A0A3Q0KEA5_SCHMA Loading...

Innexin AlphaSync

Structural component of the gap junctions.

AlphaFold DB , UniProt , Accession A0A3Q0KEA5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene inx, Length 865 aa.

						>A0A3Q0KEA5_SCHMA|A0A3Q0KEA5|inx
MNADYVWKLSKFGRLTSTRLRSDDDFADRLNYQFTGLLLFVFIGIIGIRQYVGKPIQCWTPQEFTRAWEEYAENYCWVASTYFIHLTRYPTSNILVSQSNFMPNGYIDTNGQRVLQPYSIFPKFSRPKAGELPSDGRLISYYQWAPILLAVQSFLFYLPCLIWRLFAGQSGFQVKRIMQFASEAAQAAPTEGDTSCQPQTQSSQVDQINQSKKRTSVIALNTMGFSSSAPNSSFSATKSVKTLARYLDMCFMRQRELRRAFILGSDQKLKKNSYSIRTQSSKSQSGFYLPEIESGVFRHGQRSVNRIHSSASSRTRSGLASELTEYEQNSTVQRLAMHQRKRCFTFSSCFRKPCRKRKSTSSYQQYSNKSSKLTPQTSLPDNLETVAMPNSYYSAHKRFDDCSQTVNELTIEEPSQNSSTCCPCWGTHTPKHPQKTRTTHIPPCRYQGNFLVRLYMLVKLIYLSNVIGQIFLLEYYTGVEYNFYGIRVLYDLARGRQWEESGHFPRVTFCDFEAKKLAQSHYYTLQCVLPINMFLEKIYIFLWLWFFLVGIVTFGSMIIWIRRIGTRTVRLTWIQQQLITIRQYDKFEKGFEQFVDNHMGPDGVFLLRLIAQNYGDLVAGDTIGELWMAYWQRRLTVSSERRLTGSISRKPPSPASTFNRFDQPLPSDTYAKNPSLRNQNNEKYPMQMTLTKGQIEHKTSKQGKKDKSRRMATASGFPAALLATEMVHPVDRFGVPLIAATRKPPSLPSRSSSRYSQRSRSRERSESPPPIPQRSPGCENYSFSDRQSIKDFEHQSEHSSVIYPISPTGPDEEEIVDHQAEAIVENDQTVNIQGSFEYEDPQGNIYTENHDNEYAEDVQNDDNIV
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.6	Very low	59.3	Low	217 Å²	217	117.5 Å²	117.5	100%	1.069	59%	0.591	S	S	*	*				0	131.9	0	-73.8	177.3	167.1	0	0	108.5
2	N	60.8	Low	58.9	Low	111 Å²	111	119.4 Å²	119.4	59%	0.594	59%	0.593	S	S	*	*			trans	-75.4	136.4	178.1	-65.9	6.8	0	0	0	110.9	D4 Y5	N2-D4 PolarHBondContact O-N 3.49Å; N2-D4 VanDerWaalsContact O-N 3.15Å; N2-Y5 HydrophobicContact CB-CD2 4.14Å; N2-Y5 PolarHBondContact O-N 2.9Å; N2-Y5 VanDerWaalsContact O-N 3.09Å
3	A	66.8	Low	57.9	Low	78 Å²	78	111.8 Å²	111.8	65%	0.645	56%	0.563	S	S	*	*	H	α-helix	trans	-56.4	-31.7	-178.4	0	0	0	0	0	113	Y5 V6 W7	A3-Y5 VanDerWaalsContact C-N 3.27Å; A3-Y5 PolarHBondContact O-N 3.4Å; A3-V6 PolarHBondContact O-N 2.89Å; A3-V6 VanDerWaalsContact O-N 3.16Å; A3-W7 WeakPolarHBondContact O-CB 3.31Å; A3-W7 PolarHBondContact O-N 3.09Å
4	D	70.2	Confident	57.1	Low	104 Å²	104	111.7 Å²	111.7	56%	0.556	55%	0.553	S	S	*	*	H	α-helix	trans	-57.5	-34.3	177	-65.9	-59.1	0	0	0	114.1	N2 K8	N2-D4 PolarHBondContact O-N 3.49Å; N2-D4 VanDerWaalsContact O-N 3.15Å; D4-K8 VanDerWaalsContact O-CB 3.25Å; D4-K8 WeakPolarHBondContact O-CB 3.47Å; D4-K8 WeakPolarHBondContact O-CD 3.48Å; D4-K8 WeakPolarHBondContact O-CG 3.48Å; D4-K8 PolarHBondContact O-N 3.08Å
5	Y	68.3	Low	56.4	Low	158 Å²	158	112.4 Å²	112.4	62%	0.62	56%	0.559	S	S	*	*	H	α-helix	trans	-73	-40.2	177.7	-73	-72.1	0	0	0	111.3	N2 A3 W7 K8 L9	N2-Y5 HydrophobicContact CB-CD2 4.14Å; N2-Y5 PolarHBondContact O-N 2.9Å; N2-Y5 VanDerWaalsContact O-N 3.09Å; A3-Y5 VanDerWaalsContact C-N 3.27Å; A3-Y5 PolarHBondContact O-N 3.4Å; Y5-W7 VanDerWaalsContact C-N 3.34Å; Y5-K8 PolarHBondContact O-N 3.31Å; Y5-L9 WeakPolarHBondContact O-CB 3.43Å; Y5-L9 WeakPolarHBondContact O-CG 3.33Å; Y5-L9 PolarHBondContact O-N 2.84Å
6	V	59.1	Low	55.7	Low	87 Å²	87	110.8 Å²	110.8	53%	0.527	56%	0.557	S	S	.	*	H	α-helix	trans	-64.5	-41.4	173.6	-174.6	0	0	0	0	110.4	A3 L9 S10	A3-V6 PolarHBondContact O-N 2.89Å; A3-V6 VanDerWaalsContact O-N 3.16Å; V6-L9 PolarHBondContact O-N 3.43Å; V6-S10 PolarHBondContact O-N 3.47Å
7	W	53.6	Low	55.1	Low	143 Å²	143	107.1 Å²	107.1	54%	0.542	54%	0.544	S	S	.	.	H	α-helix	trans	-69	-37.5	176.7	-162.6	86.8	0	0	0	112.2	A3 Y5 S10 K11	A3-W7 WeakPolarHBondContact O-CB 3.31Å; A3-W7 PolarHBondContact O-N 3.09Å; Y5-W7 VanDerWaalsContact C-N 3.34Å; W7-S10 WeakPolarHBondContact O-CB 3.5Å; W7-S10 PolarHBondContact O-N 3.17Å; W7-S10 PolarHBondContact O-OG 3Å; W7-K11 HydrophobicContact CZ3-CD 4.07Å; W7-K11 PolarHBondContact O-N 3.06Å
8	K	60.9	Low	54.2	Low	114 Å²	114	106.9 Å²	106.9	50%	0.496	55%	0.549	S	S	.	.	H	α-helix	trans	-63.6	-40.4	170.5	-77.1	168	-176.3	174	0	111.9	D4 Y5 K11 F12	D4-K8 VanDerWaalsContact O-CB 3.25Å; D4-K8 WeakPolarHBondContact O-CB 3.47Å; D4-K8 WeakPolarHBondContact O-CD 3.48Å; D4-K8 WeakPolarHBondContact O-CG 3.48Å; D4-K8 PolarHBondContact O-N 3.08Å; Y5-K8 PolarHBondContact O-N 3.31Å; K8-K11 CarbonylContact O-C 3.6Å; K8-K11 VanDerWaalsContact O-CA 3.28Å; K8-K11 WeakPolarHBondContact O-CA 3.43Å; K8-K11 WeakPolarHBondContact O-CB 3.32Å; K8-K11 PolarHBondContact O-N 3.16Å; K8-F12 WeakPolarHBondContact O-CD2 3.19Å; K8-F12 PolarHBondContact O-N 3.29Å
9	L	56.3	Low	53.9	Low	119 Å²	119	112.8 Å²	112.8	62%	0.623	56%	0.564	S	S	*	*	H	α-helix	trans	-62.6	-40.3	171.9	-78.7	163.1	0	0	0	112.1	Y5 V6 K11 F12 G13	Y5-L9 WeakPolarHBondContact O-CB 3.43Å; Y5-L9 WeakPolarHBondContact O-CG 3.33Å; Y5-L9 PolarHBondContact O-N 2.84Å; V6-L9 PolarHBondContact O-N 3.43Å; L9-K11 PolarHBondContact O-N 3.05Å; L9-K11 VanDerWaalsContact O-N 3.15Å; L9-F12 WeakPolarHBondContact O-CA 3.36Å; L9-F12 WeakPolarHBondContact O-CB 3.49Å; L9-F12 PolarHBondContact O-N 3.15Å; L9-G13 PolarHBondContact O-N 3.04Å
10	S	54.8	Low	53.9	Low	48 Å²	48	111.9 Å²	111.9	34%	0.336	56%	0.56	S	S	.	*	H	α-helix	trans	-61.7	-21.3	169.6	88.9	0	0	0	0	113	V6 W7 R14	V6-S10 PolarHBondContact O-N 3.47Å; W7-S10 WeakPolarHBondContact O-CB 3.5Å; W7-S10 PolarHBondContact O-N 3.17Å; W7-S10 PolarHBondContact O-OG 3Å; S10-R14 WeakPolarHBondContact O-CG 3.5Å; S10-R14 PolarHBondContact O-N 3.29Å; S10-R14 PolarHBondContact O-NE 2.9Å; S10-R14 VanDerWaalsContact O-NE 3.09Å; S10-R14 PolarHBondContact OG-NH2 2.82Å
11	K	53.7	Low	54.2	Low	114 Å²	114	110.7 Å²	110.7	50%	0.496	55%	0.549	S	S	.	.	H	α-helix	trans	-83	-29.7	174.8	-143.3	172.7	-176.3	178.4	0	111.7	W7 K8 L9 R14 L15	W7-K11 HydrophobicContact CZ3-CD 4.07Å; W7-K11 PolarHBondContact O-N 3.06Å; K8-K11 CarbonylContact O-C 3.6Å; K8-K11 VanDerWaalsContact O-CA 3.28Å; K8-K11 WeakPolarHBondContact O-CA 3.43Å; K8-K11 WeakPolarHBondContact O-CB 3.32Å; K8-K11 PolarHBondContact O-N 3.16Å; L9-K11 PolarHBondContact O-N 3.05Å; L9-K11 VanDerWaalsContact O-N 3.15Å; K11-R14 CarbonylContact O-C 3.6Å; K11-R14 WeakPolarHBondContact O-CA 3.32Å; K11-R14 WeakPolarHBondContact O-CB 3.45Å; K11-R14 PolarHBondContact O-N 3.14Å; K11-R14 VanDerWaalsContact O-N 3.15Å; K11-L15 PolarHBondContact O-N 3.27Å; K11-L15 VanDerWaalsContact O-N 3.1Å
12	F	54.6	Low	55.2	Low	140 Å²	140	101.3 Å²	101.3	61%	0.614	51%	0.505	S	S	*	.	H	α-helix	trans	-66.7	-41.1	164.9	-80.6	-85	0	0	0	111.8	K8 L9 R14 L15	K8-F12 WeakPolarHBondContact O-CD2 3.19Å; K8-F12 PolarHBondContact O-N 3.29Å; L9-F12 WeakPolarHBondContact O-CA 3.36Å; L9-F12 WeakPolarHBondContact O-CB 3.49Å; L9-F12 PolarHBondContact O-N 3.15Å; F12-R14 PolarHBondContact O-N 3.19Å; F12-R14 VanDerWaalsContact O-N 3.15Å; F12-L15 HydrophobicContact CD1-CD1 3.67Å; F12-L15 HydrophobicContact CE1-CD1 3.95Å; F12-L15 HydrophobicContact CG-CD1 4.35Å; F12-L15 WeakPolarHBondContact O-CB 3.36Å; F12-L15 PolarHBondContact O-N 3.45Å
13	G	46.6	Very low	56	Low	20 Å²	20	96.2 Å²	96.2	21%	0.206	48%	0.478	C	S	.	.	H	α-helix	trans	-58	-26.3	167.9	0	0	0	0	0	113.4	L9 T16 S17	L9-G13 PolarHBondContact O-N 3.04Å; G13-T16 PolarHBondContact O-OG1 3.03Å; G13-S17 WeakPolarHBondContact O-CB 3.07Å
14	R	46.3	Very low	56.8	Low	111 Å²	111	92.6 Å²	92.6	42%	0.419	45%	0.448	S	S	.	.	H	α-helix	trans	-83	-13.2	171.8	-73.9	177	-89.3	-174.7	-4.7	114.5	S10 K11 F12 T16 S17 T18	S10-R14 WeakPolarHBondContact O-CG 3.5Å; S10-R14 PolarHBondContact O-N 3.29Å; S10-R14 PolarHBondContact O-NE 2.9Å; S10-R14 VanDerWaalsContact O-NE 3.09Å; S10-R14 PolarHBondContact OG-NH2 2.82Å; K11-R14 CarbonylContact O-C 3.6Å; K11-R14 WeakPolarHBondContact O-CA 3.32Å; K11-R14 WeakPolarHBondContact O-CB 3.45Å; K11-R14 PolarHBondContact O-N 3.14Å; K11-R14 VanDerWaalsContact O-N 3.15Å; F12-R14 PolarHBondContact O-N 3.19Å; F12-R14 VanDerWaalsContact O-N 3.15Å; R14-T16 VanDerWaalsContact C-N 3.32Å; R14-S17 CarbonylContact O-C 3.58Å; R14-S17 PolarHBondContact O-N 3.44Å; R14-T18 WeakPolarHBondContact O-CB 3.41Å; R14-T18 WeakPolarHBondContact O-CG2 3.4Å; R14-T18 PolarHBondContact O-N 2.94Å; R14-T18 PolarHBondContact O-OG1 3.39Å
15	L	46.2	Very low	57.6	Low	122 Å²	122	88.4 Å²	88.4	64%	0.639	43%	0.425	S	S	*	.	H	α-helix	trans	-71.7	-27.2	169	-73.9	168.9	0	0	0	112.1	K11 F12 T18	K11-L15 PolarHBondContact O-N 3.27Å; K11-L15 VanDerWaalsContact O-N 3.1Å; F12-L15 HydrophobicContact CD1-CD1 3.67Å; F12-L15 HydrophobicContact CE1-CD1 3.95Å; F12-L15 HydrophobicContact CG-CD1 4.35Å; F12-L15 WeakPolarHBondContact O-CB 3.36Å; F12-L15 PolarHBondContact O-N 3.45Å; L15-T18 PolarHBondContact O-OG1 2.95Å
16	T	45.8	Very low	58.6	Low	87 Å²	87	86.9 Å²	86.9	53%	0.534	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-13.4	166.7	36.5	0	0	0	0	114.3	G13 R14	G13-T16 PolarHBondContact O-OG1 3.03Å; R14-T16 VanDerWaalsContact C-N 3.32Å
17	S	45.3	Very low	60.1	Low	47 Å²	47	82.9 Å²	82.9	33%	0.329	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.2	6.3	-170	-151.1	0	0	0	0	114.7	G13 R14 R19	G13-S17 WeakPolarHBondContact O-CB 3.07Å; R14-S17 CarbonylContact O-C 3.58Å; R14-S17 PolarHBondContact O-N 3.44Å; S17-R19 PolarHBondContact O-N 2.87Å
18	T	39.7	Very low	61.9	Low	105 Å²	105	76.2 Å²	76.2	64%	0.644	37%	0.373	S	S	*	.	S	Bend	trans	-72.5	2.3	-165.4	1.4	0	0	0	0	116	R14 L15	R14-T18 WeakPolarHBondContact O-CB 3.41Å; R14-T18 WeakPolarHBondContact O-CG2 3.4Å; R14-T18 PolarHBondContact O-N 2.94Å; R14-T18 PolarHBondContact O-OG1 3.39Å; L15-T18 PolarHBondContact O-OG1 2.95Å
19	R	48.2	Very low	63.3	Low	218 Å²	218	72.5 Å²	72.5	82%	0.823	36%	0.356	S	S	*	.	S	Bend	trans	-157.3	113	148.7	-99.2	165.5	-152.1	-144.3	3.6	105.9	S17 R21	S17-R19 PolarHBondContact O-N 2.87Å; R19-R21 PolarHBondContact O-N 3.09Å
20	L	52.4	Low	65	Low	95 Å²	95	67.3 Å²	67.3	50%	0.497	33%	0.329	S	S	.	.			trans	-57.7	109.8	171.6	-174.2	69.5	0	0	0	107.5	S22	L20-S22 PolarHBondContact O-N 3.32Å; L20-S22 PolarHBondContact O-OG 3.06Å
21	R	60.3	Low	66.8	Low	87 Å²	87	65 Å²	65	33%	0.328	31%	0.313	S	S	.	.			trans	-95.3	106.8	-163.4	-152.8	-168.9	159.1	138.1	-19.1	109.1	R19 D23	R19-R21 PolarHBondContact O-N 3.09Å; R21-D23 WeakPolarHBondContact CD-OD1 3.49Å; R21-D23 WeakPolarHBondContact CG-OD1 3.33Å; R21-D23 IonicContact CZ-OD2 3.62Å; R21-D23 VanDerWaalsContact NE-CG 3.33Å; R21-D23 IonicContact NE-OD1 3.75Å; R21-D23 PolarHBondContact NE-OD1 2.81Å; R21-D23 IonicContact NE-OD2 2.71Å; R21-D23 PolarHBondContact NE-OD2 3.11Å; R21-D23 IonicContact NH2-OD2 3.73Å; R21-D23 PolarHBondContact NH2-OD2 2.94Å; R21-D23 VanDerWaalsContact NH2-OD2 3.1Å; R21-D23 PolarHBondContact O-N 3.19Å
22	S	69	Low	68.5	Low	19 Å²	19	60.7 Å²	60.7	13%	0.133	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82	35.3	-168.3	-30.5	0	0	0	0	113.5	L20 N613 Y614	L20-S22 PolarHBondContact O-N 3.32Å; L20-S22 PolarHBondContact O-OG 3.06Å; S22-N613 WeakPolarHBondContact CA-OD1 3.5Å; S22-N613 WeakPolarHBondContact CB-OD1 3.25Å; S22-N613 PolarHBondContact O-ND2 2.86Å; S22-Y614 VanDerWaalsContact CB-OH 3.28Å; S22-Y614 WeakPolarHBondContact CB-OH 3.42Å; S22-Y614 PolarHBondContact OG-OH 2.9Å; S22-Y614 VanDerWaalsContact OG-OH 3.11Å
23	D	79.1	Confident	70	Confident	5 Å²	5	55.2 Å²	55.2	3%	0.027	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	2.8	169	46.8	0.6	0	0	0	113.7	R21 W163 V174 M178 L609	R21-D23 WeakPolarHBondContact CD-OD1 3.49Å; R21-D23 WeakPolarHBondContact CG-OD1 3.33Å; R21-D23 IonicContact CZ-OD2 3.62Å; R21-D23 VanDerWaalsContact NE-CG 3.33Å; R21-D23 IonicContact NE-OD1 3.75Å; R21-D23 PolarHBondContact NE-OD1 2.81Å; R21-D23 IonicContact NE-OD2 2.71Å; R21-D23 PolarHBondContact NE-OD2 3.11Å; R21-D23 IonicContact NH2-OD2 3.73Å; R21-D23 PolarHBondContact NH2-OD2 2.94Å; R21-D23 VanDerWaalsContact NH2-OD2 3.1Å; R21-D23 PolarHBondContact O-N 3.19Å; D23-W163 PolarHBondContact O-NE1 3.34Å; D23-V174 HydrophobicContact CB-CG1 3.9Å; D23-M178 HydrophobicContact CB-CG 4.13Å; D23-L609 HydrophobicContact CB-CD2 4.43Å
24	D	83.2	Confident	72.1	Confident	2 Å²	2	59 Å²	59	1%	0.011	28%	0.281	C	S	.	.	S	Bend	trans	-125.7	149.7	-177.4	-64.1	-31.6	0	0	0	112.8	D28 R29 Y32 W163 R164	D24-D28 HydrophobicContact CB-CB 4.19Å; D24-R29 HydrophobicContact CB-CG 4.48Å; D24-R29 PolarHBondContact O-NE 3.34Å; D24-R29 PolarHBondContact O-NH2 3.45Å; D24-Y32 HydrophobicContact CB-CE1 4.28Å; D24-Y32 WeakPolarHBondContact OD2-CE1 3.36Å; D24-W163 PolarHBondContact OD1-NE1 3.07Å; D24-W163 VanDerWaalsContact OD1-NE1 3.12Å; D24-R164 IonicContact OD2-NH2 2.65Å
25	D	86.8	Confident	74.4	Confident	15 Å²	15	53.7 Å²	53.7	8%	0.08	26%	0.261	C	S	.	.			trans	-78.5	164.2	178.2	-170.3	-0.6	0	0	0	112.6	A27 D28 R29 Y455 K459 S556 W560 Q612	D25-A27 VanDerWaalsContact C-N 3.33Å; D25-A27 PolarHBondContact O-N 2.9Å; D25-D28 HydrophobicContact CB-CB 4.35Å; D25-D28 WeakPolarHBondContact CB-OD2 3.42Å; D25-D28 PolarHBondContact N-OD2 3.48Å; D25-D28 WeakPolarHBondContact O-CB 3.29Å; D25-D28 PolarHBondContact O-N 3.03Å; D25-D28 VanDerWaalsContact O-N 3.11Å; D25-R29 WeakPolarHBondContact O-CG 3.18Å; D25-R29 PolarHBondContact O-N 3.02Å; D25-Y455 WeakPolarHBondContact CB-OH 3.25Å; D25-K459 IonicContact OD2-NZ 3.16Å; D25-K459 PolarHBondContact OD2-NZ 2.87Å; D25-S556 PolarHBondContact OD2-OG 3.31Å; D25-W560 PolarHBondContact OD2-NE1 3.09Å; D25-Q612 PolarHBondContact OD1-NE2 2.94Å
26	F	88.1	Confident	76.5	Confident	127 Å²	127	48.1 Å²	48.1	56%	0.557	23%	0.233	S	C	*	.	H	α-helix	trans	-57.6	-45	174.2	175.7	-98.8	0	0	0	111.7	D28 R29 L30	F26-D28 VanDerWaalsContact C-N 3.28Å; F26-D28 PolarHBondContact O-N 3.09Å; F26-R29 PolarHBondContact O-N 2.99Å; F26-L30 PolarHBondContact O-N 3.01Å
27	A	91.8	Very high	78.5	Confident	3 Å²	3	47.7 Å²	47.7	3%	0.025	23%	0.227	C	C	.	.	H	α-helix	trans	-63.5	-31.9	176.4	0	0	0	0	0	113	D25 N31 V552 S556	D25-A27 VanDerWaalsContact C-N 3.33Å; D25-A27 PolarHBondContact O-N 2.9Å; A27-N31 PolarHBondContact O-N 2.77Å; A27-N31 PolarHBondContact O-ND2 3.06Å; A27-V552 HydrophobicContact CB-CG1 3.9Å; A27-S556 VanDerWaalsContact CB-CB 3.44Å
28	D	91.3	Very high	80.8	Confident	3 Å²	3	47 Å²	47	2%	0.016	22%	0.219	C	C	.	.	H	α-helix	trans	-69.1	-45.2	176.1	-57.3	-28.9	0	0	0	109.7	D24 D25 F26 L30 N31 Y32 Y455 K459 Y462	D24-D28 HydrophobicContact CB-CB 4.19Å; D25-D28 HydrophobicContact CB-CB 4.35Å; D25-D28 WeakPolarHBondContact CB-OD2 3.42Å; D25-D28 PolarHBondContact N-OD2 3.48Å; D25-D28 WeakPolarHBondContact O-CB 3.29Å; D25-D28 PolarHBondContact O-N 3.03Å; D25-D28 VanDerWaalsContact O-N 3.11Å; F26-D28 VanDerWaalsContact C-N 3.28Å; F26-D28 PolarHBondContact O-N 3.09Å; D28-L30 VanDerWaalsContact C-N 3.33Å; D28-L30 PolarHBondContact O-N 3.35Å; D28-N31 WeakPolarHBondContact O-CB 3.5Å; D28-N31 PolarHBondContact O-N 3.15Å; D28-Y32 WeakPolarHBondContact O-CD1 3.11Å; D28-Y32 PolarHBondContact O-N 2.99Å; D28-Y32 VanDerWaalsContact O-N 3.12Å; D28-Y455 PolarHBondContact OD2-OH 3.37Å; D28-K459 VanDerWaalsContact CG-NZ 3.27Å; D28-K459 WeakPolarHBondContact OD1-CE 3.48Å; D28-K459 IonicContact OD1-NZ 3.21Å; D28-K459 PolarHBondContact OD1-NZ 2.92Å; D28-K459 IonicContact OD2-NZ 3.57Å; D28-K459 PolarHBondContact OD2-NZ 3.43Å; D28-Y462 HydrophobicContact CB-CE2 3.94Å
29	R	89.8	Confident	83.4	Confident	35 Å²	35	42 Å²	42	13%	0.132	19%	0.188	C	C	.	.	H	α-helix	trans	-62	-38.9	175.5	-62.5	171.5	-157.8	-175.4	6.9	111.9	D24 D25 F26 N31 Y32 Q33 F34 N613	D24-R29 HydrophobicContact CB-CG 4.48Å; D24-R29 PolarHBondContact O-NE 3.34Å; D24-R29 PolarHBondContact O-NH2 3.45Å; D25-R29 WeakPolarHBondContact O-CG 3.18Å; D25-R29 PolarHBondContact O-N 3.02Å; F26-R29 PolarHBondContact O-N 2.99Å; R29-N31 PolarHBondContact O-N 3.47Å; R29-Y32 HydrophobicContact CB-CE1 4.41Å; R29-Y32 HydrophobicContact CG-CE1 4.06Å; R29-Q33 WeakPolarHBondContact O-CA 3.42Å; R29-Q33 VanDerWaalsContact O-CB 3.25Å; R29-Q33 WeakPolarHBondContact O-CB 3.28Å; R29-Q33 PolarHBondContact O-N 2.73Å; R29-F34 HydrophobicContact CB-CE2 4.47Å; R29-F34 PolarHBondContact O-N 3.46Å; R29-F34 VanDerWaalsContact O-N 3.08Å; R29-N613 PolarHBondContact NH2-OD1 3.34Å
30	L	91.8	Very high	85.4	Confident	11 Å²	11	37.7 Å²	37.7	6%	0.058	18%	0.176	C	C	.	.	I	π-helix	trans	-56.5	-35.6	176.2	-171.4	65.5	0	0	0	111.9	F26 D28 F34 T35 W545 V549 V552	F26-L30 PolarHBondContact O-N 3.01Å; D28-L30 VanDerWaalsContact C-N 3.33Å; D28-L30 PolarHBondContact O-N 3.35Å; L30-F34 HydrophobicContact CD1-CB 4.17Å; L30-T35 WeakPolarHBondContact O-CB 3.35Å; L30-T35 PolarHBondContact O-N 2.65Å; L30-T35 PolarHBondContact O-OG1 2.71Å; L30-W545 HydrophobicContact CD1-CH2 4.01Å; L30-W545 HydrophobicContact CD1-CZ2 3.81Å; L30-V549 HydrophobicContact CD2-CB 4.45Å; L30-V549 HydrophobicContact CD2-CG1 4.4Å; L30-V549 HydrophobicContact CD2-CG2 3.94Å; L30-V549 HydrophobicContact CG-CG1 4.45Å; L30-V549 HydrophobicContact CG-CG2 3.94Å; L30-V552 HydrophobicContact CD2-CB 3.95Å; L30-V552 HydrophobicContact CD2-CG1 3.76Å; L30-V552 HydrophobicContact CD2-CG2 4.24Å
31	N	92.6	Very high	87.3	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.175	C	C	.	.	I	π-helix	trans	-74.5	-74.9	173.8	-76.7	-104.1	0	0	0	111.6	A27 D28 R29 Q33 T35 G36 F156 Y462 V466 V549 T553	A27-N31 PolarHBondContact O-N 2.77Å; A27-N31 PolarHBondContact O-ND2 3.06Å; D28-N31 WeakPolarHBondContact O-CB 3.5Å; D28-N31 PolarHBondContact O-N 3.15Å; R29-N31 PolarHBondContact O-N 3.47Å; N31-Q33 VanDerWaalsContact C-N 3.31Å; N31-Q33 PolarHBondContact O-N 2.91Å; N31-T35 WeakPolarHBondContact O-CB 3.38Å; N31-T35 PolarHBondContact O-N 3.45Å; N31-G36 PolarHBondContact O-N 2.8Å; N31-F156 HydrophobicContact CB-CD1 4.05Å; N31-Y462 HydrophobicContact CB-CD1 3.54Å; N31-Y462 HydrophobicContact CB-CE1 3.54Å; N31-V466 WeakPolarHBondContact OD1-CG2 3.33Å; N31-V549 WeakPolarHBondContact ND2-CG1 3.04Å; N31-T553 WeakPolarHBondContact ND2-CG2 3.47Å
32	Y	89.2	Confident	88.9	Confident	22 Å²	22	34.2 Å²	34.2	9%	0.086	17%	0.165	C	C	.	.	I	π-helix	trans	-72.4	-23.3	-165	81.5	-100.8	0	0	0	113.8	D24 D28 R29 F156 Y157 C160 Y462	D24-Y32 HydrophobicContact CB-CE1 4.28Å; D24-Y32 WeakPolarHBondContact OD2-CE1 3.36Å; D28-Y32 WeakPolarHBondContact O-CD1 3.11Å; D28-Y32 PolarHBondContact O-N 2.99Å; D28-Y32 VanDerWaalsContact O-N 3.12Å; R29-Y32 HydrophobicContact CB-CE1 4.41Å; R29-Y32 HydrophobicContact CG-CE1 4.06Å; Y32-F156 WeakPolarHBondContact CA-O 3.34Å; Y32-F156 WeakPolarHBondContact CB-O 2.99Å; Y32-Y157 HydrophobicContact CD2-CD2 4.48Å; Y32-C160 HydrophobicContact CD1-CB 3.9Å; Y32-C160 VanDerWaalsContact CD1-SG 3.57Å; Y32-C160 HydrophobicContact CD2-CB 4.47Å; Y32-C160 HydrophobicContact CG-CB 3.8Å; Y32-Y462 WeakPolarHBondContact CD1-OH 3.47Å
33	Q	87.5	Confident	90	Very high	26 Å²	26	35 Å²	35	12%	0.121	17%	0.168	C	C	.	.	I	π-helix	trans	-105.3	-58.2	-174.7	-171.3	172.5	-14.4	0	0	111.8	R29 N31 L37	R29-Q33 WeakPolarHBondContact O-CA 3.42Å; R29-Q33 VanDerWaalsContact O-CB 3.25Å; R29-Q33 WeakPolarHBondContact O-CB 3.28Å; R29-Q33 PolarHBondContact O-N 2.73Å; N31-Q33 VanDerWaalsContact C-N 3.31Å; N31-Q33 PolarHBondContact O-N 2.91Å; Q33-L37 WeakPolarHBondContact O-CB 3.33Å; Q33-L37 PolarHBondContact O-N 3.34Å
34	F	90	Very high	90.6	Very high	99 Å²	99	36.4 Å²	36.4	43%	0.434	18%	0.184	S	C	.	.	I	π-helix	trans	-73.9	-51	-175.5	-70.4	-84.1	0	0	0	112	R29 L30 G36 L37 L38 W545	R29-F34 HydrophobicContact CB-CE2 4.47Å; R29-F34 PolarHBondContact O-N 3.46Å; R29-F34 VanDerWaalsContact O-N 3.08Å; L30-F34 HydrophobicContact CD1-CB 4.17Å; F34-G36 PolarHBondContact O-N 3Å; F34-L37 PolarHBondContact O-N 3.35Å; F34-L38 VanDerWaalsContact O-CB 3.23Å; F34-L38 WeakPolarHBondContact O-CB 3.35Å; F34-L38 PolarHBondContact O-N 3.11Å; F34-W545 HydrophobicContact CB-CZ2 4.45Å
35	T	93.6	Very high	91	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.201	C	C	.	.	I	π-helix	trans	-65.7	-40.3	178.8	-52.1	0	0	0	0	111.6	L30 N31 L38 L39 F156 W545 F546	L30-T35 WeakPolarHBondContact O-CB 3.35Å; L30-T35 PolarHBondContact O-N 2.65Å; L30-T35 PolarHBondContact O-OG1 2.71Å; N31-T35 WeakPolarHBondContact O-CB 3.38Å; N31-T35 PolarHBondContact O-N 3.45Å; T35-L38 PolarHBondContact O-N 2.7Å; T35-L39 HydrophobicContact CG2-CD1 4.16Å; T35-L39 WeakPolarHBondContact O-CG 3.33Å; T35-L39 PolarHBondContact O-N 3.21Å; T35-F156 HydrophobicContact CG2-CD1 4.18Å; T35-F156 HydrophobicContact CG2-CD2 3.83Å; T35-F156 HydrophobicContact CG2-CE1 3.94Å; T35-F156 HydrophobicContact CG2-CE2 3.56Å; T35-F156 HydrophobicContact CG2-CG 4.14Å; T35-F156 HydrophobicContact CG2-CZ 3.63Å; T35-W545 PolarHBondContact OG1-NE1 3.42Å; T35-F546 HydrophobicContact CG2-CD1 4.15Å; T35-F546 HydrophobicContact CG2-CE1 3.72Å
36	G	90.4	Very high	91.3	Very high	5 Å²	5	39.2 Å²	39.2	5%	0.052	20%	0.198	C	C	.	.	H	α-helix	trans	-58.6	-46.8	172.6	0	0	0	0	0	113.4	N31 F34 L39 F40 S153	N31-G36 PolarHBondContact O-N 2.8Å; F34-G36 PolarHBondContact O-N 3Å; G36-L39 PolarHBondContact O-N 2.97Å; G36-F40 WeakPolarHBondContact O-CD2 3.45Å; G36-F40 PolarHBondContact O-N 2.96Å; G36-S153 PolarHBondContact O-OG 3.46Å
37	L	88.9	Confident	91.4	Very high	78 Å²	78	33.8 Å²	33.8	41%	0.408	18%	0.178	S	C	.	.	H	α-helix	trans	-63	-42.8	176.6	177.8	62.9	0	0	0	112.2	Q33 F34 F40 V41	Q33-L37 WeakPolarHBondContact O-CB 3.33Å; Q33-L37 PolarHBondContact O-N 3.34Å; F34-L37 PolarHBondContact O-N 3.35Å; L37-F40 PolarHBondContact O-N 2.84Å; L37-V41 WeakPolarHBondContact O-CG2 3.25Å; L37-V41 PolarHBondContact O-N 3.41Å
38	L	93.2	Very high	91.3	Very high	31 Å²	31	38.4 Å²	38.4	16%	0.162	20%	0.201	C	C	.	.	H	α-helix	trans	-61.8	-41.9	178	174	156.5	0	0	0	111.6	F34 T35 V41 F42 F541 L542 W545	F34-L38 VanDerWaalsContact O-CB 3.23Å; F34-L38 WeakPolarHBondContact O-CB 3.35Å; F34-L38 PolarHBondContact O-N 3.11Å; T35-L38 PolarHBondContact O-N 2.7Å; L38-V41 PolarHBondContact O-N 3.12Å; L38-F42 HydrophobicContact CD2-CD2 3.92Å; L38-F42 HydrophobicContact CD2-CE2 3.62Å; L38-F42 HydrophobicContact CG-CD2 4.5Å; L38-F42 HydrophobicContact CG-CE2 4.05Å; L38-F42 WeakPolarHBondContact O-CD2 3.48Å; L38-F42 PolarHBondContact O-N 3.5Å; L38-F42 VanDerWaalsContact O-N 3.11Å; L38-F541 HydrophobicContact CD1-CE1 3.95Å; L38-F541 HydrophobicContact CD1-CZ 4.27Å; L38-F541 HydrophobicContact CD2-CE1 4.31Å; L38-F541 HydrophobicContact CG-CE1 4.33Å; L38-L542 HydrophobicContact CD2-CD2 3.53Å; L38-W545 HydrophobicContact CD1-CD2 3.7Å; L38-W545 HydrophobicContact CD1-CE3 4.07Å; L38-W545 HydrophobicContact CD1-CG 4.12Å; L38-W545 HydrophobicContact CD1-CH2 4.34Å; L38-W545 HydrophobicContact CD1-CZ2 3.99Å; L38-W545 HydrophobicContact CD1-CZ3 4.37Å
39	L	93.4	Very high	91.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-64.1	-42.6	172	-71.3	167.2	0	0	0	112.1	T35 G36 V41 F42 I43 L149 Q152 F156 L542 F546	T35-L39 HydrophobicContact CG2-CD1 4.16Å; T35-L39 WeakPolarHBondContact O-CG 3.33Å; T35-L39 PolarHBondContact O-N 3.21Å; G36-L39 PolarHBondContact O-N 2.97Å; L39-V41 VanDerWaalsContact C-N 3.29Å; L39-V41 PolarHBondContact O-N 3.12Å; L39-F42 PolarHBondContact O-N 3.46Å; L39-I43 VanDerWaalsContact O-CG1 3.31Å; L39-I43 WeakPolarHBondContact O-CG1 3.4Å; L39-I43 PolarHBondContact O-N 3.18Å; L39-L149 HydrophobicContact CD2-CD2 3.63Å; L39-Q152 HydrophobicContact CD1-CB 4.04Å; L39-F156 HydrophobicContact CD1-CD2 3.7Å; L39-F156 HydrophobicContact CD1-CE2 4.02Å; L39-L542 HydrophobicContact CD2-CD1 4.12Å; L39-L542 HydrophobicContact CD2-CD2 3.7Å; L39-F546 HydrophobicContact CD2-CZ 4.25Å
40	F	90.3	Very high	91	Very high	129 Å²	129	44 Å²	44	57%	0.566	22%	0.223	S	C	*	.	H	α-helix	trans	-61.3	-34.1	173.9	-81.8	-62.8	0	0	0	113.4	G36 L37 I43 G44 S153	G36-F40 WeakPolarHBondContact O-CD2 3.45Å; G36-F40 PolarHBondContact O-N 2.96Å; L37-F40 PolarHBondContact O-N 2.84Å; F40-I43 HydrophobicContact CD1-CD1 4.19Å; F40-G44 PolarHBondContact O-N 3.14Å; F40-G44 VanDerWaalsContact O-N 3.14Å; F40-S153 VanDerWaalsContact CE2-OG 3.24Å; F40-S153 WeakPolarHBondContact CE2-OG 3.41Å
41	V	92.1	Very high	90.7	Very high	78 Å²	78	53 Å²	53	47%	0.473	26%	0.258	S	S	.	.	H	α-helix	trans	-66.5	-43.8	173.6	170.2	0	0	0	0	111.1	L37 L38 L39 G44 I45	L37-V41 WeakPolarHBondContact O-CG2 3.25Å; L37-V41 PolarHBondContact O-N 3.41Å; L38-V41 PolarHBondContact O-N 3.12Å; L39-V41 VanDerWaalsContact C-N 3.29Å; L39-V41 PolarHBondContact O-N 3.12Å; V41-G44 PolarHBondContact O-N 3.48Å; V41-I45 HydrophobicContact CG1-CD1 3.82Å; V41-I45 HydrophobicContact CG1-CG1 4.49Å; V41-I45 WeakPolarHBondContact O-CG1 3.34Å; V41-I45 PolarHBondContact O-N 3.28Å
42	F	94.2	Very high	90.3	Very high	30 Å²	30	58.9 Å²	58.9	13%	0.132	29%	0.293	C	S	.	.	H	α-helix	trans	-66.8	-37.8	176.6	-71.1	-50.4	0	0	0	113.6	L38 L39 G44 I45 I46 L149 I538 F541 L542	L38-F42 HydrophobicContact CD2-CD2 3.92Å; L38-F42 HydrophobicContact CD2-CE2 3.62Å; L38-F42 HydrophobicContact CG-CD2 4.5Å; L38-F42 HydrophobicContact CG-CE2 4.05Å; L38-F42 WeakPolarHBondContact O-CD2 3.48Å; L38-F42 PolarHBondContact O-N 3.5Å; L38-F42 VanDerWaalsContact O-N 3.11Å; L39-F42 PolarHBondContact O-N 3.46Å; F42-G44 PolarHBondContact O-N 3.2Å; F42-I45 HydrophobicContact CD1-CD1 4.13Å; F42-I45 PolarHBondContact O-N 3.29Å; F42-I46 WeakPolarHBondContact O-CB 3.36Å; F42-I46 WeakPolarHBondContact O-CG1 3.37Å; F42-I46 PolarHBondContact O-N 3.19Å; F42-L149 HydrophobicContact CB-CD1 4.22Å; F42-I538 HydrophobicContact CB-CG2 4.2Å; F42-I538 HydrophobicContact CD1-CB 4.49Å; F42-I538 HydrophobicContact CD1-CD1 3.92Å; F42-I538 HydrophobicContact CD1-CG1 3.81Å; F42-I538 HydrophobicContact CD1-CG2 3.91Å; F42-I538 HydrophobicContact CD2-CG2 4.06Å; F42-I538 HydrophobicContact CE1-CD1 4.48Å; F42-I538 HydrophobicContact CE1-CG1 3.93Å; F42-I538 HydrophobicContact CE1-CG2 4.29Å; F42-I538 HydrophobicContact CE2-CG2 4.4Å; F42-I538 HydrophobicContact CG-CG2 3.81Å; F42-F541 AromaticContact CE2-CD1 3.61Å; F42-F541 HydrophobicContact CE2-CD1 3.61Å; F42-F541 AromaticContact CE2-CE1 3.69Å; F42-F541 HydrophobicContact CE2-CE1 3.69Å; F42-F541 AromaticContact CZ-CD1 3.45Å; F42-F541 HydrophobicContact CZ-CD1 3.45Å; F42-F541 VanDerWaalsContact CZ-CD1 3.45Å; F42-F541 AromaticContact CZ-CE1 3.61Å; F42-F541 HydrophobicContact CZ-CE1 3.61Å; F42-F541 HydrophobicContact CZ-CG 4.42Å; F42-L542 HydrophobicContact CD2-CD1 4.35Å; F42-L542 HydrophobicContact CD2-CD2 4Å; F42-L542 HydrophobicContact CD2-CG 4.24Å; F42-L542 HydrophobicContact CE2-CD2 3.94Å; F42-L542 HydrophobicContact CE2-CG 4.15Å
43	I	93.5	Very high	90	Very high	36 Å²	36	59.7 Å²	59.7	19%	0.185	31%	0.308	C	S	.	.	H	α-helix	trans	-56.3	-43.3	170.9	-66.2	163.9	0	0	0	110.2	L39 F40 G47 P146 L149 A150	L39-I43 VanDerWaalsContact O-CG1 3.31Å; L39-I43 WeakPolarHBondContact O-CG1 3.4Å; L39-I43 PolarHBondContact O-N 3.18Å; F40-I43 HydrophobicContact CD1-CD1 4.19Å; I43-G47 PolarHBondContact O-N 3.04Å; I43-P146 HydrophobicContact CG2-CB 4.45Å; I43-L149 HydrophobicContact CD1-CB 3.99Å; I43-L149 HydrophobicContact CG1-CB 3.57Å; I43-L149 HydrophobicContact CG1-CD1 4.29Å; I43-A150 HydrophobicContact CD1-CB 3.96Å
44	G	91.5	Very high	89.9	Confident	35 Å²	35	63.4 Å²	63.4	36%	0.361	32%	0.324	S	S	.	.	H	α-helix	trans	-63.1	-44.3	175.2	0	0	0	0	0	113.5	F40 V41 F42 I48	F40-G44 PolarHBondContact O-N 3.14Å; F40-G44 VanDerWaalsContact O-N 3.14Å; V41-G44 PolarHBondContact O-N 3.48Å; F42-G44 PolarHBondContact O-N 3.2Å; G44-I48 WeakPolarHBondContact O-CD1 3.3Å; G44-I48 VanDerWaalsContact O-CG1 3.24Å; G44-I48 WeakPolarHBondContact O-CG1 3.43Å; G44-I48 PolarHBondContact O-N 3.4Å
45	I	91.5	Very high	89.8	Confident	72 Å²	72	60 Å²	60	37%	0.369	31%	0.311	S	S	.	.	H	α-helix	trans	-65.2	-46.5	179.9	-68.7	165.6	0	0	0	111.4	V41 F42 I48 R49	V41-I45 HydrophobicContact CG1-CD1 3.82Å; V41-I45 HydrophobicContact CG1-CG1 4.49Å; V41-I45 WeakPolarHBondContact O-CG1 3.34Å; V41-I45 PolarHBondContact O-N 3.28Å; F42-I45 HydrophobicContact CD1-CD1 4.13Å; F42-I45 PolarHBondContact O-N 3.29Å; I45-I48 PolarHBondContact O-N 3.44Å; I45-R49 PolarHBondContact O-N 2.87Å
46	I	91.9	Very high	89.7	Confident	3 Å²	3	60 Å²	60	2%	0.015	31%	0.312	C	S	.	.	H	α-helix	trans	-66.8	-43.6	178.5	-64.6	163.6	0	0	0	110	F42 I48 R49 Q50 P146 L149 I531 L535 I538	F42-I46 WeakPolarHBondContact O-CB 3.36Å; F42-I46 WeakPolarHBondContact O-CG1 3.37Å; F42-I46 PolarHBondContact O-N 3.19Å; I46-I48 PolarHBondContact O-N 3.19Å; I46-R49 WeakPolarHBondContact O-CB 3.45Å; I46-R49 PolarHBondContact O-N 3.28Å; I46-R49 VanDerWaalsContact O-N 3.08Å; I46-Q50 HydrophobicContact CG2-CG 4.35Å; I46-Q50 WeakPolarHBondContact O-CG 3.49Å; I46-Q50 PolarHBondContact O-N 2.89Å; I46-P146 HydrophobicContact CG2-CG 4.01Å; I46-L149 HydrophobicContact CD1-CD1 3.48Å; I46-L149 VanDerWaalsContact CD1-CD1 3.48Å; I46-I531 HydrophobicContact CG2-CD1 4.26Å; I46-L535 HydrophobicContact CD1-CD2 3.78Å; I46-L535 HydrophobicContact CG1-CD2 4.22Å; I46-L535 HydrophobicContact CG2-CD2 4.47Å; I46-I538 HydrophobicContact CD1-CD1 3.92Å; I46-I538 HydrophobicContact CG1-CD1 3.74Å
47	G	90.7	Very high	89.9	Confident	13 Å²	13	64.5 Å²	64.5	13%	0.134	33%	0.331	C	S	.	.	H	α-helix	trans	-59	-43.6	175.8	0	0	0	0	0	112.8	I43 R49 Q50 Y51	I43-G47 PolarHBondContact O-N 3.04Å; G47-R49 VanDerWaalsContact C-N 3.28Å; G47-R49 PolarHBondContact O-N 3.02Å; G47-Q50 PolarHBondContact O-N 3.25Å; G47-Q50 VanDerWaalsContact O-N 3.17Å; G47-Y51 WeakPolarHBondContact O-CB 3.39Å; G47-Y51 WeakPolarHBondContact O-CD2 3.18Å; G47-Y51 PolarHBondContact O-N 3.17Å
