6	56%	0.556	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-60.5	-31.9	176.7	-66.3	-71	0	0	0	111.6	N352 L356 F357 T358	N352-H354 PolarHBondContact O-N 2.7Å; N352-H354 VanDerWaalsContact O-N 3.13Å; N352-H354 VanDerWaalsContact OD1-CB 3.29Å; N352-H354 WeakPolarHBondContact OD1-CB 3.48Å; N352-H354 PolarHBondContact OD1-CD2 2.81Å; N352-H354 VanDerWaalsContact OD1-CD2 3.29Å; N352-H354 PolarHBondContact OD1-N 2.66Å; N352-H354 VanDerWaalsContact OD1-N 3.13Å; H354-L356 PolarHBondContact O-N 3.39Å; H354-F357 CarbonylContact O-C 3.5Å; H354-F357 PolarHBondContact O-N 2.98Å; H354-T358 WeakPolarHBondContact O-CG2 3.49Å; H354-T358 PolarHBondContact O-N 2.87Å
355	L	60.7	Low	64.6	Low	76 Å²	76	71.3 Å²	71.3	40%	0.398	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-61.5	-30.6	180	-66.5	172.5	0	0	0	112.9	L227 N352 E353	L227-L355 WeakPolarHBondContact CD2-O 3.49Å; N352-L355 HydrophobicContact CB-CD1 3.97Å; N352-L355 HydrophobicContact CB-CG 4.01Å; N352-L355 WeakPolarHBondContact O-CB 3.34Å; N352-L355 PolarHBondContact O-N 3.31Å; E353-L355 PolarHBondContact O-N 3.48Å
356	L	61	Low	63.9	Low	9 Å²	9	71.5 Å²	71.5	5%	0.047	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	-91.5	-17.2	-176.9	-88.4	151.4	0	0	0	113.6	L227 E228 A231 F301 F351 E353 H354	L227-L356 HydrophobicContact CG-CD2 4.38Å; E228-L356 WeakPolarHBondContact CG-O 2.91Å; A231-L356 HydrophobicContact CB-CD2 3.22Å; F301-L356 HydrophobicContact CZ-CD1 4.21Å; F301-L356 HydrophobicContact CZ-CD2 4.26Å; F351-L356 HydrophobicContact CE1-CD1 4.23Å; F351-L356 HydrophobicContact CE2-CD1 3.35Å; F351-L356 HydrophobicContact CZ-CD1 3.12Å; E353-L356 PolarHBondContact O-N 3.05Å; H354-L356 PolarHBondContact O-N 3.39Å
357	F	61.3	Low	63.3	Low	42 Å²	42	65.9 Å²	65.9	18%	0.184	37%	0.367	C	S	.	.	S	Bend	trans	-133.1	36	-175.8	-51.5	-63.6	0	0	0	110.4	E228 E353 H354 G359 L367 F409	E228-F357 HydrophobicContact CG-CD1 4.44Å; E353-F357 PolarHBondContact O-N 2.98Å; H354-F357 CarbonylContact O-C 3.5Å; H354-F357 PolarHBondContact O-N 2.98Å; F357-G359 PolarHBondContact O-N 3.38Å; F357-L367 HydrophobicContact CD1-CD2 3.8Å; F357-L367 HydrophobicContact CE1-CD2 4.11Å; F357-F409 AromaticContact CD1-CE1 3.56Å; F357-F409 HydrophobicContact CD1-CE1 3.56Å; F357-F409 HydrophobicContact CD1-CZ 4.09Å; F357-F409 HydrophobicContact CD2-CD1 4.4Å; F357-F409 AromaticContact CD2-CE1 3.82Å; F357-F409 HydrophobicContact CD2-CE1 3.82Å; F357-F409 AromaticContact CE1-CE1 3.29Å; F357-F409 HydrophobicContact CE1-CE1 3.29Å; F357-F409 AromaticContact CE1-CZ 3.37Å; F357-F409 HydrophobicContact CE1-CZ 3.37Å; F357-F409 HydrophobicContact CE2-CD1 4.28Å; F357-F409 AromaticContact CE2-CE1 3.55Å; F357-F409 HydrophobicContact CE2-CE1 3.55Å; F357-F409 HydrophobicContact CE2-CZ 4Å; F357-F409 AromaticContact CG-CE1 3.82Å; F357-F409 HydrophobicContact CG-CE1 3.82Å; F357-F409 HydrophobicContact CZ-CD1 4.37Å; F357-F409 AromaticContact CZ-CE1 3.28Å; F357-F409 HydrophobicContact CZ-CE1 3.28Å; F357-F409 HydrophobicContact CZ-CE2 4.41Å; F357-F409 AromaticContact CZ-CZ 3.31Å; F357-F409 HydrophobicContact CZ-CZ 3.31Å
358	T	52.3	Low	63.2	Low	98 Å²	98	64.8 Å²	64.8	60%	0.601	36%	0.361	S	S	*	.			trans	-76.6	93.8	169.2	46.3	0	0	0	0	109.2	H354	H354-T358 WeakPolarHBondContact O-CG2 3.49Å; H354-T358 PolarHBondContact O-N 2.87Å
359	G	52.5	Low	64	Low	43 Å²	43	69.4 Å²	69.4	44%	0.443	38%	0.378	S	S	.	.	S	Bend	trans	-155	177	174.2	0	0	0	0	0	112	F357	F357-G359 PolarHBondContact O-N 3.38Å
360	D	56.5	Low	64.9	Low	88 Å²	88	66.4 Å²	66.4	47%	0.471	35%	0.352	S	S	.	.			trans	-54.2	143.3	163.6	-177.2	10.3	0	0	0	108.6	N362 E363 A364	D360-N362 PolarHBondContact O-N 2.8Å; D360-N362 VanDerWaalsContact O-N 3.1Å; D360-N362 PolarHBondContact OD2-ND2 3.1Å; D360-E363 HydrophobicContact CB-CB 4.42Å; D360-E363 HydrophobicContact CB-CG 4.22Å; D360-E363 PolarHBondContact O-N 3.08Å; D360-A364 PolarHBondContact O-N 2.77Å
361	I	62.7	Low	65.9	Low	127 Å²	127	64 Å²	64	65%	0.651	34%	0.34	S	S	*	.	H	α-helix	trans	-52.9	-36.7	179	-65.8	169.3	0	0	0	110	N365	I361-N365 WeakPolarHBondContact O-CB 3.32Å; I361-N365 PolarHBondContact O-N 2.8Å; I361-N365 PolarHBondContact O-ND2 2.95Å
362	N	64.4	Low	66.6	Low	105 Å²	105	65.1 Å²	65.1	56%	0.561	34%	0.344	S	S	*	.	H	α-helix	trans	-64.6	-47.7	176.7	-60	-51.9	0	0	0	112.3	D360 N365 V366	D360-N362 PolarHBondContact O-N 2.8Å; D360-N362 VanDerWaalsContact O-N 3.1Å; D360-N362 PolarHBondContact OD2-ND2 3.1Å; N362-N365 PolarHBondContact O-N 3.04Å; N362-V366 WeakPolarHBondContact O-CG2 3.44Å; N362-V366 PolarHBondContact O-N 3.06Å
363	E	63.8	Low	67.6	Low	130 Å²	130	65.3 Å²	65.3	61%	0.607	34%	0.342	S	S	*	.	H	α-helix	trans	-63.7	-43.2	177.4	-70.1	177.6	168.9	0	0	111.2	D360 N365 V366 L367	D360-E363 HydrophobicContact CB-CB 4.42Å; D360-E363 HydrophobicContact CB-CG 4.22Å; D360-E363 PolarHBondContact O-N 3.08Å; E363-N365 VanDerWaalsContact C-N 3.3Å; E363-N365 PolarHBondContact O-N 3.3Å; E363-V366 PolarHBondContact O-N 3.34Å; E363-L367 VanDerWaalsContact O-CB 3.24Å; E363-L367 WeakPolarHBondContact O-CB 3.14Å; E363-L367 PolarHBondContact O-N 3.03Å
364	A	66.8	Low	68.7	Low	19 Å²	19	65.1 Å²	65.1	16%	0.157	34%	0.341	C	S	.	.	H	α-helix	trans	-60.6	-39.7	176.3	0	0	0	0	0	111.7	D360 L367 K368	D360-A364 PolarHBondContact O-N 2.77Å; A364-L367 PolarHBondContact O-N 3.08Å; A364-K368 WeakPolarHBondContact O-CB 3.34Å; A364-K368 WeakPolarHBondContact O-CG 3.37Å; A364-K368 PolarHBondContact O-N 3.36Å
365	N	71.2	Confident	69.9	Low	79 Å²	79	59.5 Å²	59.5	42%	0.422	32%	0.315	S	S	.	.	H	α-helix	trans	-70.2	-41.1	177.2	-74.3	-21.6	0	0	0	112.8	I361 N362 E363 L367 K368 K369	I361-N365 WeakPolarHBondContact O-CB 3.32Å; I361-N365 PolarHBondContact O-N 2.8Å; I361-N365 PolarHBondContact O-ND2 2.95Å; N362-N365 PolarHBondContact O-N 3.04Å; E363-N365 VanDerWaalsContact C-N 3.3Å; E363-N365 PolarHBondContact O-N 3.3Å; N365-L367 VanDerWaalsContact C-N 3.3Å; N365-L367 PolarHBondContact O-N 2.7Å; N365-K368 PolarHBondContact O-N 3.18Å; N365-K369 PolarHBondContact O-N 2.8Å
366	V	72.2	Confident	71.1	Confident	82 Å²	82	58.4 Å²	58.4	50%	0.497	31%	0.306	S	S	.	.	H	α-helix	trans	-60.5	-44.5	173.2	171.1	0	0	0	0	110.3	N362 E363 K369 Q370	N362-V366 WeakPolarHBondContact O-CG2 3.44Å; N362-V366 PolarHBondContact O-N 3.06Å; E363-V366 PolarHBondContact O-N 3.34Å; V366-K369 WeakPolarHBondContact O-CB 3.27Å; V366-K369 PolarHBondContact O-N 3.22Å; V366-Q370 WeakPolarHBondContact O-CG 3.26Å; V366-Q370 PolarHBondContact O-N 3.45Å
367	L	71.6	Confident	72.4	Confident	18 Å²	18	60.5 Å²	60.5	9%	0.094	32%	0.317	C	S	.	.	H	α-helix	trans	-65.5	-43.2	178.6	-175.4	73.7	0	0	0	112.6	E228 F357 E363 A364 N365 K369 Q370 F371	E228-L367 HydrophobicContact CB-CD1 3.76Å; E228-L367 HydrophobicContact CB-CD2 3.4Å; E228-L367 HydrophobicContact CB-CG 4.14Å; E228-L367 HydrophobicContact CG-CD2 3.38Å; F357-L367 HydrophobicContact CD1-CD2 3.8Å; F357-L367 HydrophobicContact CE1-CD2 4.11Å; E363-L367 VanDerWaalsContact O-CB 3.24Å; E363-L367 WeakPolarHBondContact O-CB 3.14Å; E363-L367 PolarHBondContact O-N 3.03Å; A364-L367 PolarHBondContact O-N 3.08Å; N365-L367 VanDerWaalsContact C-N 3.3Å; N365-L367 PolarHBondContact O-N 2.7Å; L367-K369 VanDerWaalsContact C-N 3.25Å; L367-K369 PolarHBondContact O-N 2.81Å; L367-Q370 PolarHBondContact O-N 2.87Å; L367-F371 HydrophobicContact CD1-CD2 3.92Å; L367-F371 HydrophobicContact CD1-CE2 3.71Å; L367-F371 HydrophobicContact CD2-CE2 4.46Å; L367-F371 HydrophobicContact CG-CD2 3.94Å; L367-F371 HydrophobicContact CG-CE2 3.96Å; L367-F371 WeakPolarHBondContact O-CD2 3.36Å; L367-F371 PolarHBondContact O-N 2.89Å
368	K	74.5	Confident	73.9	Confident	43 Å²	43	58.8 Å²	58.8	19%	0.187	31%	0.31	C	S	.	.	H	α-helix	trans	-53	-46.9	172.3	-80.4	176.5	-174.3	-171.7	0	110.4	A364 N365 R372 F409 D411	A364-K368 WeakPolarHBondContact O-CB 3.34Å; A364-K368 WeakPolarHBondContact O-CG 3.37Å; A364-K368 PolarHBondContact O-N 3.36Å; N365-K368 PolarHBondContact O-N 3.18Å; K368-R372 WeakPolarHBondContact O-CB 3.5Å; K368-R372 PolarHBondContact O-N 3.48Å; K368-F409 HydrophobicContact CD-CB 4.1Å; K368-F409 HydrophobicContact CD-CD1 3.99Å; K368-F409 HydrophobicContact CD-CG 4.18Å; K368-F409 HydrophobicContact CG-CB 4.18Å; K368-F409 HydrophobicContact CG-CD1 3.45Å; K368-F409 VanDerWaalsContact CG-CD1 3.45Å; K368-F409 HydrophobicContact CG-CD2 4.25Å; K368-F409 HydrophobicContact CG-CE1 3.68Å; K368-F409 HydrophobicContact CG-CE2 4.47Å; K368-F409 HydrophobicContact CG-CG 3.73Å; K368-F409 HydrophobicContact CG-CZ 4.19Å; K368-F409 PolarHBondContact NZ-O 3.24Å; K368-F409 VanDerWaalsContact NZ-O 3.14Å; K368-D411 IonicContact NZ-OD1 3.9Å; K368-D411 IonicContact NZ-OD2 3.38Å
369	K	77.6	Confident	75.6	Confident	108 Å²	108	54.8 Å²	54.8	47%	0.47	29%	0.285	S	S	.	.	H	α-helix	trans	-63.3	-44.7	177.6	-179.5	175.6	174.5	178.9	0	112	N365 V366 L367 R372 E373	N365-K369 PolarHBondContact O-N 2.8Å; V366-K369 WeakPolarHBondContact O-CB 3.27Å; V366-K369 PolarHBondContact O-N 3.22Å; L367-K369 VanDerWaalsContact C-N 3.25Å; L367-K369 PolarHBondContact O-N 2.81Å; K369-R372 WeakPolarHBondContact O-CB 3.46Å; K369-R372 PolarHBondContact O-N 3.08Å; K369-E373 WeakPolarHBondContact CE-OE1 3.46Å; K369-E373 WeakPolarHBondContact CG-OE1 3.45Å; K369-E373 WeakPolarHBondContact O-CG 3.29Å; K369-E373 PolarHBondContact O-N 2.96Å
370	Q	79.5	Confident	77.4	Confident	47 Å²	47	57.4 Å²	57.4	22%	0.22	28%	0.282	C	S	.	.	H	α-helix	trans	-61.9	-49.6	177.3	-72.6	174.8	-17.4	0	0	111.8	F207 V366 L367 R372 E373 H374	F207-Q370 HydrophobicContact CD1-CB 4.04Å; F207-Q370 HydrophobicContact CD1-CG 4.44Å; F207-Q370 HydrophobicContact CE1-CB 3.84Å; V366-Q370 WeakPolarHBondContact O-CG 3.26Å; V366-Q370 PolarHBondContact O-N 3.45Å; L367-Q370 PolarHBondContact O-N 2.87Å; Q370-R372 VanDerWaalsContact C-N 3.25Å; Q370-R372 PolarHBondContact O-N 2.61Å; Q370-E373 PolarHBondContact O-N 3.28Å; Q370-E373 VanDerWaalsContact O-N 3.14Å; Q370-H374 VanDerWaalsContact C-CD2 3.49Å; Q370-H374 PolarHBondContact O-CD2 2.72Å; Q370-H374 VanDerWaalsContact O-CG 3.3Å; Q370-H374 PolarHBondContact O-N 2.83Å
371	F	81.7	Confident	79.1	Confident	1 Å²	1	53.2 Å²	53.2	0%	0.004	26%	0.259	C	S	.	.	H	α-helix	trans	-54	-45.3	175.4	-93.7	-112.8	0	0	0	111.3	F163 F207 E228 A231 F232 L367 H374 F375 L405 F409	F163-F371 HydrophobicContact CE1-CB 4.34Å; F207-F371 HydrophobicContact CE1-CD2 4.27Å; F207-F371 HydrophobicContact CE1-CE2 4.34Å; F207-F371 HydrophobicContact CZ-CD2 4.26Å; F207-F371 HydrophobicContact CZ-CE2 4.04Å; E228-F371 HydrophobicContact CB-CE2 4.28Å; E228-F371 VanDerWaalsContact O-CZ 3.25Å; E228-F371 WeakPolarHBondContact O-CZ 3.43Å; A231-F371 HydrophobicContact CB-CZ 4.38Å; F232-F371 HydrophobicContact CB-CE1 3.99Å; F232-F371 HydrophobicContact CB-CE2 4.41Å; F232-F371 HydrophobicContact CB-CZ 3.82Å; F232-F371 HydrophobicContact CD2-CD1 4.04Å; F232-F371 HydrophobicContact CD2-CE1 4.07Å; F232-F371 HydrophobicContact CD2-CG 4.49Å; L367-F371 HydrophobicContact CD1-CD2 3.92Å; L367-F371 HydrophobicContact CD1-CE2 3.71Å; L367-F371 HydrophobicContact CD2-CE2 4.46Å; L367-F371 HydrophobicContact CG-CD2 3.94Å; L367-F371 HydrophobicContact CG-CE2 3.96Å; L367-F371 WeakPolarHBondContact O-CD2 3.36Å; L367-F371 PolarHBondContact O-N 2.89Å; F371-H374 PolarHBondContact O-N 3.21Å; F371-F375 HydrophobicContact CD1-CE2 4.3Å; F371-F375 WeakPolarHBondContact O-CD2 3.35Å; F371-F375 PolarHBondContact O-N 2.88Å; F371-L405 HydrophobicContact CD1-CD1 3.93Å; F371-L405 HydrophobicContact CD1-CD2 4.31Å; F371-F409 HydrophobicContact CB-CE2 4.38Å