48	I	89.2	Confident	90.1	Very high	100 Å²	100	61.4 Å²	61.4	51%	0.513	32%	0.316	S	S	.	.	H	α-helix	trans	-59.4	-40.2	174.5	-71.1	163.3	0	0	0	110.9	G44 I45 I46 V52	G44-I48 WeakPolarHBondContact O-CD1 3.3Å; G44-I48 VanDerWaalsContact O-CG1 3.24Å; G44-I48 WeakPolarHBondContact O-CG1 3.43Å; G44-I48 PolarHBondContact O-N 3.4Å; I45-I48 PolarHBondContact O-N 3.44Å; I46-I48 PolarHBondContact O-N 3.19Å; I48-V52 HydrophobicContact CG2-CG2 4.34Å; I48-V52 VanDerWaalsContact O-CB 3.26Å; I48-V52 WeakPolarHBondContact O-CB 3.39Å; I48-V52 WeakPolarHBondContact O-CG2 3.47Å; I48-V52 PolarHBondContact O-N 3.49Å
49	R	88.5	Confident	90.1	Very high	126 Å²	126	68.6 Å²	68.6	48%	0.475	34%	0.341	S	S	.	.	H	α-helix	trans	-68.7	-33.4	176.3	-78.4	-73.4	-178.8	158.2	-4.1	113.5	I45 I46 G47 F534	I45-R49 PolarHBondContact O-N 2.87Å; I46-R49 WeakPolarHBondContact O-CB 3.45Å; I46-R49 PolarHBondContact O-N 3.28Å; I46-R49 VanDerWaalsContact O-N 3.08Å; G47-R49 VanDerWaalsContact C-N 3.28Å; G47-R49 PolarHBondContact O-N 3.02Å; R49-F534 VanDerWaalsContact NH2-CZ 3.28Å
50	Q	87.4	Confident	90.1	Very high	29 Å²	29	70.1 Å²	70.1	14%	0.136	35%	0.351	C	S	.	.	H	α-helix	trans	-78.7	-34.4	178.4	-73.9	174.8	-32.4	0	0	114	I46 G47 W77 Y142 I531	I46-Q50 HydrophobicContact CG2-CG 4.35Å; I46-Q50 WeakPolarHBondContact O-CG 3.49Å; I46-Q50 PolarHBondContact O-N 2.89Å; G47-Q50 PolarHBondContact O-N 3.25Å; G47-Q50 VanDerWaalsContact O-N 3.17Å; Q50-W77 HydrophobicContact CG-CZ2 4.37Å; Q50-Y142 PolarHBondContact NE2-O 3.08Å; Q50-I531 HydrophobicContact CG-CD1 3.52Å
51	Y	84.4	Confident	90.1	Very high	202 Å²	202	65 Å²	65	79%	0.792	33%	0.33	S	S	*	.	H	α-helix	trans	-103.6	-15.3	-173.7	-67	-68.2	0	0	0	115	G47	G47-Y51 WeakPolarHBondContact O-CB 3.39Å; G47-Y51 WeakPolarHBondContact O-CD2 3.18Å; G47-Y51 PolarHBondContact O-N 3.17Å
52	V	85.4	Confident	90	Very high	122 Å²	122	71.1 Å²	71.1	74%	0.739	35%	0.354	S	S	*	.	H	α-helix	trans	-117.4	-14.9	-177.9	-167	0	0	0	0	112.6	I48	I48-V52 HydrophobicContact CG2-CG2 4.34Å; I48-V52 VanDerWaalsContact O-CB 3.26Å; I48-V52 WeakPolarHBondContact O-CB 3.39Å; I48-V52 WeakPolarHBondContact O-CG2 3.47Å; I48-V52 PolarHBondContact O-N 3.49Å
53	G	82.1	Confident	89.7	Confident	39 Å²	39	75 Å²	75	40%	0.402	37%	0.373	S	S	.	.	S	Bend	trans	-114	167	172.4	0	0	0	0	0	111.8	P55	G53-P55 WeakPolarHBondContact O-CD 3.38Å
54	K	85.4	Confident	89.5	Confident	104 Å²	104	74.1 Å²	74.1	45%	0.452	37%	0.367	S	S	.	.			trans	-67.4	120.9	161.5	-71.1	-160.9	172	-152.1	0	108.3	Q57 E73	K54-Q57 HydrophobicContact CB-CG 4.16Å; K54-Q57 HydrophobicContact CD-CG 4.21Å; K54-E73 WeakPolarHBondContact CE-OE2 3.26Å; K54-E73 VanDerWaalsContact NZ-CD 3.26Å; K54-E73 IonicContact NZ-OE1 4Å; K54-E73 PolarHBondContact NZ-OE1 3.04Å; K54-E73 VanDerWaalsContact NZ-OE1 3.1Å; K54-E73 IonicContact NZ-OE2 2.75Å; K54-E73 PolarHBondContact NZ-OE2 2.81Å
55	P	88.6	Confident	89.5	Confident	27 Å²	27	76.5 Å²	76.5	18%	0.175	38%	0.375	C	S	.	.	S	Bend	trans	-80.8	-23	-175.2	33.2	-36.3	0	0	0	112.8	G53 W77	G53-P55 WeakPolarHBondContact O-CD 3.38Å; P55-W77 HydrophobicContact CB-CD2 4.08Å; P55-W77 HydrophobicContact CB-CE3 3.84Å; P55-W77 HydrophobicContact CB-CH2 3.72Å; P55-W77 HydrophobicContact CB-CZ2 3.96Å; P55-W77 HydrophobicContact CB-CZ3 3.65Å; P55-W77 HydrophobicContact CG-CD2 3.78Å; P55-W77 HydrophobicContact CG-CE3 3.91Å; P55-W77 HydrophobicContact CG-CG 4.22Å; P55-W77 HydrophobicContact CG-CH2 4.46Å; P55-W77 HydrophobicContact CG-CZ2 4.35Å; P55-W77 HydrophobicContact CG-CZ3 4.25Å
56	I	91.8	Very high	89.6	Confident	2 Å²	2	82.7 Å²	82.7	1%	0.01	39%	0.394	C	S	.	.			trans	-138.3	155.3	176	-164.8	169.6	0	0	0	107.9	E73 C76 W77 T81 C527 V528 L529	I56-E73 HydrophobicContact CG2-CB 4.34Å; I56-E73 WeakPolarHBondContact CG2-O 3.21Å; I56-C76 HydrophobicContact CD1-CB 4.13Å; I56-W77 HydrophobicContact CB-CE3 4.13Å; I56-W77 HydrophobicContact CG2-CB 4Å; I56-W77 HydrophobicContact CG2-CE3 4.35Å; I56-T81 HydrophobicContact CD1-CG2 3.83Å; I56-C527 HydrophobicContact CD1-CB 3.71Å; I56-C527 HydrophobicContact CG1-CB 3.84Å; I56-V528 WeakPolarHBondContact CG1-O 3.45Å; I56-L529 HydrophobicContact CB-CD1 4.3Å; I56-L529 HydrophobicContact CD1-CD1 4.27Å; I56-L529 HydrophobicContact CG1-CD1 4.12Å
57	Q	93.3	Very high	89.6	Confident	98 Å²	98	85.8 Å²	85.8	46%	0.458	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	127.6	170.1	-63	-173.1	-97.7	0	0	108.9	K54 C527 V528	K54-Q57 HydrophobicContact CB-CG 4.16Å; K54-Q57 HydrophobicContact CD-CG 4.21Å; Q57-C527 CarbonylContact O-C 3.46Å; Q57-C527 WeakPolarHBondContact O-CA 3.45Å; Q57-V528 PolarHBondContact N-O 3.14Å; Q57-V528 PolarHBondContact O-N 2.89Å
58	C	94.6	Very high	89.6	Confident	14 Å²	14	90.3 Å²	90.3	10%	0.095	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	138.3	-173.1	-61.3	0	0	0	0	112.1	T60 E73 C527	C58-T60 PolarHBondContact O-N 3.25Å; C58-E73 HydrophobicContact CB-CG 4.36Å; C58-C527 HydrophobicContact CB-CB 4.12Å; C58-C527 WeakPolarHBondContact CB-SG 3.24Å; C58-C527 WeakPolarHBondContact SG-CB 3.35Å; C58-C527 CovalentContact SG-SG 2.05Å; C58-C527 PolarHBondContact SG-SG 3.26Å
59	W	93.5	Very high	89.8	Confident	182 Å²	182	88.9 Å²	88.9	69%	0.689	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.9	106.1	171.4	-72.1	71.1	0	0	0	108.7	Q526	W59-Q526 HydrophobicContact CB-CB 4.46Å; W59-Q526 PolarHBondContact N-O 2.71Å
60	T	91.8	Very high	90	Very high	32 Å²	32	88.1 Å²	88.1	20%	0.196	43%	0.426	C	S	.	.			trans	-103.2	153.9	-179.8	41.7	0	0	0	0	111.9	C58 F64 A72 L525	C58-T60 PolarHBondContact O-N 3.25Å; T60-F64 HydrophobicContact CG2-CD2 3.86Å; T60-F64 HydrophobicContact CG2-CE2 4.3Å; T60-A72 HydrophobicContact CG2-CB 4.16Å; T60-L525 HydrophobicContact CG2-CD1 4.26Å; T60-L525 HydrophobicContact CG2-CD2 4.29Å
61	P	90.9	Very high	90.2	Very high	21 Å²	21	92.6 Å²	92.6	14%	0.136	44%	0.443	C	S	.	.			trans	-61.1	146	173	-21.1	33	0	0	0	112	E63 F64 Y523 I802	P61-E63 HydrophobicContact CB-CG 3.8Å; P61-E63 PolarHBondContact O-N 3.04Å; P61-F64 HydrophobicContact CG-CE1 4.29Å; P61-F64 WeakPolarHBondContact O-CB 3.33Å; P61-F64 PolarHBondContact O-N 3.42Å; P61-Y523 HydrophobicContact CG-CD1 3.75Å; P61-Y523 HydrophobicContact CG-CE1 3.78Å; P61-I802 HydrophobicContact CG-CD1 4.44Å
62	Q	89.1	Confident	90.6	Very high	207 Å²	207	83 Å²	83	97%	0.967	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-13	-178.4	-64.4	-178	1	0	0	114.6	F64	Q62-F64 VanDerWaalsContact C-N 3.33Å
63	E	89.1	Confident	90.9	Very high	112 Å²	112	78.3 Å²	78.3	52%	0.523	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-12.8	172.4	52.8	149.6	-157.5	0	0	114.2	P61 K516 Y523	P61-E63 HydrophobicContact CB-CG 3.8Å; P61-E63 PolarHBondContact O-N 3.04Å; E63-K516 IonicContact OE1-NZ 3.3Å; E63-K516 PolarHBondContact OE1-NZ 3.49Å; E63-K516 IonicContact OE2-NZ 3.99Å; E63-K516 PolarHBondContact OE2-NZ 3.28Å; E63-Y523 PolarHBondContact OE1-OH 3.36Å
64	F	88.8	Confident	91.4	Very high	16 Å²	16	81.3 Å²	81.3	7%	0.07	38%	0.382	C	S	.	.			trans	-78.1	127.7	178.9	-79	23.3	0	0	0	110.2	T60 P61 Q62 W68 E69 F512 Y523	T60-F64 HydrophobicContact CG2-CD2 3.86Å; T60-F64 HydrophobicContact CG2-CE2 4.3Å; P61-F64 HydrophobicContact CG-CE1 4.29Å; P61-F64 WeakPolarHBondContact O-CB 3.33Å; P61-F64 PolarHBondContact O-N 3.42Å; Q62-F64 VanDerWaalsContact C-N 3.33Å; F64-W68 HydrophobicContact CB-CB 3.92Å; F64-W68 HydrophobicContact CD2-CB 3.9Å; F64-W68 HydrophobicContact CG-CB 3.94Å; F64-E69 HydrophobicContact CB-CG 4.32Å; F64-F512 HydrophobicContact CE2-CD1 4.25Å; F64-F512 AromaticContact CE2-CE1 3.83Å; F64-F512 HydrophobicContact CE2-CE1 3.83Å; F64-F512 HydrophobicContact CZ-CD1 4.29Å; F64-F512 AromaticContact CZ-CE1 3.94Å; F64-F512 HydrophobicContact CZ-CE1 3.94Å; F64-Y523 HydrophobicContact CE1-CD1 4.49Å; F64-Y523 AromaticContact CE1-CE1 3.99Å; F64-Y523 HydrophobicContact CE1-CE1 3.99Å; F64-Y523 HydrophobicContact CE1-CE2 4.42Å; F64-Y523 AromaticContact CE1-CZ 3.94Å; F64-Y523 HydrophobicContact CZ-CD1 4.27Å; F64-Y523 HydrophobicContact CZ-CD2 4.34Å; F64-Y523 HydrophobicContact CZ-CE1 4.2Å; F64-Y523 HydrophobicContact CZ-CE2 4.29Å; F64-Y523 HydrophobicContact CZ-CG 4.32Å
65	T	92	Very high	91.7	Very high	86 Å²	86	80.6 Å²	80.6	53%	0.528	38%	0.377	S	S	.	.			trans	-72.9	159.4	168.5	74.8	0	0	0	0	109.9	A67 W68 E69	T65-A67 PolarHBondContact O-N 2.97Å; T65-W68 CarbonylContact O-C 3.6Å; T65-W68 WeakPolarHBondContact O-CA 3.27Å; T65-W68 WeakPolarHBondContact O-CB 3.37Å; T65-W68 PolarHBondContact O-N 2.96Å; T65-E69 PolarHBondContact O-N 3.19Å
66	R	92.6	Very high	91.9	Very high	201 Å²	201	79.3 Å²	79.3	76%	0.758	37%	0.369	S	S	*	.	H	α-helix	trans	-51	-31.1	179.5	-65.5	-175	-179.8	166.2	2.3	114.9	E69 E70	R66-E69 WeakPolarHBondContact CA-OE2 3.41Å; R66-E69 WeakPolarHBondContact CG-OE2 3.4Å; R66-E69 PolarHBondContact O-N 2.85Å; R66-E70 WeakPolarHBondContact O-CB 2.78Å; R66-E70 WeakPolarHBondContact O-CG 3.37Å; R66-E70 PolarHBondContact O-N 3.45Å
67	A	91.9	Very high	91.8	Very high	69 Å²	69	81.4 Å²	81.4	57%	0.57	38%	0.376	S	S	*	.	H	α-helix	trans	-70	-33.7	175.1	0	0	0	0	0	112.7	T65 Y71	T65-A67 PolarHBondContact O-N 2.97Å; A67-Y71 WeakPolarHBondContact O-CB 3.26Å; A67-Y71 PolarHBondContact O-N 3.11Å
68	W	91.3	Very high	91.7	Very high	108 Å²	108	81.7 Å²	81.7	41%	0.409	38%	0.384	S	S	.	.	H	α-helix	trans	-74.5	-35.4	170.2	-77.4	99.6	0	0	0	112.2	F64 T65 Y71 A72 F512 A514	F64-W68 HydrophobicContact CB-CB 3.92Å; F64-W68 HydrophobicContact CD2-CB 3.9Å; F64-W68 HydrophobicContact CG-CB 3.94Å; T65-W68 CarbonylContact O-C 3.6Å; T65-W68 WeakPolarHBondContact O-CA 3.27Å; T65-W68 WeakPolarHBondContact O-CB 3.37Å; T65-W68 PolarHBondContact O-N 2.96Å; W68-Y71 AromaticContact CE3-CD1 3.94Å; W68-Y71 HydrophobicContact CE3-CD1 3.94Å; W68-Y71 HydrophobicContact CZ3-CD1 4Å; W68-Y71 HydrophobicContact CZ3-CE1 4.15Å; W68-Y71 PolarHBondContact O-N 2.83Å; W68-A72 VanDerWaalsContact O-CB 3.28Å; W68-A72 WeakPolarHBondContact O-CB 3.12Å; W68-A72 PolarHBondContact O-N 2.93Å; W68-F512 HydrophobicContact CE3-CE1 4.38Å; W68-F512 HydrophobicContact CE3-CZ 4.11Å; W68-F512 HydrophobicContact CZ3-CE1 4.41Å; W68-F512 HydrophobicContact CZ3-CZ 4.01Å; W68-A514 HydrophobicContact CZ3-CB 4.25Å
69	E	92.5	Very high	91.2	Very high	70 Å²	70	83.3 Å²	83.3	33%	0.327	40%	0.399	S	S	.	.	H	α-helix	trans	-59.6	-52	171.5	-58	179.7	141.8	0	0	111	F64 T65 R66 Y71 A72 E73	F64-E69 HydrophobicContact CB-CG 4.32Å; T65-E69 PolarHBondContact O-N 3.19Å; R66-E69 WeakPolarHBondContact CA-OE2 3.41Å; R66-E69 WeakPolarHBondContact CG-OE2 3.4Å; R66-E69 PolarHBondContact O-N 2.85Å; E69-Y71 PolarHBondContact O-N 3.35Å; E69-A72 PolarHBondContact O-N 3.38Å; E69-E73 PolarHBondContact O-N 3.4Å
70	E	92.5	Very high	90.7	Very high	109 Å²	109	75.7 Å²	75.7	51%	0.509	37%	0.373	S	S	.	.	H	α-helix	trans	-65.7	-35.8	178	-72.1	-179.9	177	0	0	112.2	R66 N74	R66-E70 WeakPolarHBondContact O-CB 2.78Å; R66-E70 WeakPolarHBondContact O-CG 3.37Å; R66-E70 PolarHBondContact O-N 3.45Å; E70-N74 WeakPolarHBondContact O-CB 3.44Å; E70-N74 PolarHBondContact O-N 2.82Å; E70-N74 PolarHBondContact O-ND2 3.12Å
71	Y	92.4	Very high	90.6	Very high	124 Å²	124	74.1 Å²	74.1	49%	0.486	36%	0.364	S	S	.	.	H	α-helix	trans	-64.7	-43.7	173.3	177.4	-118.8	0	0	0	111.8	A67 W68 E69 N74 Y75 F512	A67-Y71 WeakPolarHBondContact O-CB 3.26Å; A67-Y71 PolarHBondContact O-N 3.11Å; W68-Y71 AromaticContact CE3-CD1 3.94Å; W68-Y71 HydrophobicContact CE3-CD1 3.94Å; W68-Y71 HydrophobicContact CZ3-CD1 4Å; W68-Y71 HydrophobicContact CZ3-CE1 4.15Å; W68-Y71 PolarHBondContact O-N 2.83Å; E69-Y71 PolarHBondContact O-N 3.35Å; Y71-N74 PolarHBondContact O-N 3.23Å; Y71-Y75 VanDerWaalsContact O-CB 3.28Å; Y71-Y75 WeakPolarHBondContact O-CB 3.4Å; Y71-Y75 PolarHBondContact O-N 3.36Å; Y71-F512 AromaticContact CD1-CE2 3.89Å; Y71-F512 HydrophobicContact CD1-CE2 3.89Å; Y71-F512 AromaticContact CD1-CZ 3.67Å; Y71-F512 HydrophobicContact CD1-CZ 3.67Å; Y71-F512 AromaticContact CE1-CE2 3.52Å; Y71-F512 HydrophobicContact CE1-CE2 3.52Å; Y71-F512 AromaticContact CE1-CZ 3.57Å; Y71-F512 HydrophobicContact CE1-CZ 3.57Å
72	A	92.5	Very high	90.5	Very high	0 Å²	0	74.2 Å²	74.2	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-65.8	-45.2	177.1	0	0	0	0	0	112.4	T60 W68 E69 N74 Y75 C76 L525	T60-A72 HydrophobicContact CG2-CB 4.16Å; W68-A72 VanDerWaalsContact O-CB 3.28Å; W68-A72 WeakPolarHBondContact O-CB 3.12Å; W68-A72 PolarHBondContact O-N 2.93Å; E69-A72 PolarHBondContact O-N 3.38Å; A72-N74 VanDerWaalsContact C-N 3.35Å; A72-N74 PolarHBondContact O-N 2.8Å; A72-Y75 PolarHBondContact O-N 3.07Å; A72-C76 WeakPolarHBondContact O-CB 3.31Å; A72-C76 PolarHBondContact O-N 2.91Å; A72-C76 PolarHBondContact O-SG 3.34Å; A72-L525 HydrophobicContact CB-CD1 3.79Å
73	E	92.7	Very high	90.3	Very high	23 Å²	23	64.8 Å²	64.8	11%	0.107	32%	0.318	C	S	.	.	H	α-helix	trans	-57.9	-45.2	174.2	-77.3	-177.7	161.1	0	0	111.7	K54 I56 C58 E69 W77	K54-E73 WeakPolarHBondContact CE-OE2 3.26Å; K54-E73 VanDerWaalsContact NZ-CD 3.26Å; K54-E73 IonicContact NZ-OE1 4Å; K54-E73 PolarHBondContact NZ-OE1 3.04Å; K54-E73 VanDerWaalsContact NZ-OE1 3.1Å; K54-E73 IonicContact NZ-OE2 2.75Å; K54-E73 PolarHBondContact NZ-OE2 2.81Å; I56-E73 HydrophobicContact CG2-CB 4.34Å; I56-E73 WeakPolarHBondContact CG2-O 3.21Å; C58-E73 HydrophobicContact CB-CG 4.36Å; E69-E73 PolarHBondContact O-N 3.4Å; E73-W77 WeakPolarHBondContact O-CB 3.43Å; E73-W77 PolarHBondContact O-N 3.23Å
74	N	91.7	Very high	90	Very high	103 Å²	103	60.5 Å²	60.5	55%	0.551	30%	0.298	S	S	*	.	H	α-helix	trans	-69	-38.6	178	-78.9	-69.6	0	0	0	112.7	E70 Y71 A72 W77 V78	E70-N74 WeakPolarHBondContact O-CB 3.44Å; E70-N74 PolarHBondContact O-N 2.82Å; E70-N74 PolarHBondContact O-ND2 3.12Å; Y71-N74 PolarHBondContact O-N 3.23Å; A72-N74 VanDerWaalsContact C-N 3.35Å; A72-N74 PolarHBondContact O-N 2.8Å; N74-W77 PolarHBondContact O-N 3.17Å; N74-V78 WeakPolarHBondContact O-CG2 3.46Å; N74-V78 PolarHBondContact O-N 3.49Å
75	Y	92.2	Very high	89.3	Confident	89 Å²	89	62.4 Å²	62.4	35%	0.349	31%	0.307	S	S	.	.	H	α-helix	trans	-60.9	-52.7	174.8	178.1	-88.3	0	0	0	110.6	Y71 A72 W77 V78 A79 D511 F512	Y71-Y75 VanDerWaalsContact O-CB 3.28Å; Y71-Y75 WeakPolarHBondContact O-CB 3.4Å; Y71-Y75 PolarHBondContact O-N 3.36Å; A72-Y75 PolarHBondContact O-N 3.07Å; Y75-W77 VanDerWaalsContact C-N 3.28Å; Y75-W77 PolarHBondContact O-N 3.42Å; Y75-V78 PolarHBondContact O-N 3.01Å; Y75-A79 HydrophobicContact CD1-CB 4.2Å; Y75-A79 HydrophobicContact CE1-CB 3.84Å; Y75-A79 WeakPolarHBondContact O-CB 3.4Å; Y75-A79 PolarHBondContact O-N 3.21Å; Y75-D511 WeakPolarHBondContact CE1-O 3.38Å; Y75-F512 AromaticContact CD1-CD2 3.68Å; Y75-F512 HydrophobicContact CD1-CD2 3.68Å; Y75-F512 HydrophobicContact CD1-CE2 4.41Å; Y75-F512 HydrophobicContact CE1-CD2 4.05Å; Y75-F512 AromaticContact CG-CD2 3.93Å; Y75-F512 HydrophobicContact CG-CD2 3.93Å; Y75-F512 HydrophobicContact CG-CE2 4.21Å
76	C	91.7	Very high	88.1	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-63.6	-31	179.3	-65.4	0	0	0	0	113.1	I56 A72 V78 T81 C510	I56-C76 HydrophobicContact CD1-CB 4.13Å; A72-C76 WeakPolarHBondContact O-CB 3.31Å; A72-C76 PolarHBondContact O-N 2.91Å; A72-C76 PolarHBondContact O-SG 3.34Å; C76-V78 VanDerWaalsContact C-N 3.33Å; C76-V78 PolarHBondContact O-N 2.99Å; C76-T81 HydrophobicContact CB-CG2 4.41Å; C76-C510 WeakPolarHBondContact CA-SG 3.47Å; C76-C510 HydrophobicContact CB-CB 3.71Å; C76-C510 WeakPolarHBondContact CB-SG 3.3Å; C76-C510 WeakPolarHBondContact SG-CB 3.48Å; C76-C510 CovalentContact SG-SG 2.03Å; C76-C510 PolarHBondContact SG-SG 3.46Å
77	W	90.8	Very high	86.5	Confident	45 Å²	45	59.5 Å²	59.5	17%	0.17	31%	0.307	C	S	.	.	H	α-helix	trans	-63.5	-37.1	171.9	-179.5	-110.6	0	0	0	112.8	Q50 P55 I56 E73 N74 Y75 Y142 Q143 L529 I531	Q50-W77 HydrophobicContact CG-CZ2 4.37Å; P55-W77 HydrophobicContact CB-CD2 4.08Å; P55-W77 HydrophobicContact CB-CE3 3.84Å; P55-W77 HydrophobicContact CB-CH2 3.72Å; P55-W77 HydrophobicContact CB-CZ2 3.96Å; P55-W77 HydrophobicContact CB-CZ3 3.65Å; P55-W77 HydrophobicContact CG-CD2 3.78Å; P55-W77 HydrophobicContact CG-CE3 3.91Å; P55-W77 HydrophobicContact CG-CG 4.22Å; P55-W77 HydrophobicContact CG-CH2 4.46Å; P55-W77 HydrophobicContact CG-CZ2 4.35Å; P55-W77 HydrophobicContact CG-CZ3 4.25Å; I56-W77 HydrophobicContact CB-CE3 4.13Å; I56-W77 HydrophobicContact CG2-CB 4Å; I56-W77 HydrophobicContact CG2-CE3 4.35Å; E73-W77 WeakPolarHBondContact O-CB 3.43Å; E73-W77 PolarHBondContact O-N 3.23Å; N74-W77 PolarHBondContact O-N 3.17Å; Y75-W77 VanDerWaalsContact C-N 3.28Å; Y75-W77 PolarHBondContact O-N 3.42Å; W77-Y142 HydrophobicContact CD2-CE2 4.27Å; W77-Y142 AromaticContact CE3-CD2 3.98Å; W77-Y142 HydrophobicContact CE3-CD2 3.98Å; W77-Y142 AromaticContact CE3-CE2 3.54Å; W77-Y142 HydrophobicContact CE3-CE2 3.54Å; W77-Y142 AromaticContact CH2-CD2 3.45Å; W77-Y142 HydrophobicContact CH2-CD2 3.45Å; W77-Y142 VanDerWaalsContact CH2-CD2 3.45Å; W77-Y142 AromaticContact CH2-CE2 3.9Å; W77-Y142 HydrophobicContact CH2-CE2 3.9Å; W77-Y142 HydrophobicContact CZ2-CD2 4.29Å; W77-Y142 AromaticContact CZ3-CD2 3.25Å; W77-Y142 HydrophobicContact CZ3-CD2 3.25Å; W77-Y142 AromaticContact CZ3-CE2 3.32Å; W77-Y142 HydrophobicContact CZ3-CE2 3.32Å; W77-Y142 HydrophobicContact CZ3-CG 4.35Å; W77-Q143 PolarHBondContact O-NE2 3.18Å; W77-L529 HydrophobicContact CE3-CD1 4.49Å; W77-L529 HydrophobicContact CZ3-CD1 4.05Å; W77-I531 HydrophobicContact CH2-CD1 3.99Å; W77-I531 HydrophobicContact CH2-CG2 4.27Å; W77-I531 HydrophobicContact CZ3-CG2 4.09Å
78	V	90	Very high	84.7	Confident	104 Å²	104	64.7 Å²	64.7	63%	0.63	31%	0.311	S	S	*	.	H	α-helix	trans	-89.8	-43.4	-175.8	174.7	0	0	0	0	112.7	N74 Y75 C76 S80 Q143	N74-V78 WeakPolarHBondContact O-CG2 3.46Å; N74-V78 PolarHBondContact O-N 3.49Å; Y75-V78 PolarHBondContact O-N 3.01Å; C76-V78 VanDerWaalsContact C-N 3.33Å; C76-V78 PolarHBondContact O-N 2.99Å; V78-S80 PolarHBondContact O-N 3.49Å; V78-S80 VanDerWaalsContact O-N 3.12Å; V78-Q143 PolarHBondContact O-NE2 3.37Å
79	A	85.4	Confident	82.8	Confident	49 Å²	49	64.7 Å²	64.7	41%	0.405	31%	0.312	S	S	.	.	H	α-helix	trans	-64.6	-15.2	-178.6	0	0	0	0	0	113.7	Y75	Y75-A79 HydrophobicContact CD1-CB 4.2Å; Y75-A79 HydrophobicContact CE1-CB 3.84Å; Y75-A79 WeakPolarHBondContact O-CB 3.4Å; Y75-A79 PolarHBondContact O-N 3.21Å
80	S	82	Confident	80.4	Confident	21 Å²	21	64.5 Å²	64.5	15%	0.147	32%	0.317	C	S	.	.			trans	72.7	154.9	-163.8	-43.9	0	0	0	0	112.2	V78 S140	V78-S80 PolarHBondContact O-N 3.49Å; V78-S80 VanDerWaalsContact O-N 3.12Å; S80-S140 WeakPolarHBondContact OG-CB 3.41Å
81	T	89.5	Confident	78.1	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	169.3	175	62.9	0	0	0	0	110.8	I56 C76 I139 Y142 T508 F509 C510	I56-T81 HydrophobicContact CD1-CG2 3.83Å; C76-T81 HydrophobicContact CB-CG2 4.41Å; T81-I139 PolarHBondContact N-O 2.99Å; T81-I139 WeakPolarHBondContact O-CA 3.49Å; T81-I139 WeakPolarHBondContact O-CB 3.2Å; T81-I139 PolarHBondContact O-N 2.85Å; T81-Y142 PolarHBondContact N-OH 3.48Å; T81-T508 WeakPolarHBondContact CB-OG1 3.39Å; T81-T508 WeakPolarHBondContact OG1-CB 3.47Å; T81-T508 PolarHBondContact OG1-OG1 3.37Å; T81-F509 CarbonylContact C-O 3.46Å; T81-F509 WeakPolarHBondContact CA-O 3.5Å; T81-F509 VanDerWaalsContact CB-O 3.24Å; T81-F509 WeakPolarHBondContact CB-O 2.99Å; T81-C510 HydrophobicContact CG2-CB 4.11Å
82	Y	88.8	Confident	75.7	Confident	22 Å²	22	62 Å²	62	9%	0.086	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	160.2	176.1	63.5	-85.3	0	0	0	112	I84 L132 P133 R137 T508 F509 D511	Y82-I84 HydrophobicContact CD2-CG1 4.08Å; Y82-I84 HydrophobicContact CE2-CD1 3.95Å; Y82-I84 HydrophobicContact CE2-CG1 4.01Å; Y82-L132 HydrophobicContact CD1-CD1 4.12Å; Y82-L132 HydrophobicContact CD2-CD1 4.24Å; Y82-L132 HydrophobicContact CG-CD1 3.75Å; Y82-P133 HydrophobicContact CD2-CG 4.12Å; Y82-P133 HydrophobicContact CE2-CG 3.67Å; Y82-R137 CarbonylContact C-O 3.58Å; Y82-R137 VanDerWaalsContact CA-O 3.25Å; Y82-R137 WeakPolarHBondContact CA-O 3.39Å; Y82-R137 WeakPolarHBondContact CB-O 3.45Å; Y82-T508 CarbonylContact O-C 3.58Å; Y82-T508 VanDerWaalsContact O-CA 3.28Å; Y82-T508 WeakPolarHBondContact O-CA 3.5Å; Y82-T508 WeakPolarHBondContact O-CB 3.49Å; Y82-F509 HydrophobicContact CD1-CB 4.33Å; Y82-F509 VanDerWaalsContact CD1-O 3.27Å; Y82-F509 WeakPolarHBondContact CD1-O 3.4Å; Y82-F509 HydrophobicContact CD2-CB 4.14Å; Y82-F509 HydrophobicContact CE1-CB 3.86Å; Y82-F509 HydrophobicContact CE2-CB 3.63Å; Y82-F509 HydrophobicContact CE2-CD2 4.39Å; Y82-F509 HydrophobicContact CE2-CG 4.35Å; Y82-F509 HydrophobicContact CG-CB 4.46Å; Y82-F509 VanDerWaalsContact CZ-CB 3.47Å; Y82-F509 PolarHBondContact N-O 2.94Å; Y82-F509 PolarHBondContact O-N 2.87Å; Y82-D511 WeakPolarHBondContact CE1-OD1 3.18Å; Y82-D511 PolarHBondContact OH-OD1 3.45Å
83	F	86.2	Confident	73.2	Confident	10 Å²	10	64.8 Å²	64.8	4%	0.044	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	140.1	175.6	168.9	-103.1	0	0	0	110	H85 G136 R137 I139 W498 P505	F83-H85 AromaticContact CE1-CD2 3.66Å; F83-H85 AromaticContact CE1-CE1 3.86Å; F83-H85 AromaticContact CE1-CG 3.75Å; F83-H85 AromaticContact CE1-ND1 3.85Å; F83-H85 AromaticContact CE1-NE2 3.73Å; F83-G136 CarbonylContact O-C 3.52Å; F83-G136 WeakPolarHBondContact O-CA 3.5Å; F83-R137 PolarHBondContact N-O 3.2Å; F83-R137 PolarHBondContact O-N 3.45Å; F83-I139 HydrophobicContact CB-CD1 3.56Å; F83-W498 HydrophobicContact CD2-CZ3 4.39Å; F83-W498 HydrophobicContact CE2-CE3 4.12Å; F83-W498 AromaticContact CE2-CZ3 3.83Å; F83-W498 HydrophobicContact CE2-CZ3 3.83Å; F83-P505 HydrophobicContact CB-CB 4.21Å; F83-P505 HydrophobicContact CB-CG 3.88Å; F83-P505 HydrophobicContact CD1-CB 4.37Å; F83-P505 HydrophobicContact CD1-CG 4.38Å; F83-P505 HydrophobicContact CD2-CB 3.53Å; F83-P505 HydrophobicContact CD2-CG 4.16Å; F83-P505 HydrophobicContact CE2-CB 3.95Å; F83-P505 HydrophobicContact CG-CB 3.77Å; F83-P505 HydrophobicContact CG-CG 3.89Å
84	I	81.5	Confident	71	Confident	21 Å²	21	70.2 Å²	70.2	11%	0.108	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	133	173.2	-52	165.8	0	0	0	107.7	Y82 L86 Y89 P133 D135 F509	Y82-I84 HydrophobicContact CD2-CG1 4.08Å; Y82-I84 HydrophobicContact CE2-CD1 3.95Å; Y82-I84 HydrophobicContact CE2-CG1 4.01Å; I84-L86 PolarHBondContact O-N 3.32Å; I84-L86 VanDerWaalsContact O-N 3.13Å; I84-Y89 HydrophobicContact CG2-CE2 3.81Å; I84-P133 HydrophobicContact CD1-CG 4.32Å; I84-P133 HydrophobicContact CG1-CG 4.46Å; I84-D135 HydrophobicContact CG2-CB 4.36Å; I84-F509 HydrophobicContact CD1-CD2 4.15Å; I84-F509 HydrophobicContact CD1-CE2 4.29Å; I84-F509 HydrophobicContact CG1-CD2 4.3Å
85	H	74.1	Confident	68.5	Low	56 Å²	56	72.4 Å²	72.4	26%	0.259	38%	0.379	S	S	.	.			trans	-71.5	102.8	170.3	-75.7	-96	0	0	0	110.4	F83 T87 R88 E500 G502	F83-H85 AromaticContact CE1-CD2 3.66Å; F83-H85 AromaticContact CE1-CE1 3.86Å; F83-H85 AromaticContact CE1-CG 3.75Å; F83-H85 AromaticContact CE1-ND1 3.85Å; F83-H85 AromaticContact CE1-NE2 3.73Å; H85-T87 PolarHBondContact O-N 3.23Å; H85-R88 PolarHBondContact O-N 2.95Å; H85-R88 VanDerWaalsContact O-N 3.12Å; H85-E500 PolarHBondContact CE1-O 3.27Å; H85-G502 VanDerWaalsContact CE1-CA 3.41Å; H85-G502 WeakPolarHBondContact CE1-CA 3.35Å; H85-G502 PolarHBondContact CE1-N 3.05Å
86	L	67.2	Low	65.9	Low	122 Å²	122	71.7 Å²	71.7	64%	0.639	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-57.9	-30.8	177.6	-66.8	171.3	0	0	0	112.5	I84 R88 Y89	I84-L86 PolarHBondContact O-N 3.32Å; I84-L86 VanDerWaalsContact O-N 3.13Å; L86-R88 VanDerWaalsContact C-N 3.25Å; L86-R88 PolarHBondContact O-N 3.49Å; L86-Y89 PolarHBondContact O-N 3.41Å
87	T	59.9	Low	63.2	Low	105 Å²	105	75.8 Å²	75.8	64%	0.644	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-70.4	-10.5	178.9	48.9	0	0	0	0	115.1	H85	H85-T87 PolarHBondContact O-N 3.23Å
88	R	54.7	Low	60.9	Low	177 Å²	177	82.2 Å²	82.2	67%	0.668	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-83.3	-15.9	172.3	-180	170.5	-86.3	-172.3	-5.2	112.7	H85 L86 P90 D135	H85-R88 PolarHBondContact O-N 2.95Å; H85-R88 VanDerWaalsContact O-N 3.12Å; L86-R88 VanDerWaalsContact C-N 3.25Å; L86-R88 PolarHBondContact O-N 3.49Å; R88-P90 WeakPolarHBondContact O-CD 3.47Å; R88-D135 WeakPolarHBondContact CD-OD1 3.29Å; R88-D135 IonicContact CZ-OD1 3.75Å; R88-D135 IonicContact NE-OD1 2.74Å; R88-D135 IonicContact NH1-OD1 2.68Å; R88-D135 PolarHBondContact NH1-OD1 3.46Å
89	Y	50.2	Low	58.6	Low	108 Å²	108	81.8 Å²	81.8	42%	0.424	45%	0.446	S	S	.	.	S	Bend	trans	-73.2	122.7	172.4	-72.1	-84.5	0	0	0	110.2	I84 L86 T91	I84-Y89 HydrophobicContact CG2-CE2 3.81Å; L86-Y89 PolarHBondContact O-N 3.41Å; Y89-T91 PolarHBondContact O-N 2.87Å
90	P	42.5	Very low	56.4	Low	66 Å²	66	85.1 Å²	85.1	43%	0.429	46%	0.457	S	S	.	.			trans	-68.5	104.1	175.8	27.3	-33.4	0	0	0	110.1	R88 S92 N93	R88-P90 WeakPolarHBondContact O-CD 3.47Å; P90-S92 PolarHBondContact O-N 3.5Å; P90-S92 VanDerWaalsContact O-N 3.11Å; P90-N93 PolarHBondContact O-N 3.01Å; P90-N93 VanDerWaalsContact O-N 3.16Å
91	T	44.9	Very low	54.3	Low	110 Å²	110	91.7 Å²	91.7	68%	0.675	48%	0.484	S	S	*	.	G	3₁₀ helix	trans	-60.8	-17.1	175.2	46.5	0	0	0	0	112.9	Y89 N93 I94 L95	Y89-T91 PolarHBondContact O-N 2.87Å; T91-N93 PolarHBondContact O-N 2.99Å; T91-N93 VanDerWaalsContact O-N 3.08Å; T91-I94 PolarHBondContact O-N 2.93Å; T91-L95 PolarHBondContact O-N 3.49Å
92	S	41.5	Very low	52	Low	70 Å²	70	98.8 Å²	98.8	49%	0.49	52%	0.518	S	S	.	.	G	3₁₀ helix	trans	-57.7	-14	170.6	59.1	0	0	0	0	114.6	P90 V96	P90-S92 PolarHBondContact O-N 3.5Å; P90-S92 VanDerWaalsContact O-N 3.11Å; S92-V96 VanDerWaalsContact O-CB 3.23Å; S92-V96 WeakPolarHBondContact O-CB 3.16Å; S92-V96 WeakPolarHBondContact O-CG2 3.33Å
93	N	40.6	Very low	50.3	Low	59 Å²	59	102.5 Å²	102.5	32%	0.316	55%	0.545	S	S	.	.	G	3₁₀ helix	trans	-97.7	-6	175.1	-68.2	-13.1	0	0	0	114.4	P90 T91	P90-N93 PolarHBondContact O-N 3.01Å; P90-N93 VanDerWaalsContact O-N 3.16Å; T91-N93 PolarHBondContact O-N 2.99Å; T91-N93 VanDerWaalsContact O-N 3.08Å
94	I	45.9	Very low	48.6	Very low	137 Å²	137	107.2 Å²	107.2	70%	0.703	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.4	-30.5	-178.7	-64.5	179.3	0	0	0	111.8	T91	T91-I94 PolarHBondContact O-N 2.93Å
95	L	38.7	Very low	47.4	Very low	150 Å²	150	107.8 Å²	107.8	79%	0.785	58%	0.582	S	S	*	*	S	Bend	trans	-91.4	-5.9	174.3	-73.1	169.8	0	0	0	114.6	T91	T91-L95 PolarHBondContact O-N 3.49Å
96	V	38.2	Very low	46.5	Very low	73 Å²	73	110.8 Å²	110.8	44%	0.442	59%	0.592	S	S	.	*	S	Bend	trans	-95.6	6.2	-179.8	178.2	0	0	0	0	112.6	S92 N100	S92-V96 VanDerWaalsContact O-CB 3.23Å; S92-V96 WeakPolarHBondContact O-CB 3.16Å; S92-V96 WeakPolarHBondContact O-CG2 3.33Å; V96-N100 VanDerWaalsContact CG1-ND2 3.34Å; V96-N100 WeakPolarHBondContact CG1-ND2 3.3Å
97	S	35.2	Very low	46.1	Very low	86 Å²	86	110.8 Å²	110.8	60%	0.601	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	1.1	-177.3	-167.9	0	0	0	0	115.7
98	Q	41.7	Very low	46.3	Very low	181 Å²	181	107.8 Å²	107.8	85%	0.846	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.7	-24.2	178.5	-74.4	-171.6	-9	0	0	114.9
99	S	42.6	Very low	47.1	Very low	95 Å²	95	106.2 Å²	106.2	66%	0.664	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	-26.4	177.7	48.4	0	0	0	0	114
100	N	38.5	Very low	47.7	Very low	119 Å²	119	106.9 Å²	106.9	64%	0.636	59%	0.593	S	S	*	*	S	Bend	trans	-93	11.4	-178	-70.3	-34.7	0	0	0	114.2	V96 M102	V96-N100 VanDerWaalsContact CG1-ND2 3.34Å; V96-N100 WeakPolarHBondContact CG1-ND2 3.3Å; N100-M102 VanDerWaalsContact C-N 3.28Å; N100-M102 PolarHBondContact O-N 2.85Å
101	F	38.8	Very low	48.7	Very low	159 Å²	159	106.6 Å²	106.6	70%	0.697	60%	0.602	S	S	*	*			trans	-79.3	71.4	179.1	-166	-97.6	0	0	0	111.6	P103	F101-P103 HydrophobicContact CD1-CG 4.09Å; F101-P103 HydrophobicContact CE1-CB 4.34Å; F101-P103 HydrophobicContact CE1-CG 3.94Å; F101-P103 VanDerWaalsContact O-CD 3.31Å; F101-P103 WeakPolarHBondContact O-CD 3.38Å
102	M	41.5	Very low	49.7	Very low	148 Å²	148	107.7 Å²	107.7	73%	0.729	60%	0.599	S	S	*	*			trans	-79.8	111.7	163.9	-71.4	-169.1	75.1	0	0	109.2	N100 N104	N100-M102 VanDerWaalsContact C-N 3.28Å; N100-M102 PolarHBondContact O-N 2.85Å; M102-N104 PolarHBondContact O-N 3.27Å
103	P	52.6	Low	50.6	Low	101 Å²	101	112.3 Å²	112.3	66%	0.656	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	-0.1	-169.5	-20.6	34.1	0	0	0	115.9	F101	F101-P103 HydrophobicContact CD1-CG 4.09Å; F101-P103 HydrophobicContact CE1-CB 4.34Å; F101-P103 HydrophobicContact CE1-CG 3.94Å; F101-P103 VanDerWaalsContact O-CD 3.31Å; F101-P103 WeakPolarHBondContact O-CD 3.38Å
104	N	50.7	Low	51.2	Low	108 Å²	108	111.5 Å²	111.5	58%	0.578	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.2	-5.8	-161	-66.9	-29.9	0	0	0	114.8	M102 R113	M102-N104 PolarHBondContact O-N 3.27Å; N104-R113 PolarHBondContact O-NH1 3.46Å
105	G	54.9	Low	51.7	Low	34 Å²	34	112 Å²	112	35%	0.351	61%	0.606	S	S	.	*			trans	71.6	177.8	-164.1	0	0	0	0	0	112.5
106	Y	54.9	Low	52	Low	118 Å²	118	110.1 Å²	110.1	46%	0.463	59%	0.593	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.8	157.8	167.6	62.4	-91.5	0	0	0	110.6	V114 Q116	Y106-V114 HydrophobicContact CD2-CB 4.46Å; Y106-V114 HydrophobicContact CE2-CB 3.96Å; Y106-V114 HydrophobicContact CE2-CG1 4.34Å; Y106-V114 HydrophobicContact CE2-CG2 4.22Å; Y106-V114 PolarHBondContact O-N 3.3Å; Y106-V114 VanDerWaalsContact O-N 3.08Å; Y106-Q116 HydrophobicContact CE1-CB 4.23Å; Y106-Q116 HydrophobicContact CE1-CG 4.19Å
107	I	60.3	Low	52.1	Low	123 Å²	123	111.9 Å²	111.9	63%	0.631	61%	0.606	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-96.2	132.8	172.1	-51.8	178.9	0	0	0	106.8	Q112	I107-Q112 WeakPolarHBondContact CA-O 3.32Å
108	D	64.2	Low	52.7	Low	42 Å²	42	115.6 Å²	115.6	23%	0.225	61%	0.608	C	S	.	*			trans	-77.2	178.9	174.9	77.7	-12	0	0	0	112	N110 G111 Q112 V114	D108-N110 PolarHBondContact O-N 2.86Å; D108-N110 VanDerWaalsContact O-N 3.09Å; D108-N110 VanDerWaalsContact OD1-C 3.29Å; D108-N110 VanDerWaalsContact OD1-CA 3.3Å; D108-N110 WeakPolarHBondContact OD1-CA 3.42Å; D108-N110 WeakPolarHBondContact OD1-CB 3.35Å; D108-N110 PolarHBondContact OD1-N 3.32Å; D108-N110 PolarHBondContact OD2-ND2 2.73Å; D108-G111 PolarHBondContact O-N 2.92Å; D108-G111 PolarHBondContact OD1-N 3.2Å; D108-Q112 PolarHBondContact N-O 3.11Å; D108-Q112 PolarHBondContact OD1-N 3.34Å; D108-V114 HydrophobicContact CB-CG2 3.92Å
109	T	71.4	Confident	52.5	Low	143 Å²	143	111.2 Å²	111.2	88%	0.877	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	-5.8	175.5	46.6	0	0	0	0	114
110	N	63.1	Low	52.6	Low	122 Å²	122	111.7 Å²	111.7	65%	0.652	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.4	3.5	-178.8	-47.1	-60.1	0	0	0	112.4	D108 Q112	D108-N110 PolarHBondContact O-N 2.86Å; D108-N110 VanDerWaalsContact O-N 3.09Å; D108-N110 VanDerWaalsContact OD1-C 3.29Å; D108-N110 VanDerWaalsContact OD1-CA 3.3Å; D108-N110 WeakPolarHBondContact OD1-CA 3.42Å; D108-N110 WeakPolarHBondContact OD1-CB 3.35Å; D108-N110 PolarHBondContact OD1-N 3.32Å; D108-N110 PolarHBondContact OD2-ND2 2.73Å; N110-Q112 VanDerWaalsContact C-N 3.3Å; N110-Q112 PolarHBondContact O-N 3.48Å
111	G	61.7	Low	52.7	Low	60 Å²	60	113.1 Å²	113.1	62%	0.619	59%	0.592	S	S	*	*	S	Bend	trans	79.2	7.4	-178.2	0	0	0	0	0	114.5	D108	D108-G111 PolarHBondContact O-N 2.92Å; D108-G111 PolarHBondContact OD1-N 3.2Å
112	Q	67.1	Low	52.9	Low	134 Å²	134	109.1 Å²	109.1	63%	0.626	58%	0.583	S	S	*	*			trans	-87.5	136.8	178	-60.5	-166.2	0.2	0	0	111	I107 D108 N110 V114	I107-Q112 WeakPolarHBondContact CA-O 3.32Å; D108-Q112 PolarHBondContact N-O 3.11Å; D108-Q112 PolarHBondContact OD1-N 3.34Å; N110-Q112 VanDerWaalsContact C-N 3.3Å; N110-Q112 PolarHBondContact O-N 3.48Å; Q112-V114 PolarHBondContact O-N 2.95Å
113	R	59.1	Low	52.9	Low	167 Å²	167	111.2 Å²	111.2	63%	0.63	59%	0.587	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-80.7	98.8	174.8	-171.3	-159.7	-57.1	-116.4	6.5	109	N104 L115	N104-R113 PolarHBondContact O-NH1 3.46Å; R113-L115 PolarHBondContact O-N 3.11Å
114	V	54.6	Low	52.7	Low	41 Å²	41	112 Å²	112	25%	0.248	58%	0.581	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-75.3	113	-179	179.3	0	0	0	0	109.3	Y106 D108 Q112 Q116	Y106-V114 HydrophobicContact CD2-CB 4.46Å; Y106-V114 HydrophobicContact CE2-CB 3.96Å; Y106-V114 HydrophobicContact CE2-CG1 4.34Å; Y106-V114 HydrophobicContact CE2-CG2 4.22Å; Y106-V114 PolarHBondContact O-N 3.3Å; Y106-V114 VanDerWaalsContact O-N 3.08Å; D108-V114 HydrophobicContact CB-CG2 3.92Å; Q112-V114 PolarHBondContact O-N 2.95Å; V114-Q116 PolarHBondContact O-N 3.13Å; V114-Q116 VanDerWaalsContact O-N 3.09Å
115	L	55.1	Low	52.6	Low	148 Å²	148	112.1 Å²	112.1	78%	0.775	59%	0.59	S	S	*	*			trans	-67.6	104.6	162	-94.4	72	0	0	0	107.5	R113 P117	R113-L115 PolarHBondContact O-N 3.11Å; L115-P117 WeakPolarHBondContact O-CD 3.47Å; L115-P117 VanDerWaalsContact O-N 3.16Å
116	Q	45.4	Very low	52.5	Low	110 Å²	110	121.5 Å²	121.5	51%	0.514	62%	0.615	S	S	.	*			trans	-60.8	110	-173.1	-175.1	-177	2.9	0	0	111.6	Y106 V114 Y118	Y106-Q116 HydrophobicContact CE1-CB 4.23Å; Y106-Q116 HydrophobicContact CE1-CG 4.19Å; V114-Q116 PolarHBondContact O-N 3.13Å; V114-Q116 VanDerWaalsContact O-N 3.09Å; Q116-Y118 HydrophobicContact CG-CD2 4.14Å; Q116-Y118 PolarHBondContact O-N 2.85Å
117	P	41.3	Very low	52.5	Low	110 Å²	110	118.6 Å²	118.6	71%	0.714	61%	0.61	S	S	*	*			trans	-89.4	54.4	-173.6	37.3	-34.2	0	0	0	110.8	L115	L115-P117 WeakPolarHBondContact O-CD 3.47Å; L115-P117 VanDerWaalsContact O-N 3.16Å
118	Y	46.6	Very low	52.4	Low	165 Å²	165	120.4 Å²	120.4	65%	0.647	61%	0.614	S	S	*	*			trans	-116.1	101.9	-174.2	-94.7	-93.4	0	0	0	113.2	Q116 I120	Q116-Y118 HydrophobicContact CG-CD2 4.14Å; Q116-Y118 PolarHBondContact O-N 2.85Å; Y118-I120 VanDerWaalsContact C-N 3.28Å; Y118-I120 HydrophobicContact CD1-CG1 4.19Å; Y118-I120 HydrophobicContact CG-CG1 4.42Å; Y118-I120 PolarHBondContact O-N 3.32Å
119	S	37.8	Very low	52	Low	88 Å²	88	120.7 Å²	120.7	62%	0.615	62%	0.622	S	S	*	*			trans	-69.7	88.4	150.4	57.5	0	0	0	0	108.7	F121	S119-F121 PolarHBondContact O-N 2.98Å
120	I	45.6	Very low	51.4	Low	106 Å²	106	116.9 Å²	116.9	54%	0.544	61%	0.611	S	S	.	*			trans	-75.7	45	172.4	-39.3	-178.9	0	0	0	110.8	Y118	Y118-I120 VanDerWaalsContact C-N 3.28Å; Y118-I120 HydrophobicContact CD1-CG1 4.19Å; Y118-I120 HydrophobicContact CG-CG1 4.42Å; Y118-I120 PolarHBondContact O-N 3.32Å
121	F	40	Very low	51.6	Low	148 Å²	148	116.2 Å²	116.2	65%	0.649	60%	0.604	S	S	*	*	S	Bend	trans	-124.8	121.6	164.2	-69.9	-78.3	0	0	0	105.8	S119 K123	S119-F121 PolarHBondContact O-N 2.98Å; F121-K123 PolarHBondContact O-N 3.17Å
122	P	43.8	Very low	51.9	Low	76 Å²	76	117.2 Å²	117.2	49%	0.494	60%	0.595	S	S	.	*			trans	-54.5	129.8	167	24.1	-32.4	0	0	0	107.6	F124	P122-F124 HydrophobicContact CB-CD2 4.32Å; P122-F124 HydrophobicContact CB-CE2 4.38Å; P122-F124 HydrophobicContact CG-CD2 3.87Å; P122-F124 HydrophobicContact CG-CE2 3.69Å; P122-F124 PolarHBondContact O-N 3.14Å
123	K	41.4	Very low	52	Low	191 Å²	191	111.8 Å²	111.8	83%	0.83	57%	0.572	S	S	*	*			trans	-70	71.9	170.8	-72.5	-177.6	179.8	175.8	0	108.6	F121 S125	F121-K123 PolarHBondContact O-N 3.17Å; K123-S125 PolarHBondContact O-N 3.34Å; K123-S125 VanDerWaalsContact O-N 3.1Å
124	F	48.7	Very low	52.2	Low	118 Å²	118	109.7 Å²	109.7	52%	0.518	58%	0.582	S	S	.	*			trans	-48.5	120.8	156	-81.6	-82.9	0	0	0	106.2	P122 R126	P122-F124 HydrophobicContact CB-CD2 4.32Å; P122-F124 HydrophobicContact CB-CE2 4.38Å; P122-F124 HydrophobicContact CG-CD2 3.87Å; P122-F124 HydrophobicContact CG-CE2 3.69Å; P122-F124 PolarHBondContact O-N 3.14Å; F124-R126 VanDerWaalsContact C-N 3.32Å; F124-R126 PolarHBondContact O-N 3.41Å
125	S	47.7	Very low	52.8	Low	111 Å²	111	109.9 Å²	109.9	78%	0.776	58%	0.582	S	S	*	*			trans	-60.3	104.2	168.6	-70.8	0	0	0	0	105.8	K123 P127	K123-S125 PolarHBondContact O-N 3.34Å; K123-S125 VanDerWaalsContact O-N 3.1Å; S125-P127 VanDerWaalsContact O-N 3.16Å
126	R	52.6	Low	53.5	Low	231 Å²	231	103.4 Å²	103.4	87%	0.872	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-55.5	124.9	173.1	-64.7	-174	-174	-175.4	2.8	105.3	F124 K128	F124-R126 VanDerWaalsContact C-N 3.32Å; F124-R126 PolarHBondContact O-N 3.41Å; R126-K128 PolarHBondContact O-N 3.23Å
127	P	55.6	Low	55.1	Low	56 Å²	56	103.5 Å²	103.5	36%	0.364	55%	0.546	S	S	.	.	P	Polyproline II helix	trans	-52.8	140	174.9	21.4	-31.9	0	0	0	108.5	S125 E131 P133	S125-P127 VanDerWaalsContact O-N 3.16Å; P127-E131 HydrophobicContact CB-CB 3.98Å; P127-E131 WeakPolarHBondContact CB-O 3.47Å; P127-P133 HydrophobicContact CG-CB 4.14Å
128	K	57.2	Low	57.1	Low	162 Å²	162	103 Å²	103	70%	0.704	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-58.9	151	167.1	-66.1	171.9	-177.1	166.1	0	107.5	R126 G130 E131	R126-K128 PolarHBondContact O-N 3.23Å; K128-G130 PolarHBondContact O-N 3.13Å; K128-G130 VanDerWaalsContact O-N 3.09Å; K128-E131 HydrophobicContact CB-CB 4.31Å; K128-E131 WeakPolarHBondContact O-CA 3.41Å; K128-E131 WeakPolarHBondContact O-CB 3.27Å; K128-E131 PolarHBondContact O-N 3.27Å
129	A	55.7	Low	58.9	Low	47 Å²	47	95.4 Å²	95.4	39%	0.388	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	121	-174.6	0	0	0	0	0	111.1	Y522	A129-Y522 HydrophobicContact CB-CD1 3.59Å; A129-Y522 HydrophobicContact CB-CD2 3.44Å; A129-Y522 VanDerWaalsContact CB-CD2 3.44Å; A129-Y522 HydrophobicContact CB-CE1 3.73Å; A129-Y522 HydrophobicContact CB-CE2 3.6Å; A129-Y522 HydrophobicContact CB-CG 3.43Å; A129-Y522 VanDerWaalsContact CB-CG 3.43Å
130	G	59.5	Low	61.1	Low	64 Å²	64	93.6 Å²	93.6	66%	0.66	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.7	-0.5	-172	0	0	0	0	0	115.7	K128	K128-G130 PolarHBondContact O-N 3.13Å; K128-G130 VanDerWaalsContact O-N 3.09Å
131	E	66.5	Low	63	Low	108 Å²	108	90.4 Å²	90.4	51%	0.505	48%	0.477	S	S	.	.	S	Bend	trans	-89.9	136.8	171.4	-157.3	173.1	137.8	0	0	109.6	P127 K128	P127-E131 HydrophobicContact CB-CB 3.98Å; P127-E131 WeakPolarHBondContact CB-O 3.47Å; K128-E131 HydrophobicContact CB-CB 4.31Å; K128-E131 WeakPolarHBondContact O-CA 3.41Å; K128-E131 WeakPolarHBondContact O-CB 3.27Å; K128-E131 PolarHBondContact O-N 3.27Å
132	L	69.2	Low	65.3	Low	80 Å²	80	83.3 Å²	83.3	42%	0.419	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-71.9	128.2	-178.2	-171	71.6	0	0	0	109.4	Y82 G136 L138	Y82-L132 HydrophobicContact CD1-CD1 4.12Å; Y82-L132 HydrophobicContact CD2-CD1 4.24Å; Y82-L132 HydrophobicContact CG-CD1 3.75Å; L132-G136 VanDerWaalsContact CD2-O 3.29Å; L132-G136 WeakPolarHBondContact CD2-O 3.34Å; L132-L138 HydrophobicContact CD2-CB 4.31Å
133	P	69	Low	67.4	Low	21 Å²	21	81.7 Å²	81.7	14%	0.136	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-59.9	147.7	175.3	22.3	-31.7	0	0	0	111	Y82 I84 P127 D135 G136	Y82-P133 HydrophobicContact CD2-CG 4.12Å; Y82-P133 HydrophobicContact CE2-CG 3.67Å; I84-P133 HydrophobicContact CD1-CG 4.32Å; I84-P133 HydrophobicContact CG1-CG 4.46Å; P127-P133 HydrophobicContact CG-CB 4.14Å; P133-D135 PolarHBondContact O-N 3.03Å; P133-D135 VanDerWaalsContact O-N 3.11Å; P133-G136 WeakPolarHBondContact O-CA 3.42Å; P133-G136 PolarHBondContact O-N 2.94Å
134	S	62.9	Low	69.6	Low	122 Å²	122	79.3 Å²	79.3	85%	0.853	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-28.3	-171.4	-46.7	0	0	0	0	115.1
135	D	66.8	Low	71.6	Confident	45 Å²	45	73.7 Å²	73.7	24%	0.241	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	7.3	174.5	-68.7	-67.3	0	0	0	113.4	I84 R88 P133	I84-D135 HydrophobicContact CG2-CB 4.36Å; R88-D135 WeakPolarHBondContact CD-OD1 3.29Å; R88-D135 IonicContact CZ-OD1 3.75Å; R88-D135 IonicContact NE-OD1 2.74Å; R88-D135 IonicContact NH1-OD1 2.68Å; R88-D135 PolarHBondContact NH1-OD1 3.46Å; P133-D135 PolarHBondContact O-N 3.03Å; P133-D135 VanDerWaalsContact O-N 3.11Å
136	G	71	Confident	73.7	Confident	12 Å²	12	69.4 Å²	69.4	12%	0.124	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	119.1	179.8	0	0	0	0	0	112.3	F83 L132 P133	F83-G136 CarbonylContact O-C 3.52Å; F83-G136 WeakPolarHBondContact O-CA 3.5Å; L132-G136 VanDerWaalsContact CD2-O 3.29Å; L132-G136 WeakPolarHBondContact CD2-O 3.34Å; P133-G136 WeakPolarHBondContact O-CA 3.42Å; P133-G136 PolarHBondContact O-N 2.94Å
137	R	77.6	Confident	75.6	Confident	112 Å²	112	63 Å²	63	42%	0.423	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	118.3	171.4	-174.4	174.5	-177.9	163.2	3.5	110.1	Y82 F83 G478	Y82-R137 CarbonylContact C-O 3.58Å; Y82-R137 VanDerWaalsContact CA-O 3.25Å; Y82-R137 WeakPolarHBondContact CA-O 3.39Å; Y82-R137 WeakPolarHBondContact CB-O 3.45Å; F83-R137 PolarHBondContact N-O 3.2Å; F83-R137 PolarHBondContact O-N 3.45Å; R137-G478 PolarHBondContact NH1-O 2.86Å; R137-G478 PolarHBondContact NH2-O 3.36Å
138	L	84.7	Confident	77.4	Confident	100 Å²	100	62 Å²	62	52%	0.524	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	141.1	175.2	-169.3	70.6	0	0	0	111.8	L132	L132-L138 HydrophobicContact CD2-CB 4.31Å
139	I	84.3	Confident	79.1	Confident	6 Å²	6	54.3 Å²	54.3	3%	0.031	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	95.5	-174.9	-54	167.8	0	0	0	109.1	T81 F83 Y141 Y142 P505 T508	T81-I139 PolarHBondContact N-O 2.99Å; T81-I139 WeakPolarHBondContact O-CA 3.49Å; T81-I139 WeakPolarHBondContact O-CB 3.2Å; T81-I139 PolarHBondContact O-N 2.85Å; F83-I139 HydrophobicContact CB-CD1 3.56Å; I139-Y141 HydrophobicContact CG2-CD1 3.92Å; I139-Y141 HydrophobicContact CG2-CE1 3.61Å; I139-Y142 HydrophobicContact CB-CE1 4.25Å; I139-Y142 HydrophobicContact CG2-CD1 3.58Å; I139-Y142 HydrophobicContact CG2-CE1 3.62Å; I139-Y142 WeakPolarHBondContact O-CE1 3.36Å; I139-P505 HydrophobicContact CD1-CG 3.46Å; I139-P505 VanDerWaalsContact CD1-CG 3.46Å; I139-T508 HydrophobicContact CD1-CG2 3.56Å
140	S	83.2	Confident	80.8	Confident	50 Å²	50	54.1 Å²	54.1	35%	0.35	30%	0.301	S	S	.	.			trans	-106.1	-16	173	58.3	0	0	0	0	113.3	S80 Y142 Q143	S80-S140 WeakPolarHBondContact OG-CB 3.41Å; S140-Y142 VanDerWaalsContact C-N 3.31Å; S140-Y142 PolarHBondContact O-N 2.91Å; S140-Y142 VanDerWaalsContact O-N 3.14Å; S140-Q143 WeakPolarHBondContact O-CB 3.15Å; S140-Q143 WeakPolarHBondContact O-CG 3.29Å; S140-Q143 PolarHBondContact O-N 3.34Å
141	Y	85.3	Confident	82.5	Confident	38 Å²	38	54.6 Å²	54.6	15%	0.149	29%	0.291	C	S	.	.	H	α-helix	trans	-58.9	-36.5	-164.8	66	-107.8	0	0	0	114	I139 Q143 W144 A145 Y476 F504 N532 L535	I139-Y141 HydrophobicContact CG2-CD1 3.92Å; I139-Y141 HydrophobicContact CG2-CE1 3.61Å; Y141-Q143 PolarHBondContact O-N 3.13Å; Y141-Q143 VanDerWaalsContact O-N 3.11Å; Y141-W144 PolarHBondContact O-N 2.72Å; Y141-A145 PolarHBondContact O-N 3.31Å; Y141-Y476 HydrophobicContact CD2-CE1 4.14Å; Y141-Y476 HydrophobicContact CG-CE1 4.46Å; Y141-Y476 PolarHBondContact O-OH 3.2Å; Y141-F504 HydrophobicContact CE2-CD1 4.36Å; Y141-F504 HydrophobicContact CE2-CE1 4.07Å; Y141-N532 WeakPolarHBondContact CE2-OD1 3.43Å; Y141-N532 PolarHBondContact OH-ND2 3Å; Y141-N532 PolarHBondContact OH-OD1 3.25Å; Y141-N532 VanDerWaalsContact OH-OD1 3.08Å; Y141-L535 HydrophobicContact CD2-CD1 4.48Å; Y141-L535 HydrophobicContact CE2-CD1 4.24Å
142	Y	87.7	Confident	83.8	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-60.8	-25.4	-174.9	56.6	-105.4	0	0	0	113.7	Q50 W77 T81 I139 S140 W144 L529	Q50-Y142 PolarHBondContact NE2-O 3.08Å; W77-Y142 HydrophobicContact CD2-CE2 4.27Å; W77-Y142 AromaticContact CE3-CD2 3.98Å; W77-Y142 HydrophobicContact CE3-CD2 3.98Å; W77-Y142 AromaticContact CE3-CE2 3.54Å; W77-Y142 HydrophobicContact CE3-CE2 3.54Å; W77-Y142 AromaticContact CH2-CD2 3.45Å; W77-Y142 HydrophobicContact CH2-CD2 3.45Å; W77-Y142 VanDerWaalsContact CH2-CD2 3.45Å; W77-Y142 AromaticContact CH2-CE2 3.9Å; W77-Y142 HydrophobicContact CH2-CE2 3.9Å; W77-Y142 HydrophobicContact CZ2-CD2 4.29Å; W77-Y142 AromaticContact CZ3-CD2 3.25Å; W77-Y142 HydrophobicContact CZ3-CD2 3.25Å; W77-Y142 AromaticContact CZ3-CE2 3.32Å; W77-Y142 HydrophobicContact CZ3-CE2 3.32Å; W77-Y142 HydrophobicContact CZ3-CG 4.35Å; T81-Y142 PolarHBondContact N-OH 3.48Å; I139-Y142 HydrophobicContact CB-CE1 4.25Å; I139-Y142 HydrophobicContact CG2-CD1 3.58Å; I139-Y142 HydrophobicContact CG2-CE1 3.62Å; I139-Y142 WeakPolarHBondContact O-CE1 3.36Å; S140-Y142 VanDerWaalsContact C-N 3.31Å; S140-Y142 PolarHBondContact O-N 2.91Å; S140-Y142 VanDerWaalsContact O-N 3.14Å; Y142-W144 VanDerWaalsContact C-N 3.34Å; Y142-L529 HydrophobicContact CD1-CD1 4.36Å; Y142-L529 HydrophobicContact CD1-CD2 3.52Å; Y142-L529 HydrophobicContact CD1-CG 4.49Å; Y142-L529 HydrophobicContact CD2-CD1 4.4Å; Y142-L529 HydrophobicContact CE1-CD1 4.21Å; Y142-L529 HydrophobicContact CE1-CD2 3.66Å; Y142-L529 HydrophobicContact CE2-CD1 4.27Å; Y142-L529 HydrophobicContact CG-CD1 4.45Å; Y142-L529 HydrophobicContact CG-CD2 4.19Å
143	Q	87.9	Confident	84.9	Confident	42 Å²	42	45.9 Å²	45.9	20%	0.196	25%	0.249	C	C	.	.	H	α-helix	trans	-64	-42.1	173.5	-58	171.6	-20.5	0	0	110.6	W77 V78 S140 Y141	W77-Q143 PolarHBondContact O-NE2 3.18Å; V78-Q143 PolarHBondContact O-NE2 3.37Å; S140-Q143 WeakPolarHBondContact O-CB 3.15Å; S140-Q143 WeakPolarHBondContact O-CG 3.29Å; S140-Q143 PolarHBondContact O-N 3.34Å; Y141-Q143 PolarHBondContact O-N 3.13Å; Y141-Q143 VanDerWaalsContact O-N 3.11Å
144	W	89.4	Confident	86	Confident	140 Å²	140	50.6 Å²	50.6	53%	0.53	27%	0.267	S	S	.	.	H	α-helix	trans	-91.9	-9	-168.3	-59.3	92.5	0	0	0	114	Y141 Y142 P146 I147 L148	Y141-W144 PolarHBondContact O-N 2.72Å; Y142-W144 VanDerWaalsContact C-N 3.34Å; W144-P146 VanDerWaalsContact C-CD 3.42Å; W144-I147 HydrophobicContact CE3-CD1 3.68Å; W144-I147 HydrophobicContact CZ3-CD1 3.86Å; W144-I147 WeakPolarHBondContact O-CB 3.31Å; W144-I147 PolarHBondContact O-N 3.02Å; W144-L148 PolarHBondContact O-N 2.95Å
145	A	90.6	Very high	87.5	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-46.8	-46	-178.4	0	0	0	0	0	115.2	Y141 I147 L148 L149 Y476 L535 Y539	Y141-A145 PolarHBondContact O-N 3.31Å; A145-I147 VanDerWaalsContact C-N 3.35Å; A145-I147 PolarHBondContact O-N 3.37Å; A145-L148 PolarHBondContact O-N 3.36Å; A145-L149 VanDerWaalsContact O-CG 3.3Å; A145-L149 WeakPolarHBondContact O-CG 3.45Å; A145-L149 PolarHBondContact O-N 3.16Å; A145-L149 VanDerWaalsContact O-N 3.08Å; A145-Y476 WeakPolarHBondContact CA-OH 3.22Å; A145-Y476 WeakPolarHBondContact CB-OH 3.24Å; A145-Y476 PolarHBondContact N-OH 3.07Å; A145-L535 HydrophobicContact CB-CD1 4.27Å; A145-L535 HydrophobicContact CB-CD2 3.66Å; A145-Y539 WeakPolarHBondContact CB-OH 3.38Å
146	P	91.6	Very high	88.8	Confident	22 Å²	22	45 Å²	45	14%	0.143	23%	0.227	C	C	.	.	H	α-helix	trans	-67.9	-35.4	179.5	-13.4	27.3	0	0	0	112.7	I43 I46 W144 A150	I43-P146 HydrophobicContact CG2-CB 4.45Å; I46-P146 HydrophobicContact CG2-CG 4.01Å; W144-P146 VanDerWaalsContact C-CD 3.42Å; P146-A150 WeakPolarHBondContact O-CB 3.13Å; P146-A150 PolarHBondContact O-N 2.99Å
147	I	92.2	Very high	89.7	Confident	95 Å²	95	48.7 Å²	48.7	49%	0.487	24%	0.238	S	C	.	.	H	α-helix	trans	-70	-42.1	179.3	-63.3	169.1	0	0	0	109.5	W144 A145 A150 V151	W144-I147 HydrophobicContact CE3-CD1 3.68Å; W144-I147 HydrophobicContact CZ3-CD1 3.86Å; W144-I147 WeakPolarHBondContact O-CB 3.31Å; W144-I147 PolarHBondContact O-N 3.02Å; A145-I147 VanDerWaalsContact C-N 3.35Å; A145-I147 PolarHBondContact O-N 3.37Å; I147-A150 WeakPolarHBondContact O-CB 3.39Å; I147-A150 PolarHBondContact O-N 3.34Å; I147-V151 WeakPolarHBondContact O-CG2 3.39Å; I147-V151 PolarHBondContact O-N 3.1Å
148	L	92.3	Very high	90.4	Very high	36 Å²	36	45.9 Å²	45.9	19%	0.188	23%	0.231	C	C	.	.	H	α-helix	trans	-56.6	-55	173.7	-164.7	86	0	0	0	110.7	W144 A145 A150 V151 Q152 L472 Y476	W144-L148 PolarHBondContact O-N 2.95Å; A145-L148 PolarHBondContact O-N 3.36Å; L148-A150 PolarHBondContact O-N 3.42Å; L148-V151 WeakPolarHBondContact O-CB 3.41Å; L148-V151 PolarHBondContact O-N 2.89Å; L148-Q152 WeakPolarHBondContact O-CG 3.25Å; L148-Q152 PolarHBondContact O-N 3.35Å; L148-L472 HydrophobicContact CD1-CD2 3.78Å; L148-L472 HydrophobicContact CD2-CD2 3.88Å; L148-L472 HydrophobicContact CG-CD2 3.94Å; L148-Y476 HydrophobicContact CB-CE2 4.42Å; L148-Y476 HydrophobicContact CD1-CD2 3.84Å; L148-Y476 HydrophobicContact CD1-CE2 4.26Å; L148-Y476 HydrophobicContact CD1-CG 4.47Å; L148-Y476 HydrophobicContact CD2-CD1 3.85Å; L148-Y476 HydrophobicContact CD2-CD2 3.52Å; L148-Y476 HydrophobicContact CD2-CE1 4.1Å; L148-Y476 HydrophobicContact CD2-CE2 3.74Å; L148-Y476 HydrophobicContact CD2-CG 3.55Å; L148-Y476 HydrophobicContact CG-CD2 4.22Å; L148-Y476 HydrophobicContact CG-CE2 4.36Å
149	L	93.3	Very high	90.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-59.7	-33.6	179.6	-66.1	171.5	0	0	0	112.4	L39 F42 I43 I46 A145 Q152 S153 Y539 L542	L39-L149 HydrophobicContact CD2-CD2 3.63Å; F42-L149 HydrophobicContact CB-CD1 4.22Å; I43-L149 HydrophobicContact CD1-CB 3.99Å; I43-L149 HydrophobicContact CG1-CB 3.57Å; I43-L149 HydrophobicContact CG1-CD1 4.29Å; I46-L149 HydrophobicContact CD1-CD1 3.48Å; I46-L149 VanDerWaalsContact CD1-CD1 3.48Å; A145-L149 VanDerWaalsContact O-CG 3.3Å; A145-L149 WeakPolarHBondContact O-CG 3.45Å; A145-L149 PolarHBondContact O-N 3.16Å; A145-L149 VanDerWaalsContact O-N 3.08Å; L149-Q152 PolarHBondContact O-N 3.14Å; L149-S153 WeakPolarHBondContact O-CB 3.38Å; L149-S153 PolarHBondContact O-N 2.86Å; L149-Y539 HydrophobicContact CD2-CE1 4.17Å; L149-L542 HydrophobicContact CD2-CD1 3.52Å
150	A	92.9	Very high	91.1	Very high	43 Å²	43	40.9 Å²	40.9	36%	0.355	21%	0.205	S	C	.	.	H	α-helix	trans	-66.3	-41.7	174.6	0	0	0	0	0	111.9	I43 P146 I147 L148 S153 F154	I43-A150 HydrophobicContact CD1-CB 3.96Å; P146-A150 WeakPolarHBondContact O-CB 3.13Å; P146-A150 PolarHBondContact O-N 2.99Å; I147-A150 WeakPolarHBondContact O-CB 3.39Å; I147-A150 PolarHBondContact O-N 3.34Å; L148-A150 PolarHBondContact O-N 3.42Å; A150-S153 PolarHBondContact O-N 2.88Å; A150-F154 PolarHBondContact O-N 3.04Å
151	V	93.8	Very high	91.4	Very high	75 Å²	75	41.3 Å²	41.3	46%	0.455	20%	0.203	S	C	.	.	H	α-helix	trans	-65.1	-44.6	173.4	173.2	0	0	0	0	110.9	I147 L148 S153 F154 L155	I147-V151 WeakPolarHBondContact O-CG2 3.39Å; I147-V151 PolarHBondContact O-N 3.1Å; L148-V151 WeakPolarHBondContact O-CB 3.41Å; L148-V151 PolarHBondContact O-N 2.89Å; V151-S153 VanDerWaalsContact C-N 3.33Å; V151-S153 PolarHBondContact O-N 3.33Å; V151-F154 PolarHBondContact O-N 2.91Å; V151-L155 HydrophobicContact CG1-CD1 3.92Å; V151-L155 HydrophobicContact CG1-CG 4.39Å; V151-L155 VanDerWaalsContact O-CG 3.3Å; V151-L155 WeakPolarHBondContact O-CG 3.24Å; V151-L155 PolarHBondContact O-N 3.18Å
152	Q	94	Very high	91.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-56.9	-46	174.5	-62.5	-166	-32.6	0	0	111.5	L39 L148 L149 F154 L155 F156 L472	L39-Q152 HydrophobicContact CD1-CB 4.04Å; L148-Q152 WeakPolarHBondContact O-CG 3.25Å; L148-Q152 PolarHBondContact O-N 3.35Å; L149-Q152 PolarHBondContact O-N 3.14Å; Q152-F154 PolarHBondContact O-N 3.38Å; Q152-L155 PolarHBondContact O-N 3.47Å; Q152-L155 VanDerWaalsContact O-N 3.16Å; Q152-F156 WeakPolarHBondContact O-CD2 3.44Å; Q152-F156 PolarHBondContact O-N 3.36Å; Q152-L472 HydrophobicContact CG-CD2 4.39Å
153	S	92.8	Very high	91.8	Very high	5 Å²	5	41.6 Å²	41.6	4%	0.035	21%	0.206	C	C	.	.	H	α-helix	trans	-62.2	-41.4	179	-171.7	0	0	0	0	112.3	G36 F40 L149 A150 V151 F156 Y157	G36-S153 PolarHBondContact O-OG 3.46Å; F40-S153 VanDerWaalsContact CE2-OG 3.24Å; F40-S153 WeakPolarHBondContact CE2-OG 3.41Å; L149-S153 WeakPolarHBondContact O-CB 3.38Å; L149-S153 PolarHBondContact O-N 2.86Å; A150-S153 PolarHBondContact O-N 2.88Å; V151-S153 VanDerWaalsContact C-N 3.33Å; V151-S153 PolarHBondContact O-N 3.33Å; S153-F156 PolarHBondContact O-N 2.78Å; S153-Y157 PolarHBondContact O-N 3.23Å
154	F	92	Very high	91.8	Very high	120 Å²	120	43.4 Å²	43.4	53%	0.526	21%	0.212	S	C	.	.	H	α-helix	trans	-62.9	-41.6	172.9	176.4	-98.8	0	0	0	112.5	A150 V151 Q152 F156 Y157 L158	A150-F154 PolarHBondContact O-N 3.04Å; V151-F154 PolarHBondContact O-N 2.91Å; Q152-F154 PolarHBondContact O-N 3.38Å; F154-F156 PolarHBondContact O-N 2.96Å; F154-Y157 WeakPolarHBondContact O-CB 3.41Å; F154-Y157 PolarHBondContact O-N 3.35Å; F154-Y157 VanDerWaalsContact O-N 3.07Å; F154-L158 HydrophobicContact CE1-CD1 4.3Å; F154-L158 PolarHBondContact O-N 3.05Å
155	L	93.9	Very high	91.7	Very high	49 Å²	49	42 Å²	42	26%	0.257	21%	0.214	S	C	.	.	H	α-helix	trans	-65.8	-35.2	178.1	-70.1	170.6	0	0	0	112.4	V151 Q152 Y157 L158 P159 N465 Q469	V151-L155 HydrophobicContact CG1-CD1 3.92Å; V151-L155 HydrophobicContact CG1-CG 4.39Å; V151-L155 VanDerWaalsContact O-CG 3.3Å; V151-L155 WeakPolarHBondContact O-CG 3.24Å; V151-L155 PolarHBondContact O-N 3.18Å; Q152-L155 PolarHBondContact O-N 3.47Å; Q152-L155 VanDerWaalsContact O-N 3.16Å; L155-Y157 VanDerWaalsContact C-N 3.29Å; L155-Y157 PolarHBondContact O-N 3.22Å; L155-L158 HydrophobicContact CD2-CD1 4.19Å; L155-L158 WeakPolarHBondContact O-CB 3.5Å; L155-L158 PolarHBondContact O-N 3.09Å; L155-P159 WeakPolarHBondContact O-CD 3.4Å; L155-N465 WeakPolarHBondContact CB-OD1 3.42Å; L155-Q469 VanDerWaalsContact CB-NE2 3.29Å
156	F	93.5	Very high	91.6	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64.9	-28.4	169.4	-85.8	-72.1	0	0	0	113.8	N31 Y32 T35 L39 Q152 S153 F154 N465 V466 Q469 F546	N31-F156 HydrophobicContact CB-CD1 4.05Å; Y32-F156 WeakPolarHBondContact CA-O 3.34Å; Y32-F156 WeakPolarHBondContact CB-O 2.99Å; T35-F156 HydrophobicContact CG2-CD1 4.18Å; T35-F156 HydrophobicContact CG2-CD2 3.83Å; T35-F156 HydrophobicContact CG2-CE1 3.94Å; T35-F156 HydrophobicContact CG2-CE2 3.56Å; T35-F156 HydrophobicContact CG2-CG 4.14Å; T35-F156 HydrophobicContact CG2-CZ 3.63Å; L39-F156 HydrophobicContact CD1-CD2 3.7Å; L39-F156 HydrophobicContact CD1-CE2 4.02Å; Q152-F156 WeakPolarHBondContact O-CD2 3.44Å; Q152-F156 PolarHBondContact O-N 3.36Å; S153-F156 PolarHBondContact O-N 2.78Å; F154-F156 PolarHBondContact O-N 2.96Å; F156-N465 VanDerWaalsContact CD1-ND2 3.33Å; F156-N465 WeakPolarHBondContact CD1-ND2 3.3Å; F156-N465 WeakPolarHBondContact CE1-ND2 3.48Å; F156-V466 HydrophobicContact CE1-CG2 4.02Å; F156-Q469 HydrophobicContact CD2-CG 4.36Å; F156-Q469 HydrophobicContact CE2-CB 4.38Å; F156-Q469 HydrophobicContact CE2-CG 3.64Å; F156-Q469 HydrophobicContact CZ-CB 4.39Å; F156-Q469 HydrophobicContact CZ-CG 3.82Å; F156-F546 HydrophobicContact CE2-CD1 4.02Å; F156-F546 AromaticContact CE2-CE1 3.46Å; F156-F546 HydrophobicContact CE2-CE1 3.46Å; F156-F546 VanDerWaalsContact CE2-CE1 3.46Å; F156-F546 AromaticContact CE2-CZ 3.85Å; F156-F546 HydrophobicContact CE2-CZ 3.85Å; F156-F546 AromaticContact CZ-CD1 3.71Å; F156-F546 HydrophobicContact CZ-CD1 3.71Å; F156-F546 AromaticContact CZ-CE1 3.66Å; F156-F546 HydrophobicContact CZ-CE1 3.66Å; F156-F546 HydrophobicContact CZ-CG 4.46Å; F156-F546 HydrophobicContact CZ-CZ 4.34Å
157	Y	90.8	Very high	91.4	Very high	89 Å²	89	45.8 Å²	45.8	35%	0.349	23%	0.23	S	C	.	.	H	α-helix	trans	-81.4	-27.3	176.8	-175	-101.7	0	0	0	113.5	Y32 S153 F154 L155 P159 C160 L161 R164	Y32-Y157 HydrophobicContact CD2-CD2 4.48Å; S153-Y157 PolarHBondContact O-N 3.23Å; F154-Y157 WeakPolarHBondContact O-CB 3.41Å; F154-Y157 PolarHBondContact O-N 3.35Å; F154-Y157 VanDerWaalsContact O-N 3.07Å; L155-Y157 VanDerWaalsContact C-N 3.29Å; L155-Y157 PolarHBondContact O-N 3.22Å; Y157-P159 VanDerWaalsContact C-CD 3.46Å; Y157-C160 WeakPolarHBondContact O-CB 3.49Å; Y157-C160 PolarHBondContact O-N 2.91Å; Y157-L161 HydrophobicContact CD1-CB 4.29Å; Y157-L161 HydrophobicContact CE1-CB 4.07Å; Y157-L161 HydrophobicContact CE1-CD1 4.43Å; Y157-L161 PolarHBondContact O-N 3.07Å; Y157-L161 VanDerWaalsContact O-N 3.08Å; Y157-R164 PolarHBondContact OH-NH1 2.93Å
158	L	91.9	Very high	90.9	Very high	54 Å²	54	44.2 Å²	44.2	28%	0.283	24%	0.237	S	C	.	.	H	α-helix	trans	-52.8	-43.2	-174.5	-173.7	156.2	0	0	0	115.1	F154 L155 C160 L161 I162 I461	F154-L158 HydrophobicContact CE1-CD1 4.3Å; F154-L158 PolarHBondContact O-N 3.05Å; L155-L158 HydrophobicContact CD2-CD1 4.19Å; L155-L158 WeakPolarHBondContact O-CB 3.5Å; L155-L158 PolarHBondContact O-N 3.09Å; L158-C160 VanDerWaalsContact C-N 3.33Å; L158-C160 PolarHBondContact O-N 3.34Å; L158-L161 WeakPolarHBondContact O-CB 3.45Å; L158-L161 PolarHBondContact O-N 3.35Å; L158-I162 HydrophobicContact CD2-CD1 3.58Å; L158-I162 HydrophobicContact CD2-CG1 4.23Å; L158-I162 PolarHBondContact O-N 3.48Å; L158-I461 HydrophobicContact CD2-CG2 4.44Å
159	P	92.9	Very high	90.4	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-70.1	-33.7	-177.7	-14.8	30	0	0	0	111.6	L155 Y157 I162 W163 V458 I461 Y462	L155-P159 WeakPolarHBondContact O-CD 3.4Å; Y157-P159 VanDerWaalsContact C-CD 3.46Å; P159-I162 PolarHBondContact O-N 3.47Å; P159-W163 PolarHBondContact O-N 2.93Å; P159-V458 HydrophobicContact CB-CG1 4.23Å; P159-I461 HydrophobicContact CB-CB 4.39Å; P159-I461 HydrophobicContact CB-CG2 4.06Å; P159-I461 HydrophobicContact CG-CG2 3.91Å; P159-Y462 HydrophobicContact CB-CD1 3.74Å; P159-Y462 HydrophobicContact CB-CD2 4.06Å; P159-Y462 HydrophobicContact CB-CE1 3.67Å; P159-Y462 HydrophobicContact CB-CE2 4.02Å; P159-Y462 HydrophobicContact CB-CG 3.93Å; P159-Y462 HydrophobicContact CG-CD1 3.58Å; P159-Y462 HydrophobicContact CG-CE1 3.72Å; P159-Y462 HydrophobicContact CG-CG 4.11Å
160	C	90.5	Very high	89.8	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-65.6	-38.9	172.6	-162	0	0	0	0	111.5	Y32 Y157 L158 W163 R164 Y462	Y32-C160 HydrophobicContact CD1-CB 3.9Å; Y32-C160 VanDerWaalsContact CD1-SG 3.57Å; Y32-C160 HydrophobicContact CD2-CB 4.47Å; Y32-C160 HydrophobicContact CG-CB 3.8Å; Y157-C160 WeakPolarHBondContact O-CB 3.49Å; Y157-C160 PolarHBondContact O-N 2.91Å; L158-C160 VanDerWaalsContact C-N 3.33Å; L158-C160 PolarHBondContact O-N 3.34Å; C160-W163 PolarHBondContact O-N 3.25Å; C160-R164 WeakPolarHBondContact O-CB 3.21Å; C160-R164 WeakPolarHBondContact O-CD 3.48Å; C160-R164 WeakPolarHBondContact O-CG 3.35Å; C160-R164 PolarHBondContact O-N 3.29Å; C160-R164 PolarHBondContact SG-NE 3.04Å; C160-R164 PolarHBondContact SG-NH2 3.3Å; C160-Y462 WeakPolarHBondContact CB-OH 3.06Å; C160-Y462 PolarHBondContact N-OH 3.47Å
161	L	89.4	Confident	89.2	Confident	60 Å²	60	46 Å²	46	31%	0.314	25%	0.249	S	C	.	.	H	α-helix	trans	-63.3	-42.2	173.1	-177.3	61.5	0	0	0	111.6	Y157 L158 R164 L165	Y157-L161 HydrophobicContact CD1-CB 4.29Å; Y157-L161 HydrophobicContact CE1-CB 4.07Å; Y157-L161 HydrophobicContact CE1-CD1 4.43Å; Y157-L161 PolarHBondContact O-N 3.07Å; Y157-L161 VanDerWaalsContact O-N 3.08Å; L158-L161 WeakPolarHBondContact O-CB 3.45Å; L158-L161 PolarHBondContact O-N 3.35Å; L161-R164 PolarHBondContact O-N 3.03Å; L161-L165 HydrophobicContact CD1-CD1 4Å; L161-L165 HydrophobicContact CD1-CG 4.12Å; L161-L165 HydrophobicContact CG-CD1 3.88Å; L161-L165 HydrophobicContact CG-CG 4.41Å; L161-L165 WeakPolarHBondContact O-CB 3.37Å; L161-L165 VanDerWaalsContact O-CG 3.26Å; L161-L165 WeakPolarHBondContact O-CG 3.39Å; L161-L165 PolarHBondContact O-N 2.94Å