372	R	80.3	Confident	80.6	Confident	31 Å²	31	47.8 Å²	47.8	12%	0.117	23%	0.232	C	C	.	.	H	α-helix	trans	-60	-47.8	177.5	-171.6	-178.8	68.1	-153	8.1	112.1	E160 T162 F163 K368 K369 Q370 F375 R376	E160-R372 VanDerWaalsContact C-NH1 3.3Å; E160-R372 WeakPolarHBondContact O-CD 3.27Å; E160-R372 PolarHBondContact O-NH1 3.16Å; T162-R372 WeakPolarHBondContact O-CD 3.35Å; T162-R372 VanDerWaalsContact O-CG 3.23Å; T162-R372 WeakPolarHBondContact O-CG 3.44Å; F163-R372 HydrophobicContact CD1-CB 4.06Å; F163-R372 HydrophobicContact CD1-CG 4.29Å; F163-R372 HydrophobicContact CD2-CG 4.43Å; F163-R372 HydrophobicContact CE1-CB 3.88Å; F163-R372 HydrophobicContact CE1-CG 4.43Å; F163-R372 HydrophobicContact CG-CG 4.27Å; F163-R372 HydrophobicContact CZ-CB 4.18Å; K368-R372 WeakPolarHBondContact O-CB 3.5Å; K368-R372 PolarHBondContact O-N 3.48Å; K369-R372 WeakPolarHBondContact O-CB 3.46Å; K369-R372 PolarHBondContact O-N 3.08Å; Q370-R372 VanDerWaalsContact C-N 3.25Å; Q370-R372 PolarHBondContact O-N 2.61Å; R372-F375 PolarHBondContact O-N 2.76Å; R372-R376 WeakPolarHBondContact O-CB 3.49Å; R372-R376 WeakPolarHBondContact O-CG 3.47Å; R372-R376 PolarHBondContact O-N 3.36Å
373	E	83.4	Confident	81.8	Confident	85 Å²	85	43 Å²	43	40%	0.397	21%	0.206	S	C	.	.	H	α-helix	trans	-61.4	-45.2	178.3	-73.7	172.1	-175.4	0	0	111.6	K369 Q370 R376 N377	K369-E373 WeakPolarHBondContact CE-OE1 3.46Å; K369-E373 WeakPolarHBondContact CG-OE1 3.45Å; K369-E373 WeakPolarHBondContact O-CG 3.29Å; K369-E373 PolarHBondContact O-N 2.96Å; Q370-E373 PolarHBondContact O-N 3.28Å; Q370-E373 VanDerWaalsContact O-N 3.14Å; E373-R376 PolarHBondContact O-N 2.85Å; E373-N377 PolarHBondContact O-N 2.91Å
374	H	86.5	Confident	83.1	Confident	16 Å²	16	37.2 Å²	37.2	7%	0.074	18%	0.18	C	C	.	.	H	α-helix	trans	-64.5	-42.3	178.3	-64.1	-55.4	0	0	0	112.5	E204 F207 F232 Q370 F371 N377 I378	E204-H374 PolarHBondContact O-CE1 2.72Å; E204-H374 VanDerWaalsContact O-CE1 3.28Å; E204-H374 PolarHBondContact O-ND1 2.9Å; F207-H374 AromaticContact CD1-CD2 3.87Å; F207-H374 AromaticContact CD1-NE2 3.32Å; F207-H374 VanDerWaalsContact CD1-NE2 3.32Å; F207-H374 WeakPolarHBondContact CD1-NE2 3.4Å; F207-H374 AromaticContact CE1-CD2 3.41Å; F207-H374 VanDerWaalsContact CE1-CD2 3.41Å; F207-H374 WeakPolarHBondContact CE1-CD2 3.31Å; F207-H374 AromaticContact CE1-NE2 3.4Å; F207-H374 WeakPolarHBondContact CE1-NE2 3.48Å; F207-H374 AromaticContact CG-NE2 3.82Å; F207-H374 AromaticContact CZ-CD2 3.69Å; F207-H374 AromaticContact CZ-NE2 3.94Å; F232-H374 HydrophobicContact CD2-CB 4.44Å; F232-H374 HydrophobicContact CE1-CB 4.49Å; F232-H374 HydrophobicContact CE2-CB 3.51Å; F232-H374 HydrophobicContact CZ-CB 3.53Å; Q370-H374 VanDerWaalsContact C-CD2 3.49Å; Q370-H374 PolarHBondContact O-CD2 2.72Å; Q370-H374 VanDerWaalsContact O-CG 3.3Å; Q370-H374 PolarHBondContact O-N 2.83Å; F371-H374 PolarHBondContact O-N 3.21Å; H374-N377 PolarHBondContact O-N 3.08Å; H374-I378 WeakPolarHBondContact O-CG1 3.44Å; H374-I378 PolarHBondContact O-N 2.72Å
375	F	87.1	Confident	84.3	Confident	2 Å²	2	36.9 Å²	36.9	1%	0.009	18%	0.176	C	C	.	.	H	α-helix	trans	-67.5	-34.2	175.3	-88.6	-83.9	0	0	0	112.9	F163 F232 M235 F371 R372 I378 S379 T398 M401 L405	F163-F375 CarbonylContact O-C 3.13Å; F163-F375 WeakPolarHBondContact O-CB 3.42Å; F232-F375 HydrophobicContact CD2-CD2 4.19Å; F232-F375 AromaticContact CD2-CE2 3.66Å; F232-F375 HydrophobicContact CD2-CE2 3.66Å; F232-F375 HydrophobicContact CD2-CZ 4.47Å; F232-F375 AromaticContact CE2-CD2 3.6Å; F232-F375 HydrophobicContact CE2-CD2 3.6Å; F232-F375 AromaticContact CE2-CE2 3.4Å; F232-F375 HydrophobicContact CE2-CE2 3.4Å; F232-F375 VanDerWaalsContact CE2-CE2 3.4Å; F232-F375 HydrophobicContact CE2-CG 4.46Å; F232-F375 HydrophobicContact CE2-CZ 4.16Å; F232-F375 HydrophobicContact CZ-CE2 4.46Å; M235-F375 HydrophobicContact CE-CZ 4.5Å; F371-F375 HydrophobicContact CD1-CE2 4.3Å; F371-F375 WeakPolarHBondContact O-CD2 3.35Å; F371-F375 PolarHBondContact O-N 2.88Å; R372-F375 PolarHBondContact O-N 2.76Å; F375-I378 PolarHBondContact O-N 3.03Å; F375-S379 WeakPolarHBondContact O-CB 3.49Å; F375-S379 PolarHBondContact O-N 2.95Å; F375-T398 HydrophobicContact CD1-CG2 4.27Å; F375-M401 HydrophobicContact CE1-CB 3.66Å; F375-M401 HydrophobicContact CE1-CE 3.91Å; F375-M401 HydrophobicContact CE1-SD 4.36Å; F375-M401 HydrophobicContact CZ-CB 4.21Å; F375-M401 HydrophobicContact CZ-CE 3.86Å; F375-L405 HydrophobicContact CD2-CD1 3.54Å; F375-L405 HydrophobicContact CE1-CD1 4.46Å; F375-L405 HydrophobicContact CE2-CD1 3.12Å; F375-L405 HydrophobicContact CG-CD1 4.38Å; F375-L405 HydrophobicContact CZ-CD1 3.65Å
376	R	86.2	Confident	85.1	Confident	54 Å²	54	33.4 Å²	33.4	20%	0.204	16%	0.159	C	C	.	.	H	α-helix	trans	-62.8	-42.7	172	-76.2	-178.7	-177.6	-165.1	1.1	111.3	H157 T162 F163 R372 E373 S379 R380	H157-R376 VanDerWaalsContact O-CZ 3.26Å; H157-R376 PolarHBondContact O-NH1 3.42Å; H157-R376 PolarHBondContact O-NH2 3.06Å; T162-R376 VanDerWaalsContact O-CZ 3.22Å; T162-R376 PolarHBondContact O-NE 2.9Å; T162-R376 PolarHBondContact O-NH2 3.4Å; F163-R376 WeakPolarHBondContact O-CG 3.44Å; F163-R376 PolarHBondContact O-N 3.44Å; F163-R376 VanDerWaalsContact O-N 3.14Å; R372-R376 WeakPolarHBondContact O-CB 3.49Å; R372-R376 WeakPolarHBondContact O-CG 3.47Å; R372-R376 PolarHBondContact O-N 3.36Å; E373-R376 PolarHBondContact O-N 2.85Å; R376-S379 VanDerWaalsContact O-CB 3.29Å; R376-S379 WeakPolarHBondContact O-CB 3.33Å; R376-S379 PolarHBondContact O-N 3.44Å; R376-R380 PolarHBondContact O-N 3.28Å; R376-R380 VanDerWaalsContact O-N 3.14Å
377	N	88.8	Confident	85.9	Confident	53 Å²	53	29.5 Å²	29.5	28%	0.283	14%	0.135	S	C	.	.	H	α-helix	trans	-66	-42.5	176.1	-69.2	-15	0	0	0	112	E204 E373 H374 S379 R380 I381	E204-N377 VanDerWaalsContact CD-CB 3.46Å; E204-N377 HydrophobicContact CG-CB 4.06Å; E204-N377 WeakPolarHBondContact OE2-CB 3.47Å; E204-N377 PolarHBondContact OE2-ND2 2.79Å; E373-N377 PolarHBondContact O-N 2.91Å; H374-N377 PolarHBondContact O-N 3.08Å; N377-S379 VanDerWaalsContact C-N 3.27Å; N377-S379 PolarHBondContact O-N 3.35Å; N377-R380 WeakPolarHBondContact O-CB 3.28Å; N377-R380 PolarHBondContact O-N 3.37Å; N377-R380 VanDerWaalsContact O-N 3.12Å; N377-I381 WeakPolarHBondContact O-CG1 3.5Å; N377-I381 PolarHBondContact O-N 3.16Å
378	I	91.6	Very high	86.8	Confident	6 Å²	6	32 Å²	32	3%	0.031	15%	0.146	C	C	.	.	H	α-helix	trans	-58.7	-41.8	173.1	-68	175.3	0	0	0	110.8	V201 E204 F232 V236 H374 F375 R380 I381 M382 T398	V201-I378 HydrophobicContact CG1-CD1 4.06Å; V201-I378 HydrophobicContact CG1-CG1 4.25Å; V201-I378 HydrophobicContact CG1-CG2 4.26Å; V201-I378 HydrophobicContact CG2-CG2 4.39Å; E204-I378 HydrophobicContact CB-CD1 4.35Å; E204-I378 HydrophobicContact CB-CG1 3.98Å; E204-I378 HydrophobicContact CG-CG1 3.93Å; F232-I378 HydrophobicContact CE1-CD1 4.11Å; F232-I378 HydrophobicContact CE2-CD1 4.37Å; F232-I378 HydrophobicContact CZ-CD1 3.47Å; F232-I378 VanDerWaalsContact CZ-CD1 3.47Å; V236-I378 HydrophobicContact CG2-CD1 4.07Å; H374-I378 WeakPolarHBondContact O-CG1 3.44Å; H374-I378 PolarHBondContact O-N 2.72Å; F375-I378 PolarHBondContact O-N 3.03Å; I378-R380 VanDerWaalsContact C-N 3.28Å; I378-R380 PolarHBondContact O-N 3.21Å; I378-I381 WeakPolarHBondContact O-CB 3.45Å; I378-I381 PolarHBondContact O-N 3.44Å; I378-M382 HydrophobicContact CG2-CE 4Å; I378-M382 WeakPolarHBondContact O-CG 3.38Å; I378-M382 PolarHBondContact O-N 2.94Å; I378-T398 HydrophobicContact CB-CG2 4.34Å; I378-T398 HydrophobicContact CG2-CG2 3.72Å
379	S	89.3	Confident	87.5	Confident	13 Å²	13	30.3 Å²	30.3	9%	0.091	14%	0.139	C	C	.	.	H	α-helix	trans	-56.1	-43	175.7	-164.2	0	0	0	0	111.7	F375 R376 N377 M382	F375-S379 WeakPolarHBondContact O-CB 3.49Å; F375-S379 PolarHBondContact O-N 2.95Å; R376-S379 VanDerWaalsContact O-CB 3.29Å; R376-S379 WeakPolarHBondContact O-CB 3.33Å; R376-S379 PolarHBondContact O-N 3.44Å; N377-S379 VanDerWaalsContact C-N 3.27Å; N377-S379 PolarHBondContact O-N 3.35Å; S379-M382 WeakPolarHBondContact O-CB 3.28Å; S379-M382 PolarHBondContact O-N 2.69Å
380	R	90.7	Very high	88.2	Confident	98 Å²	98	26.8 Å²	26.8	37%	0.37	13%	0.128	S	C	.	.	H	α-helix	trans	-66.1	-35.5	174.5	-70.6	172	175.2	177.7	-2.7	113	P79 F80 E165 R376 N377 I378 M382 D383	P79-R380 HydrophobicContact CG-CB 4.25Å; F80-R380 HydrophobicContact CE2-CB 3.88Å; F80-R380 HydrophobicContact CZ-CB 3.95Å; E165-R380 IonicContact OE1-CZ 3.61Å; E165-R380 IonicContact OE1-NE 2.87Å; E165-R380 PolarHBondContact OE1-NE 3.31Å; E165-R380 IonicContact OE1-NH2 2.85Å; E165-R380 PolarHBondContact OE1-NH2 3.15Å; E165-R380 WeakPolarHBondContact OE2-CG 3.49Å; E165-R380 IonicContact OE2-CZ 3.73Å; E165-R380 IonicContact OE2-NE 2.81Å; E165-R380 PolarHBondContact OE2-NE 3.41Å; E165-R380 IonicContact OE2-NH2 3.72Å; R376-R380 PolarHBondContact O-N 3.28Å; R376-R380 VanDerWaalsContact O-N 3.14Å; N377-R380 WeakPolarHBondContact O-CB 3.28Å; N377-R380 PolarHBondContact O-N 3.37Å; N377-R380 VanDerWaalsContact O-N 3.12Å; I378-R380 VanDerWaalsContact C-N 3.28Å; I378-R380 PolarHBondContact O-N 3.21Å; R380-M382 PolarHBondContact O-N 3.46Å; R380-D383 WeakPolarHBondContact O-CB 3.34Å; R380-D383 PolarHBondContact O-N 3.42Å
381	I	92.2	Very high	88.8	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-65.6	-32.3	177.3	-66.4	162.7	0	0	0	110.6	F80 I197 M200 V201 E204 N377 I378 D383 C384	F80-I381 HydrophobicContact CD2-CG1 4.26Å; F80-I381 HydrophobicContact CE2-CB 4.35Å; F80-I381 HydrophobicContact CE2-CG1 3.58Å; F80-I381 HydrophobicContact CZ-CG1 4.13Å; I197-I381 HydrophobicContact CG2-CG2 4.1Å; M200-I381 HydrophobicContact CB-CD1 3.78Å; M200-I381 HydrophobicContact CB-CG1 4.18Å; M200-I381 HydrophobicContact CB-CG2 4.01Å; M200-I381 HydrophobicContact CE-CG1 4.18Å; V201-I381 HydrophobicContact CG2-CB 4.45Å; V201-I381 HydrophobicContact CG2-CG2 3.79Å; E204-I381 HydrophobicContact CG-CD1 3.67Å; N377-I381 WeakPolarHBondContact O-CG1 3.5Å; N377-I381 PolarHBondContact O-N 3.16Å; I378-I381 WeakPolarHBondContact O-CB 3.45Å; I378-I381 PolarHBondContact O-N 3.44Å; I381-D383 PolarHBondContact O-N 3.23Å; I381-C384 VanDerWaalsContact O-CB 3.31Å; I381-C384 WeakPolarHBondContact O-CB 3.39Å; I381-C384 PolarHBondContact O-N 3.06Å
382	M	93	Very high	89.4	Confident	14 Å²	14	24.8 Å²	24.8	7%	0.069	12%	0.118	C	C	.	.	H	α-helix	trans	-60.4	-26.4	177.1	-64.7	-56.5	106.7	0	0	112.4	I197 V201 I378 S379 R380 C384 V385 R391 K395	I197-M382 HydrophobicContact CG2-CE 4.48Å; V201-M382 HydrophobicContact CG2-CE 3.52Å; I378-M382 HydrophobicContact CG2-CE 4Å; I378-M382 WeakPolarHBondContact O-CG 3.38Å; I378-M382 PolarHBondContact O-N 2.94Å; S379-M382 WeakPolarHBondContact O-CB 3.28Å; S379-M382 PolarHBondContact O-N 2.69Å; R380-M382 PolarHBondContact O-N 3.46Å; M382-C384 PolarHBondContact O-N 3.46Å; M382-V385 WeakPolarHBondContact O-CB 3.44Å; M382-V385 WeakPolarHBondContact O-CG2 3.42Å; M382-V385 PolarHBondContact O-N 3.42Å; M382-V385 HydrophobicContact SD-CG2 4.44Å; M382-R391 WeakPolarHBondContact O-CG 3.41Å; M382-K395 HydrophobicContact CB-CG 3.9Å