162	I	91.4	Very high	88.8	Confident	39 Å²	39	42.7 Å²	42.7	20%	0.2	23%	0.228	C	C	.	.	H	α-helix	trans	-58.7	-50.3	173.7	-70.8	176.3	0	0	0	110.8	L158 P159 R164 L165 F166 L454 V458 I461	L158-I162 HydrophobicContact CD2-CD1 3.58Å; L158-I162 HydrophobicContact CD2-CG1 4.23Å; L158-I162 PolarHBondContact O-N 3.48Å; P159-I162 PolarHBondContact O-N 3.47Å; I162-R164 VanDerWaalsContact C-N 3.34Å; I162-R164 PolarHBondContact O-N 2.81Å; I162-L165 PolarHBondContact O-N 3.16Å; I162-F166 HydrophobicContact CG2-CD2 3.95Å; I162-F166 HydrophobicContact CG2-CE2 4.46Å; I162-F166 WeakPolarHBondContact O-CD2 3.23Å; I162-F166 PolarHBondContact O-N 3.26Å; I162-L454 HydrophobicContact CG2-CD1 4.47Å; I162-V458 HydrophobicContact CG2-CG2 3.97Å; I162-I461 HydrophobicContact CD1-CD1 3.91Å
163	W	91.6	Very high	88.5	Confident	4 Å²	4	47.4 Å²	47.4	2%	0.015	25%	0.25	C	S	.	.	H	α-helix	trans	-53.1	-51.2	176.2	179.2	-132.6	0	0	0	111.6	D23 D24 P159 C160 L165 F166 A167 L451 L454 Y455 V458 F605	D23-W163 PolarHBondContact O-NE1 3.34Å; D24-W163 PolarHBondContact OD1-NE1 3.07Å; D24-W163 VanDerWaalsContact OD1-NE1 3.12Å; P159-W163 PolarHBondContact O-N 2.93Å; C160-W163 PolarHBondContact O-N 3.25Å; W163-L165 PolarHBondContact O-N 2.84Å; W163-F166 PolarHBondContact O-N 2.78Å; W163-A167 HydrophobicContact CD2-CB 4.26Å; W163-A167 HydrophobicContact CE3-CB 4.12Å; W163-A167 HydrophobicContact CZ3-CB 4.27Å; W163-A167 WeakPolarHBondContact O-CB 3.3Å; W163-A167 PolarHBondContact O-N 3.44Å; W163-L451 HydrophobicContact CH2-CD1 3.52Å; W163-L451 HydrophobicContact CH2-CG 4.08Å; W163-L451 HydrophobicContact CZ2-CD1 4.49Å; W163-L451 HydrophobicContact CZ3-CD1 3.79Å; W163-L454 HydrophobicContact CE3-CD2 3.77Å; W163-L454 HydrophobicContact CE3-CG 3.89Å; W163-L454 HydrophobicContact CZ3-CB 4.37Å; W163-L454 HydrophobicContact CZ3-CD2 3.9Å; W163-L454 HydrophobicContact CZ3-CG 4.02Å; W163-Y455 HydrophobicContact CD2-CD2 4.35Å; W163-Y455 HydrophobicContact CE3-CD2 4.21Å; W163-Y455 AromaticContact CH2-CD2 3.67Å; W163-Y455 HydrophobicContact CH2-CD2 3.67Å; W163-Y455 HydrophobicContact CH2-CG 4.22Å; W163-Y455 AromaticContact CZ2-CD2 3.79Å; W163-Y455 HydrophobicContact CZ2-CD2 3.79Å; W163-Y455 HydrophobicContact CZ2-CE2 4.38Å; W163-Y455 AromaticContact CZ3-CD2 3.89Å; W163-Y455 HydrophobicContact CZ3-CD2 3.89Å; W163-Y455 HydrophobicContact CZ3-CG 4.35Å; W163-V458 HydrophobicContact CB-CG1 4.27Å; W163-V458 HydrophobicContact CB-CG2 4.04Å; W163-F605 AromaticContact CH2-CE1 3.97Å; W163-F605 HydrophobicContact CH2-CE1 3.97Å; W163-F605 HydrophobicContact CH2-CZ 4.08Å; W163-F605 HydrophobicContact CZ2-CE1 4.49Å
164	R	86.9	Confident	88.3	Confident	81 Å²	81	47.6 Å²	47.6	31%	0.306	25%	0.251	S	S	.	.	H	α-helix	trans	-63	-36.7	-178.3	-70.2	165.9	-177.7	-179.5	4.1	113.3	D24 Y157 C160 L161 I162	D24-R164 IonicContact OD2-NH2 2.65Å; Y157-R164 PolarHBondContact OH-NH1 2.93Å; C160-R164 WeakPolarHBondContact O-CB 3.21Å; C160-R164 WeakPolarHBondContact O-CD 3.48Å; C160-R164 WeakPolarHBondContact O-CG 3.35Å; C160-R164 PolarHBondContact O-N 3.29Å; C160-R164 PolarHBondContact SG-NE 3.04Å; C160-R164 PolarHBondContact SG-NH2 3.3Å; L161-R164 PolarHBondContact O-N 3.03Å; I162-R164 VanDerWaalsContact C-N 3.34Å; I162-R164 PolarHBondContact O-N 2.81Å
165	L	88.1	Confident	88.1	Confident	111 Å²	111	48 Å²	48	58%	0.581	25%	0.253	S	S	*	.	H	α-helix	trans	-77.6	-36.4	179.7	-71.1	173.2	0	0	0	113.4	L161 I162 W163	L161-L165 HydrophobicContact CD1-CD1 4Å; L161-L165 HydrophobicContact CD1-CG 4.12Å; L161-L165 HydrophobicContact CG-CD1 3.88Å; L161-L165 HydrophobicContact CG-CG 4.41Å; L161-L165 WeakPolarHBondContact O-CB 3.37Å; L161-L165 VanDerWaalsContact O-CG 3.26Å; L161-L165 WeakPolarHBondContact O-CG 3.39Å; L161-L165 PolarHBondContact O-N 2.94Å; I162-L165 PolarHBondContact O-N 3.16Å; W163-L165 PolarHBondContact O-N 2.84Å
166	F	88.2	Confident	87.9	Confident	91 Å²	91	51 Å²	51	40%	0.399	26%	0.261	S	S	.	.	H	α-helix	trans	-97.9	-26.5	-173.5	-73.2	-82.3	0	0	0	114.3	I162 W163 G168 Q169 L454	I162-F166 HydrophobicContact CG2-CD2 3.95Å; I162-F166 HydrophobicContact CG2-CE2 4.46Å; I162-F166 WeakPolarHBondContact O-CD2 3.23Å; I162-F166 PolarHBondContact O-N 3.26Å; W163-F166 PolarHBondContact O-N 2.78Å; F166-G168 VanDerWaalsContact C-N 3.25Å; F166-G168 PolarHBondContact O-N 3.31Å; F166-Q169 VanDerWaalsContact CD1-NE2 3.3Å; F166-Q169 VanDerWaalsContact O-CB 3.31Å; F166-Q169 WeakPolarHBondContact O-CB 3.31Å; F166-Q169 PolarHBondContact O-N 2.78Å; F166-L454 VanDerWaalsContact C-CD2 3.47Å; F166-L454 HydrophobicContact CB-CD1 3.68Å; F166-L454 HydrophobicContact CB-CD2 3.59Å; F166-L454 HydrophobicContact CB-CG 4.3Å; F166-L454 HydrophobicContact CG-CD1 4.42Å
167	A	86.5	Confident	87.8	Confident	10 Å²	10	51 Å²	51	8%	0.083	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-60	-34.6	-177.8	0	0	0	0	0	112.8	W163 Q169 S170 V174 L451 L454	W163-A167 HydrophobicContact CD2-CB 4.26Å; W163-A167 HydrophobicContact CE3-CB 4.12Å; W163-A167 HydrophobicContact CZ3-CB 4.27Å; W163-A167 WeakPolarHBondContact O-CB 3.3Å; W163-A167 PolarHBondContact O-N 3.44Å; A167-Q169 PolarHBondContact O-N 2.68Å; A167-S170 VanDerWaalsContact O-CB 3.25Å; A167-S170 WeakPolarHBondContact O-CB 3.31Å; A167-S170 PolarHBondContact O-N 3.11Å; A167-S170 PolarHBondContact O-OG 2.69Å; A167-V174 HydrophobicContact CB-CG2 4.41Å; A167-L451 HydrophobicContact CB-CD1 4.21Å; A167-L454 HydrophobicContact CB-CD2 4.15Å; A167-L454 VanDerWaalsContact N-CD2 3.33Å
168	G	82.1	Confident	87.8	Confident	61 Å²	61	47.1 Å²	47.1	63%	0.629	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-64.9	-15.1	174.9	0	0	0	0	0	114.9	F166 S170	F166-G168 VanDerWaalsContact C-N 3.25Å; F166-G168 PolarHBondContact O-N 3.31Å; G168-S170 VanDerWaalsContact C-N 3.33Å
169	Q	82.6	Confident	87.7	Confident	71 Å²	71	48.7 Å²	48.7	33%	0.332	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-79.4	-16.3	176.4	-54.8	-173	20.3	0	0	113.1	F166 A167 G171 F450	F166-Q169 VanDerWaalsContact CD1-NE2 3.3Å; F166-Q169 VanDerWaalsContact O-CB 3.31Å; F166-Q169 WeakPolarHBondContact O-CB 3.31Å; F166-Q169 PolarHBondContact O-N 2.78Å; A167-Q169 PolarHBondContact O-N 2.68Å; Q169-G171 PolarHBondContact O-N 2.67Å; Q169-F450 HydrophobicContact CB-CE1 4.39Å; Q169-F450 HydrophobicContact CB-CZ 4.03Å
170	S	80.8	Confident	87.6	Confident	2 Å²	2	50.8 Å²	50.8	1%	0.014	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-64	-17.7	-177.6	67.2	0	0	0	0	115.2	A167 G168 F172 F450	A167-S170 VanDerWaalsContact O-CB 3.25Å; A167-S170 WeakPolarHBondContact O-CB 3.31Å; A167-S170 PolarHBondContact O-N 3.11Å; A167-S170 PolarHBondContact O-OG 2.69Å; G168-S170 VanDerWaalsContact C-N 3.33Å; S170-F172 VanDerWaalsContact C-N 3.28Å; S170-F172 PolarHBondContact OG-N 3.19Å; S170-F172 PolarHBondContact OG-O 2.93Å; S170-F450 VanDerWaalsContact CB-CD1 3.47Å
171	G	79.4	Confident	87.7	Confident	43 Å²	43	50.8 Å²	50.8	44%	0.443	26%	0.261	S	S	.	.	S	Bend	trans	89.5	-20.7	-166.3	0	0	0	0	0	113.8	Q169	Q169-G171 PolarHBondContact O-N 2.67Å
172	F	84.9	Confident	87.7	Confident	6 Å²	6	49.2 Å²	49.2	3%	0.026	26%	0.255	C	S	.	.			trans	-90.5	125.5	175.2	-62.8	-84.4	0	0	0	111.3	S170 V174 I177 C250 F251 Q254 D602 L606	S170-F172 VanDerWaalsContact C-N 3.28Å; S170-F172 PolarHBondContact OG-N 3.19Å; S170-F172 PolarHBondContact OG-O 2.93Å; F172-V174 VanDerWaalsContact C-N 3.32Å; F172-V174 PolarHBondContact O-N 3.2Å; F172-I177 HydrophobicContact CB-CD1 4.25Å; F172-I177 HydrophobicContact CD1-CD1 4.25Å; F172-C250 HydrophobicContact CD1-CB 3.78Å; F172-C250 HydrophobicContact CE1-CB 3.64Å; F172-F251 AromaticContact CE1-CD1 3.8Å; F172-F251 HydrophobicContact CE1-CD1 3.8Å; F172-F251 AromaticContact CE1-CE1 3.89Å; F172-F251 HydrophobicContact CE1-CE1 3.89Å; F172-F251 HydrophobicContact CZ-CD1 4.13Å; F172-F251 HydrophobicContact CZ-CE1 4.37Å; F172-Q254 HydrophobicContact CE2-CB 4.47Å; F172-Q254 HydrophobicContact CE2-CG 4.03Å; F172-Q254 HydrophobicContact CZ-CB 4.09Å; F172-Q254 HydrophobicContact CZ-CG 4.09Å; F172-D602 HydrophobicContact CE2-CB 3.98Å; F172-L606 HydrophobicContact CB-CD1 4.14Å; F172-L606 HydrophobicContact CD1-CD1 3.44Å; F172-L606 VanDerWaalsContact CD1-CD1 3.44Å; F172-L606 HydrophobicContact CD2-CD1 4.24Å; F172-L606 HydrophobicContact CE1-CD1 3.79Å; F172-L606 HydrophobicContact CG-CD1 3.69Å; F172-L606 HydrophobicContact CZ-CD1 4.32Å
173	Q	87.6	Confident	87.6	Confident	100 Å²	100	51.1 Å²	51.1	47%	0.467	26%	0.263	S	S	.	.			trans	-83.2	76.4	171.6	-63.2	-174.6	18.5	0	0	110.1	K175 R176 I177	Q173-K175 VanDerWaalsContact C-N 3.26Å; Q173-K175 PolarHBondContact O-N 3.21Å; Q173-K175 VanDerWaalsContact O-N 3.16Å; Q173-R176 HydrophobicContact CB-CB 4.05Å; Q173-R176 WeakPolarHBondContact O-CA 3.44Å; Q173-R176 WeakPolarHBondContact O-CB 3.37Å; Q173-R176 PolarHBondContact O-N 3.13Å; Q173-R176 VanDerWaalsContact OE1-CZ 3.29Å; Q173-I177 PolarHBondContact O-N 3.06Å; Q173-I177 VanDerWaalsContact O-N 3.14Å
174	V	89.4	Confident	87.5	Confident	8 Å²	8	51.2 Å²	51.2	5%	0.048	26%	0.264	C	S	.	.	H	α-helix	trans	-48.3	-46	-174.8	-170.5	0	0	0	0	112.3	D23 A167 F172 R176 I177 M178 L451 L606 L609	D23-V174 HydrophobicContact CB-CG1 3.9Å; A167-V174 HydrophobicContact CB-CG2 4.41Å; F172-V174 VanDerWaalsContact C-N 3.32Å; F172-V174 PolarHBondContact O-N 3.2Å; V174-R176 VanDerWaalsContact C-N 3.28Å; V174-R176 PolarHBondContact O-N 2.9Å; V174-I177 WeakPolarHBondContact O-CB 3.45Å; V174-I177 PolarHBondContact O-N 3.36Å; V174-I177 VanDerWaalsContact O-N 3.11Å; V174-M178 HydrophobicContact CG1-CE 4.29Å; V174-M178 HydrophobicContact CG1-CG 4.34Å; V174-M178 PolarHBondContact O-N 3.26Å; V174-L451 HydrophobicContact CG2-CD1 4Å; V174-L451 HydrophobicContact CG2-CD2 4.19Å; V174-L606 HydrophobicContact CG1-CD2 4.24Å; V174-L606 HydrophobicContact CG2-CD2 4.32Å; V174-L609 HydrophobicContact CG1-CD2 4.21Å
175	K	87.9	Confident	87.5	Confident	130 Å²	130	48.7 Å²	48.7	57%	0.565	26%	0.261	S	S	*	.	H	α-helix	trans	-51.4	-43.2	175	-170	-168.7	176.9	-170.4	0	113.2	Q173 Q179	Q173-K175 VanDerWaalsContact C-N 3.26Å; Q173-K175 PolarHBondContact O-N 3.21Å; Q173-K175 VanDerWaalsContact O-N 3.16Å; K175-Q179 WeakPolarHBondContact O-CB 3.37Å; K175-Q179 PolarHBondContact O-N 2.9Å
176	R	89.4	Confident	87.4	Confident	112 Å²	112	50.8 Å²	50.8	42%	0.423	27%	0.268	S	S	.	.	H	α-helix	trans	-74	-37.1	-178.6	-162	-166.1	-61.7	-125.3	-1.6	111.2	Q173 V174 Q179 F180	Q173-R176 HydrophobicContact CB-CB 4.05Å; Q173-R176 WeakPolarHBondContact O-CA 3.44Å; Q173-R176 WeakPolarHBondContact O-CB 3.37Å; Q173-R176 PolarHBondContact O-N 3.13Å; Q173-R176 VanDerWaalsContact OE1-CZ 3.29Å; V174-R176 VanDerWaalsContact C-N 3.28Å; V174-R176 PolarHBondContact O-N 2.9Å; R176-Q179 PolarHBondContact O-N 2.93Å; R176-F180 HydrophobicContact CG-CD2 4.08Å; R176-F180 HydrophobicContact CG-CE2 3.67Å; R176-F180 HydrophobicContact CG-CZ 4.13Å; R176-F180 WeakPolarHBondContact O-CD2 3.44Å; R176-F180 WeakPolarHBondContact O-CG 3.43Å; R176-F180 PolarHBondContact O-N 3.41Å
177	I	91.9	Very high	87	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61.8	-48.7	175.2	-62.1	170.8	0	0	0	110	F172 Q173 V174 Q179 F180 A181 L243 Y246 L247 L606 I610	F172-I177 HydrophobicContact CB-CD1 4.25Å; F172-I177 HydrophobicContact CD1-CD1 4.25Å; Q173-I177 PolarHBondContact O-N 3.06Å; Q173-I177 VanDerWaalsContact O-N 3.14Å; V174-I177 WeakPolarHBondContact O-CB 3.45Å; V174-I177 PolarHBondContact O-N 3.36Å; V174-I177 VanDerWaalsContact O-N 3.11Å; I177-Q179 PolarHBondContact O-N 3.08Å; I177-F180 PolarHBondContact O-N 3.1Å; I177-A181 WeakPolarHBondContact O-CB 3.5Å; I177-A181 PolarHBondContact O-N 2.94Å; I177-L243 HydrophobicContact CG2-CD1 4.18Å; I177-Y246 HydrophobicContact CD1-CE1 4.46Å; I177-Y246 HydrophobicContact CG1-CD1 4.16Å; I177-Y246 HydrophobicContact CG1-CE1 3.7Å; I177-L247 HydrophobicContact CD1-CD2 3.99Å; I177-L247 HydrophobicContact CG1-CD2 4.23Å; I177-L247 HydrophobicContact CG2-CD2 3.92Å; I177-L606 HydrophobicContact CD1-CD1 3.91Å; I177-L606 HydrophobicContact CD1-CD2 3.88Å; I177-L606 HydrophobicContact CD1-CG 4.49Å; I177-I610 HydrophobicContact CG2-CD1 3.89Å; I177-I610 HydrophobicContact CG2-CG1 4.44Å
178	M	91.2	Very high	85.9	Confident	6 Å²	6	49.6 Å²	49.6	3%	0.03	28%	0.275	C	S	.	.	H	α-helix	trans	-67.4	-35	177.7	-60.1	-55	141.6	0	0	112.2	D23 V174 A181 S182 L606 L609 I610 Y614	D23-M178 HydrophobicContact CB-CG 4.13Å; V174-M178 HydrophobicContact CG1-CE 4.29Å; V174-M178 HydrophobicContact CG1-CG 4.34Å; V174-M178 PolarHBondContact O-N 3.26Å; M178-A181 PolarHBondContact O-N 3.11Å; M178-S182 PolarHBondContact O-N 3.1Å; M178-L606 HydrophobicContact CE-CD2 4.26Å; M178-L609 HydrophobicContact CE-CB 3.98Å; M178-L609 HydrophobicContact CE-CD2 3.74Å; M178-L609 HydrophobicContact CE-CG 3.78Å; M178-L609 HydrophobicContact SD-CG 4.28Å; M178-I610 HydrophobicContact CE-CG1 3.79Å; M178-I610 HydrophobicContact SD-CG1 3.93Å; M178-Y614 HydrophobicContact CB-CE2 4.2Å; M178-Y614 PolarHBondContact O-OH 2.69Å; M178-Y614 VanDerWaalsContact O-OH 3.07Å; M178-Y614 HydrophobicContact SD-CE2 4.1Å
179	Q	89.9	Confident	84.7	Confident	88 Å²	88	52 Å²	52	41%	0.411	28%	0.28	S	S	.	.	H	α-helix	trans	-61.2	-49.2	172.4	-172.1	-175.7	-38.7	0	0	111.7	K175 R176 I177 A181 S182 E183	K175-Q179 WeakPolarHBondContact O-CB 3.37Å; K175-Q179 PolarHBondContact O-N 2.9Å; R176-Q179 PolarHBondContact O-N 2.93Å; I177-Q179 PolarHBondContact O-N 3.08Å; Q179-A181 VanDerWaalsContact C-N 3.25Å; Q179-A181 PolarHBondContact O-N 3.22Å; Q179-S182 WeakPolarHBondContact O-CA 3.33Å; Q179-S182 VanDerWaalsContact O-CB 3.29Å; Q179-S182 WeakPolarHBondContact O-CB 3.48Å; Q179-S182 PolarHBondContact O-N 3.28Å; Q179-S182 VanDerWaalsContact O-N 3.09Å; Q179-E183 WeakPolarHBondContact CG-OE1 3.38Å; Q179-E183 PolarHBondContact NE2-OE1 3.4Å; Q179-E183 WeakPolarHBondContact O-CG 3.26Å; Q179-E183 PolarHBondContact O-N 3.47Å
180	F	90.9	Very high	83.2	Confident	43 Å²	43	54.6 Å²	54.6	19%	0.189	30%	0.3	C	S	.	.	H	α-helix	trans	-62.6	-31.2	175.4	-71.1	-42	0	0	0	112.7	R176 I177 E183 A184 L243 Y246	R176-F180 HydrophobicContact CG-CD2 4.08Å; R176-F180 HydrophobicContact CG-CE2 3.67Å; R176-F180 HydrophobicContact CG-CZ 4.13Å; R176-F180 WeakPolarHBondContact O-CD2 3.44Å; R176-F180 WeakPolarHBondContact O-CG 3.43Å; R176-F180 PolarHBondContact O-N 3.41Å; I177-F180 PolarHBondContact O-N 3.1Å; F180-E183 WeakPolarHBondContact CD1-OE2 3.49Å; F180-E183 PolarHBondContact O-N 3.1Å; F180-A184 WeakPolarHBondContact O-CB 3.42Å; F180-A184 PolarHBondContact O-N 3.09Å; F180-L243 HydrophobicContact CB-CB 4.17Å; F180-L243 HydrophobicContact CB-CD1 3.93Å; F180-L243 HydrophobicContact CB-CG 4.47Å; F180-Y246 HydrophobicContact CD2-CD1 4.11Å; F180-Y246 HydrophobicContact CD2-CG 4.12Å; F180-Y246 HydrophobicContact CE2-CD1 4.15Å; F180-Y246 AromaticContact CE2-CD2 3.89Å; F180-Y246 HydrophobicContact CE2-CD2 3.89Å; F180-Y246 HydrophobicContact CE2-CE2 4.28Å; F180-Y246 AromaticContact CE2-CG 3.82Å; F180-Y246 HydrophobicContact CE2-CG 3.82Å
181	A	91.2	Very high	81.7	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-70.6	-34.9	172.5	0	0	0	0	0	112.7	I177 M178 Q179 A184 A185 L243 I610 Y614	I177-A181 WeakPolarHBondContact O-CB 3.5Å; I177-A181 PolarHBondContact O-N 2.94Å; M178-A181 PolarHBondContact O-N 3.11Å; Q179-A181 VanDerWaalsContact C-N 3.25Å; Q179-A181 PolarHBondContact O-N 3.22Å; A181-A184 PolarHBondContact O-N 3.34Å; A181-A185 WeakPolarHBondContact O-CB 3.3Å; A181-A185 PolarHBondContact O-N 2.94Å; A181-L243 HydrophobicContact CB-CD2 3.88Å; A181-I610 HydrophobicContact CB-CD1 4.34Å; A181-I610 HydrophobicContact CB-CG1 4.01Å; A181-I610 HydrophobicContact CB-CG2 4.01Å; A181-Y614 HydrophobicContact CB-CD2 3.48Å; A181-Y614 VanDerWaalsContact CB-CD2 3.48Å; A181-Y614 HydrophobicContact CB-CE2 3.68Å; A181-Y614 HydrophobicContact CB-CG 4.11Å
182	S	89.8	Confident	80.2	Confident	27 Å²	27	64 Å²	64	19%	0.189	35%	0.351	C	S	.	.	H	α-helix	trans	-64.2	-42.6	170.4	-156.3	0	0	0	0	111.9	M178 Q179 A184 A185 Q186	M178-S182 PolarHBondContact O-N 3.1Å; Q179-S182 WeakPolarHBondContact O-CA 3.33Å; Q179-S182 VanDerWaalsContact O-CB 3.29Å; Q179-S182 WeakPolarHBondContact O-CB 3.48Å; Q179-S182 PolarHBondContact O-N 3.28Å; Q179-S182 VanDerWaalsContact O-N 3.09Å; S182-A184 VanDerWaalsContact C-N 3.3Å; S182-A185 PolarHBondContact O-N 3.26Å; S182-Q186 VanDerWaalsContact O-CB 3.3Å; S182-Q186 WeakPolarHBondContact O-CB 3.36Å; S182-Q186 VanDerWaalsContact O-CG 3.23Å; S182-Q186 WeakPolarHBondContact O-CG 3.39Å; S182-Q186 PolarHBondContact O-N 3.06Å; S182-Q186 PolarHBondContact OG-NE2 3.24Å; S182-Q186 VanDerWaalsContact OG-NE2 3.17Å
183	E	88.8	Confident	78.1	Confident	80 Å²	80	69.3 Å²	69.3	37%	0.374	38%	0.379	S	S	.	.	H	α-helix	trans	-68.6	-29.1	176.1	-68.8	165.7	-165.2	0	0	111.7	Q179 F180 A187 S239	Q179-E183 WeakPolarHBondContact CG-OE1 3.38Å; Q179-E183 PolarHBondContact NE2-OE1 3.4Å; Q179-E183 WeakPolarHBondContact O-CG 3.26Å; Q179-E183 PolarHBondContact O-N 3.47Å; F180-E183 WeakPolarHBondContact CD1-OE2 3.49Å; F180-E183 PolarHBondContact O-N 3.1Å; E183-A187 WeakPolarHBondContact O-CB 3.44Å; E183-A187 PolarHBondContact O-N 3.45Å; E183-S239 PolarHBondContact O-OG 3.18Å
184	A	89.2	Confident	75.9	Confident	5 Å²	5	70.6 Å²	70.6	4%	0.041	39%	0.394	C	S	.	.	H	α-helix	trans	-72.2	-46.3	170.4	0	0	0	0	0	112.4	F180 A181 S182 A187 S239 V240 L243 V618	F180-A184 WeakPolarHBondContact O-CB 3.42Å; F180-A184 PolarHBondContact O-N 3.09Å; A181-A184 PolarHBondContact O-N 3.34Å; S182-A184 VanDerWaalsContact C-N 3.3Å; A184-A187 PolarHBondContact O-N 3.35Å; A184-S239 WeakPolarHBondContact CA-OG 3.28Å; A184-V240 HydrophobicContact CB-CG2 4.03Å; A184-L243 HydrophobicContact CB-CD2 4.35Å; A184-V618 HydrophobicContact CB-CG1 3.83Å
185	A	87.9	Confident	73.4	Confident	29 Å²	29	74.9 Å²	74.9	24%	0.24	42%	0.424	C	S	.	.	H	α-helix	trans	-64.3	-42.5	178.8	0	0	0	0	0	112.8	A181 S182 A187 A188 Y614 V618	A181-A185 WeakPolarHBondContact O-CB 3.3Å; A181-A185 PolarHBondContact O-N 2.94Å; S182-A185 PolarHBondContact O-N 3.26Å; A185-A187 VanDerWaalsContact C-N 3.28Å; A185-A187 PolarHBondContact O-N 3.2Å; A185-A188 VanDerWaalsContact O-CB 3.31Å; A185-A188 WeakPolarHBondContact O-CB 3.49Å; A185-A188 PolarHBondContact O-N 2.99Å; A185-Y614 HydrophobicContact CB-CD1 3.84Å; A185-Y614 HydrophobicContact CB-CG 4.37Å; A185-V618 HydrophobicContact CB-CG2 4Å
186	Q	86	Confident	71	Confident	155 Å²	155	74.9 Å²	74.9	72%	0.724	44%	0.439	S	S	*	.	H	α-helix	trans	-74.3	-17.7	179.3	-69.8	168.5	11.1	0	0	113.3	S182 A188	S182-Q186 VanDerWaalsContact O-CB 3.3Å; S182-Q186 WeakPolarHBondContact O-CB 3.36Å; S182-Q186 VanDerWaalsContact O-CG 3.23Å; S182-Q186 WeakPolarHBondContact O-CG 3.39Å; S182-Q186 PolarHBondContact O-N 3.06Å; S182-Q186 PolarHBondContact OG-NE2 3.24Å; S182-Q186 VanDerWaalsContact OG-NE2 3.17Å; Q186-A188 VanDerWaalsContact C-N 3.28Å
187	A	79.3	Confident	68.4	Low	23 Å²	23	77.2 Å²	77.2	19%	0.19	46%	0.455	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	3.9	174.6	0	0	0	0	0	113.4	E183 A184 A185 A236 S239	E183-A187 WeakPolarHBondContact O-CB 3.44Å; E183-A187 PolarHBondContact O-N 3.45Å; A184-A187 PolarHBondContact O-N 3.35Å; A185-A187 VanDerWaalsContact C-N 3.28Å; A185-A187 PolarHBondContact O-N 3.2Å; A187-A236 VanDerWaalsContact O-CA 3.29Å; A187-A236 WeakPolarHBondContact O-CA 3.21Å; A187-A236 WeakPolarHBondContact O-CB 3.44Å; A187-A236 PolarHBondContact O-N 2.98Å; A187-S239 WeakPolarHBondContact CB-OG 3.32Å
188	A	63.3	Low	65.8	Low	53 Å²	53	83 Å²	83	44%	0.438	49%	0.493	S	S	.	.	S	Bend	trans	-53.5	144.4	174.2	0	0	0	0	0	111.4	A185 Q186 T190	A185-A188 VanDerWaalsContact O-CB 3.31Å; A185-A188 WeakPolarHBondContact O-CB 3.49Å; A185-A188 PolarHBondContact O-N 2.99Å; Q186-A188 VanDerWaalsContact C-N 3.28Å; A188-T190 PolarHBondContact O-N 3.5Å
189	P	57.2	Low	63.3	Low	112 Å²	112	89.9 Å²	89.9	73%	0.727	52%	0.524	S	S	*	.			trans	-68.7	109	-172.4	27.5	-34.4	0	0	0	111.5
190	T	50.4	Low	60.6	Low	125 Å²	125	92.2 Å²	92.2	77%	0.767	55%	0.545	S	S	*	.			trans	-60.6	135.6	160.2	48.2	0	0	0	0	109.5	A188 G192	A188-T190 PolarHBondContact O-N 3.5Å; T190-G192 PolarHBondContact O-N 2.93Å
191	E	50.5	Low	58.2	Low	176 Å²	176	98.6 Å²	98.6	82%	0.822	58%	0.576	S	S	*	*	G	3₁₀ helix	trans	-68.3	11.7	-163.5	-56.4	178	131.3	0	0	116.3	D193 T194	E191-D193 VanDerWaalsContact C-N 3.31Å; E191-D193 PolarHBondContact O-N 2.85Å; E191-T194 PolarHBondContact O-N 3.25Å; E191-T194 PolarHBondContact O-OG1 2.81Å
192	G	47.5	Very low	55.4	Low	67 Å²	67	103.7 Å²	103.7	69%	0.691	61%	0.611	S	S	*	*	G	3₁₀ helix	trans	-69	-14.1	-171	0	0	0	0	0	116.7	T190 T194	T190-G192 PolarHBondContact O-N 2.93Å; G192-T194 PolarHBondContact O-N 3.33Å
193	D	40.8	Very low	52.8	Low	117 Å²	117	107.5 Å²	107.5	63%	0.626	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-82	6	178.4	-71.7	-19.4	0	0	0	113.4	E191 S195 S232	E191-D193 VanDerWaalsContact C-N 3.31Å; E191-D193 PolarHBondContact O-N 2.85Å; D193-S195 PolarHBondContact O-N 3.07Å; D193-S232 WeakPolarHBondContact OD2-CB 3.49Å
194	T	42.3	Very low	50.5	Low	126 Å²	126	112.4 Å²	112.4	77%	0.773	66%	0.661	S	S	*	*			trans	-81.8	53.4	-174.3	-44	0	0	0	0	112.7	E191 G192	E191-T194 PolarHBondContact O-N 3.25Å; E191-T194 PolarHBondContact O-OG1 2.81Å; G192-T194 PolarHBondContact O-N 3.33Å
195	S	35.6	Very low	48	Very low	98 Å²	98	118 Å²	118	69%	0.685	69%	0.694	S	S	*	*			trans	-131.3	63.5	-177.3	72.5	0	0	0	0	114.4	D193	D193-S195 PolarHBondContact O-N 3.07Å
196	C	37.3	Very low	45.6	Very low	130 Å²	130	122.8 Å²	122.8	88%	0.878	72%	0.716	S	S	*	*			trans	-127.4	85.5	159.6	-73.5	0	0	0	0	109.9
197	Q	35	Very low	43.4	Very low	161 Å²	161	122.5 Å²	122.5	75%	0.752	71%	0.714	S	S	*	*			trans	-70	137.2	168.6	-72.6	-177.3	-17.9	0	0	110.1	Q199	Q197-Q199 PolarHBondContact O-N 2.9Å
198	P	36.9	Very low	41.5	Very low	123 Å²	123	128.9 Å²	128.9	80%	0.799	74%	0.743	S	S	*	*			trans	-75.5	93.3	167.7	31.3	-32.2	0	0	0	109.1	T200	P198-T200 PolarHBondContact O-N 3.31Å
199	Q	40.2	Very low	40.4	Very low	149 Å²	149	131.5 Å²	131.5	70%	0.696	75%	0.75	S	S	*	*			trans	-74.2	95.5	174.2	-72.3	-166.2	-4.7	0	0	110.7	Q197 Q201	Q197-Q199 PolarHBondContact O-N 2.9Å; Q199-Q201 PolarHBondContact O-N 2.75Å
200	T	31.7	Very low	39.6	Very low	138 Å²	138	134.3 Å²	134.3	85%	0.847	75%	0.754	S	S	*	*			trans	-68	109.3	159.4	47.3	0	0	0	0	109.3	P198	P198-T200 PolarHBondContact O-N 3.31Å
201	Q	40.6	Very low	39	Very low	177 Å²	177	134.3 Å²	134.3	83%	0.827	76%	0.758	S	S	*	*			trans	-124.1	155.3	158.5	-70	-163.4	8.2	0	0	109.8	Q199	Q199-Q201 PolarHBondContact O-N 2.75Å
202	S	32.8	Very low	38.3	Very low	106 Å²	106	135.5 Å²	135.5	74%	0.741	76%	0.761	S	S	*	*			trans	-117.7	162.2	-155.4	53.6	0	0	0	0	113.7
203	S	36.2	Very low	37.8	Very low	107 Å²	107	142 Å²	142	75%	0.748	77%	0.77	S	S	*	*			trans	85.9	154.7	155.6	-51.9	0	0	0	0	118.2
204	Q	39.7	Very low	37.5	Very low	184 Å²	184	147.5 Å²	147.5	86%	0.86	78%	0.782	S	S	*	*			trans	69.5	99.5	179.8	-58.5	-178	-4.5	0	0	113.9
205	V	36	Very low	37.3	Very low	123 Å²	123	147.7 Å²	147.7	75%	0.745	78%	0.784	S	S	*	*			cis	87.8	122.2	37.6	-177.1	0	0	0	0	113.1
206	D	37.5	Very low	37.1	Very low	129 Å²	129	148 Å²	148	69%	0.69	79%	0.786	S	S	*	*			trans	64.3	145.9	163.2	-75.1	-26.1	0	0	0	119.3
207	Q	41.1	Very low	37.1	Very low	149 Å²	149	147.8 Å²	147.8	70%	0.696	78%	0.78	S	S	*	*			cis	-160.9	-158.8	-22.4	-140.9	179.4	88	0	0	108.2
208	I	39.7	Very low	37.2	Very low	156 Å²	156	147.7 Å²	147.7	80%	0.8	78%	0.783	S	S	*	*			trans	72.6	141.8	167.1	-48.2	174.8	0	0	0	115.6
209	N	38.6	Very low	36.9	Very low	109 Å²	109	146.2 Å²	146.2	58%	0.583	78%	0.781	S	S	*	*				-165.1	152.1	-50.7	-121.5	-48.4	0	0	0	107.8
210	Q	41.2	Very low	36.9	Very low	171 Å²	171	147 Å²	147	80%	0.799	79%	0.789	S	S	*	*			trans	36.4	107.4	148.4	-63.1	163.6	53.6	0	0	120.2
211	S	38.3	Very low	37.2	Very low	124 Å²	124	146.5 Å²	146.5	87%	0.867	78%	0.781	S	S	*	*				-160.9	128	109	-169.7	0	0	0	0	112
212	K	35.5	Very low	37	Very low	202 Å²	202	145 Å²	145	88%	0.878	78%	0.784	S	S	*	*			trans	-141.7	113.9	170	-103.9	-173.7	178.7	176	0	108.5
213	K	37.8	Very low	37.2	Very low	203 Å²	203	147.2 Å²	147.2	88%	0.883	79%	0.785	S	S	*	*			trans	-158.8	152.4	155.2	-110.8	156.4	-171.6	175.2	0	111.8
214	R	34.2	Very low	36.9	Very low	232 Å²	232	145.8 Å²	145.8	88%	0.875	79%	0.787	S	S	*	*			trans	-27.2	154	166.9	-61.9	167.1	169.6	164.3	-5.9	114.4
215	T	37.2	Very low	36.5	Very low	131 Å²	131	146 Å²	146	80%	0.804	79%	0.785	S	S	*	*			cis	-150.8	165.9	42.2	-50.1	0	0	0	0	113.7
216	S	32.4	Very low	36.3	Very low	104 Å²	104	145.5 Å²	145.5	73%	0.727	79%	0.788	S	S	*	*			trans	-63.6	147.6	176.4	51.3	0	0	0	0	114.7
217	V	37.2	Very low	36.2	Very low	126 Å²	126	144.6 Å²	144.6	76%	0.764	79%	0.791	S	S	*	*				-173.9	136.2	121.4	143.2	0	0	0	0	109
218	I	35.3	Very low	36	Very low	159 Å²	159	143 Å²	143	82%	0.815	80%	0.797	S	S	*	*			trans	42.5	99.7	170.4	-59.2	159.7	0	0	0	115.9
219	A	32.5	Very low	36	Very low	91 Å²	91	138.9 Å²	138.9	75%	0.752	79%	0.786	S	S	*	*			trans	-119.5	115.1	166.7	0	0	0	0	0	110.4
220	L	39.4	Very low	36.1	Very low	166 Å²	166	139 Å²	139	87%	0.869	79%	0.793	S	S	*	*			trans	-125.6	118.6	170.3	-129.8	161.4	0	0	0	106.4	T222	L220-T222 PolarHBondContact O-N 3.23Å; L220-T222 VanDerWaalsContact O-N 3.09Å
221	N	38.3	Very low	36	Very low	128 Å²	128	137.6 Å²	137.6	68%	0.684	79%	0.791	S	S	*	*			trans	-78.6	100.3	-144.6	-66	-43.6	0	0	0	115.4	M223	N221-M223 PolarHBondContact O-N 3.49Å; N221-M223 VanDerWaalsContact O-N 3.16Å
222	T	35.2	Very low	36.1	Very low	145 Å²	145	135.4 Å²	135.4	89%	0.89	78%	0.775	S	S	*	*			trans	-72.1	91.2	146.7	41.6	0	0	0	0	109.8	L220	L220-T222 PolarHBondContact O-N 3.23Å; L220-T222 VanDerWaalsContact O-N 3.09Å
223	M	37.2	Very low	36.7	Very low	152 Å²	152	130.1 Å²	130.1	75%	0.749	76%	0.764	S	S	*	*			trans	-117.4	113.1	163.1	-78.5	-171.8	173.1	0	0	109.5	N221	N221-M223 PolarHBondContact O-N 3.49Å; N221-M223 VanDerWaalsContact O-N 3.16Å
224	G	30.1	Very low	37.3	Very low	78 Å²	78	126.3 Å²	126.3	80%	0.804	75%	0.748	S	S	*	*			trans	-71.7	140.7	165.2	0	0	0	0	0	110
225	F	32.3	Very low	38.4	Very low	187 Å²	187	119 Å²	119	82%	0.82	73%	0.733	S	S	*	*			trans	-135.4	109.4	168.1	-128.1	-86.8	0	0	0	109.7	S227	F225-S227 PolarHBondContact O-N 3.35Å
226	S	31.6	Very low	39.7	Very low	113 Å²	113	114 Å²	114	79%	0.79	71%	0.705	S	S	*	*			trans	-69.6	93.2	175.9	33.4	0	0	0	0	110.2	S228	S226-S228 VanDerWaalsContact C-N 3.3Å; S226-S228 PolarHBondContact O-N 3.25Å
227	S	36.3	Very low	41.9	Very low	110 Å²	110	111.8 Å²	111.8	77%	0.769	69%	0.686	S	S	*	*			trans	-83.6	66.2	-178.4	44.3	0	0	0	0	112.7	F225 A229	F225-S227 PolarHBondContact O-N 3.35Å; S227-A229 VanDerWaalsContact C-N 3.3Å; S227-A229 PolarHBondContact O-N 3.31Å
228	S	35.8	Very low	44.2	Very low	117 Å²	117	110.4 Å²	110.4	82%	0.818	67%	0.67	S	S	*	*			trans	-69.5	82.9	169.2	56.2	0	0	0	0	111.1	S226	S226-S228 VanDerWaalsContact C-N 3.3Å; S226-S228 PolarHBondContact O-N 3.25Å
229	A	40.1	Very low	46.8	Very low	69 Å²	69	104 Å²	104	57%	0.57	64%	0.639	S	S	*	*			trans	-70	142.9	175.8	0	0	0	0	0	111.7	S227	S227-A229 VanDerWaalsContact C-N 3.3Å; S227-A229 PolarHBondContact O-N 3.31Å
230	P	40	Very low	49.5	Very low	112 Å²	112	100.2 Å²	100.2	73%	0.727	61%	0.607	S	S	*	*			trans	-72.8	132.2	-178.6	28.9	-34.3	0	0	0	112
231	N	38.9	Very low	52	Low	140 Å²	140	95.8 Å²	95.8	75%	0.749	58%	0.581	S	S	*	*			trans	-94.4	7.1	-165.3	-75.5	-51.3	0	0	0	116.1
232	S	41.4	Very low	54.6	Low	78 Å²	78	93 Å²	93	55%	0.545	57%	0.569	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.4	-39.6	-168.7	46.5	0	0	0	0	115.6	D193 F234	D193-S232 WeakPolarHBondContact OD2-CB 3.49Å; S232-F234 PolarHBondContact O-N 3.46Å
233	S	46.8	Very low	57.4	Low	92 Å²	92	86.1 Å²	86.1	64%	0.643	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	16.9	-173	62.4	0	0	0	0	116	T237	S233-T237 PolarHBondContact O-OG1 3.17Å; S233-T237 VanDerWaalsContact O-OG1 3.11Å
234	F	52	Low	60.1	Low	122 Å²	122	79.1 Å²	79.1	54%	0.535	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	4.6	-160.1	-166.5	-148.4	0	0	0	115.2	S232 K238	S232-F234 PolarHBondContact O-N 3.46Å; F234-K238 VanDerWaalsContact CD1-CE 3.48Å; F234-K238 HydrophobicContact CD2-CD 4.46Å; F234-K238 HydrophobicContact CD2-CG 4.27Å; F234-K238 VanDerWaalsContact CE1-NZ 3.3Å; F234-K238 HydrophobicContact CE2-CD 4.42Å; F234-K238 HydrophobicContact CE2-CG 4.21Å; F234-K238 WeakPolarHBondContact O-CD 3.08Å; F234-K238 WeakPolarHBondContact O-CE 3.28Å; F234-K238 VanDerWaalsContact O-CG 3.26Å; F234-K238 WeakPolarHBondContact O-CG 3.08Å; F234-K238 PolarHBondContact O-NZ 2.92Å; F234-K238 VanDerWaalsContact O-NZ 3.14Å
235	S	56.2	Low	63.1	Low	80 Å²	80	83 Å²	83	56%	0.559	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-66.4	178.6	-159.1	0	0	0	0	112.6	T237 K238	S235-T237 PolarHBondContact O-N 3.01Å; S235-T237 VanDerWaalsContact O-N 3.13Å; S235-K238 WeakPolarHBondContact O-CB 3.26Å; S235-K238 PolarHBondContact O-N 2.87Å
236	A	65	Low	66	Low	26 Å²	26	76.4 Å²	76.4	22%	0.215	45%	0.453	C	S	.	.	H	α-helix	trans	-47.1	-45.1	178.4	0	0	0	0	0	113.1	A187 K238 S239 V240	A187-A236 VanDerWaalsContact O-CA 3.29Å; A187-A236 WeakPolarHBondContact O-CA 3.21Å; A187-A236 WeakPolarHBondContact O-CB 3.44Å; A187-A236 PolarHBondContact O-N 2.98Å; A236-K238 VanDerWaalsContact C-N 3.28Å; A236-K238 PolarHBondContact O-N 3.4Å; A236-S239 PolarHBondContact O-N 3.34Å; A236-S239 PolarHBondContact O-OG 3.31Å; A236-S239 VanDerWaalsContact O-OG 3.07Å; A236-V240 WeakPolarHBondContact O-CG2 3.47Å; A236-V240 PolarHBondContact O-N 3.44Å
237	T	78.7	Confident	68.9	Low	56 Å²	56	71 Å²	71	34%	0.344	42%	0.415	S	S	.	.	H	α-helix	trans	-68	-24.1	-176.5	55.5	0	0	0	0	113	S233 S235 K241	S233-T237 PolarHBondContact O-OG1 3.17Å; S233-T237 VanDerWaalsContact O-OG1 3.11Å; S235-T237 PolarHBondContact O-N 3.01Å; S235-T237 VanDerWaalsContact O-N 3.13Å; T237-K241 WeakPolarHBondContact O-CB 3.38Å; T237-K241 VanDerWaalsContact O-CD 3.26Å; T237-K241 WeakPolarHBondContact O-CD 3.18Å; T237-K241 WeakPolarHBondContact O-CG 3.36Å; T237-K241 PolarHBondContact O-N 3.34Å; T237-K241 VanDerWaalsContact O-N 3.11Å
238	K	85.4	Confident	71.6	Confident	97 Å²	97	66.5 Å²	66.5	42%	0.422	38%	0.382	S	S	.	.	H	α-helix	trans	-74.2	-45.4	176.4	-75.5	171.3	-173.4	148	0	112.8	F234 S235 A236 K241 T242	F234-K238 VanDerWaalsContact CD1-CE 3.48Å; F234-K238 HydrophobicContact CD2-CD 4.46Å; F234-K238 HydrophobicContact CD2-CG 4.27Å; F234-K238 VanDerWaalsContact CE1-NZ 3.3Å; F234-K238 HydrophobicContact CE2-CD 4.42Å; F234-K238 HydrophobicContact CE2-CG 4.21Å; F234-K238 WeakPolarHBondContact O-CD 3.08Å; F234-K238 WeakPolarHBondContact O-CE 3.28Å; F234-K238 VanDerWaalsContact O-CG 3.26Å; F234-K238 WeakPolarHBondContact O-CG 3.08Å; F234-K238 PolarHBondContact O-NZ 2.92Å; F234-K238 VanDerWaalsContact O-NZ 3.14Å; S235-K238 WeakPolarHBondContact O-CB 3.26Å; S235-K238 PolarHBondContact O-N 2.87Å; A236-K238 VanDerWaalsContact C-N 3.28Å; A236-K238 PolarHBondContact O-N 3.4Å; K238-K241 PolarHBondContact O-N 3.06Å; K238-T242 WeakPolarHBondContact O-CB 3.43Å; K238-T242 PolarHBondContact O-N 2.79Å; K238-T242 PolarHBondContact O-OG1 3.34Å
239	S	89	Confident	74.2	Confident	24 Å²	24	67.4 Å²	67.4	17%	0.168	38%	0.375	C	S	.	.	H	α-helix	trans	-67.9	-43.4	-177.9	42.6	0	0	0	0	110.5	E183 A184 A187 A236 K241 T242 L243	E183-S239 PolarHBondContact O-OG 3.18Å; A184-S239 WeakPolarHBondContact CA-OG 3.28Å; A187-S239 WeakPolarHBondContact CB-OG 3.32Å; A236-S239 PolarHBondContact O-N 3.34Å; A236-S239 PolarHBondContact O-OG 3.31Å; A236-S239 VanDerWaalsContact O-OG 3.07Å; S239-K241 PolarHBondContact O-N 2.8Å; S239-T242 PolarHBondContact O-N 3.44Å; S239-L243 WeakPolarHBondContact O-CB 3.34Å; S239-L243 PolarHBondContact O-N 2.87Å
240	V	91.1	Very high	76.6	Confident	13 Å²	13	65 Å²	65	8%	0.079	35%	0.354	C	S	.	.	H	α-helix	trans	-54.8	-51	168.6	173.2	0	0	0	0	111.6	A184 A236 T242 L243 A244 D621 T622 E625	A184-V240 HydrophobicContact CB-CG2 4.03Å; A236-V240 WeakPolarHBondContact O-CG2 3.47Å; A236-V240 PolarHBondContact O-N 3.44Å; V240-T242 VanDerWaalsContact C-N 3.28Å; V240-T242 PolarHBondContact O-N 2.92Å; V240-L243 PolarHBondContact O-N 3Å; V240-A244 WeakPolarHBondContact O-CB 3.29Å; V240-A244 PolarHBondContact O-N 2.88Å; V240-D621 HydrophobicContact CG1-CB 3.77Å; V240-D621 HydrophobicContact CG2-CB 4.4Å; V240-T622 HydrophobicContact CG1-CG2 4.01Å; V240-E625 HydrophobicContact CG1-CG 4.23Å
241	K	91.6	Very high	79	Confident	73 Å²	73	59.7 Å²	59.7	32%	0.317	32%	0.32	S	S	.	.	H	α-helix	trans	-61.4	-34.2	178	-80.2	168.6	-178.4	168.8	0	113.2	T237 K238 S239 R245 E625	T237-K241 WeakPolarHBondContact O-CB 3.38Å; T237-K241 VanDerWaalsContact O-CD 3.26Å; T237-K241 WeakPolarHBondContact O-CD 3.18Å; T237-K241 WeakPolarHBondContact O-CG 3.36Å; T237-K241 PolarHBondContact O-N 3.34Å; T237-K241 VanDerWaalsContact O-N 3.11Å; K238-K241 PolarHBondContact O-N 3.06Å; S239-K241 PolarHBondContact O-N 2.8Å; K241-R245 WeakPolarHBondContact O-CB 3.29Å; K241-R245 WeakPolarHBondContact O-CD 3.35Å; K241-R245 WeakPolarHBondContact O-CG 3.37Å; K241-R245 PolarHBondContact O-N 3.28Å; K241-E625 WeakPolarHBondContact CE-OE1 3.27Å; K241-E625 VanDerWaalsContact CE-OE2 3.27Å; K241-E625 WeakPolarHBondContact CE-OE2 3.25Å; K241-E625 HydrophobicContact CG-CG 3.95Å; K241-E625 WeakPolarHBondContact CG-OE2 3.48Å; K241-E625 IonicContact NZ-OE1 2.81Å
242	T	92.3	Very high	81.3	Confident	70 Å²	70	54.7 Å²	54.7	43%	0.429	29%	0.292	S	S	.	.	H	α-helix	trans	-70.4	-44.4	177.7	-57.7	0	0	0	0	110.9	K238 S239 V240 R245 Y246	K238-T242 WeakPolarHBondContact O-CB 3.43Å; K238-T242 PolarHBondContact O-N 2.79Å; K238-T242 PolarHBondContact O-OG1 3.34Å; S239-T242 PolarHBondContact O-N 3.44Å; V240-T242 VanDerWaalsContact C-N 3.28Å; V240-T242 PolarHBondContact O-N 2.92Å; T242-R245 PolarHBondContact O-N 3.34Å; T242-Y246 WeakPolarHBondContact O-CB 3.47Å; T242-Y246 PolarHBondContact O-N 2.96Å
243	L	93.7	Very high	83.4	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-61.6	-47	173.2	172.2	54.5	0	0	0	111.9	I177 F180 A181 A184 S239 V240 R245 Y246 L247 I610 T622	I177-L243 HydrophobicContact CG2-CD1 4.18Å; F180-L243 HydrophobicContact CB-CB 4.17Å; F180-L243 HydrophobicContact CB-CD1 3.93Å; F180-L243 HydrophobicContact CB-CG 4.47Å; A181-L243 HydrophobicContact CB-CD2 3.88Å; A184-L243 HydrophobicContact CB-CD2 4.35Å; S239-L243 WeakPolarHBondContact O-CB 3.34Å; S239-L243 PolarHBondContact O-N 2.87Å; V240-L243 PolarHBondContact O-N 3Å; L243-R245 PolarHBondContact O-N 3.37Å; L243-Y246 PolarHBondContact O-N 3.47Å; L243-L247 HydrophobicContact CD1-CD1 3.85Å; L243-L247 HydrophobicContact CD1-CG 4Å; L243-L247 HydrophobicContact CG-CD1 4.18Å; L243-L247 WeakPolarHBondContact O-CB 3.37Å; L243-L247 WeakPolarHBondContact O-CG 3.01Å; L243-L247 PolarHBondContact O-N 3.29Å; L243-I610 HydrophobicContact CD1-CD1 4.48Å; L243-I610 HydrophobicContact CD2-CD1 4.42Å; L243-T622 HydrophobicContact CB-CG2 4.33Å; L243-T622 HydrophobicContact CD2-CG2 3.51Å; L243-T622 HydrophobicContact CG-CG2 3.77Å
244	A	94	Very high	85.2	Confident	4 Å²	4	55.3 Å²	55.3	3%	0.033	27%	0.269	C	S	.	.	H	α-helix	trans	-60.6	-45.3	177.6	0	0	0	0	0	112.2	V240 Y246 L247 D248 E625 L626	V240-A244 WeakPolarHBondContact O-CB 3.29Å; V240-A244 PolarHBondContact O-N 2.88Å; A244-Y246 PolarHBondContact O-N 2.9Å; A244-L247 PolarHBondContact O-N 3.02Å; A244-D248 WeakPolarHBondContact O-CB 3.44Å; A244-D248 PolarHBondContact O-N 3.48Å; A244-E625 HydrophobicContact CB-CB 3.52Å; A244-L626 HydrophobicContact CB-CG 4.26Å; A244-L626 WeakPolarHBondContact O-CD2 3.33Å
245	R	93.2	Very high	86.7	Confident	160 Å²	160	52 Å²	52	60%	0.604	25%	0.253	S	S	*	.	H	α-helix	trans	-61.8	-42.2	173.9	-72.9	168.4	-176.2	-176.7	0.1	112.3	K241 T242 L243 D248 M249	K241-R245 WeakPolarHBondContact O-CB 3.29Å; K241-R245 WeakPolarHBondContact O-CD 3.35Å; K241-R245 WeakPolarHBondContact O-CG 3.37Å; K241-R245 PolarHBondContact O-N 3.28Å; T242-R245 PolarHBondContact O-N 3.34Å; L243-R245 PolarHBondContact O-N 3.37Å; R245-D248 PolarHBondContact O-N 3.09Å; R245-M249 WeakPolarHBondContact O-CG 3.18Å; R245-M249 PolarHBondContact O-N 3.09Å
246	Y	93.4	Very high	87.9	Confident	48 Å²	48	52.2 Å²	52.2	19%	0.188	25%	0.245	C	C	.	.	H	α-helix	trans	-64.5	-39.8	177.3	-177.9	-94.2	0	0	0	112.1	I177 F180 T242 L243 A244 C250	I177-Y246 HydrophobicContact CD1-CE1 4.46Å; I177-Y246 HydrophobicContact CG1-CD1 4.16Å; I177-Y246 HydrophobicContact CG1-CE1 3.7Å; F180-Y246 HydrophobicContact CD2-CD1 4.11Å; F180-Y246 HydrophobicContact CD2-CG 4.12Å; F180-Y246 HydrophobicContact CE2-CD1 4.15Å; F180-Y246 AromaticContact CE2-CD2 3.89Å; F180-Y246 HydrophobicContact CE2-CD2 3.89Å; F180-Y246 HydrophobicContact CE2-CE2 4.28Å; F180-Y246 AromaticContact CE2-CG 3.82Å; F180-Y246 HydrophobicContact CE2-CG 3.82Å; T242-Y246 WeakPolarHBondContact O-CB 3.47Å; T242-Y246 PolarHBondContact O-N 2.96Å; L243-Y246 PolarHBondContact O-N 3.47Å; A244-Y246 PolarHBondContact O-N 2.9Å; Y246-C250 PolarHBondContact O-N 3.1Å; Y246-C250 VanDerWaalsContact O-N 3.12Å; Y246-C250 PolarHBondContact O-SG 3.27Å
247	L	93.2	Very high	88.5	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-66.1	-45.5	174	-74.5	173.8	0	0	0	111.9	I177 L243 A244 M249 C250 F251 L607 I610 L626	I177-L247 HydrophobicContact CD1-CD2 3.99Å; I177-L247 HydrophobicContact CG1-CD2 4.23Å; I177-L247 HydrophobicContact CG2-CD2 3.92Å; L243-L247 HydrophobicContact CD1-CD1 3.85Å; L243-L247 HydrophobicContact CD1-CG 4Å; L243-L247 HydrophobicContact CG-CD1 4.18Å; L243-L247 WeakPolarHBondContact O-CB 3.37Å; L243-L247 WeakPolarHBondContact O-CG 3.01Å; L243-L247 PolarHBondContact O-N 3.29Å; A244-L247 PolarHBondContact O-N 3.02Å; L247-M249 PolarHBondContact O-N 2.91Å; L247-C250 CarbonylContact O-C 3.48Å; L247-C250 WeakPolarHBondContact O-CA 3.36Å; L247-C250 WeakPolarHBondContact O-CB 3.33Å; L247-C250 PolarHBondContact O-N 2.99Å; L247-F251 HydrophobicContact CB-CD2 4.48Å; L247-F251 HydrophobicContact CB-CE2 3.92Å; L247-F251 HydrophobicContact CB-CZ 4.02Å; L247-F251 HydrophobicContact CD2-CE1 4.31Å; L247-F251 HydrophobicContact CD2-CZ 4.01Å; L247-F251 HydrophobicContact CG-CZ 4.45Å; L247-F251 WeakPolarHBondContact O-CD2 3.41Å; L247-F251 WeakPolarHBondContact O-CG 3.29Å; L247-F251 PolarHBondContact O-N 2.96Å; L247-L607 HydrophobicContact CD1-CD2 3.95Å; L247-I610 HydrophobicContact CD1-CD1 4.29Å; L247-L626 HydrophobicContact CB-CD1 4.33Å; L247-L626 HydrophobicContact CB-CD2 4.11Å; L247-L626 HydrophobicContact CD1-CD1 4.26Å
248	D	92.3	Very high	88.4	Confident	15 Å²	15	53.3 Å²	53.3	8%	0.08	24%	0.241	C	C	.	.	H	α-helix	trans	-55.5	-47.5	174.6	174.7	45.1	0	0	0	111.7	A244 R245 C250 F251 M252 H598 L626 R633	A244-D248 WeakPolarHBondContact O-CB 3.44Å; A244-D248 PolarHBondContact O-N 3.48Å; R245-D248 PolarHBondContact O-N 3.09Å; D248-C250 VanDerWaalsContact C-N 3.31Å; D248-C250 PolarHBondContact O-N 3.42Å; D248-F251 PolarHBondContact O-N 3.39Å; D248-M252 WeakPolarHBondContact O-CB 3.48Å; D248-M252 VanDerWaalsContact O-CG 3.25Å; D248-M252 WeakPolarHBondContact O-CG 3.39Å; D248-M252 PolarHBondContact O-N 3.37Å; D248-H598 IonicContact OD1-CE1 3.1Å; D248-H598 PolarHBondContact OD1-CE1 3.22Å; D248-L626 HydrophobicContact CB-CD2 3.93Å; D248-R633 IonicContact OD1-CZ 3.41Å; D248-R633 IonicContact OD1-NH1 3.21Å; D248-R633 PolarHBondContact OD1-NH1 2.75Å; D248-R633 IonicContact OD1-NH2 2.7Å; D248-R633 IonicContact OD2-CZ 2.67Å; D248-R633 IonicContact OD2-NH1 3.96Å; D248-R633 PolarHBondContact OD2-NH1 3.35Å; D248-R633 IonicContact OD2-NH2 3.11Å; D248-R633 PolarHBondContact OD2-NH2 2.86Å
249	M	90.3	Very high	88	Confident	137 Å²	137	53.9 Å²	53.9	68%	0.675	24%	0.241	S	C	*	.	H	α-helix	trans	-59.1	-40.3	174.9	-70.8	-178.5	76.8	0	0	112.4	R245 L247 R253	R245-M249 WeakPolarHBondContact O-CG 3.18Å; R245-M249 PolarHBondContact O-N 3.09Å; L247-M249 PolarHBondContact O-N 2.91Å; M249-R253 WeakPolarHBondContact O-CB 3.43Å; M249-R253 PolarHBondContact O-N 3.01Å
250	C	90.3	Very high	87.5	Confident	18 Å²	18	55.6 Å²	55.6	12%	0.122	26%	0.257	C	S	.	.	H	α-helix	trans	-67.8	-43.1	175.9	-66	0	0	0	0	112.1	F172 Y246 L247 D248 R253 Q254	F172-C250 HydrophobicContact CD1-CB 3.78Å; F172-C250 HydrophobicContact CE1-CB 3.64Å; Y246-C250 PolarHBondContact O-N 3.1Å; Y246-C250 VanDerWaalsContact O-N 3.12Å; Y246-C250 PolarHBondContact O-SG 3.27Å; L247-C250 CarbonylContact O-C 3.48Å; L247-C250 WeakPolarHBondContact O-CA 3.36Å; L247-C250 WeakPolarHBondContact O-CB 3.33Å; L247-C250 PolarHBondContact O-N 2.99Å; D248-C250 VanDerWaalsContact C-N 3.31Å; D248-C250 PolarHBondContact O-N 3.42Å; C250-R253 PolarHBondContact O-N 2.99Å; C250-Q254 WeakPolarHBondContact O-CB 3.49Å; C250-Q254 PolarHBondContact O-N 3.41Å
251	F	90.6	Very high	86.5	Confident	1 Å²	1	59.5 Å²	59.5	0%	0.004	27%	0.272	C	S	.	.	H	α-helix	trans	-67	-39.8	178.7	-60.6	-23.5	0	0	0	111.9	F172 L247 D248 Q254 R255 H598 M599 G603 L626	F172-F251 AromaticContact CE1-CD1 3.8Å; F172-F251 HydrophobicContact CE1-CD1 3.8Å; F172-F251 AromaticContact CE1-CE1 3.89Å; F172-F251 HydrophobicContact CE1-CE1 3.89Å; F172-F251 HydrophobicContact CZ-CD1 4.13Å; F172-F251 HydrophobicContact CZ-CE1 4.37Å; L247-F251 HydrophobicContact CB-CD2 4.48Å; L247-F251 HydrophobicContact CB-CE2 3.92Å; L247-F251 HydrophobicContact CB-CZ 4.02Å; L247-F251 HydrophobicContact CD2-CE1 4.31Å; L247-F251 HydrophobicContact CD2-CZ 4.01Å; L247-F251 HydrophobicContact CG-CZ 4.45Å; L247-F251 WeakPolarHBondContact O-CD2 3.41Å; L247-F251 WeakPolarHBondContact O-CG 3.29Å; L247-F251 PolarHBondContact O-N 2.96Å; D248-F251 PolarHBondContact O-N 3.39Å; F251-Q254 PolarHBondContact O-N 2.91Å; F251-R255 VanDerWaalsContact O-CB 3.3Å; F251-R255 WeakPolarHBondContact O-CB 3.26Å; F251-R255 PolarHBondContact O-N 3.02Å; F251-H598 AromaticContact CD2-NE2 3.65Å; F251-M599 HydrophobicContact CD2-CB 4.49Å; F251-M599 HydrophobicContact CD2-CG 4.31Å; F251-M599 HydrophobicContact CE2-CE 4.37Å; F251-M599 HydrophobicContact CE2-CG 3.92Å; F251-M599 HydrophobicContact CZ-CG 4.09Å; F251-G603 VanDerWaalsContact CE1-CA 3.42Å; F251-L626 HydrophobicContact CD2-CD2 4.11Å; F251-L626 HydrophobicContact CE2-CD1 3.88Å; F251-L626 HydrophobicContact CE2-CD2 4.01Å
252	M	87.2	Confident	85.5	Confident	35 Å²	35	61.5 Å²	61.5	17%	0.172	29%	0.285	C	S	.	.	H	α-helix	trans	-62.8	-47.7	172.6	-66.6	-78.6	69.6	0	0	111.4	D248 Q254 R255 E256 H598 R633	D248-M252 WeakPolarHBondContact O-CB 3.48Å; D248-M252 VanDerWaalsContact O-CG 3.25Å; D248-M252 WeakPolarHBondContact O-CG 3.39Å; D248-M252 PolarHBondContact O-N 3.37Å; M252-Q254 VanDerWaalsContact C-N 3.32Å; M252-Q254 PolarHBondContact O-N 3.22Å; M252-R255 HydrophobicContact CE-CB 4.17Å; M252-R255 HydrophobicContact CE-CG 4.44Å; M252-R255 WeakPolarHBondContact O-CB 3.14Å; M252-R255 PolarHBondContact O-N 3.49Å; M252-R255 VanDerWaalsContact O-N 3.11Å; M252-E256 PolarHBondContact O-N 2.89Å; M252-H598 WeakPolarHBondContact CE-ND1 3.43Å; M252-R633 PolarHBondContact SD-NH1 3.35Å
253	R	86.1	Confident	84.6	Confident	173 Å²	173	63.6 Å²	63.6	65%	0.653	29%	0.293	S	S	*	.	H	α-helix	trans	-56.2	-45.8	174.2	-173.2	-179	-174	174.9	5.6	112.1	M249 C250 R255 E256 L257	M249-R253 WeakPolarHBondContact O-CB 3.43Å; M249-R253 PolarHBondContact O-N 3.01Å; C250-R253 PolarHBondContact O-N 2.99Å; R253-R255 VanDerWaalsContact C-N 3.31Å; R253-R255 PolarHBondContact O-N 3.31Å; R253-E256 PolarHBondContact O-N 3.46Å; R253-L257 HydrophobicContact CG-CD1 4.19Å; R253-L257 WeakPolarHBondContact O-CG 3.44Å; R253-L257 PolarHBondContact O-N 3.31Å
254	Q	83.3	Confident	83.1	Confident	9 Å²	9	65.1 Å²	65.1	4%	0.042	31%	0.31	C	S	.	.	H	α-helix	trans	-73.8	-20.6	-179.9	-160.5	66.7	-11.4	0	0	113	F172 C250 F251 M252 R258	F172-Q254 HydrophobicContact CE2-CB 4.47Å; F172-Q254 HydrophobicContact CE2-CG 4.03Å; F172-Q254 HydrophobicContact CZ-CB 4.09Å; F172-Q254 HydrophobicContact CZ-CG 4.09Å; C250-Q254 WeakPolarHBondContact O-CB 3.49Å; C250-Q254 PolarHBondContact O-N 3.41Å; F251-Q254 PolarHBondContact O-N 2.91Å; M252-Q254 VanDerWaalsContact C-N 3.32Å; M252-Q254 PolarHBondContact O-N 3.22Å; Q254-R258 WeakPolarHBondContact O-CB 3.42Å; Q254-R258 VanDerWaalsContact O-CG 3.25Å; Q254-R258 WeakPolarHBondContact O-CG 3.13Å; Q254-R258 PolarHBondContact O-N 3.41Å; Q254-R258 PolarHBondContact O-NE 3.44Å
255	R	83.9	Confident	81.3	Confident	53 Å²	53	68.3 Å²	68.3	20%	0.2	33%	0.332	C	S	.	.	H	α-helix	trans	-74.2	-45.9	170.1	-173	-174.6	-160	-167.2	8.3	111.5	F251 M252 R253 R258 R259 N597	F251-R255 VanDerWaalsContact O-CB 3.3Å; F251-R255 WeakPolarHBondContact O-CB 3.26Å; F251-R255 PolarHBondContact O-N 3.02Å; M252-R255 HydrophobicContact CE-CB 4.17Å; M252-R255 HydrophobicContact CE-CG 4.44Å; M252-R255 WeakPolarHBondContact O-CB 3.14Å; M252-R255 PolarHBondContact O-N 3.49Å; M252-R255 VanDerWaalsContact O-N 3.11Å; R253-R255 VanDerWaalsContact C-N 3.31Å; R253-R255 PolarHBondContact O-N 3.31Å; R255-R258 WeakPolarHBondContact O-CB 3.35Å; R255-R258 PolarHBondContact O-N 3.34Å; R255-R259 WeakPolarHBondContact O-CG 3.46Å; R255-R259 PolarHBondContact O-N 3.12Å; R255-N597 WeakPolarHBondContact CD-O 3.38Å; R255-N597 WeakPolarHBondContact CG-O 3.26Å; R255-N597 PolarHBondContact NE-O 3.33Å
256	E	82	Confident	79.5	Confident	85 Å²	85	64 Å²	64	40%	0.397	32%	0.321	S	S	.	.	H	α-helix	trans	-68.8	-36.1	179.3	-58.5	-37	116.1	0	0	111.8	M252 R253 R258 R259 A260	M252-E256 PolarHBondContact O-N 2.89Å; R253-E256 PolarHBondContact O-N 3.46Å; E256-R258 PolarHBondContact O-N 2.92Å; E256-R259 VanDerWaalsContact CD-NH1 3.26Å; E256-R259 PolarHBondContact O-N 3.39Å; E256-R259 IonicContact OE1-CZ 3.65Å; E256-R259 IonicContact OE1-NE 3.89Å; E256-R259 IonicContact OE1-NH1 2.73Å; E256-R259 PolarHBondContact OE1-NH1 2.81Å; E256-R259 WeakPolarHBondContact OE2-CD 3.38Å; E256-R259 IonicContact OE2-CZ 3.83Å; E256-R259 IonicContact OE2-NE 3.9Å; E256-R259 IonicContact OE2-NH1 2.99Å; E256-R259 PolarHBondContact OE2-NH1 3.46Å; E256-A260 WeakPolarHBondContact O-CB 3.35Å; E256-A260 PolarHBondContact O-N 3Å
257	L	76.6	Confident	77.5	Confident	61 Å²	61	68.8 Å²	68.8	32%	0.319	35%	0.345	S	S	.	.	H	α-helix	trans	-62.2	-40.8	170.7	-70.8	170.1	0	0	0	112.6	R253 F261 Y446	R253-L257 HydrophobicContact CG-CD1 4.19Å; R253-L257 WeakPolarHBondContact O-CG 3.44Å; R253-L257 PolarHBondContact O-N 3.31Å; L257-F261 PolarHBondContact O-N 3.39Å; L257-Y446 HydrophobicContact CD2-CE1 4.06Å
258	R	76.2	Confident	75.3	Confident	43 Å²	43	76.7 Å²	76.7	16%	0.162	38%	0.379	C	S	.	.	H	α-helix	trans	-62.7	-44.6	172.6	-80.7	179.2	-74.2	167.1	-1.8	111.8	Q254 R255 E256 F261 I262 D596 H598	Q254-R258 WeakPolarHBondContact O-CB 3.42Å; Q254-R258 VanDerWaalsContact O-CG 3.25Å; Q254-R258 WeakPolarHBondContact O-CG 3.13Å; Q254-R258 PolarHBondContact O-N 3.41Å; Q254-R258 PolarHBondContact O-NE 3.44Å; R255-R258 WeakPolarHBondContact O-CB 3.35Å; R255-R258 PolarHBondContact O-N 3.34Å; E256-R258 PolarHBondContact O-N 2.92Å; R258-F261 PolarHBondContact O-N 2.92Å; R258-I262 WeakPolarHBondContact O-CG1 3.45Å; R258-I262 PolarHBondContact O-N 3.21Å; R258-D596 PolarHBondContact NH1-O 3.24Å; R258-H598 PolarHBondContact NH2-O 3Å
259	R	78.4	Confident	73.1	Confident	110 Å²	110	82.1 Å²	82.1	42%	0.415	41%	0.407	S	S	.	.	H	α-helix	trans	-62.6	-47.7	178.6	-76.2	166.4	154.8	-171.7	-16.3	112.4	R255 E256 F261 I262 L263	R255-R259 WeakPolarHBondContact O-CG 3.46Å; R255-R259 PolarHBondContact O-N 3.12Å; E256-R259 VanDerWaalsContact CD-NH1 3.26Å; E256-R259 PolarHBondContact O-N 3.39Å; E256-R259 IonicContact OE1-CZ 3.65Å; E256-R259 IonicContact OE1-NE 3.89Å; E256-R259 IonicContact OE1-NH1 2.73Å; E256-R259 PolarHBondContact OE1-NH1 2.81Å; E256-R259 WeakPolarHBondContact OE2-CD 3.38Å; E256-R259 IonicContact OE2-CZ 3.83Å; E256-R259 IonicContact OE2-NE 3.9Å; E256-R259 IonicContact OE2-NH1 2.99Å; E256-R259 PolarHBondContact OE2-NH1 3.46Å; R259-F261 VanDerWaalsContact C-N 3.3Å; R259-F261 PolarHBondContact O-N 2.75Å; R259-I262 PolarHBondContact O-N 3.48Å; R259-L263 WeakPolarHBondContact O-CG 3.5Å; R259-L263 PolarHBondContact O-N 3.35Å
260	A	77.9	Confident	71	Confident	60 Å²	60	81 Å²	81	50%	0.496	40%	0.399	S	S	.	.	H	α-helix	trans	-60.4	-39.3	178.4	0	0	0	0	0	112	E256 G264	E256-A260 WeakPolarHBondContact O-CB 3.35Å; E256-A260 PolarHBondContact O-N 3Å; A260-G264 PolarHBondContact O-N 3.01Å
261	F	70.7	Confident	68.7	Low	94 Å²	94	88.7 Å²	88.7	41%	0.412	43%	0.43	S	S	.	.	H	α-helix	trans	-63.9	-45.5	175.5	-177.3	-93.5	0	0	0	112.5	L257 R258 R259 G264 S265 Y446	L257-F261 PolarHBondContact O-N 3.39Å; R258-F261 PolarHBondContact O-N 2.92Å; R259-F261 VanDerWaalsContact C-N 3.3Å; R259-F261 PolarHBondContact O-N 2.75Å; F261-G264 PolarHBondContact O-N 3.04Å; F261-S265 PolarHBondContact O-N 2.93Å; F261-Y446 HydrophobicContact CB-CD1 4.32Å; F261-Y446 HydrophobicContact CD2-CG 4.02Å
262	I	70.9	Confident	66.4	Low	115 Å²	115	95.2 Å²	95.2	59%	0.59	47%	0.465	S	S	*	.	H	α-helix	trans	-61.9	-49.6	179	-67	163.6	0	0	0	110.6	R258 R259 S265 D266	R258-I262 WeakPolarHBondContact O-CG1 3.45Å; R258-I262 PolarHBondContact O-N 3.21Å; R259-I262 PolarHBondContact O-N 3.48Å; I262-S265 PolarHBondContact O-N 3.2Å; I262-D266 PolarHBondContact O-N 3.42Å
263	L	73.5	Confident	64.5	Low	114 Å²	114	97.8 Å²	97.8	60%	0.597	49%	0.487	S	S	*	.	H	α-helix	trans	-66	-38.5	179.8	-68.7	169	0	0	0	112.5	R259 S265 D266 Q267	R259-L263 WeakPolarHBondContact O-CG 3.5Å; R259-L263 PolarHBondContact O-N 3.35Å; L263-S265 VanDerWaalsContact C-N 3.31Å; L263-S265 PolarHBondContact O-N 3.07Å; L263-D266 PolarHBondContact O-N 2.87Å; L263-Q267 PolarHBondContact O-N 3.37Å
264	G	60.7	Low	62.3	Low	33 Å²	33	99 Å²	99	34%	0.34	49%	0.492	S	S	.	.	H	α-helix	trans	-66.8	-29.5	176	0	0	0	0	0	113.6	A260 F261 K268	A260-G264 PolarHBondContact O-N 3.01Å; F261-G264 PolarHBondContact O-N 3.04Å; G264-K268 PolarHBondContact O-N 3.25Å
265	S	56.3	Low	60	Low	71 Å²	71	102.8 Å²	102.8	50%	0.497	52%	0.52	S	S	.	.	H	α-helix	trans	-71	-40.1	172.4	-164	0	0	0	0	111.8	F261 I262 L263 K268 L269	F261-S265 PolarHBondContact O-N 2.93Å; I262-S265 PolarHBondContact O-N 3.2Å; L263-S265 VanDerWaalsContact C-N 3.31Å; L263-S265 PolarHBondContact O-N 3.07Å; S265-K268 PolarHBondContact O-N 3.39Å; S265-L269 PolarHBondContact O-N 3.39Å
266	D	56.4	Low	57.7	Low	70 Å²	70	108.4 Å²	108.4	37%	0.374	55%	0.552	S	S	.	*	H	α-helix	trans	-70.8	-36.6	179.8	-166.9	42.8	0	0	0	112.1	I262 L263 K268 L269 K270	I262-D266 PolarHBondContact O-N 3.42Å; L263-D266 PolarHBondContact O-N 2.87Å; D266-K268 VanDerWaalsContact C-N 3.34Å; D266-K268 PolarHBondContact O-N 3.01Å; D266-L269 PolarHBondContact O-N 3.27Å; D266-K270 PolarHBondContact O-N 3.01Å; D266-K270 IonicContact OD1-NZ 3.95Å; D266-K270 IonicContact OD2-NZ 2.77Å; D266-K270 PolarHBondContact OD2-NZ 2.95Å
267	Q	50.6	Low	55.3	Low	147 Å²	147	115.7 Å²	115.7	69%	0.687	58%	0.576	S	S	*	*	H	α-helix	trans	-61.3	-39.4	170.9	-76.8	-171.4	-9.8	0	0	112.6	L263 L269 K270 K271	L263-Q267 PolarHBondContact O-N 3.37Å; Q267-L269 VanDerWaalsContact C-N 3.32Å; Q267-L269 PolarHBondContact O-N 2.83Å; Q267-K270 PolarHBondContact O-N 2.97Å; Q267-K271 PolarHBondContact O-N 3.11Å
268	K	47.8	Very low	53.2	Low	166 Å²	166	119.7 Å²	119.7	72%	0.722	60%	0.603	S	S	*	*	H	α-helix	trans	-65.4	-33.5	174.4	-82.9	-170.6	172.8	-174	0	112.9	G264 S265 D266	G264-K268 PolarHBondContact O-N 3.25Å; S265-K268 PolarHBondContact O-N 3.39Å; D266-K268 VanDerWaalsContact C-N 3.34Å; D266-K268 PolarHBondContact O-N 3.01Å
269	L	46.4	Very low	51.4	Low	129 Å²	129	126.7 Å²	126.7	68%	0.675	64%	0.638	S	S	*	*	H	α-helix	trans	-70.4	-45.7	176.3	-147.9	75.6	0	0	0	111.1	S265 D266 Q267 K271 N272	S265-L269 PolarHBondContact O-N 3.39Å; D266-L269 PolarHBondContact O-N 3.27Å; Q267-L269 VanDerWaalsContact C-N 3.32Å; Q267-L269 PolarHBondContact O-N 2.83Å; L269-K271 PolarHBondContact O-N 3.5Å; L269-N272 PolarHBondContact O-N 2.7Å
270	K	44.7	Very low	49.1	Very low	115 Å²	115	127 Å²	127	50%	0.5	66%	0.656	S	S	.	*	H	α-helix	trans	-65.3	-37.4	179.1	-74.6	173.3	179	148.5	0	113.3	D266 Q267 N272 S273 Y274	D266-K270 PolarHBondContact O-N 3.01Å; D266-K270 IonicContact OD1-NZ 3.95Å; D266-K270 IonicContact OD2-NZ 2.77Å; D266-K270 PolarHBondContact OD2-NZ 2.95Å; Q267-K270 PolarHBondContact O-N 2.97Å; K270-N272 PolarHBondContact O-N 3.4Å; K270-N272 VanDerWaalsContact O-N 3.15Å; K270-S273 PolarHBondContact O-N 2.79Å; K270-S273 VanDerWaalsContact O-N 3.09Å; K270-Y274 WeakPolarHBondContact O-CD2 3.49Å
271	K	43.2	Very low	47	Very low	179 Å²	179	129.6 Å²	129.6	78%	0.778	67%	0.672	S	S	*	*	H	α-helix	trans	-64.7	-19.2	-179.6	-137.8	179.2	-174	-172.9	0	113.6	Q267 L269	Q267-K271 PolarHBondContact O-N 3.11Å; L269-K271 PolarHBondContact O-N 3.5Å
272	N	42.4	Very low	45.1	Very low	137 Å²	137	135 Å²	135	73%	0.733	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	-9.7	176.1	-74	9.2	0	0	0	114.3	L269 K270	L269-N272 PolarHBondContact O-N 2.7Å; K270-N272 PolarHBondContact O-N 3.4Å; K270-N272 VanDerWaalsContact O-N 3.15Å
273	S	46.2	Very low	43.1	Very low	90 Å²	90	135.4 Å²	135.4	63%	0.629	71%	0.708	S	S	*	*	S	Bend	trans	-97.4	-0.3	-179.4	-60.4	0	0	0	0	114.4	K270	K270-S273 PolarHBondContact O-N 2.79Å; K270-S273 VanDerWaalsContact O-N 3.09Å
274	Y	41.3	Very low	41.1	Very low	197 Å²	197	139.2 Å²	139.2	77%	0.773	72%	0.723	S	S	*	*	S	Bend	trans	-120.6	52.3	-178.9	-58.6	-70.8	0	0	0	112	K270	K270-Y274 WeakPolarHBondContact O-CD2 3.49Å
275	S	33.8	Very low	39.7	Very low	89 Å²	89	143.4 Å²	143.4	62%	0.622	75%	0.747	S	S	*	*			trans	-136.4	156	158.5	68.6	0	0	0	0	107.9
276	I	35	Very low	38.4	Very low	171 Å²	171	143.6 Å²	143.6	88%	0.877	76%	0.759	S	S	*	*	S	Bend	trans	72.3	82.4	-166.9	-44.9	166.8	0	0	0	113.5
277	R	33.3	Very low	37.1	Very low	239 Å²	239	148.8 Å²	148.8	90%	0.902	78%	0.779	S	S	*	*				177.1	80	123.5	-178.3	168.4	-101.8	179.5	-6.5	110
278	T	32.1	Very low	36.1	Very low	144 Å²	144	150.9 Å²	150.9	88%	0.883	78%	0.782	S	S	*	*			trans	-97.2	101.2	167.5	33.3	0	0	0	0	109.7
279	Q	37.1	Very low	35.1	Very low	190 Å²	190	148.8 Å²	148.8	89%	0.888	78%	0.778	S	S	*	*			trans	-136.1	139.2	159.2	-84.3	-166.2	-24.4	0	0	110.8
280	S	31.3	Very low	34.4	Very low	116 Å²	116	147.4 Å²	147.4	81%	0.811	78%	0.777	S	S	*	*			trans	-75.1	136	-171.4	170.5	0	0	0	0	112.8
281	S	33.5	Very low	33.7	Very low	116 Å²	116	148.7 Å²	148.7	81%	0.811	79%	0.785	S	S	*	*			trans	-154	123.9	144.5	57	0	0	0	0	109.6
282	K	30	Very low	33.1	Very low	206 Å²	206	147 Å²	147	90%	0.896	78%	0.782	S	S	*	*			trans	-81.9	140.6	174.7	-68	177.2	177.5	177.4	0	110.3
283	S	29.5	Very low	32.6	Very low	124 Å²	124	148.8 Å²	148.8	87%	0.867	79%	0.787	S	S	*	*			trans	-150.8	136.5	157.2	-171.9	0	0	0	0	108.9
284	Q	31	Very low	31.8	Very low	195 Å²	195	150 Å²	150	91%	0.911	80%	0.795	S	S	*	*			trans	-104.1	130.5	-178.3	-74	172.1	-83.6	0	0	110.9
285	S	31.4	Very low	31.4	Very low	121 Å²	121	144.2 Å²	144.2	85%	0.846	80%	0.795	S	S	*	*			trans	-149.3	137.5	155.4	54.2	0	0	0	0	108.3
286	G	29.6	Very low	31.1	Very low	74 Å²	74	146 Å²	146	76%	0.763	80%	0.802	S	S	*	*			trans	-97.8	-144.2	-163.9	0	0	0	0	0	115.8
287	F	28.8	Very low	30.8	Very low	180 Å²	180	147.6 Å²	147.6	79%	0.789	80%	0.803	S	S	*	*			trans	69	128.1	-164	-96.6	-118.1	0	0	0	114.3
288	Y	29.5	Very low	30.7	Very low	190 Å²	190	146.5 Å²	146.5	75%	0.745	80%	0.799	S	S	*	*			cis	-162.2	171.4	-12	-140.5	-144.9	0	0	0	109.6
289	L	27.3	Very low	30.5	Very low	123 Å²	123	149 Å²	149	64%	0.644	80%	0.8	S	S	*	*			trans	-100	167.2	167.6	-101.7	83.8	0	0	0	111.4	E291	L289-E291 HydrophobicContact CD2-CB 3.88Å; L289-E291 HydrophobicContact CD2-CG 3.76Å
290	P	32.5	Very low	30.3	Very low	99 Å²	99	143.4 Å²	143.4	64%	0.643	79%	0.793	S	S	*	*				-116.7	164	107.9	34.7	-35.3	0	0	0	113.1	A655	P290-A655 HydrophobicContact CB-CB 4.23Å; P290-A655 HydrophobicContact CG-CB 4.2Å
291	E	30	Very low	30.2	Very low	143 Å²	143	146.1 Å²	146.1	67%	0.668	79%	0.793	S	S	*	*			trans	-143.9	159.3	-156.9	-155.9	-163.9	146.6	0	0	109.2	L289	L289-E291 HydrophobicContact CD2-CB 3.88Å; L289-E291 HydrophobicContact CD2-CG 3.76Å
292	I	30.3	Very low	30.1	Very low	142 Å²	142	151.1 Å²	151.1	73%	0.728	79%	0.794	S	S	*	*			trans	70.9	145.6	167	-45.5	165.4	0	0	0	111.7
293	E	31	Very low	30.2	Very low	176 Å²	176	146.3 Å²	146.3	82%	0.822	79%	0.786	S	S	*	*			cis	-119.2	142.9	11.9	-71.9	179.9	135	0	0	114.2
294	S	30.2	Very low	30.4	Very low	116 Å²	116	145.9 Å²	145.9	81%	0.811	78%	0.778	S	S	*	*			trans	-100.3	80.9	157	36.5	0	0	0	0	109.3	V296	S294-V296 PolarHBondContact O-N 3.1Å
295	G	31.8	Very low	30.7	Very low	74 Å²	74	142.3 Å²	142.3	76%	0.763	77%	0.765	S	S	*	*			trans	-69.5	82.8	-175.2	0	0	0	0	0	114.3
296	V	28.3	Very low	30.9	Very low	126 Å²	126	145.8 Å²	145.8	76%	0.764	76%	0.76	S	S	*	*			trans	-80.1	120.5	169	176.1	0	0	0	0	109.9	S294	S294-V296 PolarHBondContact O-N 3.1Å
297	F	29.5	Very low	31.3	Very low	205 Å²	205	148.6 Å²	148.6	90%	0.899	76%	0.756	S	S	*	*			trans	-138.6	156.8	158.2	-134.1	-94.6	0	0	0	113.2
298	R	30.4	Very low	31.9	Very low	217 Å²	217	147.5 Å²	147.5	82%	0.819	75%	0.753	S	S	*	*			trans	-98.6	157.1	-160.1	-71.5	176.6	169.3	172.3	-3.5	114.8
299	H	27.9	Very low	32.3	Very low	197 Å²	197	142.9 Å²	142.9	91%	0.912	75%	0.748	S	S	*	*			trans	24.4	128.3	147.9	-80.3	-63.2	0	0	0	121.7
300	G	32.3	Very low	32.9	Very low	72 Å²	72	142.5 Å²	142.5	74%	0.742	76%	0.756	S	S	*	*			trans	168.1	80.7	158.2	0	0	0	0	0	109.6
301	Q	29.7	Very low	33.3	Very low	173 Å²	173	142.1 Å²	142.1	81%	0.808	76%	0.761	S	S	*	*				70	133	71.3	-152.5	-169	27.3	0	0	113.5
302	R	30.5	Very low	33.7	Very low	221 Å²	221	140.3 Å²	140.3	83%	0.834	76%	0.764	S	S	*	*			trans	75.1	122.5	-180	-66.2	177	173.9	162	-2	114.5
303	S	32.4	Very low	34.2	Very low	105 Å²	105	138 Å²	138	73%	0.734	76%	0.761	S	S	*	*				97.8	146.9	61.8	91.3	0	0	0	0	110.6
304	V	34.7	Very low	34.5	Very low	115 Å²	115	140.2 Å²	140.2	70%	0.697	76%	0.762	S	S	*	*			cis	-165.8	176.2	2.7	99.2	0	0	0	0	109.1
305	N	37.2	Very low	34.9	Very low	120 Å²	120	140.5 Å²	140.5	64%	0.642	76%	0.759	S	S	*	*			trans	72.1	149.8	172.5	-68.5	-35.9	0	0	0	116.1
306	R	35	Very low	35.1	Very low	193 Å²	193	148.3 Å²	148.3	73%	0.728	77%	0.766	S	S	*	*			cis	-163.5	158.3	-2.2	-119	169.2	-152.1	-179.2	4.1	111.2
307	I	38.7	Very low	35.3	Very low	133 Å²	133	147.9 Å²	147.9	68%	0.682	77%	0.768	S	S	*	*			trans	68.2	129.8	146.2	-68.9	165.8	0	0	0	116.9