383	D	90.7	Very high	90.1	Very high	5 Å²	5	23.8 Å²	23.8	3%	0.027	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-16.9	175.2	-69.8	-38.1	0	0	0	114	R76 R380 I381 R391 K395	R76-D383 WeakPolarHBondContact CD-OD2 3.42Å; R380-D383 WeakPolarHBondContact O-CB 3.34Å; R380-D383 PolarHBondContact O-N 3.42Å; I381-D383 PolarHBondContact O-N 3.23Å; D383-R391 VanDerWaalsContact CA-NH2 3.34Å; D383-R391 VanDerWaalsContact CB-NH2 3.31Å; D383-R391 VanDerWaalsContact CG-NH2 3.29Å; D383-R391 PolarHBondContact O-NH2 3.32Å; D383-R391 IonicContact OD1-CZ 3.48Å; D383-R391 IonicContact OD1-NE 3.99Å; D383-R391 IonicContact OD1-NH2 2.75Å; D383-R391 PolarHBondContact OD1-NH2 3.42Å; D383-K395 WeakPolarHBondContact OD1-CE 3.25Å; D383-K395 IonicContact OD1-NZ 3.15Å; D383-K395 PolarHBondContact OD1-NZ 3.08Å
384	C	90.9	Very high	90.6	Very high	8 Å²	8	20.1 Å²	20.1	5%	0.054	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-1.9	178.4	-57.4	0	0	0	0	113.8	C78 F81 I197 I381 M382 G386	C78-C384 VanDerWaalsContact CA-SG 3.57Å; C78-C384 HydrophobicContact CB-CB 3.79Å; C78-C384 WeakPolarHBondContact CB-SG 3.33Å; C78-C384 WeakPolarHBondContact SG-CB 3.46Å; C78-C384 CovalentContact SG-SG 2.03Å; C78-C384 PolarHBondContact SG-SG 3.19Å; F81-C384 HydrophobicContact CE1-CB 3.88Å; F81-C384 HydrophobicContact CE2-CB 4.21Å; F81-C384 HydrophobicContact CZ-CB 3.52Å; I197-C384 HydrophobicContact CD1-CB 3.62Å; I197-C384 WeakPolarHBondContact CD1-O 3.5Å; I381-C384 VanDerWaalsContact O-CB 3.31Å; I381-C384 WeakPolarHBondContact O-CB 3.39Å; I381-C384 PolarHBondContact O-N 3.06Å; M382-C384 PolarHBondContact O-N 3.46Å; C384-G386 PolarHBondContact O-N 3.18Å
385	V	91.2	Very high	91	Very high	11 Å²	11	20.1 Å²	20.1	7%	0.067	10%	0.099	C	C	.	.			trans	-73.4	111.1	178.9	179.7	0	0	0	0	109.6	Y189 I197 M382 C387 C390 R391	Y189-V385 HydrophobicContact CE1-CG1 4.05Å; I197-V385 HydrophobicContact CD1-CG2 4.47Å; I197-V385 HydrophobicContact CG1-CG2 4.25Å; I197-V385 HydrophobicContact CG2-CG2 3.84Å; M382-V385 WeakPolarHBondContact O-CB 3.44Å; M382-V385 WeakPolarHBondContact O-CG2 3.42Å; M382-V385 PolarHBondContact O-N 3.42Å; M382-V385 HydrophobicContact SD-CG2 4.44Å; V385-C387 HydrophobicContact CG1-CB 4.31Å; V385-C387 PolarHBondContact O-N 3.29Å; V385-C390 HydrophobicContact CG1-CB 3.6Å; V385-R391 HydrophobicContact CB-CB 4.01Å; V385-R391 HydrophobicContact CG1-CB 4.2Å
386	G	87.5	Confident	91.4	Very high	7 Å²	7	20 Å²	20	7%	0.072	10%	0.099	C	C	.	.	S	Bend	trans	-70.7	-10.1	-178.2	0	0	0	0	0	115.4	C384	C384-G386 PolarHBondContact O-N 3.18Å
387	C	88.8	Confident	91.9	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.09	C	C	.	.	S	Bend	trans	-95.8	118.5	175.6	160	0	0	0	0	110.6	C92 T187 Y189 V385 K389 C390 R391	C92-C387 WeakPolarHBondContact SG-CA 3.1Å; T187-C387 PolarHBondContact OG1-SG 3.2Å; Y189-C387 HydrophobicContact CD1-CB 4.03Å; Y189-C387 HydrophobicContact CD2-CB 3.73Å; Y189-C387 HydrophobicContact CE2-CB 4.29Å; Y189-C387 HydrophobicContact CG-CB 3.59Å; V385-C387 HydrophobicContact CG1-CB 4.31Å; V385-C387 PolarHBondContact O-N 3.29Å; C387-K389 PolarHBondContact O-N 3.33Å; C387-C390 HydrophobicContact CB-CB 3.54Å; C387-C390 WeakPolarHBondContact CB-SG 3.24Å; C387-C390 WeakPolarHBondContact O-CB 3.39Å; C387-C390 PolarHBondContact O-N 2.93Å; C387-C390 WeakPolarHBondContact SG-CB 3.45Å; C387-C390 PolarHBondContact SG-N 2.85Å; C387-C390 CovalentContact SG-SG 2.05Å; C387-C390 PolarHBondContact SG-SG 3Å; C387-R391 WeakPolarHBondContact O-CB 3.35Å; C387-R391 PolarHBondContact O-N 3.09Å
388	E	90.3	Very high	92.2	Very high	69 Å²	69	15.2 Å²	15.2	32%	0.322	8%	0.077	S	C	.	.	H	α-helix	trans	-61.7	-48.7	-173.3	-64.9	170.5	-163.4	0	0	112.9	R93 V94 C390 R391 L392	R93-E388 WeakPolarHBondContact CA-OE2 3.46Å; V94-E388 HydrophobicContact CB-CB 4.36Å; V94-E388 HydrophobicContact CG2-CB 3.83Å; V94-E388 PolarHBondContact N-OE2 2.75Å; E388-C390 VanDerWaalsContact C-N 3.3Å; E388-C390 PolarHBondContact O-N 2.89Å; E388-R391 WeakPolarHBondContact O-CB 3.39Å; E388-R391 PolarHBondContact O-N 3.22Å; E388-L392 WeakPolarHBondContact O-CB 3.06Å; E388-L392 PolarHBondContact O-N 3.34Å
389	K	90.4	Very high	92.3	Very high	8 Å²	8	16 Å²	16	4%	0.035	8%	0.081	C	C	.	.	H	α-helix	trans	-62.8	-38.1	175.6	-76.1	-167.3	-174.3	109.5	0	112.5	D91 C92 R93 V94 T187 C387 R391 L392 W393	D91-K389 WeakPolarHBondContact O-CD 3.37Å; D91-K389 PolarHBondContact O-NZ 3.34Å; C92-K389 WeakPolarHBondContact O-CG 3.36Å; C92-K389 PolarHBondContact O-N 3.05Å; R93-K389 WeakPolarHBondContact O-CE 3.28Å; R93-K389 PolarHBondContact O-NZ 2.82Å; V94-K389 HydrophobicContact CG2-CG 3.87Å; T187-K389 HydrophobicContact CG2-CB 4.14Å; C387-K389 PolarHBondContact O-N 3.33Å; K389-R391 VanDerWaalsContact C-N 3.3Å; K389-L392 PolarHBondContact O-N 3.1Å; K389-W393 VanDerWaalsContact O-CD1 3.28Å; K389-W393 PolarHBondContact O-N 2.52Å
390	C	92.5	Very high	92.6	Very high	35 Å²	35	15.4 Å²	15.4	24%	0.236	8%	0.076	C	C	.	.	H	α-helix	trans	-66.4	-37.6	178	-47.6	0	0	0	0	110.7	T187 V385 C387 E388 G394	T187-C390 PolarHBondContact OG1-SG 2.58Å; V385-C390 HydrophobicContact CG1-CB 3.6Å; C387-C390 HydrophobicContact CB-CB 3.54Å; C387-C390 WeakPolarHBondContact CB-SG 3.24Å; C387-C390 WeakPolarHBondContact O-CB 3.39Å; C387-C390 PolarHBondContact O-N 2.93Å; C387-C390 WeakPolarHBondContact SG-CB 3.45Å; C387-C390 PolarHBondContact SG-N 2.85Å; C387-C390 CovalentContact SG-SG 2.05Å; C387-C390 PolarHBondContact SG-SG 3Å; E388-C390 VanDerWaalsContact C-N 3.3Å; E388-C390 PolarHBondContact O-N 2.89Å; C390-G394 WeakPolarHBondContact O-CA 3.27Å; C390-G394 PolarHBondContact O-N 3.24Å
391	R	92.7	Very high	92.8	Very high	5 Å²	5	10.9 Å²	10.9	2%	0.019	6%	0.059	C	C	.	.	H	α-helix	trans	-66.4	-47.5	174.8	-178.4	172.1	-175.7	175.1	11.3	111.4	L74 R76 M382 D383 V385 C387 E388 K389 G394 K395	L74-R391 HydrophobicContact CD2-CB 4.43Å; L74-R391 HydrophobicContact CD2-CG 4.04Å; L74-R391 PolarHBondContact O-NH1 3.17Å; R76-R391 VanDerWaalsContact O-CZ 3.27Å; R76-R391 PolarHBondContact O-NH1 3.1Å; R76-R391 PolarHBondContact O-NH2 3.14Å; M382-R391 WeakPolarHBondContact O-CG 3.41Å; D383-R391 VanDerWaalsContact CA-NH2 3.34Å; D383-R391 VanDerWaalsContact CB-NH2 3.31Å; D383-R391 VanDerWaalsContact CG-NH2 3.29Å; D383-R391 PolarHBondContact O-NH2 3.32Å; D383-R391 IonicContact OD1-CZ 3.48Å; D383-R391 IonicContact OD1-NE 3.99Å; D383-R391 IonicContact OD1-NH2 2.75Å; D383-R391 PolarHBondContact OD1-NH2 3.42Å; V385-R391 HydrophobicContact CB-CB 4.01Å; V385-R391 HydrophobicContact CG1-CB 4.2Å; C387-R391 WeakPolarHBondContact O-CB 3.35Å; C387-R391 PolarHBondContact O-N 3.09Å; E388-R391 WeakPolarHBondContact O-CB 3.39Å; E388-R391 PolarHBondContact O-N 3.22Å; K389-R391 VanDerWaalsContact C-N 3.3Å; R391-G394 PolarHBondContact O-N 3.28Å; R391-K395 WeakPolarHBondContact O-CB 3.34Å; R391-K395 WeakPolarHBondContact O-CG 3.45Å; R391-K395 PolarHBondContact O-N 2.94Å
392	L	92.8	Very high	92.7	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-54	-57.6	175.5	172.9	68.2	0	0	0	111.3	F70 V72 L74 V94 V177 L179 N182 E388 K389 L396	F70-L392 HydrophobicContact CD1-CD1 3.99Å; F70-L392 HydrophobicContact CE1-CD1 4.45Å; V72-L392 HydrophobicContact CG1-CD1 3.81Å; L74-L392 HydrophobicContact CD2-CB 4.17Å; V94-L392 HydrophobicContact CG1-CD2 4.48Å; V94-L392 HydrophobicContact CG2-CB 4.25Å; V94-L392 HydrophobicContact CG2-CD2 3.99Å; V177-L392 HydrophobicContact CB-CD1 4.35Å; V177-L392 HydrophobicContact CG1-CD1 4.31Å; V177-L392 HydrophobicContact CG1-CD2 3.77Å; V177-L392 HydrophobicContact CG2-CD1 4.45Å; L179-L392 HydrophobicContact CD2-CD1 4.24Å; L179-L392 HydrophobicContact CD2-CD2 4.14Å; L179-L392 HydrophobicContact CD2-CG 4.29Å; N182-L392 HydrophobicContact CB-CD2 3.95Å; E388-L392 WeakPolarHBondContact O-CB 3.06Å; E388-L392 PolarHBondContact O-N 3.34Å; K389-L392 PolarHBondContact O-N 3.1Å; L392-L396 WeakPolarHBondContact O-CB 3.11Å; L392-L396 PolarHBondContact O-N 2.9Å
393	W	95.7	Very high	92.7	Very high	10 Å²	10	10.4 Å²	10.4	4%	0.038	6%	0.057	C	C	.	.	H	α-helix	trans	-68.6	-36.5	-178.9	-76.1	101.7	0	0	0	112.4	L179 N182 E184 K389 L396 Q397 N441 R445	L179-W393 HydrophobicContact CB-CH2 4.36Å; L179-W393 HydrophobicContact CB-CZ2 4.34Å; L179-W393 HydrophobicContact CD2-CH2 4.48Å; L179-W393 HydrophobicContact CD2-CZ2 4.33Å; N182-W393 PolarHBondContact O-NE1 3.34Å; E184-W393 HydrophobicContact CB-CD2 3.88Å; E184-W393 HydrophobicContact CB-CE3 4.48Å; E184-W393 HydrophobicContact CB-CG 3.97Å; E184-W393 HydrophobicContact CG-CG 4.33Å; K389-W393 VanDerWaalsContact O-CD1 3.28Å; K389-W393 PolarHBondContact O-N 2.52Å; W393-L396 HydrophobicContact CE3-CD2 4.05Å; W393-L396 HydrophobicContact CZ3-CD1 4.38Å; W393-L396 HydrophobicContact CZ3-CD2 4.04Å; W393-L396 PolarHBondContact O-N 3.26Å; W393-Q397 VanDerWaalsContact O-CB 3.28Å; W393-Q397 WeakPolarHBondContact O-CB 3.49Å; W393-Q397 VanDerWaalsContact O-CG 3.26Å; W393-Q397 WeakPolarHBondContact O-CG 3.31Å; W393-Q397 PolarHBondContact O-N 3.12Å; W393-Q397 PolarHBondContact O-OE1 2.95Å; W393-N441 HydrophobicContact CZ3-CB 4.45Å; W393-R445 HydrophobicContact CE3-CG 4.08Å; W393-R445 HydrophobicContact CZ3-CG 3.81Å
394	G	94.9	Very high	92.8	Very high	8 Å²	8	10.1 Å²	10.1	8%	0.082	6%	0.056	C	C	.	.	H	α-helix	trans	-61	-46.3	176.1	0	0	0	0	0	112.7	C390 R391 T398	C390-G394 WeakPolarHBondContact O-CA 3.27Å; C390-G394 PolarHBondContact O-N 3.24Å; R391-G394 PolarHBondContact O-N 3.28Å; G394-T398 WeakPolarHBondContact O-CB 3.28Å; G394-T398 PolarHBondContact O-N 2.99Å; G394-T398 PolarHBondContact O-OG1 3.39Å
395	K	93.9	Very high	92.6	Very high	16 Å²	16	9.9 Å²	9.9	7%	0.07	5%	0.054	C	C	.	.	H	α-helix	trans	-60	-51.2	172.2	-77.8	-170.4	168	-162.8	0	111.3	V72 N73 D167 M382 D383 R391 Q397 T398 Q399	V72-K395 HydrophobicContact CG2-CD 3.79Å; N73-K395 PolarHBondContact O-NZ 3.27Å; D167-K395 IonicContact OD1-NZ 2.67Å; D167-K395 PolarHBondContact OD1-NZ 2.79Å; D167-K395 IonicContact OD2-NZ 3.53Å; D167-K395 PolarHBondContact OD2-NZ 3.23Å; D167-K395 VanDerWaalsContact OD2-NZ 3.15Å; M382-K395 HydrophobicContact CB-CG 3.9Å; D383-K395 WeakPolarHBondContact OD1-CE 3.25Å; D383-K395 IonicContact OD1-NZ 3.15Å; D383-K395 PolarHBondContact OD1-NZ 3.08Å; R391-K395 WeakPolarHBondContact O-CB 3.34Å; R391-K395 WeakPolarHBondContact O-CG 3.45Å; R391-K395 PolarHBondContact O-N 2.94Å; K395-Q397 PolarHBondContact O-N 2.91Å; K395-T398 PolarHBondContact O-N 3.35Å; K395-Q399 VanDerWaalsContact O-CB 3.29Å; K395-Q399 WeakPolarHBondContact O-CB 3.3Å; K395-Q399 PolarHBondContact O-N 2.96Å
396	L	95	Very high	92.4	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-59.9	-44.1	-178	-179.7	153	0	0	0	112.1	F70 L179 L392 W393 G400 S438 N441	F70-L396 HydrophobicContact CD1-CD1 4.29Å; F70-L396 HydrophobicContact CD2-CD1 4.41Å; F70-L396 HydrophobicContact CE1-CB 4.25Å; F70-L396 HydrophobicContact CE1-CD1 4.46Å; F70-L396 HydrophobicContact CG-CD1 4.25Å; F70-L396 HydrophobicContact CZ-CB 4.35Å; L179-L396 HydrophobicContact CD1-CD1 3.42Å; L179-L396 VanDerWaalsContact CD1-CD1 3.42Å; L179-L396 HydrophobicContact CD2-CD1 3.81Å; L179-L396 HydrophobicContact CG-CD1 4.29Å; L392-L396 WeakPolarHBondContact O-CB 3.11Å; L392-L396 PolarHBondContact O-N 2.9Å; W393-L396 HydrophobicContact CE3-CD2 4.05Å; W393-L396 HydrophobicContact CZ3-CD1 4.38Å; W393-L396 HydrophobicContact CZ3-CD2 4.04Å; W393-L396 PolarHBondContact O-N 3.26Å; L396-G400 PolarHBondContact O-N 3.05Å; L396-S438 WeakPolarHBondContact O-CB 3.35Å; L396-N441 HydrophobicContact CD1-CB 3.94Å; L396-N441 HydrophobicContact CD2-CB 3.4Å; L396-N441 HydrophobicContact CG-CB 4.17Å