308	H	40	Very low	35.7	Very low	158 Å²	158	141.4 Å²	141.4	73%	0.731	76%	0.759	S	S	*	*			cis	-159.1	157.1	-0.2	-128.6	-155.4	0	0	0	113.4
309	S	38.7	Very low	35.8	Very low	92 Å²	92	139.5 Å²	139.5	64%	0.643	76%	0.764	S	S	*	*			trans	37.3	128.5	144.5	66.7	0	0	0	0	120.2
310	S	40.7	Very low	36	Very low	115 Å²	115	134.2 Å²	134.2	80%	0.804	76%	0.755	S	S	*	*			cis	137.1	156.9	35.6	60.8	0	0	0	0	106.1
311	A	40.7	Very low	36	Very low	91 Å²	91	135.5 Å²	135.5	75%	0.752	75%	0.752	S	S	*	*			cis	-157.8	167	11.7	0	0	0	0	0	112.7
312	S	38.3	Very low	36.3	Very low	105 Å²	105	134.7 Å²	134.7	73%	0.734	75%	0.749	S	S	*	*			trans	57.9	107	146.2	-152.2	0	0	0	0	119.8
313	S	39.9	Very low	36.6	Very low	95 Å²	95	131 Å²	131	66%	0.664	74%	0.744	S	S	*	*				77.4	152	77	97.9	0	0	0	0	114.8
314	R	38.5	Very low	36.8	Very low	221 Å²	221	131.3 Å²	131.3	83%	0.834	74%	0.742	S	S	*	*			cis	-158.2	156.1	24.1	-134.9	169.7	-169.2	173.5	2.9	111.9
315	T	37.1	Very low	36.6	Very low	122 Å²	122	134.2 Å²	134.2	75%	0.748	75%	0.748	S	S	*	*			trans	9.6	154.5	148.5	59.7	0	0	0	0	121.6
316	R	37	Very low	36.2	Very low	239 Å²	239	138.1 Å²	138.1	90%	0.902	76%	0.755	S	S	*	*			cis	-163	176.4	35.8	-158.2	172.4	174.7	166	-1.7	112.6
317	S	32.1	Very low	36.1	Very low	116 Å²	116	135.4 Å²	135.4	81%	0.811	75%	0.751	S	S	*	*			trans	-118.4	167.7	-177.9	51.2	0	0	0	0	114.9
318	G	36.8	Very low	35.7	Very low	70 Å²	70	137.5 Å²	137.5	72%	0.722	76%	0.758	S	S	*	*			trans	123.3	149.3	176.4	0	0	0	0	0	112.5
319	L	33.4	Very low	35.4	Very low	176 Å²	176	137.5 Å²	137.5	92%	0.921	76%	0.763	S	S	*	*			cis	-154.7	179.1	-4.2	-150.5	77.8	0	0	0	110.1
320	A	33.2	Very low	35.1	Very low	86 Å²	86	137.5 Å²	137.5	71%	0.711	76%	0.763	S	S	*	*			trans	-80.1	-178.1	167.5	0	0	0	0	0	111.1
321	S	32.1	Very low	34.9	Very low	99 Å²	99	138.2 Å²	138.2	69%	0.692	76%	0.763	S	S	*	*			cis	-155.6	173.8	3.7	25.5	0	0	0	0	107.7
322	E	35.4	Very low	34.6	Very low	157 Å²	157	140.3 Å²	140.3	73%	0.734	77%	0.766	S	S	*	*				169.1	163.3	80.3	-89.7	-179.3	90.2	0	0	110.8
323	L	36.9	Very low	34.3	Very low	142 Å²	142	142.1 Å²	142.1	74%	0.743	76%	0.763	S	S	*	*			trans	32.2	149.6	138.6	-56.8	174.3	0	0	0	121.8
324	T	36.5	Very low	33.9	Very low	112 Å²	112	147.1 Å²	147.1	69%	0.687	77%	0.767	S	S	*	*			cis	-152.9	137.3	-1.7	16.7	0	0	0	0	106.2
325	E	29.3	Very low	33.6	Very low	177 Å²	177	143.5 Å²	143.5	83%	0.827	76%	0.764	S	S	*	*				63.8	93.7	78.4	-168.3	164.8	-136.3	0	0	116.3
326	Y	29	Very low	33.4	Very low	201 Å²	201	142.9 Å²	142.9	79%	0.788	77%	0.771	S	S	*	*			trans	-175.7	143.3	154.1	-130.2	-116.5	0	0	0	107.3
327	E	33.7	Very low	33.2	Very low	136 Å²	136	138.9 Å²	138.9	64%	0.636	76%	0.764	S	S	*	*			cis	-153.9	173.5	-11.4	178.8	-178.7	-119.7	0	0	107.4
328	Q	31.4	Very low	33.2	Very low	178 Å²	178	140.5 Å²	140.5	83%	0.832	76%	0.759	S	S	*	*			trans	-112.6	131.4	164.8	-64.8	178.4	-38.7	0	0	111.6
329	N	33.7	Very low	33.1	Very low	158 Å²	158	145.1 Å²	145.1	85%	0.845	76%	0.761	S	S	*	*			trans	-157.8	165.9	141	-116.2	-48.8	0	0	0	116.1
330	S	32.5	Very low	33.1	Very low	92 Å²	92	142.4 Å²	142.4	64%	0.643	74%	0.739	S	S	*	*			trans	-83.7	175.2	-159.8	65	0	0	0	0	117.7
331	T	36	Very low	33.3	Very low	129 Å²	129	146.4 Å²	146.4	79%	0.791	74%	0.74	S	S	*	*			trans	103.6	163.9	160.2	75.3	0	0	0	0	120.3
332	V	34	Very low	33.4	Very low	136 Å²	136	149.7 Å²	149.7	82%	0.824	74%	0.738	S	S	*	*			trans	59.3	52.7	173.7	-153.6	0	0	0	0	118.3
333	Q	32.8	Very low	33.3	Very low	143 Å²	143	147.5 Å²	147.5	67%	0.668	74%	0.738	S	S	*	*			trans	-7.1	126.8	135	-176	173.2	100.4	0	0	119.1
334	R	30.8	Very low	33.2	Very low	199 Å²	199	148.4 Å²	148.4	75%	0.751	74%	0.736	S	S	*	*			trans	66.4	113.9	156.1	-64.6	169.1	-146.6	172.3	12.1	120.2
335	L	32.1	Very low	33.2	Very low	146 Å²	146	148 Å²	148	76%	0.764	73%	0.734	S	S	*	*			trans	-146.5	32.2	131.1	-121.4	175.1	0	0	0	114.5	M337	L335-M337 HydrophobicContact CD2-CG 4.1Å; L335-M337 HydrophobicContact CD2-SD 4.35Å; L335-M337 PolarHBondContact O-N 3.09Å
336	A	32.5	Very low	33.5	Very low	108 Å²	108	149 Å²	149	89%	0.893	74%	0.736	S	S	*	*			trans	-79.2	80.4	175.3	0	0	0	0	0	111.7
337	M	32.9	Very low	34	Very low	155 Å²	155	144.8 Å²	144.8	76%	0.764	74%	0.736	S	S	*	*			trans	-108.2	119.6	-173.5	-75	-156.3	-175	0	0	116.1	L335	L335-M337 HydrophobicContact CD2-CG 4.1Å; L335-M337 HydrophobicContact CD2-SD 4.35Å; L335-M337 PolarHBondContact O-N 3.09Å
338	H	31.3	Very low	34	Very low	150 Å²	150	143.2 Å²	143.2	69%	0.694	74%	0.74	S	S	*	*			trans	62.4	72.2	136.3	-100.9	-124.1	0	0	0	121.2
339	Q	35.1	Very low	34.1	Very low	167 Å²	167	140 Å²	140	78%	0.78	74%	0.736	S	S	*	*			trans	-109	53.6	137.2	-83.5	-134.4	8.8	0	0	112	K341	Q339-K341 VanDerWaalsContact C-N 3.27Å; Q339-K341 PolarHBondContact O-N 3.29Å; Q339-K341 VanDerWaalsContact OE1-CE 3.22Å
340	R	33.5	Very low	34.1	Very low	119 Å²	119	142 Å²	142	45%	0.449	74%	0.738	S	S	.	*			trans	-77.8	76.7	173.6	-156.7	173.2	-168.8	176.6	3.3	109.9	R342 T427	R340-R342 PolarHBondContact O-N 3.23Å; R340-T427 PolarHBondContact NH2-OG1 3.49Å
341	K	37.3	Very low	34.4	Very low	171 Å²	171	149.6 Å²	149.6	74%	0.743	75%	0.752	S	S	*	*			trans	-58.1	98.1	179	-73.3	-178	179.4	172.9	0	110.5	Q339 C343	Q339-K341 VanDerWaalsContact C-N 3.27Å; Q339-K341 PolarHBondContact O-N 3.29Å; Q339-K341 VanDerWaalsContact OE1-CE 3.22Å; K341-C343 PolarHBondContact O-N 2.89Å
342	R	34.2	Very low	34.4	Very low	168 Å²	168	152.8 Å²	152.8	63%	0.634	76%	0.755	S	S	*	*			trans	-64.3	123	175.5	-61.1	-171.8	168.8	-174.8	-0.5	108.7	R340 F344 W425	R340-R342 PolarHBondContact O-N 3.23Å; R342-F344 VanDerWaalsContact C-N 3.35Å; R342-F344 HydrophobicContact CB-CD2 4.4Å; R342-F344 PolarHBondContact O-N 3.31Å; R342-W425 HydrophobicContact CB-CH2 4.35Å; R342-W425 HydrophobicContact CB-CZ2 3.96Å; R342-W425 HydrophobicContact CG-CH2 3.82Å; R342-W425 HydrophobicContact CG-CZ2 3.7Å
343	C	33	Very low	34.3	Very low	110 Å²	110	152.5 Å²	152.5	74%	0.743	76%	0.756	S	S	*	*			trans	-70.3	95.6	163.5	-72.1	0	0	0	0	108	K341 T345	K341-C343 PolarHBondContact O-N 2.89Å; C343-T345 VanDerWaalsContact C-N 3.34Å; C343-T345 PolarHBondContact O-N 3.44Å
344	F	35.2	Very low	34.3	Very low	161 Å²	161	152 Å²	152	71%	0.706	77%	0.767	S	S	*	*			trans	-67.2	93	171.8	-106.6	-85.8	0	0	0	109.7	R342 F346	R342-F344 VanDerWaalsContact C-N 3.35Å; R342-F344 HydrophobicContact CB-CD2 4.4Å; R342-F344 PolarHBondContact O-N 3.31Å; F344-F346 HydrophobicContact CD1-CD2 4.47Å; F344-F346 PolarHBondContact O-N 2.93Å; F344-F346 VanDerWaalsContact O-N 3.1Å
345	T	36.8	Very low	34.6	Very low	105 Å²	105	154.3 Å²	154.3	64%	0.644	78%	0.775	S	S	*	*			trans	-75.1	90.8	166.9	46.2	0	0	0	0	108.6	C343 S347	C343-T345 VanDerWaalsContact C-N 3.34Å; C343-T345 PolarHBondContact O-N 3.44Å; T345-S347 PolarHBondContact O-N 3.48Å
346	F	36.3	Very low	34.5	Very low	196 Å²	196	157.4 Å²	157.4	86%	0.86	78%	0.783	S	S	*	*	S	Bend	trans	-73.9	47.8	-177.8	-143.2	-85.4	0	0	0	112.5	F344	F344-F346 HydrophobicContact CD1-CD2 4.47Å; F344-F346 PolarHBondContact O-N 2.93Å; F344-F346 VanDerWaalsContact O-N 3.1Å
347	S	38.6	Very low	34.5	Very low	113 Å²	113	164.1 Å²	164.1	79%	0.79	79%	0.785	S	S	*	*			trans	-160	66.1	-177.1	-163.9	0	0	0	0	109.6	T345	T345-S347 PolarHBondContact O-N 3.48Å
348	S	34.3	Very low	34.3	Very low	104 Å²	104	166.6 Å²	166.6	73%	0.727	79%	0.791	S	S	*	*			trans	-146.7	22.4	174.5	54.8	0	0	0	0	114.1
349	C	33.5	Very low	34.3	Very low	109 Å²	109	165.2 Å²	165.2	74%	0.736	80%	0.799	S	S	*	*	S	Bend	trans	-108.7	149.7	157.8	-65.7	0	0	0	0	108.4
350	F	34.5	Very low	34.1	Very low	202 Å²	202	163.5 Å²	163.5	89%	0.886	80%	0.8	S	S	*	*	S	Bend	trans	63.6	72.9	-174.8	-52.1	-75.2	0	0	0	116.8
351	R	37.1	Very low	34.1	Very low	250 Å²	250	163 Å²	163	94%	0.943	82%	0.815	S	S	*	*				-168	129.6	117	-100.6	156.7	-162.6	-120.1	-1.3	112.3
352	K	36.9	Very low	33.7	Very low	196 Å²	196	159.2 Å²	159.2	85%	0.852	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-69.7	156.3	173.6	-66.9	-177.6	177.9	-177.3	0	110.4
353	P	32.5	Very low	33.6	Very low	130 Å²	130	162 Å²	162	84%	0.844	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-80.3	127.8	-170.2	30.7	-35.1	0	0	0	113.6
354	C	31.7	Very low	33.7	Very low	132 Å²	132	163.6 Å²	163.6	89%	0.892	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-85.9	119.6	173.2	-71.9	0	0	0	0	112.1
355	R	36.5	Very low	33.6	Very low	248 Å²	248	162.5 Å²	162.5	94%	0.936	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-61.1	152.5	173.6	-113.1	171.3	172.2	166.5	-4.1	112
356	K	31	Very low	33.3	Very low	212 Å²	212	167.5 Å²	167.5	92%	0.922	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-63	136.5	169.9	-62.7	173.6	-179	172.6	0	110.8
357	R	31.5	Very low	33	Very low	249 Å²	249	162.3 Å²	162.3	94%	0.94	81%	0.812	S	S	*	*			trans	-145.9	142.9	152.8	-151.6	170.4	-171.5	169.2	2.5	109.9
358	K	28.8	Very low	32.6	Very low	206 Å²	206	164.2 Å²	164.2	90%	0.896	81%	0.813	S	S	*	*			trans	-89.3	149.1	175.7	-61.2	176.4	-179.8	177.3	0	109.8
359	S	33.2	Very low	32.6	Very low	121 Å²	121	169.6 Å²	169.6	85%	0.846	82%	0.823	S	S	*	*			trans	-155.4	159.1	153.1	-165.1	0	0	0	0	110.1
360	T	29.9	Very low	32.6	Very low	132 Å²	132	170.1 Å²	170.1	81%	0.81	83%	0.829	S	S	*	*			trans	-142.6	128.1	-167.6	46.2	0	0	0	0	112.2
361	S	32.5	Very low	32.7	Very low	109 Å²	109	165.4 Å²	165.4	76%	0.762	82%	0.821	S	S	*	*			trans	-175.4	118.8	160.8	176.1	0	0	0	0	106.4
362	S	29.6	Very low	32.5	Very low	91 Å²	91	162.8 Å²	162.8	64%	0.636	82%	0.816	S	S	*	*			cis	92.2	106.2	36.8	75.7	0	0	0	0	113.9
363	Y	31.5	Very low	32.4	Very low	227 Å²	227	160 Å²	160	89%	0.89	81%	0.809	S	S	*	*			trans	-157.1	150.1	157	-123.7	-79.9	0	0	0	111.9
364	Q	36.5	Very low	32.5	Very low	143 Å²	143	159.2 Å²	159.2	67%	0.668	80%	0.803	S	S	*	*			trans	-144.8	166.6	-170.3	-84.9	155.8	-105.6	0	0	110.6
365	Q	32.3	Very low	32.8	Very low	137 Å²	137	158 Å²	158	64%	0.64	79%	0.793	S	S	*	*			cis	-121.9	-120.8	2.7	-150.4	140.9	-104.9	0	0	111.5
366	Y	30.6	Very low	32.8	Very low	211 Å²	211	154.4 Å²	154.4	83%	0.827	79%	0.787	S	S	*	*			cis	-146.6	167.1	1.6	-115	-73.8	0	0	0	109.3
367	S	30.6	Very low	32.9	Very low	86 Å²	86	149.9 Å²	149.9	60%	0.601	78%	0.777	S	S	*	*			trans	-154	150.1	-174.5	66.1	0	0	0	0	116.2
368	N	30.5	Very low	33	Very low	153 Å²	153	143 Å²	143	82%	0.818	77%	0.767	S	S	*	*			trans	64.2	125.6	149.3	-60.8	-15	0	0	0	121.1
369	K	33.8	Very low	33.2	Very low	217 Å²	217	140.2 Å²	140.2	94%	0.943	76%	0.762	S	S	*	*				-156.5	160.1	128.2	-110.6	168.7	-175.6	178.1	0	110.4
370	S	33	Very low	33.3	Very low	121 Å²	121	139.8 Å²	139.8	85%	0.846	76%	0.756	S	S	*	*			trans	-157.4	139.9	-169.7	176.4	0	0	0	0	112.2
371	S	37.2	Very low	33.4	Very low	103 Å²	103	139.6 Å²	139.6	72%	0.72	75%	0.75	S	S	*	*			trans	-176.6	126.5	166.7	51.9	0	0	0	0	115.8
372	K	33.5	Very low	33.5	Very low	195 Å²	195	142.5 Å²	142.5	85%	0.848	76%	0.757	S	S	*	*			trans	61	163	140.4	-56.9	-171.7	174.2	-177.7	0	119.5
373	L	32.8	Very low	33.6	Very low	136 Å²	136	145.5 Å²	145.5	71%	0.712	77%	0.765	S	S	*	*			cis	-153.4	130.1	-30.4	-125.6	77.8	0	0	0	105.8
374	T	35.2	Very low	33.6	Very low	115 Å²	115	143.4 Å²	143.4	71%	0.706	76%	0.763	S	S	*	*				58.9	157	94.3	76	0	0	0	0	118.9
375	P	39.1	Very low	33.1	Very low	107 Å²	107	143 Å²	143	70%	0.695	77%	0.77	S	S	*	*				-144.3	-150.6	-62.4	43	-22.1	0	0	0	114
376	Q	35.9	Very low	33.1	Very low	172 Å²	172	143.5 Å²	143.5	80%	0.804	78%	0.783	S	S	*	*			trans	91.6	152.1	169.3	-44.2	-166.5	65.4	0	0	116.3
377	T	33.2	Very low	33.2	Very low	116 Å²	116	137.5 Å²	137.5	71%	0.712	78%	0.777	S	S	*	*			cis	-152.4	157.4	18.1	-36.7	0	0	0	0	113.2
378	S	32.7	Very low	33.1	Very low	105 Å²	105	141.8 Å²	141.8	73%	0.734	79%	0.79	S	S	*	*			trans	43.6	132.4	157.2	50.8	0	0	0	0	122.2
379	L	33.9	Very low	33.2	Very low	148 Å²	148	139.3 Å²	139.3	78%	0.775	78%	0.782	S	S	*	*			cis	75.3	146.4	38.4	-150.5	81	0	0	0	113.7
380	P	36.1	Very low	33.1	Very low	111 Å²	111	136.4 Å²	136.4	72%	0.721	78%	0.776	S	S	*	*			cis	-112.3	165.1	-3.5	11.5	15.2	0	0	0	114.4
381	D	30.4	Very low	33	Very low	129 Å²	129	136.1 Å²	136.1	69%	0.69	77%	0.774	S	S	*	*				80.1	117.7	57.8	-64.8	-48.3	0	0	0	117.3
382	N	34.9	Very low	32.8	Very low	170 Å²	170	142.1 Å²	142.1	91%	0.909	78%	0.783	S	S	*	*			trans	-166.8	148.2	147.8	-106.7	-38.2	0	0	0	113.6
383	L	31.8	Very low	32.6	Very low	154 Å²	154	142.6 Å²	142.6	81%	0.806	78%	0.781	S	S	*	*			trans	-54.8	170.6	179.3	-116.5	56	0	0	0	114.9
384	E	31.4	Very low	32.4	Very low	183 Å²	183	141.7 Å²	141.7	86%	0.855	79%	0.786	S	S	*	*			cis	-145.4	-176.8	40.9	-73.1	-174.6	109.4	0	0	115.4
385	T	26.4	Very low	32.1	Very low	133 Å²	133	140.7 Å²	140.7	82%	0.816	79%	0.789	S	S	*	*			trans	-126.4	132.1	-173.6	-60.3	0	0	0	0	113.3
386	V	31.5	Very low	31.7	Very low	149 Å²	149	142.7 Å²	142.7	90%	0.903	79%	0.789	S	S	*	*			trans	-139.8	153.8	169	-173.5	0	0	0	0	110.2
387	A	33.1	Very low	31.3	Very low	85 Å²	85	143.2 Å²	143.2	70%	0.702	79%	0.789	S	S	*	*			trans	-108.1	158.3	-160.7	0	0	0	0	0	116.7
388	M	29.4	Very low	31.1	Very low	176 Å²	176	146.7 Å²	146.7	87%	0.867	79%	0.789	S	S	*	*			trans	31.4	146.2	135.9	-73.5	-62.4	-177.1	0	0	120.9
389	P	32.9	Very low	30.9	Very low	100 Å²	100	150 Å²	150	65%	0.649	79%	0.79	S	S	*	*				-154.3	-177.2	50.5	43.6	-22.6	0	0	0	119.6
390	N	30.2	Very low	30.7	Very low	156 Å²	156	148.8 Å²	148.8	83%	0.834	78%	0.784	S	S	*	*			trans	71.6	104	155.2	-63.5	-22.6	0	0	0	120.1
391	S	32.5	Very low	30.3	Very low	115 Å²	115	151.1 Å²	151.1	80%	0.804	79%	0.791	S	S	*	*			trans	-136.1	133.3	155.2	-179.1	0	0	0	0	110.5	Y393	S391-Y393 VanDerWaalsContact C-N 3.31Å; S391-Y393 PolarHBondContact O-N 2.92Å
392	Y	31	Very low	30.2	Very low	229 Å²	229	150.4 Å²	150.4	90%	0.898	80%	0.795	S	S	*	*	S	Bend	trans	-89.8	47.1	-161.5	-140.7	-91.8	0	0	0	113.9
393	Y	31.1	Very low	29.8	Very low	205 Å²	205	147.6 Å²	147.6	80%	0.804	79%	0.789	S	S	*	*			trans	-140.7	90.8	173.9	-90.8	-82.1	0	0	0	111.5	S391	S391-Y393 VanDerWaalsContact C-N 3.31Å; S391-Y393 PolarHBondContact O-N 2.92Å
394	S	27.8	Very low	30	Very low	118 Å²	118	148.8 Å²	148.8	83%	0.825	79%	0.79	S	S	*	*			trans	-123.2	99.9	162	-168.9	0	0	0	0	109.8
395	A	28.7	Very low	29.9	Very low	93 Å²	93	146.4 Å²	146.4	77%	0.769	79%	0.788	S	S	*	*			trans	-133.5	46.1	171.8	0	0	0	0	0	109	K397	A395-K397 PolarHBondContact O-N 2.82Å
396	H	31.4	Very low	30	Very low	149 Å²	149	145.7 Å²	145.7	69%	0.69	78%	0.783	S	S	*	*			trans	-77.6	56.3	-171.5	-159.2	-59.6	0	0	0	112.3	R398	H396-R398 PolarHBondContact O-N 2.88Å
397	K	27.8	Very low	29.9	Very low	184 Å²	184	145 Å²	145	80%	0.8	77%	0.774	S	S	*	*			trans	-77	90.8	176.8	-153.2	172.4	-169.1	-179.2	0	109.7	A395	A395-K397 PolarHBondContact O-N 2.82Å
398	R	27.3	Very low	29.8	Very low	188 Å²	188	148.5 Å²	148.5	71%	0.709	78%	0.776	S	S	*	*			trans	-54.5	144.4	156.2	-67.2	-175.4	-174.6	149.4	3.2	107.6	H396	H396-R398 PolarHBondContact O-N 2.88Å
399	F	29.8	Very low	29.8	Very low	175 Å²	175	146.8 Å²	146.8	77%	0.768	77%	0.77	S	S	*	*			trans	-118	47.3	175	-155.2	-89.4	0	0	0	109.7
400	D	28.2	Very low	29.5	Very low	122 Å²	122	147.2 Å²	147.2	65%	0.652	77%	0.771	S	S	*	*			trans	-92.2	162.2	154.8	-49.5	-69.5	0	0	0	106.5
401	D	27.9	Very low	29.4	Very low	161 Å²	161	146.6 Å²	146.6	86%	0.861	77%	0.766	S	S	*	*			trans	62.1	71.1	-174.4	-59.2	-30	0	0	0	116.5
402	C	28.5	Very low	29.4	Very low	113 Å²	113	150.1 Å²	150.1	76%	0.764	77%	0.77	S	S	*	*			trans	-144.6	56.7	138.9	-156.2	0	0	0	0	111.4
403	S	28	Very low	29.3	Very low	112 Å²	112	147.5 Å²	147.5	78%	0.783	77%	0.766	S	S	*	*			trans	-82.7	105.7	168.2	-70.6	0	0	0	0	110.3
404	Q	34.5	Very low	29.2	Very low	179 Å²	179	143.2 Å²	143.2	84%	0.836	76%	0.763	S	S	*	*			trans	-166.6	152	153.5	-108.1	156.3	41.7	0	0	110.9
405	T	29.1	Very low	29.4	Very low	132 Å²	132	141.2 Å²	141.2	81%	0.81	75%	0.749	S	S	*	*			trans	62.1	87.2	-166.9	64.9	0	0	0	0	113.4
406	V	29.2	Very low	29.7	Very low	118 Å²	118	144.5 Å²	144.5	72%	0.715	75%	0.749	S	S	*	*				64.6	119.6	55.9	-172.5	0	0	0	0	110.2
407	N	30.5	Very low	29.7	Very low	134 Å²	134	143.8 Å²	143.8	72%	0.717	75%	0.75	S	S	*	*			cis	-121.9	152.1	23.4	-60.7	-85.2	0	0	0	111.2
408	E	29.3	Very low	30	Very low	159 Å²	159	140.6 Å²	140.6	74%	0.743	75%	0.75	S	S	*	*				65.9	136.7	67.9	-127.9	174.2	128.8	0	0	112.8
409	L	29.9	Very low	30.3	Very low	141 Å²	141	137.4 Å²	137.4	74%	0.738	76%	0.757	S	S	*	*			cis	-115.1	158.8	6.4	-76.6	75.4	0	0	0	109.9
410	T	26.7	Very low	30.6	Very low	108 Å²	108	134.5 Å²	134.5	66%	0.663	75%	0.754	S	S	*	*				49.6	142.3	61.2	54	0	0	0	0	114.8
411	I	28.6	Very low	30.9	Very low	144 Å²	144	135.2 Å²	135.2	74%	0.738	77%	0.767	S	S	*	*			cis	-161.9	165.6	-16	-112.2	163.1	0	0	0	106.8
412	E	32.9	Very low	31.2	Very low	189 Å²	189	132.8 Å²	132.8	88%	0.883	76%	0.761	S	S	*	*			trans	111.5	140.3	166.4	-56.2	-134.8	125.1	0	0	118.9
413	E	28.6	Very low	31.7	Very low	174 Å²	174	132.4 Å²	132.4	81%	0.813	76%	0.757	S	S	*	*			trans	-105.1	158.4	176.1	-147.3	-174.2	-171.2	0	0	108.3
414	P	29.3	Very low	32	Very low	114 Å²	114	133 Å²	133	74%	0.74	76%	0.76	S	S	*	*				-149.8	143.7	96.1	38.7	-22.3	0	0	0	116.6
415	S	31	Very low	32	Very low	77 Å²	77	132.4 Å²	132.4	54%	0.538	75%	0.75	S	S	.	*			trans	49.1	124	135.9	75.3	0	0	0	0	122.3
416	Q	34.7	Very low	32.3	Very low	162 Å²	162	129.1 Å²	129.1	76%	0.757	74%	0.743	S	S	*	*				81.7	124.3	127.5	-75.4	-174.3	56.3	0	0	122
417	N	32.1	Very low	32.7	Very low	134 Å²	134	127.6 Å²	127.6	72%	0.717	73%	0.734	S	S	*	*			trans	70.6	79.9	135.6	-51.6	-12.8	0	0	0	120
418	S	34.6	Very low	33.2	Very low	116 Å²	116	129.1 Å²	129.1	81%	0.811	74%	0.736	S	S	*	*				-160.2	136.5	119.3	43.8	0	0	0	0	112.8	T420	S418-T420 PolarHBondContact O-N 3.44Å
419	S	33.4	Very low	33.8	Very low	121 Å²	121	127.1 Å²	127.1	85%	0.846	74%	0.735	S	S	*	*			trans	-91.8	98.1	176.8	58.3	0	0	0	0	110.5
420	T	36.5	Very low	34.2	Very low	114 Å²	114	125.4 Å²	125.4	70%	0.699	73%	0.732	S	S	*	*			trans	-139	116.5	168	-62.1	0	0	0	0	110.1	S418 C422	S418-T420 PolarHBondContact O-N 3.44Å; T420-C422 PolarHBondContact O-N 3.4Å; T420-C422 VanDerWaalsContact O-N 3.12Å
421	C	34.3	Very low	34.6	Very low	137 Å²	137	130.4 Å²	130.4	93%	0.926	75%	0.745	S	S	*	*			trans	-75.7	98.9	172.4	-162.5	0	0	0	0	107.7
422	C	33	Very low	35.2	Very low	110 Å²	110	131.9 Å²	131.9	74%	0.743	75%	0.748	S	S	*	*			trans	-68.4	131.2	-161.4	-163.4	0	0	0	0	113	T420	T420-C422 PolarHBondContact O-N 3.4Å; T420-C422 VanDerWaalsContact O-N 3.12Å
423	P	40.2	Very low	35.6	Very low	106 Å²	106	127.2 Å²	127.2	69%	0.688	74%	0.735	S	S	*	*			trans	-78.7	130	-178.9	31.4	-34.7	0	0	0	111.8	W425	P423-W425 PolarHBondContact O-N 3.42Å
424	C	34	Very low	36.1	Very low	124 Å²	124	125.9 Å²	125.9	84%	0.838	73%	0.728	S	S	*	*	S	Bend	trans	-93	79	176.3	57.5	0	0	0	0	112.4
425	W	33.1	Very low	36.3	Very low	166 Å²	166	128.7 Å²	128.7	63%	0.629	73%	0.729	S	S	*	*			trans	-163.8	139.2	153.4	-101.7	25.6	0	0	0	108.5	R342 P423	R342-W425 HydrophobicContact CB-CH2 4.35Å; R342-W425 HydrophobicContact CB-CZ2 3.96Å; R342-W425 HydrophobicContact CG-CH2 3.82Å; R342-W425 HydrophobicContact CG-CZ2 3.7Å; P423-W425 PolarHBondContact O-N 3.42Å
426	G	37.3	Very low	36.6	Very low	64 Å²	64	131.1 Å²	131.1	66%	0.66	74%	0.74	S	S	*	*			trans	110.5	79	-161.9	0	0	0	0	0	109.5
427	T	37.5	Very low	36.6	Very low	85 Å²	85	134.8 Å²	134.8	52%	0.521	75%	0.747	S	S	.	*				61.5	122.9	66.6	-17.1	0	0	0	0	113.6	R340	R340-T427 PolarHBondContact NH2-OG1 3.49Å
428	H	41.1	Very low	37.1	Very low	167 Å²	167	134.2 Å²	134.2	77%	0.773	75%	0.749	S	S	*	*			trans	66.8	141	176.9	-75.6	-84.5	0	0	0	117.3
429	T	41.8	Very low	37.3	Very low	116 Å²	116	133.7 Å²	133.7	71%	0.712	74%	0.741	S	S	*	*			cis	-151.4	160.8	-31.4	-1.8	0	0	0	0	107.2
430	P	37.9	Very low	37.7	Very low	105 Å²	105	136.6 Å²	136.6	68%	0.682	74%	0.741	S	S	*	*			trans	-90	152.1	-152	34.5	-37.5	0	0	0	116.5
431	K	34.7	Very low	38.1	Very low	214 Å²	214	134.6 Å²	134.6	93%	0.93	73%	0.725	S	S	*	*			trans	-120.3	142	135.2	-72.6	-169.3	175.8	-177	0	109.2
432	H	40.4	Very low	38.7	Very low	175 Å²	175	130.9 Å²	130.9	81%	0.81	70%	0.699	S	S	*	*			trans	-90.9	171.3	-170.1	-118.6	-144.8	0	0	0	111
433	P	41.2	Very low	39.7	Very low	91 Å²	91	129.8 Å²	129.8	59%	0.591	69%	0.691	S	S	*	*			cis	-141	-172.4	-41.2	32.2	-10.8	0	0	0	114.3
434	Q	39.3	Very low	40.3	Very low	145 Å²	145	128.2 Å²	128.2	68%	0.678	68%	0.681	S	S	*	*			trans	102.1	114.9	155.1	-51.2	-150.5	39.5	0	0	120.8
435	K	33.8	Very low	41.3	Very low	173 Å²	173	127.8 Å²	127.8	75%	0.752	66%	0.662	S	S	*	*			trans	54.4	86.3	135.2	-59.1	172.2	-178.1	154.7	0	119.9
436	T	37.4	Very low	42.3	Very low	128 Å²	128	122.2 Å²	122.2	79%	0.785	64%	0.641	S	S	*	*				-130.1	132.7	105.6	49.8	0	0	0	0	109.1	T438	T436-T438 PolarHBondContact O-N 2.67Å
437	R	34.6	Very low	43.5	Very low	240 Å²	240	123.7 Å²	123.7	91%	0.906	63%	0.631	S	S	*	*			trans	-101.7	49.6	-171.5	-156.4	-178.5	-167.7	174.8	5.1	111.9	T439	R437-T439 PolarHBondContact O-N 3.31Å
438	T	42.7	Very low	45.1	Very low	121 Å²	121	119.8 Å²	119.8	74%	0.742	61%	0.608	S	S	*	*			trans	-62.3	102.3	170.6	46.8	0	0	0	0	109.2	T436 H440	T436-T438 PolarHBondContact O-N 2.67Å; T438-H440 PolarHBondContact O-N 2.97Å
439	T	39.1	Very low	47.2	Very low	106 Å²	106	115.6 Å²	115.6	65%	0.65	59%	0.591	S	S	*	*			trans	-64.3	110.7	175.1	41	0	0	0	0	108.4	R437 I441	R437-T439 PolarHBondContact O-N 3.31Å; T439-I441 PolarHBondContact O-N 3.19Å
440	H	42.5	Very low	49.4	Very low	182 Å²	182	111.3 Å²	111.3	84%	0.843	56%	0.563	S	S	*	*			trans	-75.8	73.7	-179	-155.7	-95.1	0	0	0	109.6	T438	T438-H440 PolarHBondContact O-N 2.97Å
441	I	44.2	Very low	51.8	Low	71 Å²	71	106.3 Å²	106.3	36%	0.364	53%	0.53	S	S	.	.			trans	-61.2	121.5	-175.8	-59	166.8	0	0	0	108	T439 Y446	T439-I441 PolarHBondContact O-N 3.19Å; I441-Y446 HydrophobicContact CB-CE2 4.29Å; I441-Y446 WeakPolarHBondContact CB-OH 3.45Å; I441-Y446 WeakPolarHBondContact CD1-OH 3.44Å; I441-Y446 HydrophobicContact CG2-CE2 3.82Å; I441-Y446 VanDerWaalsContact CG2-OH 3.28Å; I441-Y446 WeakPolarHBondContact CG2-OH 3.14Å
442	P	48	Very low	54.5	Low	59 Å²	59	96.9 Å²	96.9	38%	0.383	49%	0.491	S	S	.	.			trans	-63.4	136.3	-170.4	22.5	-33.1	0	0	0	111.4	C444 R445	P442-C444 PolarHBondContact O-N 3.46Å; P442-R445 PolarHBondContact O-N 3.08Å; P442-R445 VanDerWaalsContact O-N 3.17Å
443	P	53.8	Low	56.9	Low	88 Å²	88	94 Å²	94	57%	0.571	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-61.1	-19.9	-169.5	22.5	-33.8	0	0	0	113.9	R445 Y446	P443-R445 PolarHBondContact O-N 3.44Å; P443-R445 VanDerWaalsContact O-N 3.14Å; P443-Y446 PolarHBondContact O-N 3.18Å
444	C	51.4	Low	59.3	Low	72 Å²	72	90.5 Å²	90.5	49%	0.486	45%	0.449	S	S	.	.	G	3₁₀ helix	trans	-58.2	-24	176.9	-52.1	0	0	0	0	114.1	P442 Y446 F450	P442-C444 PolarHBondContact O-N 3.46Å; C444-Y446 VanDerWaalsContact C-N 3.32Å; C444-Y446 PolarHBondContact O-N 3.15Å; C444-F450 HydrophobicContact CB-CE2 4.37Å; C444-F450 WeakPolarHBondContact O-CD2 3.42Å
445	R	54.7	Low	61.9	Low	116 Å²	116	83.7 Å²	83.7	44%	0.438	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-72.5	-17.3	-177.9	-72.9	-167.2	170.3	164.8	1.2	115.2	P442 P443	P442-R445 PolarHBondContact O-N 3.08Å; P442-R445 VanDerWaalsContact O-N 3.17Å; P443-R445 PolarHBondContact O-N 3.44Å; P443-R445 VanDerWaalsContact O-N 3.14Å
446	Y	55.5	Low	64.7	Low	48 Å²	48	77.4 Å²	77.4	19%	0.188	39%	0.391	C	S	.	.	S	Bend	trans	-96.4	-15.1	-163.5	-65.6	-83.6	0	0	0	115.1	L257 F261 I441 P443 C444	L257-Y446 HydrophobicContact CD2-CE1 4.06Å; F261-Y446 HydrophobicContact CB-CD1 4.32Å; F261-Y446 HydrophobicContact CD2-CG 4.02Å; I441-Y446 HydrophobicContact CB-CE2 4.29Å; I441-Y446 WeakPolarHBondContact CB-OH 3.45Å; I441-Y446 WeakPolarHBondContact CD1-OH 3.44Å; I441-Y446 HydrophobicContact CG2-CE2 3.82Å; I441-Y446 VanDerWaalsContact CG2-OH 3.28Å; I441-Y446 WeakPolarHBondContact CG2-OH 3.14Å; P443-Y446 PolarHBondContact O-N 3.18Å; C444-Y446 VanDerWaalsContact C-N 3.32Å; C444-Y446 PolarHBondContact O-N 3.15Å
447	Q	61	Low	67.4	Low	95 Å²	95	75.4 Å²	75.4	44%	0.444	38%	0.375	S	S	.	.	S	Bend	trans	-88.2	109.5	174.3	-69.7	173.5	-18.8	0	0	108.8	N449 F450 R453	Q447-N449 PolarHBondContact O-N 2.72Å; Q447-F450 PolarHBondContact O-N 2.96Å; Q447-F450 VanDerWaalsContact O-N 3.16Å; Q447-R453 VanDerWaalsContact OE1-CZ 3.25Å
448	G	72.1	Confident	70.2	Confident	4 Å²	4	64.1 Å²	64.1	4%	0.041	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	30.5	-179.3	0	0	0	0	0	116.2	P601 D602	G448-P601 WeakPolarHBondContact O-CG 3.45Å; G448-D602 VanDerWaalsContact C-CG 3.49Å; G448-D602 PolarHBondContact O-N 2.96Å
449	N	84.5	Confident	72.7	Confident	79 Å²	79	58.7 Å²	58.7	42%	0.422	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.7	23.4	174.9	-49.3	23.9	0	0	0	108.5	Q447 R453 P601 D602	Q447-N449 PolarHBondContact O-N 2.72Å; N449-R453 WeakPolarHBondContact O-CB 3.4Å; N449-R453 VanDerWaalsContact O-CG 3.31Å; N449-R453 WeakPolarHBondContact O-CG 3.45Å; N449-R453 PolarHBondContact O-N 3.18Å; N449-R453 PolarHBondContact O-NE 2.89Å; N449-P601 HydrophobicContact CB-CG 4.16Å; N449-P601 VanDerWaalsContact CG-CG 3.47Å; N449-P601 VanDerWaalsContact OD1-CG 3.22Å; N449-P601 WeakPolarHBondContact OD1-CG 3.17Å; N449-D602 VanDerWaalsContact CA-OD1 3.24Å; N449-D602 WeakPolarHBondContact CA-OD1 3.24Å; N449-D602 PolarHBondContact N-OD2 3.23Å
450	F	87.8	Confident	75.4	Confident	26 Å²	26	58.1 Å²	58.1	11%	0.114	29%	0.291	C	S	.	.	H	α-helix	trans	-75.8	-48.4	-174.8	173.5	-82.8	0	0	0	110.2	Q169 S170 C444 Q447 V452 R453 L454 D602	Q169-F450 HydrophobicContact CB-CE1 4.39Å; Q169-F450 HydrophobicContact CB-CZ 4.03Å; S170-F450 VanDerWaalsContact CB-CD1 3.47Å; C444-F450 HydrophobicContact CB-CE2 4.37Å; C444-F450 WeakPolarHBondContact O-CD2 3.42Å; Q447-F450 PolarHBondContact O-N 2.96Å; Q447-F450 VanDerWaalsContact O-N 3.16Å; F450-V452 VanDerWaalsContact C-N 3.34Å; F450-V452 PolarHBondContact O-N 3.23Å; F450-R453 PolarHBondContact O-N 3.1Å; F450-L454 HydrophobicContact CE1-CB 4.47Å; F450-L454 HydrophobicContact CE1-CD2 4.05Å; F450-L454 WeakPolarHBondContact O-CB 3.49Å; F450-L454 PolarHBondContact O-N 3.15Å; F450-D602 PolarHBondContact N-OD1 2.74Å; F450-D602 PolarHBondContact N-OD2 2.8Å
451	L	90	Very high	78	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-65.6	-41.4	-176.7	-169.5	65.6	0	0	0	110.6	W163 A167 V174 L454 Y455 D602 F605 L606	W163-L451 HydrophobicContact CH2-CD1 3.52Å; W163-L451 HydrophobicContact CH2-CG 4.08Å; W163-L451 HydrophobicContact CZ2-CD1 4.49Å; W163-L451 HydrophobicContact CZ3-CD1 3.79Å; A167-L451 HydrophobicContact CB-CD1 4.21Å; V174-L451 HydrophobicContact CG2-CD1 4Å; V174-L451 HydrophobicContact CG2-CD2 4.19Å; L451-L454 PolarHBondContact O-N 3.09Å; L451-Y455 WeakPolarHBondContact O-CB 3.25Å; L451-Y455 PolarHBondContact O-N 3.06Å; L451-D602 HydrophobicContact CB-CB 4.14Å; L451-D602 PolarHBondContact N-OD1 3.45Å; L451-D602 PolarHBondContact N-OD2 3Å; L451-D602 VanDerWaalsContact N-OD2 3.13Å; L451-F605 HydrophobicContact CD2-CD1 3.72Å; L451-F605 HydrophobicContact CD2-CE1 3.91Å; L451-F605 HydrophobicContact CG-CD1 3.88Å; L451-F605 HydrophobicContact CG-CE1 3.85Å; L451-L606 HydrophobicContact CD2-CD1 4.07Å; L451-L606 HydrophobicContact CD2-CD2 3.69Å; L451-L606 HydrophobicContact CD2-CG 3.69Å
452	V	91.2	Very high	80.4	Confident	15 Å²	15	48.5 Å²	48.5	9%	0.091	25%	0.246	C	C	.	.	H	α-helix	trans	-57.6	-50.8	172.1	162.1	0	0	0	0	112.2	F450 Y455 M456 I564 P601 D602 F605	F450-V452 VanDerWaalsContact C-N 3.34Å; F450-V452 PolarHBondContact O-N 3.23Å; V452-Y455 PolarHBondContact O-N 2.93Å; V452-M456 WeakPolarHBondContact O-CG 3.36Å; V452-M456 PolarHBondContact O-N 3.19Å; V452-I564 HydrophobicContact CG1-CD1 4.45Å; V452-I564 HydrophobicContact CG1-CG2 3.57Å; V452-P601 HydrophobicContact CG2-CB 4.42Å; V452-D602 PolarHBondContact N-OD1 2.88Å; V452-F605 HydrophobicContact CG2-CB 3.59Å; V452-F605 HydrophobicContact CG2-CD2 4.36Å; V452-F605 HydrophobicContact CG2-CG 4.01Å
453	R	90.5	Very high	82.7	Confident	116 Å²	116	46.7 Å²	46.7	44%	0.438	23%	0.233	S	C	.	.	H	α-helix	trans	-67.3	-38.5	-178.8	-76.8	178.9	-63.1	171	2.5	112.3	Q447 N449 F450 M456 L457	Q447-R453 VanDerWaalsContact OE1-CZ 3.25Å; N449-R453 WeakPolarHBondContact O-CB 3.4Å; N449-R453 VanDerWaalsContact O-CG 3.31Å; N449-R453 WeakPolarHBondContact O-CG 3.45Å; N449-R453 PolarHBondContact O-N 3.18Å; N449-R453 PolarHBondContact O-NE 2.89Å; F450-R453 PolarHBondContact O-N 3.1Å; R453-M456 PolarHBondContact O-N 2.95Å; R453-L457 VanDerWaalsContact O-CB 3.29Å; R453-L457 WeakPolarHBondContact O-CB 3.46Å; R453-L457 PolarHBondContact O-N 3.46Å
454	L	92	Very high	84.7	Confident	17 Å²	17	45.9 Å²	45.9	9%	0.089	23%	0.229	C	C	.	.	H	α-helix	trans	-62.1	-45.2	175.2	178.9	65.9	0	0	0	111.1	I162 W163 F166 A167 F450 L451 L457 V458	I162-L454 HydrophobicContact CG2-CD1 4.47Å; W163-L454 HydrophobicContact CE3-CD2 3.77Å; W163-L454 HydrophobicContact CE3-CG 3.89Å; W163-L454 HydrophobicContact CZ3-CB 4.37Å; W163-L454 HydrophobicContact CZ3-CD2 3.9Å; W163-L454 HydrophobicContact CZ3-CG 4.02Å; F166-L454 VanDerWaalsContact C-CD2 3.47Å; F166-L454 HydrophobicContact CB-CD1 3.68Å; F166-L454 HydrophobicContact CB-CD2 3.59Å; F166-L454 HydrophobicContact CB-CG 4.3Å; F166-L454 HydrophobicContact CG-CD1 4.42Å; A167-L454 HydrophobicContact CB-CD2 4.15Å; A167-L454 VanDerWaalsContact N-CD2 3.33Å; F450-L454 HydrophobicContact CE1-CB 4.47Å; F450-L454 HydrophobicContact CE1-CD2 4.05Å; F450-L454 WeakPolarHBondContact O-CB 3.49Å; F450-L454 PolarHBondContact O-N 3.15Å; L451-L454 PolarHBondContact O-N 3.09Å; L454-L457 PolarHBondContact O-N 3.3Å; L454-V458 HydrophobicContact CD1-CG2 4.45Å; L454-V458 WeakPolarHBondContact O-CG2 3.49Å; L454-V458 PolarHBondContact O-N 3.47Å
455	Y	92.8	Very high	86.9	Confident	1 Å²	1	43.3 Å²	43.3	0%	0.004	21%	0.211	C	C	.	.	H	α-helix	trans	-64.6	-42.9	179	-168.5	-105.4	0	0	0	112	D25 D28 W163 L451 V452 L457 V458 K459 W560 F605	D25-Y455 WeakPolarHBondContact CB-OH 3.25Å; D28-Y455 PolarHBondContact OD2-OH 3.37Å; W163-Y455 HydrophobicContact CD2-CD2 4.35Å; W163-Y455 HydrophobicContact CE3-CD2 4.21Å; W163-Y455 AromaticContact CH2-CD2 3.67Å; W163-Y455 HydrophobicContact CH2-CD2 3.67Å; W163-Y455 HydrophobicContact CH2-CG 4.22Å; W163-Y455 AromaticContact CZ2-CD2 3.79Å; W163-Y455 HydrophobicContact CZ2-CD2 3.79Å; W163-Y455 HydrophobicContact CZ2-CE2 4.38Å; W163-Y455 AromaticContact CZ3-CD2 3.89Å; W163-Y455 HydrophobicContact CZ3-CD2 3.89Å; W163-Y455 HydrophobicContact CZ3-CG 4.35Å; L451-Y455 WeakPolarHBondContact O-CB 3.25Å; L451-Y455 PolarHBondContact O-N 3.06Å; V452-Y455 PolarHBondContact O-N 2.93Å; Y455-L457 VanDerWaalsContact C-N 3.33Å; Y455-L457 PolarHBondContact O-N 3.05Å; Y455-V458 PolarHBondContact O-N 3.48Å; Y455-K459 HydrophobicContact CD1-CG 4.33Å; Y455-K459 HydrophobicContact CE1-CD 4.42Å; Y455-K459 VanDerWaalsContact CE1-CE 3.4Å; Y455-K459 HydrophobicContact CE1-CG 4.1Å; Y455-K459 WeakPolarHBondContact O-CG 3.17Å; Y455-K459 PolarHBondContact O-N 3.46Å; Y455-K459 WeakPolarHBondContact OH-CE 3.28Å; Y455-K459 PolarHBondContact OH-NZ 3.23Å; Y455-K459 VanDerWaalsContact OH-NZ 3.15Å; Y455-W560 HydrophobicContact CD1-CD2 4.43Å; Y455-W560 HydrophobicContact CD1-CE3 4.5Å; Y455-W560 AromaticContact CE1-CD2 3.67Å; Y455-W560 HydrophobicContact CE1-CD2 3.67Å; Y455-W560 AromaticContact CE1-CE2 3.67Å; Y455-W560 HydrophobicContact CE1-CE3 4.08Å; Y455-W560 AromaticContact CE1-CG 3.96Å; Y455-W560 HydrophobicContact CE1-CG 3.96Å; Y455-W560 HydrophobicContact CE1-CH2 4.42Å; Y455-W560 HydrophobicContact CE1-CZ2 4.06Å; Y455-W560 HydrophobicContact CE1-CZ3 4.44Å; Y455-W560 AromaticContact CE1-NE1 3.99Å; Y455-F605 AromaticContact CD1-CE2 3.46Å; Y455-F605 HydrophobicContact CD1-CE2 3.46Å; Y455-F605 VanDerWaalsContact CD1-CE2 3.46Å; Y455-F605 AromaticContact CD1-CZ 3.79Å; Y455-F605 HydrophobicContact CD1-CZ 3.79Å; Y455-F605 HydrophobicContact CD2-CE2 4.37Å; Y455-F605 AromaticContact CD2-CZ 3.83Å; Y455-F605 HydrophobicContact CD2-CZ 3.83Å; Y455-F605 AromaticContact CE1-CE2 4Å; Y455-F605 HydrophobicContact CE1-CE2 4Å; Y455-F605 HydrophobicContact CE1-CZ 4.32Å; Y455-F605 HydrophobicContact CE2-CZ 4.39Å; Y455-F605 AromaticContact CG-CE2 3.67Å; Y455-F605 HydrophobicContact CG-CE2 3.67Å; Y455-F605 AromaticContact CG-CZ 3.5Å; Y455-F605 HydrophobicContact CG-CZ 3.5Å
456	M	93.3	Very high	88.8	Confident	41 Å²	41	37.9 Å²	37.9	20%	0.202	19%	0.19	C	C	.	.	H	α-helix	trans	-64.3	-36.3	175.1	-69.5	-49	-46.8	0	0	113.1	V452 R453 K459 L460 M557 W560 I561 I564	V452-M456 WeakPolarHBondContact O-CG 3.36Å; V452-M456 PolarHBondContact O-N 3.19Å; R453-M456 PolarHBondContact O-N 2.95Å; M456-K459 PolarHBondContact O-N 2.87Å; M456-L460 PolarHBondContact O-N 3.5Å; M456-M557 HydrophobicContact CE-CG 4.28Å; M456-W560 HydrophobicContact SD-CB 4.17Å; M456-I561 HydrophobicContact CE-CD1 4.29Å; M456-I561 HydrophobicContact CE-CG1 3.51Å; M456-I564 HydrophobicContact CG-CD1 4.34Å; M456-I564 HydrophobicContact SD-CD1 3.87Å
457	L	94	Very high	90.6	Very high	87 Å²	87	39.4 Å²	39.4	46%	0.455	20%	0.201	S	C	.	.	H	α-helix	trans	-67.1	-39.9	173.5	177.2	136.2	0	0	0	111.5	R453 L454 Y455 L460 I461	R453-L457 VanDerWaalsContact O-CB 3.29Å; R453-L457 WeakPolarHBondContact O-CB 3.46Å; R453-L457 PolarHBondContact O-N 3.46Å; L454-L457 PolarHBondContact O-N 3.3Å; Y455-L457 VanDerWaalsContact C-N 3.33Å; Y455-L457 PolarHBondContact O-N 3.05Å; L457-L460 PolarHBondContact O-N 3.14Å; L457-I461 HydrophobicContact CD2-CD1 3.57Å; L457-I461 HydrophobicContact CG-CD1 4.11Å; L457-I461 VanDerWaalsContact O-CG1 3.26Å; L457-I461 WeakPolarHBondContact O-CG1 3.19Å; L457-I461 PolarHBondContact O-N 3.49Å
458	V	94.3	Very high	92.2	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.012	20%	0.195	C	C	.	.	H	α-helix	trans	-64.4	-41.4	174	168	0	0	0	0	111.7	P159 I162 W163 L454 Y455 L460 I461 Y462	P159-V458 HydrophobicContact CB-CG1 4.23Å; I162-V458 HydrophobicContact CG2-CG2 3.97Å; W163-V458 HydrophobicContact CB-CG1 4.27Å; W163-V458 HydrophobicContact CB-CG2 4.04Å; L454-V458 HydrophobicContact CD1-CG2 4.45Å; L454-V458 WeakPolarHBondContact O-CG2 3.49Å; L454-V458 PolarHBondContact O-N 3.47Å; Y455-V458 PolarHBondContact O-N 3.48Å; V458-L460 VanDerWaalsContact C-N 3.34Å; V458-L460 PolarHBondContact O-N 3.29Å; V458-I461 PolarHBondContact O-N 3.07Å; V458-Y462 HydrophobicContact CG1-CD2 3.92Å; V458-Y462 HydrophobicContact CG1-CE2 3.62Å; V458-Y462 WeakPolarHBondContact O-CD2 3.49Å; V458-Y462 PolarHBondContact O-N 3.02Å
459	K	94.8	Very high	93.2	Very high	7 Å²	7	36.4 Å²	36.4	3%	0.03	19%	0.194	C	C	.	.	H	α-helix	trans	-57.9	-44.1	172.3	-73.7	-71.2	-176.7	-174.4	0	112.3	D25 D28 Y455 M456 Y462 L463 S556 M557	D25-K459 IonicContact OD2-NZ 3.16Å; D25-K459 PolarHBondContact OD2-NZ 2.87Å; D28-K459 VanDerWaalsContact CG-NZ 3.27Å; D28-K459 WeakPolarHBondContact OD1-CE 3.48Å; D28-K459 IonicContact OD1-NZ 3.21Å; D28-K459 PolarHBondContact OD1-NZ 2.92Å; D28-K459 IonicContact OD2-NZ 3.57Å; D28-K459 PolarHBondContact OD2-NZ 3.43Å; Y455-K459 HydrophobicContact CD1-CG 4.33Å; Y455-K459 HydrophobicContact CE1-CD 4.42Å; Y455-K459 VanDerWaalsContact CE1-CE 3.4Å; Y455-K459 HydrophobicContact CE1-CG 4.1Å; Y455-K459 WeakPolarHBondContact O-CG 3.17Å; Y455-K459 PolarHBondContact O-N 3.46Å; Y455-K459 WeakPolarHBondContact OH-CE 3.28Å; Y455-K459 PolarHBondContact OH-NZ 3.23Å; Y455-K459 VanDerWaalsContact OH-NZ 3.15Å; M456-K459 PolarHBondContact O-N 2.87Å; K459-Y462 PolarHBondContact O-N 3.38Å; K459-L463 PolarHBondContact O-N 3.45Å; K459-L463 VanDerWaalsContact O-N 3.14Å; K459-S556 PolarHBondContact NZ-OG 3.4Å; K459-M557 HydrophobicContact CB-CG 4.35Å
460	L	95.3	Very high	93.5	Very high	94 Å²	94	34 Å²	34	49%	0.492	18%	0.182	S	C	.	.	H	α-helix	trans	-63.3	-43.3	176.2	-177	63	0	0	0	111.4	M456 L457 V458 Y462 L463 S464	M456-L460 PolarHBondContact O-N 3.5Å; L457-L460 PolarHBondContact O-N 3.14Å; V458-L460 VanDerWaalsContact C-N 3.34Å; V458-L460 PolarHBondContact O-N 3.29Å; L460-Y462 VanDerWaalsContact C-N 3.35Å; L460-Y462 PolarHBondContact O-N 3.42Å; L460-L463 PolarHBondContact O-N 2.69Å; L460-S464 WeakPolarHBondContact O-CB 3.45Å; L460-S464 PolarHBondContact O-N 2.83Å; L460-S464 PolarHBondContact O-OG 2.68Å
461	I	96.5	Very high	93.6	Very high	49 Å²	49	38.3 Å²	38.3	25%	0.251	20%	0.2	S	C	.	.	H	α-helix	trans	-65.6	-35.4	177.9	-62.3	166.4	0	0	0	111.4	L158 P159 I162 L457 V458 N465	L158-I461 HydrophobicContact CD2-CG2 4.44Å; P159-I461 HydrophobicContact CB-CB 4.39Å; P159-I461 HydrophobicContact CB-CG2 4.06Å; P159-I461 HydrophobicContact CG-CG2 3.91Å; I162-I461 HydrophobicContact CD1-CD1 3.91Å; L457-I461 HydrophobicContact CD2-CD1 3.57Å; L457-I461 HydrophobicContact CG-CD1 4.11Å; L457-I461 VanDerWaalsContact O-CG1 3.26Å; L457-I461 WeakPolarHBondContact O-CG1 3.19Å; L457-I461 PolarHBondContact O-N 3.49Å; V458-I461 PolarHBondContact O-N 3.07Å; I461-N465 WeakPolarHBondContact O-CB 3.36Å; I461-N465 PolarHBondContact O-N 3.23Å
462	Y	95.8	Very high	93.6	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.008	21%	0.212	C	C	.	.	H	α-helix	trans	-60.4	-47.8	170.6	-80.9	-61.7	0	0	0	111.9	D28 N31 Y32 P159 C160 V458 K459 L460 N465 V466	D28-Y462 HydrophobicContact CB-CE2 3.94Å; N31-Y462 HydrophobicContact CB-CD1 3.54Å; N31-Y462 HydrophobicContact CB-CE1 3.54Å; Y32-Y462 WeakPolarHBondContact CD1-OH 3.47Å; P159-Y462 HydrophobicContact CB-CD1 3.74Å; P159-Y462 HydrophobicContact CB-CD2 4.06Å; P159-Y462 HydrophobicContact CB-CE1 3.67Å; P159-Y462 HydrophobicContact CB-CE2 4.02Å; P159-Y462 HydrophobicContact CB-CG 3.93Å; P159-Y462 HydrophobicContact CG-CD1 3.58Å; P159-Y462 HydrophobicContact CG-CE1 3.72Å; P159-Y462 HydrophobicContact CG-CG 4.11Å; C160-Y462 WeakPolarHBondContact CB-OH 3.06Å; C160-Y462 PolarHBondContact N-OH 3.47Å; V458-Y462 HydrophobicContact CG1-CD2 3.92Å; V458-Y462 HydrophobicContact CG1-CE2 3.62Å; V458-Y462 WeakPolarHBondContact O-CD2 3.49Å; V458-Y462 PolarHBondContact O-N 3.02Å; K459-Y462 PolarHBondContact O-N 3.38Å; L460-Y462 VanDerWaalsContact C-N 3.35Å; L460-Y462 PolarHBondContact O-N 3.42Å; Y462-N465 WeakPolarHBondContact O-CB 3.47Å; Y462-N465 PolarHBondContact O-N 2.91Å; Y462-V466 WeakPolarHBondContact O-CG2 3.46Å; Y462-V466 PolarHBondContact O-N 3.12Å
463	L	96.1	Very high	93.4	Very high	22 Å²	22	39.8 Å²	39.8	12%	0.115	21%	0.207	C	C	.	.	H	α-helix	trans	-63.6	-47.9	179.5	-178.9	63	0	0	0	111.8	K459 L460 N465 V466 I467 F554 M557	K459-L463 PolarHBondContact O-N 3.45Å; K459-L463 VanDerWaalsContact O-N 3.14Å; L460-L463 PolarHBondContact O-N 2.69Å; L463-N465 VanDerWaalsContact C-N 3.27Å; L463-N465 PolarHBondContact O-N 3.24Å; L463-V466 PolarHBondContact O-N 3.22Å; L463-I467 HydrophobicContact CD1-CD1 4.17Å; L463-I467 HydrophobicContact CG-CD1 4.01Å; L463-I467 WeakPolarHBondContact O-CG1 3.41Å; L463-I467 PolarHBondContact O-N 2.98Å; L463-F554 HydrophobicContact CD1-CB 4.18Å; L463-F554 HydrophobicContact CD1-CD2 4.49Å; L463-F554 HydrophobicContact CD2-CD2 3.95Å; L463-M557 HydrophobicContact CD2-CE 3.52Å; L463-M557 HydrophobicContact CD2-SD 3.91Å
464	S	96.1	Very high	93.1	Very high	70 Å²	70	34.9 Å²	34.9	49%	0.49	19%	0.189	S	C	.	.	H	α-helix	trans	-62.3	-32.8	175	-62.6	0	0	0	0	112.6	L460 G468	L460-S464 WeakPolarHBondContact O-CB 3.45Å; L460-S464 PolarHBondContact O-N 2.83Å; L460-S464 PolarHBondContact O-OG 2.68Å; S464-G468 PolarHBondContact O-N 2.82Å
465	N	96.6	Very high	92.8	Very high	19 Å²	19	43.9 Å²	43.9	10%	0.102	22%	0.224	C	C	.	.	H	α-helix	trans	-64.1	-54.1	171.8	175.8	68.5	0	0	0	110.8	L155 F156 I461 Y462 L463 I467 G468 Q469	L155-N465 WeakPolarHBondContact CB-OD1 3.42Å; F156-N465 VanDerWaalsContact CD1-ND2 3.33Å; F156-N465 WeakPolarHBondContact CD1-ND2 3.3Å; F156-N465 WeakPolarHBondContact CE1-ND2 3.48Å; I461-N465 WeakPolarHBondContact O-CB 3.36Å; I461-N465 PolarHBondContact O-N 3.23Å; Y462-N465 WeakPolarHBondContact O-CB 3.47Å; Y462-N465 PolarHBondContact O-N 2.91Å; L463-N465 VanDerWaalsContact C-N 3.27Å; L463-N465 PolarHBondContact O-N 3.24Å; N465-I467 VanDerWaalsContact C-N 3.29Å; N465-I467 PolarHBondContact O-N 3.45Å; N465-G468 CarbonylContact O-C 3.54Å; N465-G468 WeakPolarHBondContact O-CA 3.39Å; N465-G468 PolarHBondContact O-N 2.72Å; N465-Q469 WeakPolarHBondContact O-CG 3.43Å; N465-Q469 PolarHBondContact O-N 2.96Å; N465-Q469 PolarHBondContact OD1-NE2 3.08Å
466	V	95.5	Very high	92.5	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.006	23%	0.229	C	C	.	.	H	α-helix	trans	-55.6	-45.7	-179.2	178.1	0	0	0	0	111.4	N31 F156 Y462 L463 G468 Q469 I470 F546 V549	N31-V466 WeakPolarHBondContact OD1-CG2 3.33Å; F156-V466 HydrophobicContact CE1-CG2 4.02Å; Y462-V466 WeakPolarHBondContact O-CG2 3.46Å; Y462-V466 PolarHBondContact O-N 3.12Å; L463-V466 PolarHBondContact O-N 3.22Å; V466-G468 VanDerWaalsContact C-N 3.34Å; V466-G468 PolarHBondContact O-N 3.13Å; V466-Q469 PolarHBondContact O-N 2.88Å; V466-Q469 VanDerWaalsContact O-N 3.17Å; V466-I470 HydrophobicContact CG1-CD1 4.35Å; V466-I470 PolarHBondContact O-N 3.18Å; V466-I470 VanDerWaalsContact O-N 3.16Å; V466-F546 WeakPolarHBondContact CG1-O 3.5Å; V466-V549 HydrophobicContact CG2-CG1 3.97Å
467	I	93.4	Very high	91.8	Very high	80 Å²	80	43.8 Å²	43.8	41%	0.41	22%	0.222	S	C	.	.	H	α-helix	trans	-59.2	-46.1	175.5	-67	166.7	0	0	0	110.7	L463 N465 Q469 I470 F471	L463-I467 HydrophobicContact CD1-CD1 4.17Å; L463-I467 HydrophobicContact CG-CD1 4.01Å; L463-I467 WeakPolarHBondContact O-CG1 3.41Å; L463-I467 PolarHBondContact O-N 2.98Å; N465-I467 VanDerWaalsContact C-N 3.29Å; N465-I467 PolarHBondContact O-N 3.45Å; I467-Q469 VanDerWaalsContact C-N 3.32Å; I467-Q469 PolarHBondContact O-N 3.36Å; I467-I470 PolarHBondContact O-N 3.11Å; I467-F471 HydrophobicContact CG2-CD2 3.81Å; I467-F471 HydrophobicContact CG2-CE2 3.52Å; I467-F471 WeakPolarHBondContact O-CD2 3.44Å; I467-F471 PolarHBondContact O-N 3.41Å; I467-F471 VanDerWaalsContact O-N 3.13Å
468	G	93.5	Very high	90.8	Very high	32 Å²	32	40.9 Å²	40.9	33%	0.33	21%	0.213	S	C	.	.	H	α-helix	trans	-63.1	-31.2	175.2	0	0	0	0	0	114.4	S464 N465 V466 L472	S464-G468 PolarHBondContact O-N 2.82Å; N465-G468 CarbonylContact O-C 3.54Å; N465-G468 WeakPolarHBondContact O-CA 3.39Å; N465-G468 PolarHBondContact O-N 2.72Å; V466-G468 VanDerWaalsContact C-N 3.34Å; V466-G468 PolarHBondContact O-N 3.13Å; G468-L472 WeakPolarHBondContact O-CB 3.33Å; G468-L472 PolarHBondContact O-N 3.04Å
469	Q	93.6	Very high	89.7	Confident	4 Å²	4	41.4 Å²	41.4	2%	0.019	22%	0.216	C	C	.	.	H	α-helix	trans	-71.5	-32.7	175.3	-61.6	-51.8	-36.6	0	0	112.4	L155 F156 N465 V466 I467 L473 F546	L155-Q469 VanDerWaalsContact CB-NE2 3.29Å; F156-Q469 HydrophobicContact CD2-CG 4.36Å; F156-Q469 HydrophobicContact CE2-CB 4.38Å; F156-Q469 HydrophobicContact CE2-CG 3.64Å; F156-Q469 HydrophobicContact CZ-CB 4.39Å; F156-Q469 HydrophobicContact CZ-CG 3.82Å; N465-Q469 WeakPolarHBondContact O-CG 3.43Å; N465-Q469 PolarHBondContact O-N 2.96Å; N465-Q469 PolarHBondContact OD1-NE2 3.08Å; V466-Q469 PolarHBondContact O-N 2.88Å; V466-Q469 VanDerWaalsContact O-N 3.17Å; I467-Q469 VanDerWaalsContact C-N 3.32Å; I467-Q469 PolarHBondContact O-N 3.36Å; Q469-L473 WeakPolarHBondContact O-CB 2.98Å; Q469-L473 PolarHBondContact O-N 2.98Å; Q469-F546 HydrophobicContact CB-CD2 3.93Å; Q469-F546 HydrophobicContact CB-CE2 3.89Å; Q469-F546 HydrophobicContact CB-CZ 4.47Å
470	I	91	Very high	88.5	Confident	30 Å²	30	49.3 Å²	49.3	15%	0.154	25%	0.254	C	S	.	.	H	α-helix	trans	-68.4	-50.8	174.4	-65.1	167.1	0	0	0	109.6	V466 I467 L472 L473 E474 F546	V466-I470 HydrophobicContact CG1-CD1 4.35Å; V466-I470 PolarHBondContact O-N 3.18Å; V466-I470 VanDerWaalsContact O-N 3.16Å; I467-I470 PolarHBondContact O-N 3.11Å; I470-L472 VanDerWaalsContact C-N 3.34Å; I470-L472 PolarHBondContact O-N 2.91Å; I470-L473 WeakPolarHBondContact O-CB 3.39Å; I470-L473 PolarHBondContact O-N 3.15Å; I470-L473 VanDerWaalsContact O-N 3.11Å; I470-E474 WeakPolarHBondContact O-CG 3.35Å; I470-E474 PolarHBondContact O-N 3.03Å; I470-F546 HydrophobicContact CD1-CB 4.39Å; I470-F546 HydrophobicContact CG1-CB 3.94Å
471	F	89.3	Confident	87.3	Confident	116 Å²	116	49.4 Å²	49.4	51%	0.509	25%	0.248	S	C	.	.	H	α-helix	trans	-61.6	-37.8	175.6	-72.8	-55.5	0	0	0	113.5	I467 L473 E474 Y475	I467-F471 HydrophobicContact CG2-CD2 3.81Å; I467-F471 HydrophobicContact CG2-CE2 3.52Å; I467-F471 WeakPolarHBondContact O-CD2 3.44Å; I467-F471 PolarHBondContact O-N 3.41Å; I467-F471 VanDerWaalsContact O-N 3.13Å; F471-L473 VanDerWaalsContact C-N 3.32Å; F471-E474 PolarHBondContact O-N 3.24Å; F471-Y475 WeakPolarHBondContact O-CB 3.3Å; F471-Y475 PolarHBondContact O-N 3.02Å
472	L	90.3	Very high	85.8	Confident	45 Å²	45	52.4 Å²	52.4	24%	0.236	27%	0.265	C	S	.	.	H	α-helix	trans	-63	-40.2	174.6	-177.5	169.4	0	0	0	110.9	L148 Q152 G468 I470 Y476	L148-L472 HydrophobicContact CD1-CD2 3.78Å; L148-L472 HydrophobicContact CD2-CD2 3.88Å; L148-L472 HydrophobicContact CG-CD2 3.94Å; Q152-L472 HydrophobicContact CG-CD2 4.39Å; G468-L472 WeakPolarHBondContact O-CB 3.33Å; G468-L472 PolarHBondContact O-N 3.04Å; I470-L472 VanDerWaalsContact C-N 3.34Å; I470-L472 PolarHBondContact O-N 2.91Å; L472-Y476 WeakPolarHBondContact O-CB 3.49Å; L472-Y476 PolarHBondContact O-N 2.92Å
473	L	87.2	Confident	84.6	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-65.3	-44.5	175.9	-179.9	56.8	0	0	0	111.5	Q469 I470 F471 Y476 T477 Y539 W543	Q469-L473 WeakPolarHBondContact O-CB 2.98Å; Q469-L473 PolarHBondContact O-N 2.98Å; I470-L473 WeakPolarHBondContact O-CB 3.39Å; I470-L473 PolarHBondContact O-N 3.15Å; I470-L473 VanDerWaalsContact O-N 3.11Å; F471-L473 VanDerWaalsContact C-N 3.32Å; L473-Y476 PolarHBondContact O-N 3.06Å; L473-T477 HydrophobicContact CD1-CG2 4.03Å; L473-T477 WeakPolarHBondContact O-CG2 3.41Å; L473-T477 PolarHBondContact O-N 2.84Å; L473-T477 PolarHBondContact O-OG1 3.28Å; L473-Y539 HydrophobicContact CD1-CD1 3.33Å; L473-Y539 HydrophobicContact CD1-CE1 3.92Å; L473-Y539 HydrophobicContact CD1-CG 3.83Å; L473-W543 HydrophobicContact CD2-CB 3.83Å; L473-W543 HydrophobicContact CD2-CG 4.44Å
474	E	84.9	Confident	83.5	Confident	12 Å²	12	57.7 Å²	57.7	6%	0.056	29%	0.287	C	S	.	.	H	α-helix	trans	-64.9	-41.9	178.9	-71.5	170.3	171.6	0	0	112.4	I470 F471 Y476 T477 G478 V479 Y484 W543	I470-E474 WeakPolarHBondContact O-CG 3.35Å; I470-E474 PolarHBondContact O-N 3.03Å; F471-E474 PolarHBondContact O-N 3.24Å; E474-Y476 VanDerWaalsContact C-N 3.34Å; E474-Y476 PolarHBondContact O-N 2.64Å; E474-T477 PolarHBondContact O-OG1 2.99Å; E474-G478 PolarHBondContact O-N 2.9Å; E474-V479 PolarHBondContact O-N 3.15Å; E474-Y484 HydrophobicContact CG-CG 4.49Å; E474-W543 PolarHBondContact OE1-NE1 3.25Å
475	Y	85.3	Confident	82.5	Confident	206 Å²	206	54.4 Å²	54.4	81%	0.808	26%	0.264	S	S	*	.	H	α-helix	trans	-61.1	-41.6	171.4	177.9	-100.1	0	0	0	112.2	F471 G478	F471-Y475 WeakPolarHBondContact O-CB 3.3Å; F471-Y475 PolarHBondContact O-N 3.02Å; Y475-G478 PolarHBondContact O-N 3.31Å
476	Y	84.9	Confident	81.6	Confident	30 Å²	30	57.8 Å²	57.8	12%	0.118	28%	0.281	C	S	.	.	H	α-helix	trans	-75.2	-34.8	-177.9	173	-86.5	0	0	0	113.6	Y141 A145 L148 L472 L473 E474 Y539	Y141-Y476 HydrophobicContact CD2-CE1 4.14Å; Y141-Y476 HydrophobicContact CG-CE1 4.46Å; Y141-Y476 PolarHBondContact O-OH 3.2Å; A145-Y476 WeakPolarHBondContact CA-OH 3.22Å; A145-Y476 WeakPolarHBondContact CB-OH 3.24Å; A145-Y476 PolarHBondContact N-OH 3.07Å; L148-Y476 HydrophobicContact CB-CE2 4.42Å; L148-Y476 HydrophobicContact CD1-CD2 3.84Å; L148-Y476 HydrophobicContact CD1-CE2 4.26Å; L148-Y476 HydrophobicContact CD1-CG 4.47Å; L148-Y476 HydrophobicContact CD2-CD1 3.85Å; L148-Y476 HydrophobicContact CD2-CD2 3.52Å; L148-Y476 HydrophobicContact CD2-CE1 4.1Å; L148-Y476 HydrophobicContact CD2-CE2 3.74Å; L148-Y476 HydrophobicContact CD2-CG 3.55Å; L148-Y476 HydrophobicContact CG-CD2 4.22Å; L148-Y476 HydrophobicContact CG-CE2 4.36Å; L472-Y476 WeakPolarHBondContact O-CB 3.49Å; L472-Y476 PolarHBondContact O-N 2.92Å; L473-Y476 PolarHBondContact O-N 3.06Å; E474-Y476 VanDerWaalsContact C-N 3.34Å; E474-Y476 PolarHBondContact O-N 2.64Å; Y476-Y539 HydrophobicContact CD1-CE2 4.39Å; Y476-Y539 HydrophobicContact CE1-CD2 4.5Å; Y476-Y539 HydrophobicContact CE1-CE1 4.37Å; Y476-Y539 AromaticContact CE1-CE2 3.58Å; Y476-Y539 HydrophobicContact CE1-CE2 3.58Å; Y476-Y539 AromaticContact CE1-CZ 3.5Å; Y476-Y539 VanDerWaalsContact CE1-OH 3.29Å; Y476-Y539 WeakPolarHBondContact CE1-OH 3.49Å; Y476-Y539 PolarHBondContact OH-OH 3.08Å
477	T	79.2	Confident	80.8	Confident	10 Å²	10	63.3 Å²	63.3	6%	0.061	30%	0.302	C	S	.	.	H	α-helix	trans	-74.4	-16.9	170.1	60	0	0	0	0	112.2	L473 E474 Y484 F504	L473-T477 HydrophobicContact CD1-CG2 4.03Å; L473-T477 WeakPolarHBondContact O-CG2 3.41Å; L473-T477 PolarHBondContact O-N 2.84Å; L473-T477 PolarHBondContact O-OG1 3.28Å; E474-T477 PolarHBondContact O-OG1 2.99Å; T477-Y484 HydrophobicContact CG2-CE1 4.05Å; T477-Y484 HydrophobicContact CG2-CE2 4.29Å; T477-F504 HydrophobicContact CG2-CE2 3.93Å; T477-F504 HydrophobicContact CG2-CZ 3.72Å
478	G	73.4	Confident	79.8	Confident	26 Å²	26	60.6 Å²	60.6	27%	0.268	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.2	47.2	176	0	0	0	0	0	111.7	R137 E474 Y475	R137-G478 PolarHBondContact NH1-O 2.86Å; R137-G478 PolarHBondContact NH2-O 3.36Å; E474-G478 PolarHBondContact O-N 2.9Å; Y475-G478 PolarHBondContact O-N 3.31Å
479	V	71.7	Confident	79.1	Confident	13 Å²	13	63 Å²	63	8%	0.079	29%	0.294	C	S	.	.			trans	-117.9	127.9	179.5	-175.6	0	0	0	0	109.4	E474 Y481 Y484 H503	E474-V479 PolarHBondContact O-N 3.15Å; V479-Y481 HydrophobicContact CG1-CD2 3.6Å; V479-Y481 HydrophobicContact CG1-CE2 4.33Å; V479-Y481 HydrophobicContact CG1-CG 4.38Å; V479-Y481 PolarHBondContact O-N 2.83Å; V479-Y484 HydrophobicContact CB-CD2 3.72Å; V479-Y484 HydrophobicContact CB-CE2 4.36Å; V479-Y484 HydrophobicContact CG1-CD2 3.97Å; V479-Y484 HydrophobicContact CG2-CD2 3.6Å; V479-Y484 HydrophobicContact CG2-CE2 3.71Å; V479-H503 WeakPolarHBondContact CG1-NE2 3.38Å; V479-H503 WeakPolarHBondContact CG2-NE2 3.32Å
480	E	69.1	Low	78.4	Confident	173 Å²	173	68.8 Å²	68.8	81%	0.808	32%	0.316	S	S	*	.	S	Bend	trans	-75	8.6	-168.2	-58.8	176.7	164.3	0	0	114.3
481	Y	69.7	Low	77.7	Confident	97 Å²	97	68.9 Å²	68.9	38%	0.38	32%	0.318	S	S	.	.			trans	-115.6	114.4	-171.1	-52.3	-57.2	0	0	0	111.4	V479 F483 Y484 R487	V479-Y481 HydrophobicContact CG1-CD2 3.6Å; V479-Y481 HydrophobicContact CG1-CE2 4.33Å; V479-Y481 HydrophobicContact CG1-CG 4.38Å; V479-Y481 PolarHBondContact O-N 2.83Å; Y481-F483 PolarHBondContact O-N 3.38Å; Y481-Y484 PolarHBondContact O-N 2.99Å; Y481-R487 PolarHBondContact OH-NH1 3.3Å
482	N	64.3	Low	77.1	Confident	111 Å²	111	67 Å²	67	59%	0.594	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	10.2	177.5	-57.4	-81.9	0	0	0	116.1
483	F	72.7	Confident	76.7	Confident	133 Å²	133	69.1 Å²	69.1	58%	0.583	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.9	39.1	175.9	-68.7	-73.9	0	0	0	110.2	Y481 G485 I486 R487	Y481-F483 PolarHBondContact O-N 3.38Å; F483-G485 VanDerWaalsContact C-N 3.31Å; F483-G485 PolarHBondContact O-N 3.38Å; F483-G485 VanDerWaalsContact O-N 3.16Å; F483-I486 HydrophobicContact CD1-CD1 4.23Å; F483-I486 PolarHBondContact O-N 2.83Å; F483-R487 PolarHBondContact O-N 2.86Å; F483-R487 VanDerWaalsContact O-N 3.16Å
484	Y	71.8	Confident	76.5	Confident	2 Å²	2	76.3 Å²	76.3	1%	0.008	36%	0.363	C	S	.	.	H	α-helix	trans	-41.8	-52.6	-174.1	161.2	-102.9	0	0	0	113.1	E474 T477 V479 Y481 I486 R487 V488 F504	E474-Y484 HydrophobicContact CG-CG 4.49Å; T477-Y484 HydrophobicContact CG2-CE1 4.05Å; T477-Y484 HydrophobicContact CG2-CE2 4.29Å; V479-Y484 HydrophobicContact CB-CD2 3.72Å; V479-Y484 HydrophobicContact CB-CE2 4.36Å; V479-Y484 HydrophobicContact CG1-CD2 3.97Å; V479-Y484 HydrophobicContact CG2-CD2 3.6Å; V479-Y484 HydrophobicContact CG2-CE2 3.71Å; Y481-Y484 PolarHBondContact O-N 2.99Å; Y484-I486 PolarHBondContact O-N 3.21Å; Y484-R487 PolarHBondContact O-N 3.27Å; Y484-V488 HydrophobicContact CD2-CG2 3.82Å; Y484-V488 HydrophobicContact CE2-CB 4.4Å; Y484-V488 HydrophobicContact CE2-CG2 3.38Å; Y484-V488 PolarHBondContact O-N 2.98Å; Y484-F504 VanDerWaalsContact OH-CE2 3.23Å; Y484-F504 WeakPolarHBondContact OH-CE2 3.25Å
485	G	75.3	Confident	76.3	Confident	1 Å²	1	78.3 Å²	78.3	1%	0.01	39%	0.387	C	S	.	.	H	α-helix	trans	-69.9	-25.7	-175.6	0	0	0	0	0	114.9	F483 L489	F483-G485 VanDerWaalsContact C-N 3.31Å; F483-G485 PolarHBondContact O-N 3.38Å; F483-G485 VanDerWaalsContact O-N 3.16Å; G485-L489 WeakPolarHBondContact O-CB 3.33Å; G485-L489 PolarHBondContact O-N 2.89Å; G485-L489 VanDerWaalsContact O-N 3.1Å
486	I	77.7	Confident	75.8	Confident	91 Å²	91	74 Å²	74	47%	0.467	37%	0.369	S	S	.	.	H	α-helix	trans	-72.8	-45.4	170.9	-70.9	165.4	0	0	0	109.7	F483 Y484 L489 Y490 W543	F483-I486 HydrophobicContact CD1-CD1 4.23Å; F483-I486 PolarHBondContact O-N 2.83Å; Y484-I486 PolarHBondContact O-N 3.21Å; I486-L489 PolarHBondContact O-N 2.95Å; I486-Y490 VanDerWaalsContact O-CB 3.31Å; I486-Y490 WeakPolarHBondContact O-CB 3.36Å; I486-Y490 PolarHBondContact O-N 2.96Å; I486-W543 HydrophobicContact CD1-CH2 3.81Å; I486-W543 HydrophobicContact CG1-CH2 3.59Å; I486-W543 HydrophobicContact CG1-CZ2 4.46Å; I486-W543 HydrophobicContact CG1-CZ3 3.96Å
487	R	78	Confident	75.5	Confident	116 Å²	116	77.6 Å²	77.6	44%	0.438	39%	0.387	S	S	.	.	H	α-helix	trans	-63.8	-48	179.6	-175.6	171.9	-68.9	-147.9	1.1	111.3	Y481 F483 Y484 L489 Y490 D491	Y481-R487 PolarHBondContact OH-NH1 3.3Å; F483-R487 PolarHBondContact O-N 2.86Å; F483-R487 VanDerWaalsContact O-N 3.16Å; Y484-R487 PolarHBondContact O-N 3.27Å; R487-L489 VanDerWaalsContact C-N 3.34Å; R487-L489 PolarHBondContact O-N 3.06Å; R487-Y490 WeakPolarHBondContact O-CB 3.4Å; R487-Y490 PolarHBondContact O-N 3.26Å; R487-Y490 VanDerWaalsContact O-N 3.09Å; R487-D491 VanDerWaalsContact CG-OD2 3.25Å; R487-D491 WeakPolarHBondContact CG-OD2 3.48Å; R487-D491 PolarHBondContact O-N 3.21Å
488	V	74	Confident	75.4	Confident	24 Å²	24	78.9 Å²	78.9	15%	0.145	39%	0.391	C	S	.	.	H	α-helix	trans	-63.8	-36.3	176.5	171.2	0	0	0	0	112.4	Y484 Y490 L492 I540	Y484-V488 HydrophobicContact CD2-CG2 3.82Å; Y484-V488 HydrophobicContact CE2-CB 4.4Å; Y484-V488 HydrophobicContact CE2-CG2 3.38Å; Y484-V488 PolarHBondContact O-N 2.98Å; V488-Y490 VanDerWaalsContact C-N 3.32Å; V488-Y490 PolarHBondContact O-N 3.45Å; V488-L492 WeakPolarHBondContact O-CB 3.14Å; V488-L492 PolarHBondContact O-N 2.93Å; V488-I540 HydrophobicContact CG1-CD1 3.63Å; V488-I540 HydrophobicContact CG1-CG1 3.8Å
489	L	76.9	Confident	75.5	Confident	82 Å²	82	82 Å²	82	43%	0.429	40%	0.399	S	S	.	.	H	α-helix	trans	-65.9	-35.8	173.6	-176.8	61.6	0	0	0	112.1	G485 I486 R487 A493	G485-L489 WeakPolarHBondContact O-CB 3.33Å; G485-L489 PolarHBondContact O-N 2.89Å; G485-L489 VanDerWaalsContact O-N 3.1Å; I486-L489 PolarHBondContact O-N 2.95Å; R487-L489 VanDerWaalsContact C-N 3.34Å; R487-L489 PolarHBondContact O-N 3.06Å; L489-A493 WeakPolarHBondContact O-CB 3.45Å; L489-A493 PolarHBondContact O-N 3.16Å
490	Y	80.9	Confident	75.7	Confident	125 Å²	125	86.8 Å²	86.8	49%	0.49	42%	0.42	S	S	.	.	H	α-helix	trans	-71.6	-45	177.1	177.5	-95.2	0	0	0	112.7	I486 R487 V488 A493 R494	I486-Y490 VanDerWaalsContact O-CB 3.31Å; I486-Y490 WeakPolarHBondContact O-CB 3.36Å; I486-Y490 PolarHBondContact O-N 2.96Å; R487-Y490 WeakPolarHBondContact O-CB 3.4Å; R487-Y490 PolarHBondContact O-N 3.26Å; R487-Y490 VanDerWaalsContact O-N 3.09Å; V488-Y490 VanDerWaalsContact C-N 3.32Å; V488-Y490 PolarHBondContact O-N 3.45Å; Y490-A493 PolarHBondContact O-N 3.27Å; Y490-R494 WeakPolarHBondContact O-CG 3.23Å; Y490-R494 PolarHBondContact O-N 3.4Å; Y490-R494 PolarHBondContact OH-NH1 2.79Å; Y490-R494 PolarHBondContact OH-NH2 2.97Å; Y490-R494 VanDerWaalsContact OH-NH2 3.17Å
491	D	76.3	Confident	75.9	Confident	33 Å²	33	80.9 Å²	80.9	18%	0.176	40%	0.398	C	S	.	.	H	α-helix	trans	-67.8	-38.8	176.7	-71.1	-47.5	0	0	0	111.4	R487 R494 G495 R496	R487-D491 VanDerWaalsContact CG-OD2 3.25Å; R487-D491 WeakPolarHBondContact CG-OD2 3.48Å; R487-D491 PolarHBondContact O-N 3.21Å; D491-R494 CarbonylContact O-C 3.56Å; D491-R494 WeakPolarHBondContact O-CA 3.44Å; D491-R494 PolarHBondContact O-N 3.4Å; D491-R494 VanDerWaalsContact O-N 3.13Å; D491-G495 PolarHBondContact O-N 2.98Å; D491-G495 VanDerWaalsContact O-N 3.1Å; D491-R496 HydrophobicContact CB-CB 4.25Å; D491-R496 PolarHBondContact O-N 2.84Å; D491-R496 WeakPolarHBondContact OD1-CD 3.45Å; D491-R496 IonicContact OD1-CZ 2.78Å; D491-R496 IonicContact OD1-NE 3.54Å; D491-R496 IonicContact OD1-NH1 2.68Å; D491-R496 PolarHBondContact OD1-NH1 3.44Å
492	L	75.9	Confident	76.1	Confident	77 Å²	77	76.5 Å²	76.5	40%	0.403	38%	0.382	S	S	.	.	H	α-helix	trans	-64.6	-37.9	171.5	-177.5	65.6	0	0	0	112.1	V488 R494 G495 I540	V488-L492 WeakPolarHBondContact O-CB 3.14Å; V488-L492 PolarHBondContact O-N 2.93Å; L492-R494 PolarHBondContact O-N 3.47Å; L492-G495 PolarHBondContact O-N 2.96Å; L492-G495 VanDerWaalsContact O-N 3.17Å; L492-I540 HydrophobicContact CD2-CD1 4.42Å
493	A	81.7	Confident	76.6	Confident	88 Å²	88	73.4 Å²	73.4	73%	0.727	36%	0.364	S	S	*	.	H	α-helix	trans	-69.8	-20.5	173.7	0	0	0	0	0	113.2	L489 Y490	L489-A493 WeakPolarHBondContact O-CB 3.45Å; L489-A493 PolarHBondContact O-N 3.16Å; Y490-A493 PolarHBondContact O-N 3.27Å
494	R	83.6	Confident	77	Confident	152 Å²	152	67.4 Å²	67.4	57%	0.574	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-1.4	171.1	-75.6	179.3	158.2	-159.3	-8.6	113.8	Y490 D491 L492 R496	Y490-R494 WeakPolarHBondContact O-CG 3.23Å; Y490-R494 PolarHBondContact O-N 3.4Å; Y490-R494 PolarHBondContact OH-NH1 2.79Å; Y490-R494 PolarHBondContact OH-NH2 2.97Å; Y490-R494 VanDerWaalsContact OH-NH2 3.17Å; D491-R494 CarbonylContact O-C 3.56Å; D491-R494 WeakPolarHBondContact O-CA 3.44Å; D491-R494 PolarHBondContact O-N 3.4Å; D491-R494 VanDerWaalsContact O-N 3.13Å; L492-R494 PolarHBondContact O-N 3.47Å; R494-R496 VanDerWaalsContact C-N 3.28Å; R494-R496 PolarHBondContact O-N 3.35Å
495	G	79.1	Confident	77.8	Confident	54 Å²	54	67.4 Å²	67.4	56%	0.557	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.8	8.3	179.4	0	0	0	0	0	115.4	D491 L492	D491-G495 PolarHBondContact O-N 2.98Å; D491-G495 VanDerWaalsContact O-N 3.1Å; L492-G495 PolarHBondContact O-N 2.96Å; L492-G495 VanDerWaalsContact O-N 3.17Å