397	Q	97.3	Very high	92.4	Very high	3 Å²	3	9.7 Å²	9.7	1%	0.014	5%	0.05	C	C	.	.	H	α-helix	trans	-74.8	-38.4	-177.7	-71.9	166.7	-31.8	0	0	111.8	E184 L239 W393 K395 Q399 G400 M401 A442	E184-Q397 PolarHBondContact OE1-NE2 3.34Å; E184-Q397 PolarHBondContact OE1-OE1 2.88Å; E184-Q397 PolarHBondContact OE2-NE2 2.74Å; L239-Q397 HydrophobicContact CD1-CB 3.62Å; L239-Q397 HydrophobicContact CD1-CG 4.05Å; L239-Q397 HydrophobicContact CD2-CB 4.44Å; W393-Q397 VanDerWaalsContact O-CB 3.28Å; W393-Q397 WeakPolarHBondContact O-CB 3.49Å; W393-Q397 VanDerWaalsContact O-CG 3.26Å; W393-Q397 WeakPolarHBondContact O-CG 3.31Å; W393-Q397 PolarHBondContact O-N 3.12Å; W393-Q397 PolarHBondContact O-OE1 2.95Å; K395-Q397 PolarHBondContact O-N 2.91Å; Q397-Q399 VanDerWaalsContact C-N 3.35Å; Q397-G400 PolarHBondContact O-N 2.79Å; Q397-M401 WeakPolarHBondContact O-CG 3.37Å; Q397-M401 PolarHBondContact O-N 2.91Å; Q397-A442 HydrophobicContact CG-CB 4.5Å
398	T	95	Very high	92.1	Very high	3 Å²	3	10.1 Å²	10.1	2%	0.018	5%	0.053	C	C	.	.	H	α-helix	trans	-65.5	-41.2	175.3	-60.8	0	0	0	0	110.5	F375 I378 G394 K395 G400 M401 G402	F375-T398 HydrophobicContact CD1-CG2 4.27Å; I378-T398 HydrophobicContact CB-CG2 4.34Å; I378-T398 HydrophobicContact CG2-CG2 3.72Å; G394-T398 WeakPolarHBondContact O-CB 3.28Å; G394-T398 PolarHBondContact O-N 2.99Å; G394-T398 PolarHBondContact O-OG1 3.39Å; K395-T398 PolarHBondContact O-N 3.35Å; T398-G400 VanDerWaalsContact C-N 3.34Å; T398-M401 PolarHBondContact O-N 3.49Å; T398-G402 PolarHBondContact O-N 3.49Å
399	Q	93.6	Very high	91.6	Very high	24 Å²	24	7.7 Å²	7.7	11%	0.112	4%	0.041	C	C	.	.	H	α-helix	trans	-63.8	-38.7	172	-174.9	167.4	-87.9	0	0	112.3	C164 K395 Q397 G402 T403 T434 S438	C164-Q399 HydrophobicContact CB-CG 4.5Å; C164-Q399 VanDerWaalsContact SG-CA 3.57Å; K395-Q399 VanDerWaalsContact O-CB 3.29Å; K395-Q399 WeakPolarHBondContact O-CB 3.3Å; K395-Q399 PolarHBondContact O-N 2.96Å; Q397-Q399 VanDerWaalsContact C-N 3.35Å; Q399-G402 PolarHBondContact O-N 3.22Å; Q399-T403 VanDerWaalsContact O-CB 3.28Å; Q399-T403 WeakPolarHBondContact O-CB 3.24Å; Q399-T403 PolarHBondContact O-N 3.3Å; Q399-T403 PolarHBondContact O-OG1 2.88Å; Q399-T434 VanDerWaalsContact NE2-C 3.33Å; Q399-T434 PolarHBondContact NE2-O 3.31Å; Q399-T434 VanDerWaalsContact NE2-O 3.12Å; Q399-S438 PolarHBondContact NE2-OG 3.02Å
400	G	95.7	Very high	90.8	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-60.8	-47.8	175.1	0	0	0	0	0	112	L396 Q397 T398 T403 A404	L396-G400 PolarHBondContact O-N 3.05Å; Q397-G400 PolarHBondContact O-N 2.79Å; T398-G400 VanDerWaalsContact C-N 3.34Å; G400-T403 PolarHBondContact O-N 2.95Å; G400-A404 WeakPolarHBondContact O-CB 3.41Å; G400-A404 PolarHBondContact O-N 3.34Å
401	M	94.5	Very high	89.4	Confident	2 Å²	2	11.5 Å²	11.5	1%	0.01	6%	0.06	C	C	.	.	H	α-helix	trans	-63.5	-44.2	175.6	-68.7	170.9	72.9	0	0	112.4	M235 L239 T302 E306 F375 Q397 T398 T403 A404 L405	M235-M401 HydrophobicContact CB-CE 3.56Å; M235-M401 HydrophobicContact CE-CB 4.31Å; M235-M401 HydrophobicContact CE-CE 3.89Å; M235-M401 HydrophobicContact CE-CG 4.46Å; M235-M401 WeakPolarHBondContact O-CE 3.29Å; L239-M401 HydrophobicContact CB-CE 4.32Å; L239-M401 HydrophobicContact CB-SD 3.78Å; L239-M401 HydrophobicContact CD1-SD 4.35Å; L239-M401 HydrophobicContact CD2-SD 3.55Å; L239-M401 VanDerWaalsContact CD2-SD 3.55Å; L239-M401 HydrophobicContact CG-SD 4.06Å; T302-M401 HydrophobicContact CG2-CE 4.35Å; E306-M401 WeakPolarHBondContact OE1-CG 3.25Å; F375-M401 HydrophobicContact CE1-CB 3.66Å; F375-M401 HydrophobicContact CE1-CE 3.91Å; F375-M401 HydrophobicContact CE1-SD 4.36Å; F375-M401 HydrophobicContact CZ-CB 4.21Å; F375-M401 HydrophobicContact CZ-CE 3.86Å; Q397-M401 WeakPolarHBondContact O-CG 3.37Å; Q397-M401 PolarHBondContact O-N 2.91Å; T398-M401 PolarHBondContact O-N 3.49Å; M401-T403 VanDerWaalsContact C-N 3.31Å; M401-T403 PolarHBondContact O-N 3.46Å; M401-A404 WeakPolarHBondContact O-CB 3.23Å; M401-A404 PolarHBondContact O-N 3.43Å; M401-L405 WeakPolarHBondContact O-CG 3.42Å; M401-L405 PolarHBondContact O-N 3.3Å
402	G	91.6	Very high	87.3	Confident	1 Å²	1	13.6 Å²	13.6	1%	0.01	7%	0.073	C	C	.	.	H	α-helix	trans	-61.4	-40.3	175.7	0	0	0	0	0	112.2	F163 T398 Q399 L405 K406	F163-G402 WeakPolarHBondContact CB-O 3.47Å; F163-G402 WeakPolarHBondContact CG-O 3.39Å; T398-G402 PolarHBondContact O-N 3.49Å; Q399-G402 PolarHBondContact O-N 3.22Å; G402-L405 PolarHBondContact O-N 3.45Å; G402-K406 WeakPolarHBondContact O-CB 3.36Å; G402-K406 PolarHBondContact O-N 2.88Å
403	T	92	Very high	85.2	Confident	3 Å²	3	15.4 Å²	15.4	2%	0.018	8%	0.084	C	C	.	.	H	α-helix	trans	-65.8	-39.9	174.4	-57	0	0	0	0	111.4	Q399 G400 M401 L405 K406 I407 L431 E435 L439	Q399-T403 VanDerWaalsContact O-CB 3.28Å; Q399-T403 WeakPolarHBondContact O-CB 3.24Å; Q399-T403 PolarHBondContact O-N 3.3Å; Q399-T403 PolarHBondContact O-OG1 2.88Å; G400-T403 PolarHBondContact O-N 2.95Å; M401-T403 VanDerWaalsContact C-N 3.31Å; M401-T403 PolarHBondContact O-N 3.46Å; T403-L405 VanDerWaalsContact C-N 3.33Å; T403-L405 PolarHBondContact O-N 3.42Å; T403-K406 WeakPolarHBondContact O-CB 3.41Å; T403-K406 PolarHBondContact O-N 3.08Å; T403-I407 HydrophobicContact CG2-CD1 4.18Å; T403-I407 WeakPolarHBondContact O-CD1 3.25Å; T403-I407 WeakPolarHBondContact O-CG1 3.49Å; T403-I407 PolarHBondContact O-N 2.93Å; T403-L431 HydrophobicContact CG2-CD1 4.3Å; T403-L431 HydrophobicContact CG2-CD2 3.94Å; T403-E435 HydrophobicContact CG2-CB 3.87Å; T403-L439 HydrophobicContact CG2-CB 4.11Å; T403-L439 HydrophobicContact CG2-CD2 4.3Å
404	A	92	Very high	82.6	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-60.1	-45.5	175.6	0	0	0	0	0	111.1	E306 A309 G400 M401 I407 L408 L439	E306-A404 HydrophobicContact CG-CB 3.93Å; A309-A404 HydrophobicContact CB-CB 3.6Å; A309-A404 WeakPolarHBondContact CB-O 3.25Å; G400-A404 WeakPolarHBondContact O-CB 3.41Å; G400-A404 PolarHBondContact O-N 3.34Å; M401-A404 WeakPolarHBondContact O-CB 3.23Å; M401-A404 PolarHBondContact O-N 3.43Å; A404-I407 WeakPolarHBondContact O-CB 3.02Å; A404-I407 PolarHBondContact O-N 2.96Å; A404-L408 VanDerWaalsContact O-CG 3.25Å; A404-L408 WeakPolarHBondContact O-CG 3.47Å; A404-L408 PolarHBondContact O-N 2.84Å; A404-L439 HydrophobicContact CB-CD1 3.9Å
405	L	88.2	Confident	79.9	Confident	2 Å²	2	29.7 Å²	29.7	1%	0.01	14%	0.139	C	C	.	.	H	α-helix	trans	-65.2	-43.5	175.9	-68.9	170.4	0	0	0	112.3	F163 M235 F371 F375 M401 G402 T403 I407 L408 F409	F163-L405 HydrophobicContact CD1-CB 4.01Å; F163-L405 HydrophobicContact CD1-CD1 4.38Å; F163-L405 HydrophobicContact CE1-CB 3.81Å; F163-L405 HydrophobicContact CE1-CD1 4.44Å; F163-L405 HydrophobicContact CZ-CB 4.25Å; M235-L405 HydrophobicContact CE-CD1 4.31Å; M235-L405 HydrophobicContact CE-CD2 4.25Å; M235-L405 HydrophobicContact CE-CG 4.19Å; M235-L405 HydrophobicContact SD-CD1 4.33Å; M235-L405 HydrophobicContact SD-CD2 3.97Å; M235-L405 HydrophobicContact SD-CG 4.4Å; F371-L405 HydrophobicContact CD1-CD1 3.93Å; F371-L405 HydrophobicContact CD1-CD2 4.31Å; F375-L405 HydrophobicContact CD2-CD1 3.54Å; F375-L405 HydrophobicContact CE1-CD1 4.46Å; F375-L405 HydrophobicContact CE2-CD1 3.12Å; F375-L405 HydrophobicContact CG-CD1 4.38Å; F375-L405 HydrophobicContact CZ-CD1 3.65Å; M401-L405 WeakPolarHBondContact O-CG 3.42Å; M401-L405 PolarHBondContact O-N 3.3Å; G402-L405 PolarHBondContact O-N 3.45Å; T403-L405 VanDerWaalsContact C-N 3.33Å; T403-L405 PolarHBondContact O-N 3.42Å; L405-I407 PolarHBondContact O-N 2.84Å; L405-L408 PolarHBondContact O-N 3.05Å; L405-L408 VanDerWaalsContact O-N 3.09Å; L405-F409 HydrophobicContact CB-CD2 4.05Å; L405-F409 HydrophobicContact CB-CE2 3.92Å; L405-F409 HydrophobicContact CD2-CE2 3.94Å; L405-F409 HydrophobicContact CD2-CZ 4.4Å; L405-F409 HydrophobicContact CG-CE2 4.43Å; L405-F409 WeakPolarHBondContact O-CB 3.36Å; L405-F409 WeakPolarHBondContact O-CD2 3.48Å; L405-F409 WeakPolarHBondContact O-CG 3.32Å; L405-F409 PolarHBondContact O-N 3.06Å
406	K	86	Confident	77.2	Confident	14 Å²	14	37.3 Å²	37.3	6%	0.061	18%	0.175	C	C	.	.	H	α-helix	trans	-50.7	-45	172.5	-177.3	-175.3	-177.4	-177.9	0	111.7	L161 F163 G402 T403 S410 F429 Q430 L431 E435	L161-K406 HydrophobicContact CB-CD 4.45Å; L161-K406 HydrophobicContact CB-CG 4.22Å; L161-K406 WeakPolarHBondContact O-CD 3.28Å; L161-K406 WeakPolarHBondContact O-CE 3.35Å; L161-K406 VanDerWaalsContact O-CG 3.28Å; L161-K406 WeakPolarHBondContact O-CG 3.3Å; F163-K406 HydrophobicContact CD2-CB 3.68Å; F163-K406 HydrophobicContact CD2-CG 4.36Å; F163-K406 HydrophobicContact CE2-CB 3.93Å; G402-K406 WeakPolarHBondContact O-CB 3.36Å; G402-K406 PolarHBondContact O-N 2.88Å; T403-K406 WeakPolarHBondContact O-CB 3.41Å; T403-K406 PolarHBondContact O-N 3.08Å; K406-S410 PolarHBondContact O-N 3.11Å; K406-F429 HydrophobicContact CG-CE2 4.4Å; K406-Q430 PolarHBondContact NZ-O 2.97Å; K406-L431 HydrophobicContact CD-CD2 3.89Å; K406-E435 IonicContact NZ-OE1 2.73Å; K406-E435 PolarHBondContact NZ-OE1 2.95Å; K406-E435 IonicContact NZ-OE2 2.76Å; K406-E435 PolarHBondContact NZ-OE2 3.07Å
407	I	86.8	Confident	74.4	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-66.3	-49.9	176	-68.8	157.6	0	0	0	111.2	A309 K312 A313 T403 A404 L405 F409 S410 F429 L431 L439	A309-I407 HydrophobicContact CB-CB 4.23Å; A309-I407 HydrophobicContact CB-CD1 4.28Å; A309-I407 HydrophobicContact CB-CG2 4.26Å; A309-I407 WeakPolarHBondContact O-CG2 3.48Å; K312-I407 HydrophobicContact CB-CG2 4.01Å; K312-I407 HydrophobicContact CD-CG2 4.23Å; K312-I407 WeakPolarHBondContact CE-O 3.49Å; K312-I407 HydrophobicContact CG-CG2 4.07Å; A313-I407 HydrophobicContact CB-CD1 3.8Å; A313-I407 HydrophobicContact CB-CG1 4.05Å; A313-I407 HydrophobicContact CB-CG2 3.78Å; T403-I407 HydrophobicContact CG2-CD1 4.18Å; T403-I407 WeakPolarHBondContact O-CD1 3.25Å; T403-I407 WeakPolarHBondContact O-CG1 3.49Å; T403-I407 PolarHBondContact O-N 2.93Å; A404-I407 WeakPolarHBondContact O-CB 3.02Å; A404-I407 PolarHBondContact O-N 2.96Å; L405-I407 PolarHBondContact O-N 2.84Å; I407-F409 PolarHBondContact O-N 3.42Å; I407-S410 PolarHBondContact O-N 2.82Å; I407-S410 VanDerWaalsContact O-N 3.16Å; I407-S410 PolarHBondContact O-OG 3.37Å; I407-F429 HydrophobicContact CB-CZ 4.47Å; I407-F429 HydrophobicContact CG1-CE2 4.3Å; I407-F429 HydrophobicContact CG1-CZ 3.64Å; I407-L431 HydrophobicContact CD1-CD1 4.09Å; I407-L431 HydrophobicContact CG1-CD1 4.3Å; I407-L439 HydrophobicContact CD1-CD2 3.46Å; I407-L439 VanDerWaalsContact CD1-CD2 3.46Å
408	L	84.3	Confident	71.6	Confident	10 Å²	10	47.7 Å²	47.7	5%	0.052	24%	0.236	C	C	.	.	H	α-helix	trans	-61.1	-36.5	-175.9	-69.8	172.3	0	0	0	112	V305 R308 A309 K312 A404 L405	V305-L408 HydrophobicContact CG1-CD1 3.62Å; R308-L408 HydrophobicContact CB-CD2 4.09Å; R308-L408 HydrophobicContact CG-CD2 3.49Å; R308-L408 VanDerWaalsContact CG-CD2 3.49Å; A309-L408 HydrophobicContact CB-CD1 4.44Å; A309-L408 HydrophobicContact CB-CD2 4.31Å; A309-L408 HydrophobicContact CB-CG 4.04Å; K312-L408 HydrophobicContact CD-CD2 4.44Å; K312-L408 PolarHBondContact NZ-O 3.21Å; A404-L408 VanDerWaalsContact O-CG 3.25Å; A404-L408 WeakPolarHBondContact O-CG 3.47Å; A404-L408 PolarHBondContact O-N 2.84Å; L405-L408 PolarHBondContact O-N 3.05Å; L405-L408 VanDerWaalsContact O-N 3.09Å
409	F	77.9	Confident	69.1	Low	18 Å²	18	54.5 Å²	54.5	8%	0.079	27%	0.272	C	S	.	.	H	α-helix	trans	-84.2	-9.5	179.3	-66.6	-51.9	0	0	0	115.3	F163 F357 K368 F371 L405 I407 D411	F163-F409 HydrophobicContact CE1-CD2 4.05Å; F163-F409 HydrophobicContact CE1-CE2 4.03Å; F163-F409 HydrophobicContact CE2-CD2 4.43Å; F163-F409 AromaticContact CZ-CD2 3.51Å; F163-F409 HydrophobicContact CZ-CD2 3.51Å; F163-F409 AromaticContact CZ-CE2 3.96Å; F163-F409 HydrophobicContact CZ-CE2 3.96Å; F357-F409 AromaticContact CD1-CE1 3.56Å; F357-F409 HydrophobicContact CD1-CE1 3.56Å; F357-F409 HydrophobicContact CD1-CZ 4.09Å; F357-F409 HydrophobicContact CD2-CD1 4.4Å; F357-F409 AromaticContact CD2-CE1 3.82Å; F357-F409 HydrophobicContact CD2-CE1 3.82Å; F357-F409 AromaticContact CE1-CE1 3.29Å; F357-F409 HydrophobicContact CE1-CE1 3.29Å; F357-F409 AromaticContact CE1-CZ 3.37Å; F357-F409 HydrophobicContact CE1-CZ 3.37Å; F357-F409 HydrophobicContact CE2-CD1 4.28Å; F357-F409 AromaticContact CE2-CE1 3.55Å; F357-F409 HydrophobicContact CE2-CE1 3.55Å; F357-F409 HydrophobicContact CE2-CZ 4Å; F357-F409 AromaticContact CG-CE1 3.82Å; F357-F409 HydrophobicContact CG-CE1 3.82Å; F357-F409 HydrophobicContact CZ-CD1 4.37Å; F357-F409 AromaticContact CZ-CE1 3.28Å; F357-F409 HydrophobicContact CZ-CE1 3.28Å; F357-F409 HydrophobicContact CZ-CE2 4.41Å; F357-F409 AromaticContact CZ-CZ 3.31Å; F357-F409 HydrophobicContact CZ-CZ 3.31Å; K368-F409 HydrophobicContact CD-CB 4.1Å; K368-F409 HydrophobicContact CD-CD1 3.99Å; K368-F409 HydrophobicContact CD-CG 4.18Å; K368-F409 HydrophobicContact CG-CB 4.18Å; K368-F409 HydrophobicContact CG-CD1 3.45Å; K368-F409 VanDerWaalsContact CG-CD1 3.45Å; K368-F409 HydrophobicContact CG-CD2 4.25Å; K368-F409 HydrophobicContact CG-CE1 3.68Å; K368-F409 HydrophobicContact CG-CE2 4.47Å; K368-F409 HydrophobicContact CG-CG 3.73Å; K368-F409 HydrophobicContact CG-CZ 4.19Å; K368-F409 PolarHBondContact NZ-O 3.24Å; K368-F409 VanDerWaalsContact NZ-O 3.14Å; F371-F409 HydrophobicContact CB-CE2 4.38Å; L405-F409 HydrophobicContact CB-CD2 4.05Å; L405-F409 HydrophobicContact CB-CE2 3.92Å; L405-F409 HydrophobicContact CD2-CE2 3.94Å; L405-F409 HydrophobicContact CD2-CZ 4.4Å; L405-F409 HydrophobicContact CG-CE2 4.43Å; L405-F409 WeakPolarHBondContact O-CB 3.36Å; L405-F409 WeakPolarHBondContact O-CD2 3.48Å; L405-F409 WeakPolarHBondContact O-CG 3.32Å; L405-F409 PolarHBondContact O-N 3.06Å; I407-F409 PolarHBondContact O-N 3.42Å; F409-D411 PolarHBondContact O-N 3.11Å
410	S	74.6	Confident	66.6	Low	5 Å²	5	58.4 Å²	58.4	4%	0.035	29%	0.293	C	S	.	.			trans	-71.7	122.6	174.4	67.9	0	0	0	0	110.7	K312 K406 I407 T412 V413	K312-S410 WeakPolarHBondContact CE-O 3.36Å; K312-S410 PolarHBondContact NZ-O 2.83Å; K406-S410 PolarHBondContact O-N 3.11Å; I407-S410 PolarHBondContact O-N 2.82Å; I407-S410 VanDerWaalsContact O-N 3.16Å; I407-S410 PolarHBondContact O-OG 3.37Å; S410-T412 VanDerWaalsContact C-N 3.3Å; S410-V413 VanDerWaalsContact OG-CG2 3.23Å; S410-V413 WeakPolarHBondContact OG-CG2 3.45Å
411	D	63.1	Low	63.8	Low	118 Å²	118	67 Å²	67	63%	0.631	33%	0.334	S	S	*	.	S	Bend	trans	-75.6	-25.1	177.8	-63.1	-38.6	0	0	0	111.4	K368 F409	K368-D411 IonicContact NZ-OD1 3.9Å; K368-D411 IonicContact NZ-OD2 3.38Å; F409-D411 PolarHBondContact O-N 3.11Å
412	T	49.5	Very low	61.1	Low	49 Å²	49	71.5 Å²	71.5	30%	0.301	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-80	-20.1	-166.5	43.4	0	0	0	0	115.2	S410 R414 K415	S410-T412 VanDerWaalsContact C-N 3.3Å; T412-R414 PolarHBondContact O-N 3.32Å; T412-K415 PolarHBondContact O-N 3.26Å
413	V	46.9	Very low	58.6	Low	37 Å²	37	74.2 Å²	74.2	22%	0.224	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-67.2	-12.5	-178	-175.6	0	0	0	0	112.3	K312 S410 F429	K312-V413 HydrophobicContact CG-CB 4.27Å; K312-V413 HydrophobicContact CG-CG1 4.07Å; K312-V413 WeakPolarHBondContact O-CG1 3.46Å; S410-V413 VanDerWaalsContact OG-CG2 3.23Å; S410-V413 WeakPolarHBondContact OG-CG2 3.45Å; V413-F429 HydrophobicContact CG2-CD1 4.14Å; V413-F429 HydrophobicContact CG2-CE1 4.38Å; V413-F429 HydrophobicContact CG2-CG 4.27Å
414	R	41.6	Very low	55.9	Low	202 Å²	202	80.1 Å²	80.1	76%	0.762	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-107.9	0.2	-177.6	-148.2	178.4	72.5	96.7	-1.7	115.4	T412 E416	T412-R414 PolarHBondContact O-N 3.32Å; R414-E416 PolarHBondContact O-N 2.93Å
415	K	38.1	Very low	53.5	Low	116 Å²	116	84.9 Å²	84.9	50%	0.504	46%	0.46	S	S	.	.			trans	-76.6	73.4	-179.9	-72.6	-168.2	178.9	-177.7	0	111.2	T412	T412-K415 PolarHBondContact O-N 3.26Å
416	E	38.3	Very low	51.3	Low	176 Å²	176	91 Å²	91	82%	0.822	49%	0.488	S	S	*	.			trans	-96.1	2.5	160.3	-77.8	-171	169.7	0	0	112.3	R414 P418	R414-E416 PolarHBondContact O-N 2.93Å; E416-P418 WeakPolarHBondContact O-CD 3.21Å
417	N	35.3	Very low	49.4	Very low	113 Å²	113	95.1 Å²	95.1	60%	0.604	52%	0.516	S	S	*	.			trans	-84.1	107	177.7	-148.8	2.6	0	0	0	109.5	L419	N417-L419 PolarHBondContact O-N 3.41Å; N417-L419 VanDerWaalsContact O-N 3.1Å
418	P	38.3	Very low	48.1	Very low	108 Å²	108	102.1 Å²	102.1	70%	0.701	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	0.4	-171.6	-12.2	30.5	0	0	0	113.7	E416	E416-P418 WeakPolarHBondContact O-CD 3.21Å
419	L	43.2	Very low	47.6	Very low	147 Å²	147	102.7 Å²	102.7	77%	0.77	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	-11.1	-174.6	-84.6	147.2	0	0	0	114.2	N417 Q421	N417-L419 PolarHBondContact O-N 3.41Å; N417-L419 VanDerWaalsContact O-N 3.1Å; L419-Q421 VanDerWaalsContact C-N 3.34Å; L419-Q421 PolarHBondContact O-N 2.83Å; L419-Q421 VanDerWaalsContact O-N 3.14Å
420	D	39.8	Very low	47.7	Very low	106 Å²	106	107 Å²	107	57%	0.567	58%	0.577	S	S	*	*			trans	-86.7	75.9	170.1	-92.7	-18.9	0	0	0	110.3	S422	D420-S422 PolarHBondContact O-N 3.29Å
421	Q	38.5	Very low	48.3	Very low	180 Å²	180	107 Å²	107	84%	0.841	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.1	6.4	172	-69	-179.4	24.6	0	0	113.2	L419	L419-Q421 VanDerWaalsContact C-N 3.34Å; L419-Q421 PolarHBondContact O-N 2.83Å; L419-Q421 VanDerWaalsContact O-N 3.14Å
422	S	37.8	Very low	49.4	Very low	97 Å²	97	105.8 Å²	105.8	68%	0.678	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.5	5.6	-170	58.2	0	0	0	0	115.1	D420	D420-S422 PolarHBondContact O-N 3.29Å
423	S	37.7	Very low	51.2	Low	58 Å²	58	106.4 Å²	106.4	41%	0.406	56%	0.559	S	S	.	*	S	Bend	trans	-128.9	102.3	173.1	-47.4	0	0	0	0	109.9	A425	S423-A425 PolarHBondContact O-N 2.9Å
424	T	36.8	Very low	53.2	Low	126 Å²	126	106 Å²	106	77%	0.773	56%	0.557	S	S	*	*			trans	-20.9	119.7	149.6	47.2	0	0	0	0	110.4	E426	T424-E426 VanDerWaalsContact C-N 3.32Å; T424-E426 PolarHBondContact O-N 3.25Å
425	A	40.6	Very low	55.6	Low	101 Å²	101	96.7 Å²	96.7	84%	0.835	52%	0.522	S	S	*	.			trans	-46.1	94.8	-178.7	0	0	0	0	0	110.9	S423	S423-A425 PolarHBondContact O-N 2.9Å
426	E	41.8	Very low	58.2	Low	129 Å²	129	91.3 Å²	91.3	60%	0.603	50%	0.499	S	S	*	.			trans	-64.5	154.9	175.6	-91.7	-165.1	179.4	0	0	109.9	T424 N428	T424-E426 VanDerWaalsContact C-N 3.32Å; T424-E426 PolarHBondContact O-N 3.25Å; E426-N428 PolarHBondContact O-N 3.23Å
427	P	46.7	Very low	60.9	Low	101 Å²	101	83 Å²	83	66%	0.656	46%	0.46	S	S	*	.			trans	-58.5	128.2	-149.7	23.7	-32.6	0	0	0	110.6	F429	P427-F429 PolarHBondContact O-N 3.35Å
428	N	59.5	Low	63.8	Low	147 Å²	147	77.6 Å²	77.6	79%	0.786	43%	0.431	S	S	*	.			trans	-37.9	106	178.8	-74.4	-25.9	0	0	0	110.5	E426 Q430	E426-N428 PolarHBondContact O-N 3.23Å; N428-Q430 PolarHBondContact O-N 3.41Å
429	F	72.9	Confident	66.6	Low	22 Å²	22	72.4 Å²	72.4	10%	0.096	40%	0.398	C	S	.	.			trans	-52.5	114.6	170.9	170.4	-91.9	0	0	0	107.9	Y316 K406 I407 V413 P427 L431	Y316-F429 HydrophobicContact CD1-CE1 4.05Å; Y316-F429 HydrophobicContact CD2-CD1 4.01Å; Y316-F429 HydrophobicContact CD2-CE1 4.3Å; Y316-F429 HydrophobicContact CE1-CE1 4.3Å; Y316-F429 HydrophobicContact CE2-CD1 4.24Å; Y316-F429 VanDerWaalsContact CE2-O 3.28Å; Y316-F429 WeakPolarHBondContact CE2-O 3.38Å; Y316-F429 HydrophobicContact CG-CD1 4.18Å; Y316-F429 HydrophobicContact CG-CE1 4.06Å; K406-F429 HydrophobicContact CG-CE2 4.4Å; I407-F429 HydrophobicContact CB-CZ 4.47Å; I407-F429 HydrophobicContact CG1-CE2 4.3Å; I407-F429 HydrophobicContact CG1-CZ 3.64Å; V413-F429 HydrophobicContact CG2-CD1 4.14Å; V413-F429 HydrophobicContact CG2-CE1 4.38Å; V413-F429 HydrophobicContact CG2-CG 4.27Å; P427-F429 PolarHBondContact O-N 3.35Å; F429-L431 HydrophobicContact CE1-CD1 4.22Å; F429-L431 HydrophobicContact CE1-CD2 4.33Å; F429-L431 HydrophobicContact CE1-CG 3.91Å; F429-L431 HydrophobicContact CE2-CD2 4.24Å; F429-L431 HydrophobicContact CZ-CD1 4.07Å; F429-L431 HydrophobicContact CZ-CD2 3.66Å; F429-L431 HydrophobicContact CZ-CG 3.73Å
430	Q	80.6	Confident	69.2	Low	110 Å²	110	65.4 Å²	65.4	51%	0.514	36%	0.361	S	S	.	.			trans	-135.3	133.3	-175.6	-175.7	63.3	17.6	0	0	109.2	Y316 K406 N428	Y316-Q430 PolarHBondContact OH-NE2 3.4Å; Y316-Q430 PolarHBondContact OH-OE1 2.9Å; K406-Q430 PolarHBondContact NZ-O 2.97Å; N428-Q430 PolarHBondContact O-N 3.41Å
431	L	87.1	Confident	72	Confident	4 Å²	4	60.6 Å²	60.6	2%	0.021	34%	0.335	C	S	.	.			trans	-102.2	140.2	171.4	-61.9	178.8	0	0	0	109.6	Y316 L317 T403 K406 I407 F429 E435 I436	Y316-L431 HydrophobicContact CD1-CD1 4.32Å; Y316-L431 HydrophobicContact CE1-CB 3.98Å; Y316-L431 HydrophobicContact CE1-CD1 3.95Å; Y316-L431 HydrophobicContact CE1-CG 3.94Å; Y316-L431 PolarHBondContact OH-N 3.23Å; L317-L431 HydrophobicContact CD2-CD1 4.49Å; T403-L431 HydrophobicContact CG2-CD1 4.3Å; T403-L431 HydrophobicContact CG2-CD2 3.94Å; K406-L431 HydrophobicContact CD-CD2 3.89Å; I407-L431 HydrophobicContact CD1-CD1 4.09Å; I407-L431 HydrophobicContact CG1-CD1 4.3Å; F429-L431 HydrophobicContact CE1-CD1 4.22Å; F429-L431 HydrophobicContact CE1-CD2 4.33Å; F429-L431 HydrophobicContact CE1-CG 3.91Å; F429-L431 HydrophobicContact CE2-CD2 4.24Å; F429-L431 HydrophobicContact CZ-CD1 4.07Å; F429-L431 HydrophobicContact CZ-CD2 3.66Å; F429-L431 HydrophobicContact CZ-CG 3.73Å; L431-E435 VanDerWaalsContact CA-OE2 3.26Å; L431-E435 WeakPolarHBondContact CA-OE2 3.26Å; L431-E435 HydrophobicContact CB-CB 4.37Å; L431-E435 HydrophobicContact CD2-CB 4.44Å; L431-I436 HydrophobicContact CB-CD1 4.22Å; L431-I436 HydrophobicContact CB-CG1 3.77Å; L431-I436 HydrophobicContact CD1-CG1 4.21Å
432	R	87.5	Confident	74.9	Confident	92 Å²	92	52.1 Å²	52.1	35%	0.347	30%	0.296	S	S	.	.			trans	-74.7	160.3	169.5	-68.8	175.1	-70.4	-172.6	-1.7	110.3	T434 E435 I436	R432-T434 VanDerWaalsContact C-N 3.29Å; R432-T434 PolarHBondContact O-N 3.19Å; R432-E435 HydrophobicContact CB-CB 4.46Å; R432-E435 HydrophobicContact CB-CG 4.15Å; R432-E435 IonicContact CZ-OE1 3.97Å; R432-E435 PolarHBondContact N-OE2 3.29Å; R432-E435 IonicContact NE-OE1 3.19Å; R432-E435 PolarHBondContact NE-OE1 2.62Å; R432-E435 IonicContact NE-OE2 2.75Å; R432-E435 IonicContact NH2-OE1 2.64Å; R432-E435 PolarHBondContact NH2-OE1 2.92Å; R432-E435 WeakPolarHBondContact O-CB 3.32Å; R432-E435 PolarHBondContact O-N 3.3Å; R432-E435 VanDerWaalsContact O-N 3.14Å; R432-I436 WeakPolarHBondContact O-CG1 3.37Å; R432-I436 PolarHBondContact O-N 3.23Å
433	R	85.5	Confident	77.8	Confident	62 Å²	62	47.5 Å²	47.5	23%	0.234	26%	0.264	C	S	.	.	H	α-helix	trans	-51.5	-50.2	174.4	-177	-173.3	-177.2	92.1	4.3	111.2	F66 F323 E435 I436 I437	F66-R433 HydrophobicContact CE2-CG 4.04Å; F66-R433 HydrophobicContact CZ-CG 3.84Å; F66-R433 PolarHBondContact O-NH2 2.97Å; F323-R433 PolarHBondContact O-NH1 3.45Å; R433-E435 VanDerWaalsContact C-N 3.33Å; R433-E435 PolarHBondContact O-N 3.14Å; R433-I436 PolarHBondContact O-N 2.91Å; R433-I437 HydrophobicContact CG-CD1 3.73Å; R433-I437 HydrophobicContact CG-CG1 4.37Å; R433-I437 VanDerWaalsContact O-CG1 3.29Å; R433-I437 WeakPolarHBondContact O-CG1 3.33Å; R433-I437 PolarHBondContact O-N 3.43Å
434	T	89.3	Confident	80.6	Confident	29 Å²	29	44.7 Å²	44.7	18%	0.178	24%	0.244	C	C	.	.	H	α-helix	trans	-61.4	-38.4	-179.6	51.5	0	0	0	0	112.4	F70 Q399 R432 I437 S438	F70-T434 HydrophobicContact CE2-CG2 4.47Å; Q399-T434 VanDerWaalsContact NE2-C 3.33Å; Q399-T434 PolarHBondContact NE2-O 3.31Å; Q399-T434 VanDerWaalsContact NE2-O 3.12Å; R432-T434 VanDerWaalsContact C-N 3.29Å; R432-T434 PolarHBondContact O-N 3.19Å; T434-I437 PolarHBondContact O-N 2.76Å; T434-S438 VanDerWaalsContact O-CB 3.25Å; T434-S438 WeakPolarHBondContact O-CB 3.38Å; T434-S438 PolarHBondContact O-N 2.03Å; T434-S438 PolarHBondContact O-OG 3.11Å
435	E	91.5	Very high	83.6	Confident	6 Å²	6	40.7 Å²	40.7	3%	0.028	22%	0.215	C	C	.	.	H	α-helix	trans	-63.3	-44.6	175.1	-68.2	176	156.1	0	0	111.6	T403 K406 L431 R432 R433 S438 L439	T403-E435 HydrophobicContact CG2-CB 3.87Å; K406-E435 IonicContact NZ-OE1 2.73Å; K406-E435 PolarHBondContact NZ-OE1 2.95Å; K406-E435 IonicContact NZ-OE2 2.76Å; K406-E435 PolarHBondContact NZ-OE2 3.07Å; L431-E435 VanDerWaalsContact CA-OE2 3.26Å; L431-E435 WeakPolarHBondContact CA-OE2 3.26Å; L431-E435 HydrophobicContact CB-CB 4.37Å; L431-E435 HydrophobicContact CD2-CB 4.44Å; R432-E435 HydrophobicContact CB-CB 4.46Å; R432-E435 HydrophobicContact CB-CG 4.15Å; R432-E435 IonicContact CZ-OE1 3.97Å; R432-E435 PolarHBondContact N-OE2 3.29Å; R432-E435 IonicContact NE-OE1 3.19Å; R432-E435 PolarHBondContact NE-OE1 2.62Å; R432-E435 IonicContact NE-OE2 2.75Å; R432-E435 IonicContact NH2-OE1 2.64Å; R432-E435 PolarHBondContact NH2-OE1 2.92Å; R432-E435 WeakPolarHBondContact O-CB 3.32Å; R432-E435 PolarHBondContact O-N 3.3Å; R432-E435 VanDerWaalsContact O-N 3.14Å; R433-E435 VanDerWaalsContact C-N 3.33Å; R433-E435 PolarHBondContact O-N 3.14Å; E435-S438 PolarHBondContact O-N 3.29Å; E435-L439 VanDerWaalsContact O-CB 3.3Å; E435-L439 WeakPolarHBondContact O-CB 3.45Å; E435-L439 PolarHBondContact O-N 3.09Å
436	I	93.5	Very high	86.3	Confident	3 Å²	3	36.1 Å²	36.1	2%	0.015	18%	0.176	C	C	.	.	H	α-helix	trans	-63.9	-47.2	176.8	-61.5	171.7	0	0	0	110.4	F66 F67 L317 Q320 Y322 L431 R432 R433 S438 L439 F440	F66-I436 HydrophobicContact CE1-CB 4.26Å; F66-I436 HydrophobicContact CE1-CG2 3.81Å; F66-I436 HydrophobicContact CZ-CG2 4.4Å; F67-I436 HydrophobicContact CE1-CG2 4.05Å; L317-I436 HydrophobicContact CD2-CD1 4.5Å; L317-I436 HydrophobicContact CD2-CG1 4.29Å; L317-I436 HydrophobicContact CD2-CG2 4.25Å; Q320-I436 HydrophobicContact CG-CD1 4.19Å; Y322-I436 HydrophobicContact CE1-CG2 4.14Å; L431-I436 HydrophobicContact CB-CD1 4.22Å; L431-I436 HydrophobicContact CB-CG1 3.77Å; L431-I436 HydrophobicContact CD1-CG1 4.21Å; R432-I436 WeakPolarHBondContact O-CG1 3.37Å; R432-I436 PolarHBondContact O-N 3.23Å; R433-I436 PolarHBondContact O-N 2.91Å; I436-S438 PolarHBondContact O-N 2.96Å; I436-L439 PolarHBondContact O-N 2.66Å; I436-F440 HydrophobicContact CG2-CD2 4.08Å; I436-F440 HydrophobicContact CG2-CE2 4.1Å; I436-F440 WeakPolarHBondContact O-CD2 3Å; I436-F440 PolarHBondContact O-N 3.1Å; I436-F440 VanDerWaalsContact O-N 3.14Å
437	I	94.1	Very high	89	Confident	1 Å²	1	30 Å²	30	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-59.3	-48.3	178.8	-67.1	171.9	0	0	0	110.6	F66 F67 Y69 F70 R433 T434 F440 N441	F66-I437 HydrophobicContact CD1-CG1 4.2Å; F66-I437 HydrophobicContact CE1-CG1 3.92Å; F66-I437 WeakPolarHBondContact O-CD1 2.99Å; F66-I437 VanDerWaalsContact O-CG1 3.24Å; F66-I437 WeakPolarHBondContact O-CG1 3.04Å; F67-I437 WeakPolarHBondContact O-CG2 3.35Å; Y69-I437 WeakPolarHBondContact O-CD1 3.25Å; F70-I437 HydrophobicContact CD2-CB 4.35Å; F70-I437 HydrophobicContact CD2-CG2 3.75Å; F70-I437 HydrophobicContact CE2-CG2 4.5Å; R433-I437 HydrophobicContact CG-CD1 3.73Å; R433-I437 HydrophobicContact CG-CG1 4.37Å; R433-I437 VanDerWaalsContact O-CG1 3.29Å; R433-I437 WeakPolarHBondContact O-CG1 3.33Å; R433-I437 PolarHBondContact O-N 3.43Å; T434-I437 PolarHBondContact O-N 2.76Å; I437-F440 PolarHBondContact O-N 3.33Å; I437-N441 WeakPolarHBondContact CG2-ND2 3.49Å; I437-N441 WeakPolarHBondContact O-CB 3.28Å; I437-N441 PolarHBondContact O-N 2.7Å; I437-N441 PolarHBondContact O-ND2 2.97Å
438	S	96.8	Very high	91.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-63	-42.3	179.7	-69.9	0	0	0	0	112.3	F70 L396 Q399 T434 E435 I436 N441 A442	F70-S438 WeakPolarHBondContact CE2-OG 3.37Å; L396-S438 WeakPolarHBondContact O-CB 3.35Å; Q399-S438 PolarHBondContact NE2-OG 3.02Å; T434-S438 VanDerWaalsContact O-CB 3.25Å; T434-S438 WeakPolarHBondContact O-CB 3.38Å; T434-S438 PolarHBondContact O-N 2.03Å; T434-S438 PolarHBondContact O-OG 3.11Å; E435-S438 PolarHBondContact O-N 3.29Å; I436-S438 PolarHBondContact O-N 2.96Å; S438-N441 PolarHBondContact O-N 2.94Å; S438-A442 WeakPolarHBondContact O-CB 2.93Å; S438-A442 PolarHBondContact O-N 2.93Å
439	L	97.6	Very high	93.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-59.5	-48.9	177.9	179.8	65.6	0	0	0	112	L310 T403 A404 I407 E435 I436 F443	L310-L439 HydrophobicContact CD2-CD2 3.69Å; L310-L439 HydrophobicContact CD2-CG 3.86Å; L310-L439 HydrophobicContact CG-CD2 4.31Å; L310-L439 HydrophobicContact CG-CG 4.26Å; T403-L439 HydrophobicContact CG2-CB 4.11Å; T403-L439 HydrophobicContact CG2-CD2 4.3Å; A404-L439 HydrophobicContact CB-CD1 3.9Å; I407-L439 HydrophobicContact CD1-CD2 3.46Å; I407-L439 VanDerWaalsContact CD1-CD2 3.46Å; E435-L439 VanDerWaalsContact O-CB 3.3Å; E435-L439 WeakPolarHBondContact O-CB 3.45Å; E435-L439 PolarHBondContact O-N 3.09Å; I436-L439 PolarHBondContact O-N 2.66Å; L439-F443 VanDerWaalsContact O-CB 3.31Å; L439-F443 WeakPolarHBondContact O-CB 3.25Å; L439-F443 PolarHBondContact O-N 3.5Å; L439-F443 VanDerWaalsContact O-N 3.1Å
440	F	98.5	Very high	94.2	Very high	0 Å²	0	18 Å²	18	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-68.8	-40.2	-179.8	-84	-103.4	0	0	0	112.2	I58 I61 L62 F67 L310 L317 V337 F340 L341 I436 I437 G444	I58-F440 HydrophobicContact CD1-CB 4.44Å; I58-F440 HydrophobicContact CD1-CD1 3.7Å; I61-F440 HydrophobicContact CD1-CE1 4.26Å; I61-F440 HydrophobicContact CG2-CD1 3.78Å; I61-F440 HydrophobicContact CG2-CE1 4.17Å; L62-F440 HydrophobicContact CD2-CB 4.12Å; F67-F440 HydrophobicContact CD1-CB 3.73Å; F67-F440 HydrophobicContact CD1-CD2 4.39Å; F67-F440 AromaticContact CD1-CG 3.98Å; F67-F440 HydrophobicContact CD1-CG 3.98Å; F67-F440 HydrophobicContact CE1-CB 3.75Å; F67-F440 AromaticContact CE1-CD1 3.91Å; F67-F440 HydrophobicContact CE1-CD1 3.91Å; F67-F440 AromaticContact CE1-CD2 3.57Å; F67-F440 HydrophobicContact CE1-CD2 3.57Å; F67-F440 HydrophobicContact CE1-CE1 4.38Å; F67-F440 HydrophobicContact CE1-CE2 4.07Å; F67-F440 AromaticContact CE1-CG 3.46Å; F67-F440 HydrophobicContact CE1-CG 3.46Å; F67-F440 VanDerWaalsContact CE1-CG 3.46Å; F67-F440 HydrophobicContact CE1-CZ 4.45Å; F67-F440 HydrophobicContact CZ-CD1 4.22Å; F67-F440 HydrophobicContact CZ-CD2 4.31Å; F67-F440 HydrophobicContact CZ-CE1 4.34Å; F67-F440 HydrophobicContact CZ-CE2 4.4Å; F67-F440 HydrophobicContact CZ-CG 4.2Å; F67-F440 HydrophobicContact CZ-CZ 4.42Å; L310-F440 HydrophobicContact CD2-CD2 4.08Å; L310-F440 HydrophobicContact CD2-CE1 4.36Å; L310-F440 HydrophobicContact CD2-CE2 3.78Å; L310-F440 HydrophobicContact CD2-CZ 3.94Å; L317-F440 HydrophobicContact CD1-CE2 3.93Å; L317-F440 HydrophobicContact CD1-CZ 4.17Å; L317-F440 HydrophobicContact CD2-CE2 4.23Å; V337-F440 HydrophobicContact CG1-CE1 4.21Å; V337-F440 HydrophobicContact CG1-CZ 3.9Å; F340-F440 AromaticContact CD1-CE1 3.92Å; F340-F440 HydrophobicContact CD1-CE1 3.92Å; F340-F440 HydrophobicContact CE1-CD1 4.3Å; F340-F440 AromaticContact CE1-CE1 3.78Å; F340-F440 HydrophobicContact CE1-CE1 3.78Å; L341-F440 HydrophobicContact CD2-CZ 4.46Å; I436-F440 HydrophobicContact CG2-CD2 4.08Å; I436-F440 HydrophobicContact CG2-CE2 4.1Å; I436-F440 WeakPolarHBondContact O-CD2 3Å; I436-F440 PolarHBondContact O-N 3.1Å; I436-F440 VanDerWaalsContact O-N 3.14Å; I437-F440 PolarHBondContact O-N 3.33Å; F440-G444 PolarHBondContact O-N 3.21Å
441	N	98.3	Very high	94.9	Very high	4 Å²	4	13.3 Å²	13.3	2%	0.021	6%	0.061	C	C	.	.	H	α-helix	trans	-69.4	-44.1	179.2	-84	-82.6	0	0	0	112.3	L62 F67 W393 L396 I437 S438 F443 G444 R445	L62-N441 HydrophobicContact CD2-CB 4.38Å; F67-N441 PolarHBondContact O-ND2 3.45Å; W393-N441 HydrophobicContact CZ3-CB 4.45Å; L396-N441 HydrophobicContact CD1-CB 3.94Å; L396-N441 HydrophobicContact CD2-CB 3.4Å; L396-N441 HydrophobicContact CG-CB 4.17Å; I437-N441 WeakPolarHBondContact CG2-ND2 3.49Å; I437-N441 WeakPolarHBondContact O-CB 3.28Å; I437-N441 PolarHBondContact O-N 2.7Å; I437-N441 PolarHBondContact O-ND2 2.97Å; S438-N441 PolarHBondContact O-N 2.94Å; N441-F443 PolarHBondContact O-N 3.32Å; N441-G444 PolarHBondContact O-N 3.11Å; N441-R445 WeakPolarHBondContact O-CG 3.25Å; N441-R445 PolarHBondContact O-N 3.38Å
442	A	98.3	Very high	95.2	Very high	2 Å²	2	13.3 Å²	13.3	2%	0.017	6%	0.062	C	C	.	.	H	α-helix	trans	-58.1	-49	176	0	0	0	0	0	110.7	E306 Q397 S438 G444 R445 L446	E306-A442 VanDerWaalsContact OE2-C 3.31Å; Q397-A442 HydrophobicContact CG-CB 4.5Å; S438-A442 WeakPolarHBondContact O-CB 2.93Å; S438-A442 PolarHBondContact O-N 2.93Å; A442-G444 VanDerWaalsContact C-N 3.34Å; A442-G444 PolarHBondContact O-N 2.64Å; A442-R445 WeakPolarHBondContact O-CB 3.47Å; A442-R445 PolarHBondContact O-N 2.9Å; A442-R445 VanDerWaalsContact O-N 3.12Å; A442-L446 PolarHBondContact O-N 3.11Å
443	F	98.3	Very high	95.4	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-63.1	-41.5	177.4	178	-103.3	0	0	0	111.9	V54 I58 Y303 E306 L307 L310 F340 L439 N441 R445 L446 S447	V54-F443 HydrophobicContact CG1-CE1 3.48Å; V54-F443 VanDerWaalsContact CG1-CE1 3.48Å; V54-F443 HydrophobicContact CG1-CZ 3.63Å; I58-F443 HydrophobicContact CD1-CD1 4.26Å; I58-F443 HydrophobicContact CG1-CD1 4.13Å; Y303-F443 HydrophobicContact CD2-CD2 4.34Å; Y303-F443 AromaticContact CD2-CE2 3.57Å; Y303-F443 HydrophobicContact CD2-CE2 3.57Å; Y303-F443 HydrophobicContact CD2-CZ 4.08Å; Y303-F443 HydrophobicContact CE2-CD2 4.43Å; Y303-F443 HydrophobicContact CE2-CE1 4.46Å; Y303-F443 AromaticContact CE2-CE2 3.36Å; Y303-F443 HydrophobicContact CE2-CE2 3.36Å; Y303-F443 AromaticContact CE2-CZ 3.38Å; Y303-F443 HydrophobicContact CE2-CZ 3.38Å; Y303-F443 HydrophobicContact CG-CE2 4.27Å; Y303-F443 AromaticContact CZ-CE2 3.9Å; Y303-F443 AromaticContact CZ-CZ 3.77Å; E306-F443 HydrophobicContact CB-CB 4.41Å; E306-F443 HydrophobicContact CB-CD2 3.89Å; E306-F443 WeakPolarHBondContact OE2-CA 3.48Å; E306-F443 PolarHBondContact OE2-N 3.18Å; L307-F443 HydrophobicContact CB-CE2 3.75Å; L307-F443 HydrophobicContact CB-CZ 4.3Å; L307-F443 HydrophobicContact CD1-CE1 4.47Å; L307-F443 HydrophobicContact CD1-CE2 3.94Å; L307-F443 HydrophobicContact CD1-CZ 3.59Å; L307-F443 HydrophobicContact CG-CE2 4.45Å; L310-F443 HydrophobicContact CD1-CB 3.77Å; L310-F443 HydrophobicContact CD1-CD1 3.43Å; L310-F443 VanDerWaalsContact CD1-CD1 3.43Å; L310-F443 HydrophobicContact CD1-CD2 3.99Å; L310-F443 HydrophobicContact CD1-CE1 4.04Å; L310-F443 HydrophobicContact CD1-CG 3.4Å; F340-F443 HydrophobicContact CE2-CE1 4.16Å; F340-F443 AromaticContact CZ-CD1 3.96Å; F340-F443 HydrophobicContact CZ-CD1 3.96Å; F340-F443 AromaticContact CZ-CE1 3.66Å; F340-F443 HydrophobicContact CZ-CE1 3.66Å; L439-F443 VanDerWaalsContact O-CB 3.31Å; L439-F443 WeakPolarHBondContact O-CB 3.25Å; L439-F443 PolarHBondContact O-N 3.5Å; L439-F443 VanDerWaalsContact O-N 3.1Å; N441-F443 PolarHBondContact O-N 3.32Å; F443-R445 VanDerWaalsContact C-N 3.28Å; F443-R445 PolarHBondContact O-N 3.05Å; F443-L446 WeakPolarHBondContact O-CB 3.44Å; F443-L446 PolarHBondContact O-N 3.12Å; F443-L446 VanDerWaalsContact O-N 3.14Å; F443-S447 WeakPolarHBondContact O-CB 3.37Å; F443-S447 PolarHBondContact O-N 2.98Å
444	G	98.3	Very high	95.5	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-63.7	-31.3	176.2	0	0	0	0	0	113.4	F440 N441 A442 T448	F440-G444 PolarHBondContact O-N 3.21Å; N441-G444 PolarHBondContact O-N 3.11Å; A442-G444 VanDerWaalsContact C-N 3.34Å; A442-G444 PolarHBondContact O-N 2.64Å; G444-T448 WeakPolarHBondContact O-CB 3.49Å; G444-T448 PolarHBondContact O-N 3.36Å; G444-T448 PolarHBondContact O-OG1 3.46Å
445	R	97.9	Very high	95.5	Very high	42 Å²	42	8.1 Å²	8.1	16%	0.158	4%	0.044	C	C	.	.	H	α-helix	trans	-66	-50.1	168.9	-65.2	-55.2	88.8	-161.8	9.8	110.1	H246 W393 N441 A442 F443 S447 T448 S449	H246-R445 PolarHBondContact CE1-O 3.28Å; H246-R445 PolarHBondContact NE2-NH1 3.48Å; W393-R445 HydrophobicContact CE3-CG 4.08Å; W393-R445 HydrophobicContact CZ3-CG 3.81Å; N441-R445 WeakPolarHBondContact O-CG 3.25Å; N441-R445 PolarHBondContact O-N 3.38Å; A442-R445 WeakPolarHBondContact O-CB 3.47Å; A442-R445 PolarHBondContact O-N 2.9Å; A442-R445 VanDerWaalsContact O-N 3.12Å; F443-R445 VanDerWaalsContact C-N 3.28Å; F443-R445 PolarHBondContact O-N 3.05Å; R445-S447 VanDerWaalsContact C-N 3.3Å; R445-S447 PolarHBondContact O-N 2.66Å; R445-T448 PolarHBondContact O-N 3.21Å; R445-T448 VanDerWaalsContact O-N 3.08Å; R445-S449 PolarHBondContact O-N 2.97Å; R445-S449 PolarHBondContact O-OG 3.26Å
446	L	98.3	Very high	95.5	Very high	4 Å²	4	7.9 Å²	7.9	2%	0.021	4%	0.043	C	C	.	.	H	α-helix	trans	-55.8	-45.1	177.1	-63.7	168.1	0	0	0	112.2	L299 T302 Y303 E306 A442 F443 T448 S449 I450	L299-L446 HydrophobicContact CD1-CD2 3.63Å; T302-L446 HydrophobicContact CG2-CD1 3.86Å; T302-L446 HydrophobicContact CG2-CD2 4.04Å; Y303-L446 HydrophobicContact CD2-CB 4.07Å; E306-L446 HydrophobicContact CB-CD1 4.19Å; E306-L446 HydrophobicContact CG-CD1 3.97Å; E306-L446 VanDerWaalsContact OE2-CD1 3.31Å; E306-L446 WeakPolarHBondContact OE2-CD1 3.31Å; A442-L446 PolarHBondContact O-N 3.11Å; F443-L446 WeakPolarHBondContact O-CB 3.44Å; F443-L446 PolarHBondContact O-N 3.12Å; F443-L446 VanDerWaalsContact O-N 3.14Å; L446-T448 PolarHBondContact O-N 2.81Å; L446-S449 WeakPolarHBondContact O-CB 3.47Å; L446-S449 PolarHBondContact O-N 3.41Å; L446-I450 PolarHBondContact O-N 3.47Å
447	S	97.6	Very high	95.1	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-60.4	-42.8	175.8	-179.2	0	0	0	0	112.4	N50 L55 F443 R445 I450 G451	N50-S447 PolarHBondContact ND2-O 3.3Å; N50-S447 WeakPolarHBondContact OD1-CA 3.5Å; N50-S447 VanDerWaalsContact OD1-CB 3.31Å; N50-S447 WeakPolarHBondContact OD1-CB 2.96Å; N50-S447 PolarHBondContact OD1-OG 3.49Å; L55-S447 WeakPolarHBondContact CA-OG 3.23Å; L55-S447 WeakPolarHBondContact CD1-OG 3.39Å; F443-S447 WeakPolarHBondContact O-CB 3.37Å; F443-S447 PolarHBondContact O-N 2.98Å; R445-S447 VanDerWaalsContact C-N 3.3Å; R445-S447 PolarHBondContact O-N 2.66Å; S447-I450 PolarHBondContact O-N 2.82Å; S447-G451 PolarHBondContact O-N 3.48Å; S447-G451 VanDerWaalsContact O-N 3.08Å
448	T	97.4	Very high	94.8	Very high	20 Å²	20	11.2 Å²	11.2	12%	0.123	6%	0.059	C	C	.	.	H	α-helix	trans	-66	-40.2	176.7	-59.9	0	0	0	0	111.5	G444 R445 L446 G451 A452	G444-T448 WeakPolarHBondContact O-CB 3.49Å; G444-T448 PolarHBondContact O-N 3.36Å; G444-T448 PolarHBondContact O-OG1 3.46Å; R445-T448 PolarHBondContact O-N 3.21Å; R445-T448 VanDerWaalsContact O-N 3.08Å; L446-T448 PolarHBondContact O-N 2.81Å; T448-G451 PolarHBondContact O-N 3.38Å; T448-A452 WeakPolarHBondContact O-CB 3.36Å; T448-A452 PolarHBondContact O-N 2.81Å
449	S	97.5	Very high	94.3	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-60.5	-45.2	175.7	-67.8	0	0	0	0	111.6	S242 H246 R445 L446 G451 A452 L453	S242-S449 WeakPolarHBondContact CA-OG 3.39Å; S242-S449 PolarHBondContact O-OG 2.92Å; S242-S449 VanDerWaalsContact O-OG 3.11Å; S242-S449 PolarHBondContact OG-OG 3.39Å; H246-S449 PolarHBondContact CE1-OG 3.31Å; H246-S449 PolarHBondContact ND1-OG 3.13Å; R445-S449 PolarHBondContact O-N 2.97Å; R445-S449 PolarHBondContact O-OG 3.26Å; L446-S449 WeakPolarHBondContact O-CB 3.47Å; L446-S449 PolarHBondContact O-N 3.41Å; S449-G451 VanDerWaalsContact C-N 3.31Å; S449-G451 PolarHBondContact O-N 3.46Å; S449-A452 PolarHBondContact O-N 3.11Å; S449-L453 WeakPolarHBondContact O-CG 3.38Å; S449-L453 PolarHBondContact O-N 2.91Å
450	I	95	Very high	93.8	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-61.9	-40.1	176	-68.9	175.1	0	0	0	111.1	I46 T47 N50 L299 Y300 Y303 L446 S447 L453	I46-I450 HydrophobicContact CG2-CD1 4.5Å; T47-I450 HydrophobicContact CG2-CG2 4.17Å; N50-I450 HydrophobicContact CB-CG2 4.02Å; N50-I450 WeakPolarHBondContact ND2-CG2 3.25Å; L299-I450 HydrophobicContact CD2-CG1 4.33Å; L299-I450 HydrophobicContact CG-CG1 4.4Å; Y300-I450 HydrophobicContact CD1-CD1 3.77Å; Y300-I450 HydrophobicContact CD1-CG1 4.27Å; Y300-I450 HydrophobicContact CE1-CD1 3.78Å; Y300-I450 HydrophobicContact CE1-CG1 3.91Å; Y300-I450 HydrophobicContact CE1-CG2 3.88Å; Y303-I450 HydrophobicContact CD1-CD1 3.85Å; Y303-I450 HydrophobicContact CD2-CD1 3.51Å; Y303-I450 HydrophobicContact CE1-CD1 4.34Å; Y303-I450 HydrophobicContact CE2-CD1 4.02Å; Y303-I450 HydrophobicContact CG-CD1 3.4Å; Y303-I450 VanDerWaalsContact CG-CD1 3.4Å; L446-I450 PolarHBondContact O-N 3.47Å; S447-I450 PolarHBondContact O-N 2.82Å; I450-L453 WeakPolarHBondContact O-CB 3.46Å; I450-L453 PolarHBondContact O-N 2.81Å
451	G	94	Very high	93	Very high	10 Å²	10	16.1 Å²	16.1	10%	0.103	8%	0.083	C	C	.	.	H	α-helix	trans	-60.2	-47.3	173.5	0	0	0	0	0	112.4	N51 S447 T448 S449 L453 D454	N51-G451 WeakPolarHBondContact OD1-CA 3.49Å; S447-G451 PolarHBondContact O-N 3.48Å; S447-G451 VanDerWaalsContact O-N 3.08Å; T448-G451 PolarHBondContact O-N 3.38Å; S449-G451 VanDerWaalsContact C-N 3.31Å; S449-G451 PolarHBondContact O-N 3.46Å; G451-L453 PolarHBondContact O-N 3.37Å; G451-D454 WeakPolarHBondContact O-CB 3.44Å; G451-D454 PolarHBondContact O-N 2.93Å; G451-D454 VanDerWaalsContact O-N 3.08Å
452	A	93.7	Very high	92.3	Very high	5 Å²	5	20.7 Å²	20.7	4%	0.041	10%	0.104	C	C	.	.	H	α-helix	trans	-62.2	-27.2	178	0	0	0	0	0	113.5	V245 Y249 T448 S449 D454 D455 F456	V245-A452 HydrophobicContact CG1-CB 3.79Å; Y249-A452 HydrophobicContact CD1-CB 4.31Å; Y249-A452 HydrophobicContact CD2-CB 3.47Å; Y249-A452 VanDerWaalsContact CD2-CB 3.47Å; Y249-A452 HydrophobicContact CE2-CB 3.88Å; Y249-A452 HydrophobicContact CG-CB 3.71Å; T448-A452 WeakPolarHBondContact O-CB 3.36Å; T448-A452 PolarHBondContact O-N 2.81Å; S449-A452 PolarHBondContact O-N 3.11Å; A452-D454 VanDerWaalsContact C-N 3.32Å; A452-D455 PolarHBondContact O-N 3.02Å; A452-F456 VanDerWaalsContact O-CD2 3.25Å; A452-F456 WeakPolarHBondContact O-CD2 3.26Å; A452-F456 PolarHBondContact O-N 3.08Å
453	L	92.8	Very high	91.5	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-64	-36.2	173.7	-68.4	-177.7	0	0	0	112.4	V245 F280 L296 L299 Y300 S449 I450 G451 D455 F456 C457	V245-L453 HydrophobicContact CG1-CD2 4.46Å; V245-L453 HydrophobicContact CG2-CD2 3.95Å; F280-L453 HydrophobicContact CE2-CD2 3.62Å; F280-L453 HydrophobicContact CZ-CD2 3.77Å; L296-L453 HydrophobicContact CD1-CD2 4.48Å; L296-L453 HydrophobicContact CD2-CD1 4.28Å; L296-L453 HydrophobicContact CD2-CD2 3.81Å; L299-L453 HydrophobicContact CD2-CD1 3.92Å; Y300-L453 HydrophobicContact CE2-CD1 3.91Å; S449-L453 WeakPolarHBondContact O-CG 3.38Å; S449-L453 PolarHBondContact O-N 2.91Å; I450-L453 WeakPolarHBondContact O-CB 3.46Å; I450-L453 PolarHBondContact O-N 2.81Å; G451-L453 PolarHBondContact O-N 3.37Å; L453-D455 VanDerWaalsContact C-N 3.34Å; L453-F456 PolarHBondContact O-N 3.03Å; L453-C457 VanDerWaalsContact O-CB 3.28Å; L453-C457 WeakPolarHBondContact O-CB 3.34Å; L453-C457 PolarHBondContact O-N 3.35Å; L453-C457 PolarHBondContact O-SG 3.24Å
454	D	87.7	Confident	90.7	Very high	24 Å²	24	24.4 Å²	24.4	13%	0.128	12%	0.124	C	C	.	.	H	α-helix	trans	-62.8	-44.3	177	-161	38.1	0	0	0	110.1	R25 F29 G451 A452 C457 E458	R25-D454 IonicContact CZ-OD1 2.96Å; R25-D454 IonicContact CZ-OD2 3.29Å; R25-D454 IonicContact NH2-OD1 2.79Å; R25-D454 IonicContact NH2-OD2 3.62Å; R25-D454 PolarHBondContact NH2-OD2 3.09Å; F29-D454 WeakPolarHBondContact CE2-OD1 3.13Å; G451-D454 WeakPolarHBondContact O-CB 3.44Å; G451-D454 PolarHBondContact O-N 2.93Å; G451-D454 VanDerWaalsContact O-N 3.08Å; A452-D454 VanDerWaalsContact C-N 3.32Å; D454-C457 WeakPolarHBondContact O-CB 3.44Å; D454-C457 PolarHBondContact O-N 2.95Å; D454-E458 WeakPolarHBondContact O-CG 3.11Å; D454-E458 PolarHBondContact O-N 3.29Å
455	D	89.1	Confident	89.8	Confident	49 Å²	49	29.4 Å²	29.4	26%	0.262	15%	0.145	S	C	.	.	H	α-helix	trans	-63.3	-46.1	177.3	-67.3	-12.2	0	0	0	112.4	Y249 A452 L453 C457 E458 M459	Y249-D455 HydrophobicContact CE2-CB 3.82Å; Y249-D455 VanDerWaalsContact CE2-OD2 3.29Å; Y249-D455 WeakPolarHBondContact CE2-OD2 3.3Å; Y249-D455 VanDerWaalsContact CZ-OD2 3.25Å; Y249-D455 PolarHBondContact OH-OD2 2.64Å; A452-D455 PolarHBondContact O-N 3.02Å; L453-D455 VanDerWaalsContact C-N 3.34Å; D455-C457 VanDerWaalsContact C-N 3.28Å; D455-C457 PolarHBondContact O-N 3.42Å; D455-E458 PolarHBondContact O-N 3.3Å; D455-M459 HydrophobicContact CB-CE 4.1Å; D455-M459 VanDerWaalsContact O-CG 3.32Å; D455-M459 WeakPolarHBondContact O-CG 3.18Å; D455-M459 PolarHBondContact O-N 3.04Å
456	F	91.3	Very high	88.9	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-62.9	-37.4	175.8	-80.2	-55.7	0	0	0	111.9	V245 Y249 P275 L277 F280 A452 L453 E458 M459 I460	V245-F456 HydrophobicContact CG1-CE2 4.47Å; Y249-F456 HydrophobicContact CD2-CD2 4.32Å; Y249-F456 AromaticContact CD2-CE2 3.77Å; Y249-F456 HydrophobicContact CD2-CE2 3.77Å; Y249-F456 AromaticContact CD2-CZ 4Å; Y249-F456 HydrophobicContact CD2-CZ 4Å; Y249-F456 HydrophobicContact CG-CE2 4.34Å; P275-F456 HydrophobicContact CB-CE1 3.84Å; P275-F456 HydrophobicContact CB-CZ 4.03Å; L277-F456 HydrophobicContact CD1-CD1 4.32Å; F280-F456 HydrophobicContact CB-CD1 3.9Å; F280-F456 HydrophobicContact CB-CD2 4.42Å; F280-F456 HydrophobicContact CB-CE1 3.73Å; F280-F456 HydrophobicContact CB-CE2 4.25Å; F280-F456 HydrophobicContact CB-CG 4.26Å; F280-F456 HydrophobicContact CB-CZ 3.91Å; F280-F456 HydrophobicContact CD1-CB 4.07Å; F280-F456 HydrophobicContact CD1-CD1 4.24Å; F280-F456 HydrophobicContact CD1-CD2 4.49Å; F280-F456 HydrophobicContact CD1-CG 4.04Å; F280-F456 HydrophobicContact CD2-CB 4.43Å; F280-F456 HydrophobicContact CD2-CD1 4.34Å; F280-F456 AromaticContact CD2-CD2 3.46Å; F280-F456 HydrophobicContact CD2-CD2 3.46Å; F280-F456 VanDerWaalsContact CD2-CD2 3.46Å; F280-F456 AromaticContact CD2-CE2 3.64Å; F280-F456 HydrophobicContact CD2-CE2 3.64Å; F280-F456 AromaticContact CD2-CG 3.84Å; F280-F456 HydrophobicContact CD2-CG 3.84Å; F280-F456 HydrophobicContact CD2-CZ 4.19Å; F280-F456 HydrophobicContact CE1-CB 4.01Å; F280-F456 HydrophobicContact CE1-CG 4.37Å; F280-F456 HydrophobicContact CE2-CB 4.37Å; F280-F456 AromaticContact CE2-CD2 3.76Å; F280-F456 HydrophobicContact CE2-CD2 3.76Å; F280-F456 HydrophobicContact CE2-CE2 4.3Å; F280-F456 HydrophobicContact CE2-CG 4.19Å; F280-F456 HydrophobicContact CG-CB 4.28Å; F280-F456 AromaticContact CG-CD1 3.9Å; F280-F456 HydrophobicContact CG-CD1 3.9Å; F280-F456 AromaticContact CG-CD2 3.87Å; F280-F456 HydrophobicContact CG-CD2 3.87Å; F280-F456 HydrophobicContact CG-CE1 4.15Å; F280-F456 HydrophobicContact CG-CE2 4.1Å; F280-F456 AromaticContact CG-CG 3.76Å; F280-F456 HydrophobicContact CG-CG 3.76Å; F280-F456 HydrophobicContact CG-CZ 4.25Å; F280-F456 HydrophobicContact CZ-CB 4.16Å; F280-F456 HydrophobicContact CZ-CD2 4.39Å; F280-F456 HydrophobicContact CZ-CG 4.44Å; A452-F456 VanDerWaalsContact O-CD2 3.25Å; A452-F456 WeakPolarHBondContact O-CD2 3.26Å; A452-F456 PolarHBondContact O-N 3.08Å; L453-F456 PolarHBondContact O-N 3.03Å; F456-E458 VanDerWaalsContact C-N 3.34Å; F456-M459 HydrophobicContact CD1-SD 4.14Å; F456-M459 PolarHBondContact O-N 2.83Å; F456-I460 VanDerWaalsContact O-CG1 3.26Å; F456-I460 WeakPolarHBondContact O-CG1 3.46Å; F456-I460 PolarHBondContact O-N 3.49Å
457	C	85.7	Confident	88	Confident	5 Å²	5	39.7 Å²	39.7	3%	0.034	19%	0.193	C	C	.	.	H	α-helix	trans	-61.8	-42.1	174.9	-78.5	0	0	0	0	112.2	C28 F29 L453 D454 D455 I460 H461	C28-C457 HydrophobicContact CB-CB 3.31Å; C28-C457 WeakPolarHBondContact CB-SG 3.4Å; C28-C457 WeakPolarHBondContact SG-CA 3.46Å; C28-C457 WeakPolarHBondContact SG-CB 3.31Å; C28-C457 CovalentContact SG-SG 2.03Å; C28-C457 PolarHBondContact SG-SG 2.79Å; F29-C457 HydrophobicContact CE2-CB 4.36Å; L453-C457 VanDerWaalsContact O-CB 3.28Å; L453-C457 WeakPolarHBondContact O-CB 3.34Å; L453-C457 PolarHBondContact O-N 3.35Å; L453-C457 PolarHBondContact O-SG 3.24Å; D454-C457 WeakPolarHBondContact O-CB 3.44Å; D454-C457 PolarHBondContact O-N 2.95Å; D455-C457 VanDerWaalsContact C-N 3.28Å; D455-C457 PolarHBondContact O-N 3.42Å; C457-I460 PolarHBondContact O-N 3.37Å; C457-H461 PolarHBondContact O-N 3.48Å; C457-H461 VanDerWaalsContact O-N 3.1Å
458	E	85.9	Confident	87	Confident	69 Å²	69	45.9 Å²	45.9	32%	0.322	22%	0.216	S	C	.	.	H	α-helix	trans	-62.8	-45.8	174	-70.6	-173.4	172.1	0	0	111.6	R25 D454 D455 F456 I460 H461 E462	R25-E458 IonicContact CZ-OE1 3.49Å; R25-E458 IonicContact NE-OE1 3.21Å; R25-E458 PolarHBondContact NE-OE1 2.75Å; R25-E458 IonicContact NH2-OE1 3.64Å; R25-E458 PolarHBondContact NH2-OE1 3.29Å; D454-E458 WeakPolarHBondContact O-CG 3.11Å; D454-E458 PolarHBondContact O-N 3.29Å; D455-E458 PolarHBondContact O-N 3.3Å; F456-E458 VanDerWaalsContact C-N 3.34Å; E458-I460 VanDerWaalsContact C-N 3.34Å; E458-I460 PolarHBondContact O-N 2.83Å; E458-H461 WeakPolarHBondContact O-CB 3.4Å; E458-H461 PolarHBondContact O-N 2.91Å; E458-H461 VanDerWaalsContact O-N 3.11Å; E458-E462 WeakPolarHBondContact O-CG 3.27Å; E458-E462 PolarHBondContact O-N 3.46Å
459	M	87.6	Confident	85.8	Confident	35 Å²	35	50.4 Å²	50.4	17%	0.172	24%	0.236	C	C	.	.	H	α-helix	trans	-62.3	-38	177.5	-66.1	171.6	-156.1	0	0	112.9	P275 L277 D455 F456 H461 S463	P275-M459 HydrophobicContact CB-CE 3.73Å; P275-M459 HydrophobicContact CB-SD 4.08Å; P275-M459 HydrophobicContact CG-CE 3.31Å; P275-M459 HydrophobicContact CG-SD 4.05Å; L277-M459 HydrophobicContact CD1-CB 4.48Å; L277-M459 HydrophobicContact CD2-CB 4.18Å; D455-M459 HydrophobicContact CB-CE 4.1Å; D455-M459 VanDerWaalsContact O-CG 3.32Å; D455-M459 WeakPolarHBondContact O-CG 3.18Å; D455-M459 PolarHBondContact O-N 3.04Å; F456-M459 HydrophobicContact CD1-SD 4.14Å; F456-M459 PolarHBondContact O-N 2.83Å; M459-H461 VanDerWaalsContact C-N 3.32Å; M459-S463 VanDerWaalsContact O-CB 3.25Å; M459-S463 WeakPolarHBondContact O-CB 3.41Å; M459-S463 PolarHBondContact O-N 3.43Å
460	I	85.7	Confident	84.8	Confident	27 Å²	27	54 Å²	54	14%	0.138	27%	0.265	C	S	.	.	H	α-helix	trans	-61.1	-46.3	174.1	-72	165.9	0	0	0	109.8	L277 F280 F456 C457 E458 S463 E464	L277-I460 HydrophobicContact CD1-CD1 4.25Å; L277-I460 HydrophobicContact CD1-CG1 3.49Å; L277-I460 VanDerWaalsContact CD1-CG1 3.49Å; F280-I460 HydrophobicContact CD1-CD1 4.42Å; F280-I460 HydrophobicContact CE1-CD1 4.08Å; F456-I460 VanDerWaalsContact O-CG1 3.26Å; F456-I460 WeakPolarHBondContact O-CG1 3.46Å; F456-I460 PolarHBondContact O-N 3.49Å; C457-I460 PolarHBondContact O-N 3.37Å; E458-I460 VanDerWaalsContact C-N 3.34Å; E458-I460 PolarHBondContact O-N 2.83Å; I460-S463 PolarHBondContact O-N 3.45Å; I460-E464 WeakPolarHBondContact O-CG 3.27Å; I460-E464 PolarHBondContact O-N 2.85Å
461	H	82.4	Confident	83.7	Confident	41 Å²	41	58.2 Å²	58.2	19%	0.19	30%	0.3	C	S	.	.	H	α-helix	trans	-64.3	-44.5	-178.3	-178.8	-123.7	0	0	0	112.1	E24 C457 E458 M459 S463 E464 K465	E24-H461 VanDerWaalsContact CB-CE1 3.46Å; E24-H461 WeakPolarHBondContact CB-CE1 3.28Å; E24-H461 WeakPolarHBondContact CB-NE2 3.24Å; E24-H461 IonicContact OE2-CE1 3.81Å; E24-H461 PolarHBondContact OE2-CE1 3.49Å; E24-H461 IonicContact OE2-NE2 3.74Å; E24-H461 PolarHBondContact OE2-NE2 2.92Å; C457-H461 PolarHBondContact O-N 3.48Å; C457-H461 VanDerWaalsContact O-N 3.1Å; E458-H461 WeakPolarHBondContact O-CB 3.4Å; E458-H461 PolarHBondContact O-N 2.91Å; E458-H461 VanDerWaalsContact O-N 3.11Å; M459-H461 VanDerWaalsContact C-N 3.32Å; H461-S463 PolarHBondContact O-N 2.96Å; H461-E464 PolarHBondContact O-N 3.35Å; H461-K465 WeakPolarHBondContact O-CB 3.44Å; H461-K465 PolarHBondContact O-N 3.46Å
462	E	83.8	Confident	82.6	Confident	100 Å²	100	62.3 Å²	62.3	47%	0.467	33%	0.327	S	S	.	.	H	α-helix	trans	-61.7	-42.4	174.7	-70	-177.7	168.7	0	0	112.2	E458 E464 K465 Q466	E458-E462 WeakPolarHBondContact O-CG 3.27Å; E458-E462 PolarHBondContact O-N 3.46Å; E462-E464 PolarHBondContact O-N 2.82Å; E462-K465 PolarHBondContact O-N 3.35Å; E462-Q466 WeakPolarHBondContact O-CG 3.33Å; E462-Q466 PolarHBondContact O-N 2.95Å
463	S	82.4	Confident	80.9	Confident	23 Å²	23	67.4 Å²	67.4	16%	0.161	38%	0.381	C	S	.	.	H	α-helix	trans	-61.7	-41.2	176.1	-179.6	0	0	0	0	112.2	M459 I460 H461 K467	M459-S463 VanDerWaalsContact O-CB 3.25Å; M459-S463 WeakPolarHBondContact O-CB 3.41Å; M459-S463 PolarHBondContact O-N 3.43Å; I460-S463 PolarHBondContact O-N 3.45Å; H461-S463 PolarHBondContact O-N 2.96Å; S463-K467 WeakPolarHBondContact O-CG 3.44Å; S463-K467 PolarHBondContact O-N 3.07Å; S463-K467 VanDerWaalsContact O-N 3.12Å
464	E	81.3	Confident	80.3	Confident	57 Å²	57	70.8 Å²	70.8	27%	0.266	40%	0.399	S	S	.	.	H	α-helix	trans	-65.8	-41	175.1	-76.3	-174.2	-166.6	0	0	112.1	R27 I460 H461 E462 K467 R468	R27-E464 IonicContact CZ-OE2 3.96Å; R27-E464 IonicContact NH1-OE2 2.91Å; R27-E464 PolarHBondContact NH1-OE2 2.99Å; I460-E464 WeakPolarHBondContact O-CG 3.27Å; I460-E464 PolarHBondContact O-N 2.85Å; H461-E464 PolarHBondContact O-N 3.35Å; E462-E464 PolarHBondContact O-N 2.82Å; E464-K467 PolarHBondContact O-N 3.45Å; E464-R468 WeakPolarHBondContact O-CG 3.47Å; E464-R468 PolarHBondContact O-N 2.98Å
465	K	79.4	Confident	79.9	Confident	106 Å²	106	73.2 Å²	73.2	46%	0.461	41%	0.414	S	S	.	.	H	α-helix	trans	-62	-44.5	177.4	-173.8	173.2	-179.8	175.4	0	111.3	H461 E462 R468 H469	H461-K465 WeakPolarHBondContact O-CB 3.44Å; H461-K465 PolarHBondContact O-N 3.46Å; E462-K465 PolarHBondContact O-N 3.35Å; K465-R468 PolarHBondContact O-N 3.43Å; K465-H469 PolarHBondContact O-CD2 3.08Å; K465-H469 PolarHBondContact O-N 3.49Å
466	Q	79.4	Confident	79.4	Confident	125 Å²	125	74.6 Å²	74.6	58%	0.584	42%	0.422	S	S	*	.	H	α-helix	trans	-61.9	-43.5	176.1	-71.8	173.9	1.6	0	0	112.4	E462 R468 H469 A470	E462-Q466 WeakPolarHBondContact O-CG 3.33Å; E462-Q466 PolarHBondContact O-N 2.95Å; Q466-R468 VanDerWaalsContact C-N 3.32Å; Q466-R468 PolarHBondContact O-N 3.48Å; Q466-H469 PolarHBondContact O-N 3.35Å; Q466-A470 WeakPolarHBondContact O-CB 3.36Å; Q466-A470 PolarHBondContact O-N 3.19Å
467	K	78.5	Confident	78.7	Confident	136 Å²	136	78.9 Å²	78.9	59%	0.591	45%	0.447	S	S	*	.	H	α-helix	trans	-61.1	-39.5	176.3	-73.8	178	-178	-175.6	0	112.5	S463 E464 A470 A471	S463-K467 WeakPolarHBondContact O-CG 3.44Å; S463-K467 PolarHBondContact O-N 3.07Å; S463-K467 VanDerWaalsContact O-N 3.12Å; E464-K467 PolarHBondContact O-N 3.45Å; K467-A470 PolarHBondContact O-N 3.01Å; K467-A471 WeakPolarHBondContact O-CB 3.49Å; K467-A471 PolarHBondContact O-N 2.81Å
468	R	75.5	Confident	78.2	Confident	130 Å²	130	83.6 Å²	83.6	49%	0.491	47%	0.473	S	S	.	.	H	α-helix	trans	-66	-44.8	176.1	-72.7	173.6	179.5	-174.2	-1.1	111.9	R27 E464 K465 Q466 A470 A471 S472	R27-R468 VanDerWaalsContact NH2-NH2 3.13Å; E464-R468 WeakPolarHBondContact O-CG 3.47Å; E464-R468 PolarHBondContact O-N 2.98Å; K465-R468 PolarHBondContact O-N 3.43Å; Q466-R468 VanDerWaalsContact C-N 3.32Å; Q466-R468 PolarHBondContact O-N 3.48Å; R468-A470 VanDerWaalsContact C-N 3.31Å; R468-A470 PolarHBondContact O-N 3.14Å; R468-A471 PolarHBondContact O-N 3.26Å; R468-S472 WeakPolarHBondContact O-CB 3.46Å; R468-S472 PolarHBondContact O-N 3.45Å; R468-S472 PolarHBondContact O-OG 3.12Å; R468-S472 VanDerWaalsContact O-OG 3.07Å
469	H	74.2	Confident	77.7	Confident	116 Å²	116	84.5 Å²	84.5	54%	0.537	48%	0.483	S	S	.	.	H	α-helix	trans	-60.9	-41.6	176.5	-76.1	-60.6	0	0	0	112	K465 Q466 A471 S472 G473	K465-H469 PolarHBondContact O-CD2 3.08Å; K465-H469 PolarHBondContact O-N 3.49Å; Q466-H469 PolarHBondContact O-N 3.35Å; H469-A471 VanDerWaalsContact C-N 3.31Å; H469-A471 PolarHBondContact O-N 3.41Å; H469-S472 WeakPolarHBondContact CA-OG 3.39Å; H469-S472 PolarHBondContact O-N 3.39Å; H469-S472 PolarHBondContact O-OG 3.22Å; H469-G473 PolarHBondContact O-N 3.06Å
470	A	75.5	Confident	77	Confident	75 Å²	75	88.1 Å²	88.1	62%	0.62	51%	0.505	S	S	*	.	H	α-helix	trans	-72	-19.9	176.9	0	0	0	0	0	114.3	Q466 K467 R468	Q466-A470 WeakPolarHBondContact O-CB 3.36Å; Q466-A470 PolarHBondContact O-N 3.19Å; K467-A470 PolarHBondContact O-N 3.01Å; R468-A470 VanDerWaalsContact C-N 3.31Å; R468-A470 PolarHBondContact O-N 3.14Å
471	A	72.4	Confident	76.4	Confident	88 Å²	88	92.8 Å²	92.8	73%	0.727	53%	0.533	S	S	*	.	H	α-helix	trans	-88.4	-23	173.5	0	0	0	0	0	112.6	K467 R468 H469	K467-A471 WeakPolarHBondContact O-CB 3.49Å; K467-A471 PolarHBondContact O-N 2.81Å; R468-A471 PolarHBondContact O-N 3.26Å; H469-A471 VanDerWaalsContact C-N 3.31Å; H469-A471 PolarHBondContact O-N 3.41Å
472	S	70	Confident	75.8	Confident	96 Å²	96	97.1 Å²	97.1	67%	0.671	56%	0.562	S	S	*	*	H	α-helix	trans	-91.6	-25.1	179.1	59.8	0	0	0	0	114.5	R468 H469	R468-S472 WeakPolarHBondContact O-CB 3.46Å; R468-S472 PolarHBondContact O-N 3.45Å; R468-S472 PolarHBondContact O-OG 3.12Å; R468-S472 VanDerWaalsContact O-OG 3.07Å; H469-S472 WeakPolarHBondContact CA-OG 3.39Å; H469-S472 PolarHBondContact O-N 3.39Å; H469-S472 PolarHBondContact O-OG 3.22Å
473	G	57.9	Low	75.1	Confident	113 Å²	113	96.8 Å²	96.8	100%	1.165	57%	0.57	S	S	*	*			trans	-97.1	0	173.4	0	0	0	0	0	110	H469	H469-G473 PolarHBondContact O-N 3.06Å

Retrieved 473 of 473 residues in 864.5 ms (Link to these results)

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