496	R	76.3	Confident	78.5	Confident	117 Å²	117	70.8 Å²	70.8	44%	0.442	35%	0.35	S	S	.	.			trans	-63	139.1	176.4	-71.2	-172.5	169.3	144.7	-11	110.8	D491 R494 E500	D491-R496 HydrophobicContact CB-CB 4.25Å; D491-R496 PolarHBondContact O-N 2.84Å; D491-R496 WeakPolarHBondContact OD1-CD 3.45Å; D491-R496 IonicContact OD1-CZ 2.78Å; D491-R496 IonicContact OD1-NE 3.54Å; D491-R496 IonicContact OD1-NH1 2.68Å; D491-R496 PolarHBondContact OD1-NH1 3.44Å; R494-R496 VanDerWaalsContact C-N 3.28Å; R494-R496 PolarHBondContact O-N 3.35Å; R496-E500 WeakPolarHBondContact CD-OE2 3.14Å; R496-E500 VanDerWaalsContact CG-OE2 3.3Å; R496-E500 WeakPolarHBondContact CG-OE2 3.2Å; R496-E500 IonicContact NE-OE2 3.56Å
497	Q	78.1	Confident	79.1	Confident	104 Å²	104	68.1 Å²	68.1	49%	0.486	34%	0.338	S	S	.	.			trans	-101.6	171.5	-173.8	-56.6	-151.1	49.5	0	0	112.8	E499 E500 S501	Q497-E499 PolarHBondContact O-N 2.87Å; Q497-E500 PolarHBondContact O-N 3.45Å; Q497-S501 PolarHBondContact O-N 2.98Å; Q497-S501 PolarHBondContact O-OG 2.93Å
498	W	77.7	Confident	79.7	Confident	37 Å²	37	62.6 Å²	62.6	14%	0.14	32%	0.317	C	S	.	.	H	α-helix	trans	-64.6	-21.1	177.1	57.9	-82.3	0	0	0	112.6	F83 S501 G502 H503 P505 R506 V507	F83-W498 HydrophobicContact CD2-CZ3 4.39Å; F83-W498 HydrophobicContact CE2-CE3 4.12Å; F83-W498 AromaticContact CE2-CZ3 3.83Å; F83-W498 HydrophobicContact CE2-CZ3 3.83Å; W498-S501 WeakPolarHBondContact CA-OG 3.4Å; W498-G502 WeakPolarHBondContact O-CA 3.33Å; W498-G502 PolarHBondContact O-N 3.02Å; W498-H503 WeakPolarHBondContact CB-O 3.21Å; W498-P505 HydrophobicContact CE3-CB 3.58Å; W498-P505 HydrophobicContact CZ3-CB 4.03Å; W498-R506 HydrophobicContact CD2-CB 4.32Å; W498-R506 HydrophobicContact CD2-CG 4.35Å; W498-R506 HydrophobicContact CG-CG 4.32Å; W498-R506 HydrophobicContact CZ2-CB 4.27Å; W498-V507 HydrophobicContact CH2-CB 3.71Å; W498-V507 HydrophobicContact CH2-CG2 3.67Å; W498-V507 HydrophobicContact CZ2-CG2 4.22Å; W498-V507 HydrophobicContact CZ3-CB 4.16Å
499	E	75.8	Confident	80.5	Confident	93 Å²	93	63.6 Å²	63.6	44%	0.435	32%	0.32	S	S	.	.	H	α-helix	trans	-68.8	-44.2	178.5	-66.8	160.4	-147	0	0	112.1	Q497	Q497-E499 PolarHBondContact O-N 2.87Å
500	E	74.1	Confident	81.2	Confident	113 Å²	113	59.8 Å²	59.8	53%	0.528	30%	0.3	S	S	.	.	H	α-helix	trans	-70.8	-51.1	172.7	-67.3	172.3	-158.7	0	0	111.3	H85 R496 Q497	H85-E500 PolarHBondContact CE1-O 3.27Å; R496-E500 WeakPolarHBondContact CD-OE2 3.14Å; R496-E500 VanDerWaalsContact CG-OE2 3.3Å; R496-E500 WeakPolarHBondContact CG-OE2 3.2Å; R496-E500 IonicContact NE-OE2 3.56Å; Q497-E500 PolarHBondContact O-N 3.45Å
501	S	74.2	Confident	81.6	Confident	48 Å²	48	55.9 Å²	55.9	34%	0.336	29%	0.288	S	S	.	.	H	α-helix	trans	-80.5	-18.5	-167.8	56.1	0	0	0	0	114.7	Q497 W498 H503	Q497-S501 PolarHBondContact O-N 2.98Å; Q497-S501 PolarHBondContact O-OG 2.93Å; W498-S501 WeakPolarHBondContact CA-OG 3.4Å; S501-H503 PolarHBondContact O-CE1 2.96Å; S501-H503 PolarHBondContact O-N 3.05Å; S501-H503 PolarHBondContact O-ND1 3.42Å
502	G	74	Confident	82	Confident	6 Å²	6	54.4 Å²	54.4	6%	0.062	28%	0.28	C	S	.	.			trans	62.4	8.7	-174.9	0	0	0	0	0	114.5	H85 W498	H85-G502 VanDerWaalsContact CE1-CA 3.41Å; H85-G502 WeakPolarHBondContact CE1-CA 3.35Å; H85-G502 PolarHBondContact CE1-N 3.05Å; W498-G502 WeakPolarHBondContact O-CA 3.33Å; W498-G502 PolarHBondContact O-N 3.02Å
503	H	75	Confident	82.4	Confident	46 Å²	46	54 Å²	54	21%	0.213	28%	0.276	C	S	.	.	S	Bend	trans	-98.6	131.9	-179.9	-61.8	-16.3	0	0	0	109.5	V479 W498 S501	V479-H503 WeakPolarHBondContact CG1-NE2 3.38Å; V479-H503 WeakPolarHBondContact CG2-NE2 3.32Å; W498-H503 WeakPolarHBondContact CB-O 3.21Å; S501-H503 PolarHBondContact O-CE1 2.96Å; S501-H503 PolarHBondContact O-N 3.05Å; S501-H503 PolarHBondContact O-ND1 3.42Å
504	F	81.8	Confident	82.5	Confident	7 Å²	7	50 Å²	50	3%	0.031	24%	0.242	C	C	.	.	S	Bend	trans	51.1	47.9	-176.7	-64.5	-91.6	0	0	0	114.8	Y141 T477 Y484 R506 N532 L535 E536 Y539	Y141-F504 HydrophobicContact CE2-CD1 4.36Å; Y141-F504 HydrophobicContact CE2-CE1 4.07Å; T477-F504 HydrophobicContact CG2-CE2 3.93Å; T477-F504 HydrophobicContact CG2-CZ 3.72Å; Y484-F504 VanDerWaalsContact OH-CE2 3.23Å; Y484-F504 WeakPolarHBondContact OH-CE2 3.25Å; F504-R506 PolarHBondContact O-N 3.25Å; F504-N532 VanDerWaalsContact C-ND2 3.34Å; F504-N532 WeakPolarHBondContact CD1-OD1 3.43Å; F504-L535 HydrophobicContact CD1-CB 4.21Å; F504-L535 HydrophobicContact CE1-CB 3.92Å; F504-E536 HydrophobicContact CB-CB 3.97Å; F504-E536 HydrophobicContact CB-CG 4.05Å; F504-E536 HydrophobicContact CD1-CB 3.91Å; F504-E536 HydrophobicContact CG-CB 3.88Å; F504-E536 HydrophobicContact CG-CG 4.13Å; F504-Y539 AromaticContact CE1-CD2 3.79Å; F504-Y539 HydrophobicContact CE1-CD2 3.79Å; F504-Y539 HydrophobicContact CE1-CE2 4.38Å; F504-Y539 AromaticContact CZ-CD2 3.83Å; F504-Y539 HydrophobicContact CZ-CD2 3.83Å
505	P	87.8	Confident	82.4	Confident	2 Å²	2	49.8 Å²	49.8	1%	0.013	25%	0.246	C	C	.	.			trans	-62.2	139.7	-178	28.5	-35.9	0	0	0	111.6	F83 I139 W498 T508 N532	F83-P505 HydrophobicContact CB-CB 4.21Å; F83-P505 HydrophobicContact CB-CG 3.88Å; F83-P505 HydrophobicContact CD1-CB 4.37Å; F83-P505 HydrophobicContact CD1-CG 4.38Å; F83-P505 HydrophobicContact CD2-CB 3.53Å; F83-P505 HydrophobicContact CD2-CG 4.16Å; F83-P505 HydrophobicContact CE2-CB 3.95Å; F83-P505 HydrophobicContact CG-CB 3.77Å; F83-P505 HydrophobicContact CG-CG 3.89Å; I139-P505 HydrophobicContact CD1-CG 3.46Å; I139-P505 VanDerWaalsContact CD1-CG 3.46Å; W498-P505 HydrophobicContact CE3-CB 3.58Å; W498-P505 HydrophobicContact CZ3-CB 4.03Å; P505-T508 HydrophobicContact CG-CG2 4.46Å; P505-N532 PolarHBondContact O-ND2 3.13Å
506	R	89.8	Confident	82.5	Confident	71 Å²	71	50.4 Å²	50.4	27%	0.268	23%	0.233	S	C	.	.	S	Bend	trans	-100.3	-15.7	-172.6	-58.9	-178.6	-172.6	151.1	4.5	112.8	W498 F504 V528 L529 E536	W498-R506 HydrophobicContact CD2-CB 4.32Å; W498-R506 HydrophobicContact CD2-CG 4.35Å; W498-R506 HydrophobicContact CG-CG 4.32Å; W498-R506 HydrophobicContact CZ2-CB 4.27Å; F504-R506 PolarHBondContact O-N 3.25Å; R506-V528 WeakPolarHBondContact O-CA 3.39Å; R506-L529 PolarHBondContact O-N 2.95Å; R506-E536 IonicContact CZ-OE2 3.6Å; R506-E536 IonicContact NE-OE2 3.7Å; R506-E536 IonicContact NH2-OE1 3.76Å; R506-E536 IonicContact NH2-OE2 2.71Å; R506-E536 PolarHBondContact NH2-OE2 3.04Å
507	V	90.4	Very high	82.6	Confident	35 Å²	35	53.5 Å²	53.5	21%	0.212	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	136.5	167.9	-177	0	0	0	0	107.7	W498 Q526	W498-V507 HydrophobicContact CH2-CB 3.71Å; W498-V507 HydrophobicContact CH2-CG2 3.67Å; W498-V507 HydrophobicContact CZ2-CG2 4.22Å; W498-V507 HydrophobicContact CZ3-CB 4.16Å; V507-Q526 HydrophobicContact CG1-CG 3.58Å
508	T	91.1	Very high	82.4	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	157.3	-178.2	57.9	0	0	0	0	109.3	T81 Y82 I139 P505 C527 L529	T81-T508 WeakPolarHBondContact CB-OG1 3.39Å; T81-T508 WeakPolarHBondContact OG1-CB 3.47Å; T81-T508 PolarHBondContact OG1-OG1 3.37Å; Y82-T508 CarbonylContact O-C 3.58Å; Y82-T508 VanDerWaalsContact O-CA 3.28Å; Y82-T508 WeakPolarHBondContact O-CA 3.5Å; Y82-T508 WeakPolarHBondContact O-CB 3.49Å; I139-T508 HydrophobicContact CD1-CG2 3.56Å; P505-T508 HydrophobicContact CG-CG2 4.46Å; T508-C527 PolarHBondContact N-O 3.27Å; T508-C527 WeakPolarHBondContact O-CA 3.47Å; T508-C527 PolarHBondContact O-N 3.02Å; T508-C527 VanDerWaalsContact O-O 3.08Å; T508-C527 PolarHBondContact OG1-O 2.93Å; T508-L529 HydrophobicContact CG2-CD2 4.35Å
509	F	91.1	Very high	82.6	Confident	46 Å²	46	55.9 Å²	55.9	20%	0.202	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	152.3	178.3	-60.5	-79.3	0	0	0	111	T81 Y82 I84 L525 Q526	T81-F509 CarbonylContact C-O 3.46Å; T81-F509 WeakPolarHBondContact CA-O 3.5Å; T81-F509 VanDerWaalsContact CB-O 3.24Å; T81-F509 WeakPolarHBondContact CB-O 2.99Å; Y82-F509 HydrophobicContact CD1-CB 4.33Å; Y82-F509 VanDerWaalsContact CD1-O 3.27Å; Y82-F509 WeakPolarHBondContact CD1-O 3.4Å; Y82-F509 HydrophobicContact CD2-CB 4.14Å; Y82-F509 HydrophobicContact CE1-CB 3.86Å; Y82-F509 HydrophobicContact CE2-CB 3.63Å; Y82-F509 HydrophobicContact CE2-CD2 4.39Å; Y82-F509 HydrophobicContact CE2-CG 4.35Å; Y82-F509 HydrophobicContact CG-CB 4.46Å; Y82-F509 VanDerWaalsContact CZ-CB 3.47Å; Y82-F509 PolarHBondContact N-O 2.94Å; Y82-F509 PolarHBondContact O-N 2.87Å; I84-F509 HydrophobicContact CD1-CD2 4.15Å; I84-F509 HydrophobicContact CD1-CE2 4.29Å; I84-F509 HydrophobicContact CG1-CD2 4.3Å; F509-L525 CarbonylContact C-O 3.26Å; F509-L525 WeakPolarHBondContact CA-O 3.49Å; F509-Q526 HydrophobicContact CD1-CB 4.34Å; F509-Q526 HydrophobicContact CE1-CB 4.2Å; F509-Q526 HydrophobicContact CE1-CG 4.2Å
510	C	91.4	Very high	82.8	Confident	2 Å²	2	52.6 Å²	52.6	1%	0.014	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	128.3	-178.9	172.6	0	0	0	0	109.8	C76 T81 L525	C76-C510 WeakPolarHBondContact CA-SG 3.47Å; C76-C510 HydrophobicContact CB-CB 3.71Å; C76-C510 WeakPolarHBondContact CB-SG 3.3Å; C76-C510 WeakPolarHBondContact SG-CB 3.48Å; C76-C510 CovalentContact SG-SG 2.03Å; C76-C510 PolarHBondContact SG-SG 3.46Å; T81-C510 HydrophobicContact CG2-CB 4.11Å; C510-L525 HydrophobicContact CB-CB 4.48Å; C510-L525 PolarHBondContact N-O 2.94Å; C510-L525 PolarHBondContact O-N 2.98Å
511	D	89.1	Confident	83.2	Confident	43 Å²	43	48.6 Å²	48.6	23%	0.23	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	127.2	179.8	-63.7	-5.2	0	0	0	110.1	Y75 Y82	Y75-D511 WeakPolarHBondContact CE1-O 3.38Å; Y82-D511 WeakPolarHBondContact CE1-OD1 3.18Å; Y82-D511 PolarHBondContact OH-OD1 3.45Å
512	F	83.1	Confident	83.7	Confident	1 Å²	1	49.3 Å²	49.3	0%	0.004	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	121.7	-168.9	175.6	-111.8	0	0	0	111.3	F64 W68 Y71 Y75 A514 Y523 L525	F64-F512 HydrophobicContact CE2-CD1 4.25Å; F64-F512 AromaticContact CE2-CE1 3.83Å; F64-F512 HydrophobicContact CE2-CE1 3.83Å; F64-F512 HydrophobicContact CZ-CD1 4.29Å; F64-F512 AromaticContact CZ-CE1 3.94Å; F64-F512 HydrophobicContact CZ-CE1 3.94Å; W68-F512 HydrophobicContact CE3-CE1 4.38Å; W68-F512 HydrophobicContact CE3-CZ 4.11Å; W68-F512 HydrophobicContact CZ3-CE1 4.41Å; W68-F512 HydrophobicContact CZ3-CZ 4.01Å; Y71-F512 AromaticContact CD1-CE2 3.89Å; Y71-F512 HydrophobicContact CD1-CE2 3.89Å; Y71-F512 AromaticContact CD1-CZ 3.67Å; Y71-F512 HydrophobicContact CD1-CZ 3.67Å; Y71-F512 AromaticContact CE1-CE2 3.52Å; Y71-F512 HydrophobicContact CE1-CE2 3.52Å; Y71-F512 AromaticContact CE1-CZ 3.57Å; Y71-F512 HydrophobicContact CE1-CZ 3.57Å; Y75-F512 AromaticContact CD1-CD2 3.68Å; Y75-F512 HydrophobicContact CD1-CD2 3.68Å; Y75-F512 HydrophobicContact CD1-CE2 4.41Å; Y75-F512 HydrophobicContact CE1-CD2 4.05Å; Y75-F512 AromaticContact CG-CD2 3.93Å; Y75-F512 HydrophobicContact CG-CD2 3.93Å; Y75-F512 HydrophobicContact CG-CE2 4.21Å; F512-A514 HydrophobicContact CD1-CB 4.37Å; F512-A514 HydrophobicContact CE1-CB 3.82Å; F512-A514 HydrophobicContact CZ-CB 4.44Å; F512-Y523 HydrophobicContact CD1-CD2 4.48Å; F512-Y523 PolarHBondContact N-O 3.5Å; F512-Y523 PolarHBondContact O-N 3.33Å; F512-L525 HydrophobicContact CB-CD1 4.12Å; F512-L525 HydrophobicContact CB-CG 4.47Å; F512-L525 HydrophobicContact CD1-CD1 4.45Å; F512-L525 HydrophobicContact CG-CD1 4.41Å
513	E	84.8	Confident	84.3	Confident	69 Å²	69	49.8 Å²	49.8	32%	0.322	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	118.2	174.4	-169.7	-173.6	154.9	0	0	110.5	K515 S520 Y522	E513-K515 WeakPolarHBondContact OE1-CE 3.31Å; E513-K515 IonicContact OE1-NZ 2.69Å; E513-K515 PolarHBondContact OE1-NZ 3.38Å; E513-S520 VanDerWaalsContact OE1-CB 3.27Å; E513-S520 WeakPolarHBondContact OE1-CB 3.29Å; E513-S520 PolarHBondContact OE1-OG 2.88Å; E513-Y522 HydrophobicContact CB-CD1 3.81Å; E513-Y522 HydrophobicContact CB-CE1 3.62Å; E513-Y522 HydrophobicContact CG-CD1 3.94Å; E513-Y522 HydrophobicContact CG-CE1 3.49Å; E513-Y522 VanDerWaalsContact CG-CE1 3.49Å; E513-Y522 PolarHBondContact OE2-OH 3.42Å
514	A	83.6	Confident	85	Confident	3 Å²	3	51.3 Å²	51.3	3%	0.025	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	126.5	172.4	0	0	0	0	0	110.6	W68 F512 H521 Y523	W68-A514 HydrophobicContact CZ3-CB 4.25Å; F512-A514 HydrophobicContact CD1-CB 4.37Å; F512-A514 HydrophobicContact CE1-CB 3.82Å; F512-A514 HydrophobicContact CZ-CB 4.44Å; A514-H521 PolarHBondContact N-O 3.22Å; A514-H521 PolarHBondContact O-N 3.02Å; A514-Y523 HydrophobicContact CB-CD2 4.19Å; A514-Y523 HydrophobicContact CB-CE2 3.9Å
515	K	83	Confident	85.5	Confident	148 Å²	148	51 Å²	51	64%	0.643	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.1	114	178.2	-61.6	-170.7	178.8	-166.6	0	110	E513 Q519 S520	E513-K515 WeakPolarHBondContact OE1-CE 3.31Å; E513-K515 IonicContact OE1-NZ 2.69Å; E513-K515 PolarHBondContact OE1-NZ 3.38Å; K515-Q519 WeakPolarHBondContact CA-O 3.43Å; K515-S520 WeakPolarHBondContact CE-OG 3.2Å
516	K	80.1	Confident	85.7	Confident	68 Å²	68	55 Å²	55	30%	0.296	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	124.5	174.1	-66.6	179.3	-178.1	169	0	108.1	E63 A518 Q519 Y523	E63-K516 IonicContact OE1-NZ 3.3Å; E63-K516 PolarHBondContact OE1-NZ 3.49Å; E63-K516 IonicContact OE2-NZ 3.99Å; E63-K516 PolarHBondContact OE2-NZ 3.28Å; K516-A518 PolarHBondContact O-N 2.85Å; K516-Q519 PolarHBondContact N-O 3.28Å; K516-Q519 PolarHBondContact O-N 3.24Å; K516-Q519 VanDerWaalsContact O-O 3.09Å; K516-Y523 PolarHBondContact NZ-OH 2.94Å
517	L	78.6	Confident	85.9	Confident	181 Å²	181	51.6 Å²	51.6	95%	0.948	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	37.9	65.9	172.7	-76.5	72.6	0	0	0	113.9	Q519	L517-Q519 PolarHBondContact O-N 3.42Å; L517-Q519 VanDerWaalsContact O-N 3.13Å
518	A	73.5	Confident	86	Confident	118 Å²	118	52.3 Å²	52.3	98%	0.975	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	-6.5	-178.7	0	0	0	0	0	118	K516	K516-A518 PolarHBondContact O-N 2.85Å
519	Q	81.5	Confident	86	Confident	73 Å²	73	52.4 Å²	52.4	34%	0.341	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	136.3	173.9	-164.5	173.4	-7.8	0	0	112.1	K515 K516 L517 H521 S806	K515-Q519 WeakPolarHBondContact CA-O 3.43Å; K516-Q519 PolarHBondContact N-O 3.28Å; K516-Q519 PolarHBondContact O-N 3.24Å; K516-Q519 VanDerWaalsContact O-O 3.09Å; L517-Q519 PolarHBondContact O-N 3.42Å; L517-Q519 VanDerWaalsContact O-N 3.13Å; Q519-H521 VanDerWaalsContact CD-CE1 3.41Å; Q519-S806 VanDerWaalsContact NE2-CB 3.34Å; Q519-S806 PolarHBondContact NE2-OG 3.31Å
520	S	80.9	Confident	86	Confident	24 Å²	24	52.2 Å²	52.2	17%	0.168	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	123.4	166.5	-71.7	0	0	0	0	110	E513 K515	E513-S520 VanDerWaalsContact OE1-CB 3.27Å; E513-S520 WeakPolarHBondContact OE1-CB 3.29Å; E513-S520 PolarHBondContact OE1-OG 2.88Å; K515-S520 WeakPolarHBondContact CE-OG 3.2Å
521	H	83.2	Confident	85.9	Confident	30 Å²	30	52.4 Å²	52.4	14%	0.139	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	134.9	169.9	-62.5	-69.7	0	0	0	110	A514 Q519 Y523	A514-H521 PolarHBondContact N-O 3.22Å; A514-H521 PolarHBondContact O-N 3.02Å; Q519-H521 VanDerWaalsContact CD-CE1 3.41Å; H521-Y523 HydrophobicContact CB-CD2 4.37Å; H521-Y523 HydrophobicContact CB-CE2 3.69Å
522	Y	84.1	Confident	85.9	Confident	63 Å²	63	50.4 Å²	50.4	25%	0.247	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	131.6	177.1	-62.9	-84.4	0	0	0	110.5	A129 E513	A129-Y522 HydrophobicContact CB-CD1 3.59Å; A129-Y522 HydrophobicContact CB-CD2 3.44Å; A129-Y522 VanDerWaalsContact CB-CD2 3.44Å; A129-Y522 HydrophobicContact CB-CE1 3.73Å; A129-Y522 HydrophobicContact CB-CE2 3.6Å; A129-Y522 HydrophobicContact CB-CG 3.43Å; A129-Y522 VanDerWaalsContact CB-CG 3.43Å; E513-Y522 HydrophobicContact CB-CD1 3.81Å; E513-Y522 HydrophobicContact CB-CE1 3.62Å; E513-Y522 HydrophobicContact CG-CD1 3.94Å; E513-Y522 HydrophobicContact CG-CE1 3.49Å; E513-Y522 VanDerWaalsContact CG-CE1 3.49Å; E513-Y522 PolarHBondContact OE2-OH 3.42Å
523	Y	87.4	Confident	86.1	Confident	16 Å²	16	55 Å²	55	6%	0.063	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	124.2	-178.7	-67	-98.3	0	0	0	109.7	P61 E63 F64 F512 A514 K516 H521	P61-Y523 HydrophobicContact CG-CD1 3.75Å; P61-Y523 HydrophobicContact CG-CE1 3.78Å; E63-Y523 PolarHBondContact OE1-OH 3.36Å; F64-Y523 HydrophobicContact CE1-CD1 4.49Å; F64-Y523 AromaticContact CE1-CE1 3.99Å; F64-Y523 HydrophobicContact CE1-CE1 3.99Å; F64-Y523 HydrophobicContact CE1-CE2 4.42Å; F64-Y523 AromaticContact CE1-CZ 3.94Å; F64-Y523 HydrophobicContact CZ-CD1 4.27Å; F64-Y523 HydrophobicContact CZ-CD2 4.34Å; F64-Y523 HydrophobicContact CZ-CE1 4.2Å; F64-Y523 HydrophobicContact CZ-CE2 4.29Å; F64-Y523 HydrophobicContact CZ-CG 4.32Å; F512-Y523 HydrophobicContact CD1-CD2 4.48Å; F512-Y523 PolarHBondContact N-O 3.5Å; F512-Y523 PolarHBondContact O-N 3.33Å; A514-Y523 HydrophobicContact CB-CD2 4.19Å; A514-Y523 HydrophobicContact CB-CE2 3.9Å; K516-Y523 PolarHBondContact NZ-OH 2.94Å; H521-Y523 HydrophobicContact CB-CD2 4.37Å; H521-Y523 HydrophobicContact CB-CE2 3.69Å
524	T	89.5	Confident	86.2	Confident	77 Å²	77	55 Å²	55	47%	0.472	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	104.2	171.9	55.6	0	0	0	0	108.9
525	L	90.7	Very high	86.5	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.005	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	130.7	-176	-56.5	-179.4	0	0	0	111.1	T60 A72 F509 C510 F512	T60-L525 HydrophobicContact CG2-CD1 4.26Å; T60-L525 HydrophobicContact CG2-CD2 4.29Å; A72-L525 HydrophobicContact CB-CD1 3.79Å; F509-L525 CarbonylContact C-O 3.26Å; F509-L525 WeakPolarHBondContact CA-O 3.49Å; C510-L525 HydrophobicContact CB-CB 4.48Å; C510-L525 PolarHBondContact N-O 2.94Å; C510-L525 PolarHBondContact O-N 2.98Å; F512-L525 HydrophobicContact CB-CD1 4.12Å; F512-L525 HydrophobicContact CB-CG 4.47Å; F512-L525 HydrophobicContact CD1-CD1 4.45Å; F512-L525 HydrophobicContact CG-CD1 4.41Å
526	Q	92.4	Very high	86.7	Confident	86 Å²	86	48.7 Å²	48.7	40%	0.402	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	114.1	172.3	-178.2	176.3	-24.5	0	0	109.7	W59 V507 F509	W59-Q526 HydrophobicContact CB-CB 4.46Å; W59-Q526 PolarHBondContact N-O 2.71Å; V507-Q526 HydrophobicContact CG1-CG 3.58Å; F509-Q526 HydrophobicContact CD1-CB 4.34Å; F509-Q526 HydrophobicContact CE1-CB 4.2Å; F509-Q526 HydrophobicContact CE1-CG 4.2Å
527	C	93.9	Very high	87.1	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	122.8	-175.6	-60.1	0	0	0	0	112.3	I56 Q57 C58 T508	I56-C527 HydrophobicContact CD1-CB 3.71Å; I56-C527 HydrophobicContact CG1-CB 3.84Å; Q57-C527 CarbonylContact O-C 3.46Å; Q57-C527 WeakPolarHBondContact O-CA 3.45Å; C58-C527 HydrophobicContact CB-CB 4.12Å; C58-C527 WeakPolarHBondContact CB-SG 3.24Å; C58-C527 WeakPolarHBondContact SG-CB 3.35Å; C58-C527 CovalentContact SG-SG 2.05Å; C58-C527 PolarHBondContact SG-SG 3.26Å; T508-C527 PolarHBondContact N-O 3.27Å; T508-C527 WeakPolarHBondContact O-CA 3.47Å; T508-C527 PolarHBondContact O-N 3.02Å; T508-C527 VanDerWaalsContact O-O 3.08Å; T508-C527 PolarHBondContact OG1-O 2.93Å
528	V	93.2	Very high	87.7	Confident	50 Å²	50	41.8 Å²	41.8	30%	0.303	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	139.2	169.1	-176.3	0	0	0	0	108.7	I56 Q57 R506 P530	I56-V528 WeakPolarHBondContact CG1-O 3.45Å; Q57-V528 PolarHBondContact N-O 3.14Å; Q57-V528 PolarHBondContact O-N 2.89Å; R506-V528 WeakPolarHBondContact O-CA 3.39Å; V528-P530 HydrophobicContact CG1-CG 4.39Å; V528-P530 WeakPolarHBondContact O-CD 3.35Å
529	L	91	Very high	88.5	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.005	18%	0.18	C	C	.	.			trans	-123.1	73.2	-171.5	-168.5	67.6	0	0	0	111.7	I56 W77 Y142 R506 T508 I531 N532	I56-L529 HydrophobicContact CB-CD1 4.3Å; I56-L529 HydrophobicContact CD1-CD1 4.27Å; I56-L529 HydrophobicContact CG1-CD1 4.12Å; W77-L529 HydrophobicContact CE3-CD1 4.49Å; W77-L529 HydrophobicContact CZ3-CD1 4.05Å; Y142-L529 HydrophobicContact CD1-CD1 4.36Å; Y142-L529 HydrophobicContact CD1-CD2 3.52Å; Y142-L529 HydrophobicContact CD1-CG 4.49Å; Y142-L529 HydrophobicContact CD2-CD1 4.4Å; Y142-L529 HydrophobicContact CE1-CD1 4.21Å; Y142-L529 HydrophobicContact CE1-CD2 3.66Å; Y142-L529 HydrophobicContact CE2-CD1 4.27Å; Y142-L529 HydrophobicContact CG-CD1 4.45Å; Y142-L529 HydrophobicContact CG-CD2 4.19Å; R506-L529 PolarHBondContact O-N 2.95Å; T508-L529 HydrophobicContact CG2-CD2 4.35Å; L529-I531 HydrophobicContact CD1-CG2 3.85Å; L529-I531 HydrophobicContact CG-CG2 3.88Å; L529-I531 PolarHBondContact O-N 3.16Å; L529-I531 VanDerWaalsContact O-N 3.09Å; L529-N532 HydrophobicContact CD2-CB 4.06Å; L529-N532 HydrophobicContact CG-CB 4.22Å; L529-N532 WeakPolarHBondContact O-CB 3.42Å; L529-N532 PolarHBondContact O-N 2.83Å
530	P	90.3	Very high	88.7	Confident	42 Å²	42	33.4 Å²	33.4	27%	0.273	17%	0.168	S	C	.	.	H	α-helix	trans	-59.8	-26.8	-171.4	-25	34.8	0	0	0	114.6	V528 N532 M533 F534	V528-P530 HydrophobicContact CG1-CG 4.39Å; V528-P530 WeakPolarHBondContact O-CD 3.35Å; P530-N532 PolarHBondContact O-N 2.9Å; P530-M533 PolarHBondContact O-N 3.4Å; P530-F534 WeakPolarHBondContact O-CD2 3.44Å
531	I	89.5	Confident	89.2	Confident	7 Å²	7	36.6 Å²	36.6	4%	0.036	18%	0.179	C	C	.	.	H	α-helix	trans	-58.5	-32.5	174.9	-171.7	174	0	0	0	112.3	I46 Q50 W77 L529 M533 F534 L535	I46-I531 HydrophobicContact CG2-CD1 4.26Å; Q50-I531 HydrophobicContact CG-CD1 3.52Å; W77-I531 HydrophobicContact CH2-CD1 3.99Å; W77-I531 HydrophobicContact CH2-CG2 4.27Å; W77-I531 HydrophobicContact CZ3-CG2 4.09Å; L529-I531 HydrophobicContact CD1-CG2 3.85Å; L529-I531 HydrophobicContact CG-CG2 3.88Å; L529-I531 PolarHBondContact O-N 3.16Å; L529-I531 VanDerWaalsContact O-N 3.09Å; I531-M533 VanDerWaalsContact C-N 3.31Å; I531-M533 PolarHBondContact O-N 3.09Å; I531-F534 WeakPolarHBondContact O-CB 3.22Å; I531-F534 PolarHBondContact O-N 3.26Å; I531-L535 HydrophobicContact CG1-CD1 4.33Å; I531-L535 HydrophobicContact CG1-CG 4.26Å; I531-L535 PolarHBondContact O-N 3.15Å; I531-L535 VanDerWaalsContact O-N 3.09Å
532	N	89.2	Confident	89.7	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-67.7	-32.9	-172.9	-136.4	9.2	0	0	0	112.5	Y141 F504 P505 L529 P530 F534 L535 E536	Y141-N532 WeakPolarHBondContact CE2-OD1 3.43Å; Y141-N532 PolarHBondContact OH-ND2 3Å; Y141-N532 PolarHBondContact OH-OD1 3.25Å; Y141-N532 VanDerWaalsContact OH-OD1 3.08Å; F504-N532 VanDerWaalsContact C-ND2 3.34Å; F504-N532 WeakPolarHBondContact CD1-OD1 3.43Å; P505-N532 PolarHBondContact O-ND2 3.13Å; L529-N532 HydrophobicContact CD2-CB 4.06Å; L529-N532 HydrophobicContact CG-CB 4.22Å; L529-N532 WeakPolarHBondContact O-CB 3.42Å; L529-N532 PolarHBondContact O-N 2.83Å; P530-N532 PolarHBondContact O-N 2.9Å; N532-F534 PolarHBondContact O-N 3.47Å; N532-L535 PolarHBondContact O-N 2.81Å; N532-E536 WeakPolarHBondContact O-CB 3.36Å; N532-E536 PolarHBondContact O-N 3.16Å
533	M	87.3	Confident	90	Very high	99 Å²	99	32.6 Å²	32.6	49%	0.488	16%	0.162	S	C	.	.	H	α-helix	trans	-59.9	-31.1	172.3	-173	-174.8	-178.1	0	0	112.7	P530 I531	P530-M533 PolarHBondContact O-N 3.4Å; I531-M533 VanDerWaalsContact C-N 3.31Å; I531-M533 PolarHBondContact O-N 3.09Å
534	F	88.5	Confident	90.2	Very high	69 Å²	69	35.2 Å²	35.2	30%	0.303	18%	0.177	S	C	.	.	H	α-helix	trans	-81.1	-40.4	175	-67.5	-85.3	0	0	0	111.8	R49 P530 I531 N532 K537 I538	R49-F534 VanDerWaalsContact NH2-CZ 3.28Å; P530-F534 WeakPolarHBondContact O-CD2 3.44Å; I531-F534 WeakPolarHBondContact O-CB 3.22Å; I531-F534 PolarHBondContact O-N 3.26Å; N532-F534 PolarHBondContact O-N 3.47Å; F534-K537 PolarHBondContact O-N 3.3Å; F534-I538 WeakPolarHBondContact O-CB 3.29Å; F534-I538 WeakPolarHBondContact O-CG1 3.41Å; F534-I538 PolarHBondContact O-N 3.17Å
535	L	89.7	Confident	90.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-60.6	-45.5	176.6	-65.4	179.4	0	0	0	111.4	I46 Y141 A145 F504 I531 N532 K537 I538 Y539	I46-L535 HydrophobicContact CD1-CD2 3.78Å; I46-L535 HydrophobicContact CG1-CD2 4.22Å; I46-L535 HydrophobicContact CG2-CD2 4.47Å; Y141-L535 HydrophobicContact CD2-CD1 4.48Å; Y141-L535 HydrophobicContact CE2-CD1 4.24Å; A145-L535 HydrophobicContact CB-CD1 4.27Å; A145-L535 HydrophobicContact CB-CD2 3.66Å; F504-L535 HydrophobicContact CD1-CB 4.21Å; F504-L535 HydrophobicContact CE1-CB 3.92Å; I531-L535 HydrophobicContact CG1-CD1 4.33Å; I531-L535 HydrophobicContact CG1-CG 4.26Å; I531-L535 PolarHBondContact O-N 3.15Å; I531-L535 VanDerWaalsContact O-N 3.09Å; N532-L535 PolarHBondContact O-N 2.81Å; L535-K537 PolarHBondContact O-N 3.24Å; L535-I538 PolarHBondContact O-N 3.15Å; L535-Y539 HydrophobicContact CB-CD2 4.05Å; L535-Y539 HydrophobicContact CB-CE2 3.94Å; L535-Y539 HydrophobicContact CD2-CE2 3.99Å; L535-Y539 HydrophobicContact CG-CE2 4.41Å; L535-Y539 WeakPolarHBondContact O-CB 3.42Å; L535-Y539 WeakPolarHBondContact O-CD2 3.39Å; L535-Y539 PolarHBondContact O-N 3Å
536	E	86.8	Confident	90.6	Very high	17 Å²	17	34.2 Å²	34.2	8%	0.079	16%	0.164	C	C	.	.	H	α-helix	trans	-48.3	-55.8	174.8	-172.7	-155.3	133.4	0	0	111.4	F504 R506 N532 I540	F504-E536 HydrophobicContact CB-CB 3.97Å; F504-E536 HydrophobicContact CB-CG 4.05Å; F504-E536 HydrophobicContact CD1-CB 3.91Å; F504-E536 HydrophobicContact CG-CB 3.88Å; F504-E536 HydrophobicContact CG-CG 4.13Å; R506-E536 IonicContact CZ-OE2 3.6Å; R506-E536 IonicContact NE-OE2 3.7Å; R506-E536 IonicContact NH2-OE1 3.76Å; R506-E536 IonicContact NH2-OE2 2.71Å; R506-E536 PolarHBondContact NH2-OE2 3.04Å; N532-E536 WeakPolarHBondContact O-CB 3.36Å; N532-E536 PolarHBondContact O-N 3.16Å; E536-I540 HydrophobicContact CG-CD1 4.22Å; E536-I540 WeakPolarHBondContact O-CD1 3.37Å; E536-I540 VanDerWaalsContact O-CG1 3.25Å; E536-I540 WeakPolarHBondContact O-CG1 3.5Å; E536-I540 PolarHBondContact O-N 3.44Å; E536-I540 VanDerWaalsContact O-N 3.12Å
537	K	87.9	Confident	90.6	Very high	91 Å²	91	34.4 Å²	34.4	40%	0.396	16%	0.164	S	C	.	.	H	α-helix	trans	-72.5	-35.3	-177.1	-55.9	-48.5	-173.6	-169	0	113.1	F534 L535 I540 F541	F534-K537 PolarHBondContact O-N 3.3Å; L535-K537 PolarHBondContact O-N 3.24Å; K537-I540 HydrophobicContact CD-CD1 4.47Å; K537-F541 WeakPolarHBondContact O-CB 3.37Å; K537-F541 PolarHBondContact O-N 3.48Å; K537-F541 VanDerWaalsContact O-N 3.16Å
538	I	91.3	Very high	90.6	Very high	13 Å²	13	38.5 Å²	38.5	7%	0.067	19%	0.185	C	C	.	.	H	α-helix	trans	-65.4	-43.3	176.1	-70.7	169.9	0	0	0	110.6	F42 I46 F534 L535 F541 L542	F42-I538 HydrophobicContact CB-CG2 4.2Å; F42-I538 HydrophobicContact CD1-CB 4.49Å; F42-I538 HydrophobicContact CD1-CD1 3.92Å; F42-I538 HydrophobicContact CD1-CG1 3.81Å; F42-I538 HydrophobicContact CD1-CG2 3.91Å; F42-I538 HydrophobicContact CD2-CG2 4.06Å; F42-I538 HydrophobicContact CE1-CD1 4.48Å; F42-I538 HydrophobicContact CE1-CG1 3.93Å; F42-I538 HydrophobicContact CE1-CG2 4.29Å; F42-I538 HydrophobicContact CE2-CG2 4.4Å; F42-I538 HydrophobicContact CG-CG2 3.81Å; I46-I538 HydrophobicContact CD1-CD1 3.92Å; I46-I538 HydrophobicContact CG1-CD1 3.74Å; F534-I538 WeakPolarHBondContact O-CB 3.29Å; F534-I538 WeakPolarHBondContact O-CG1 3.41Å; F534-I538 PolarHBondContact O-N 3.17Å; L535-I538 PolarHBondContact O-N 3.15Å; I538-F541 PolarHBondContact O-N 3.36Å; I538-L542 HydrophobicContact CG2-CD1 3.78Å; I538-L542 HydrophobicContact CG2-CG 4.32Å; I538-L542 WeakPolarHBondContact O-CB 3.21Å; I538-L542 VanDerWaalsContact O-CG 3.32Å; I538-L542 WeakPolarHBondContact O-CG 3.37Å; I538-L542 PolarHBondContact O-N 2.82Å
539	Y	89.5	Confident	90.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-73.4	-35.9	-178.5	-72.2	-51.8	0	0	0	113.4	A145 L149 L473 Y476 F504 L535 F541 L542 W543	A145-Y539 WeakPolarHBondContact CB-OH 3.38Å; L149-Y539 HydrophobicContact CD2-CE1 4.17Å; L473-Y539 HydrophobicContact CD1-CD1 3.33Å; L473-Y539 HydrophobicContact CD1-CE1 3.92Å; L473-Y539 HydrophobicContact CD1-CG 3.83Å; Y476-Y539 HydrophobicContact CD1-CE2 4.39Å; Y476-Y539 HydrophobicContact CE1-CD2 4.5Å; Y476-Y539 HydrophobicContact CE1-CE1 4.37Å; Y476-Y539 AromaticContact CE1-CE2 3.58Å; Y476-Y539 HydrophobicContact CE1-CE2 3.58Å; Y476-Y539 AromaticContact CE1-CZ 3.5Å; Y476-Y539 VanDerWaalsContact CE1-OH 3.29Å; Y476-Y539 WeakPolarHBondContact CE1-OH 3.49Å; Y476-Y539 PolarHBondContact OH-OH 3.08Å; F504-Y539 AromaticContact CE1-CD2 3.79Å; F504-Y539 HydrophobicContact CE1-CD2 3.79Å; F504-Y539 HydrophobicContact CE1-CE2 4.38Å; F504-Y539 AromaticContact CZ-CD2 3.83Å; F504-Y539 HydrophobicContact CZ-CD2 3.83Å; L535-Y539 HydrophobicContact CB-CD2 4.05Å; L535-Y539 HydrophobicContact CB-CE2 3.94Å; L535-Y539 HydrophobicContact CD2-CE2 3.99Å; L535-Y539 HydrophobicContact CG-CE2 4.41Å; L535-Y539 WeakPolarHBondContact O-CB 3.42Å; L535-Y539 WeakPolarHBondContact O-CD2 3.39Å; L535-Y539 PolarHBondContact O-N 3Å; Y539-F541 VanDerWaalsContact C-N 3.34Å; Y539-F541 PolarHBondContact O-N 3.46Å; Y539-L542 HydrophobicContact CD1-CD1 4.08Å; Y539-L542 HydrophobicContact CE1-CD1 4.38Å; Y539-L542 PolarHBondContact O-N 2.92Å; Y539-W543 WeakPolarHBondContact O-CB 3.38Å; Y539-W543 PolarHBondContact O-N 2.92Å
540	I	87.3	Confident	91	Very high	15 Å²	15	36.7 Å²	36.7	8%	0.077	18%	0.178	C	C	.	.	H	α-helix	trans	-59.2	-46.7	170	-67.1	162.2	0	0	0	110.3	V488 L492 E536 K537 W543 L544	V488-I540 HydrophobicContact CG1-CD1 3.63Å; V488-I540 HydrophobicContact CG1-CG1 3.8Å; L492-I540 HydrophobicContact CD2-CD1 4.42Å; E536-I540 HydrophobicContact CG-CD1 4.22Å; E536-I540 WeakPolarHBondContact O-CD1 3.37Å; E536-I540 VanDerWaalsContact O-CG1 3.25Å; E536-I540 WeakPolarHBondContact O-CG1 3.5Å; E536-I540 PolarHBondContact O-N 3.44Å; E536-I540 VanDerWaalsContact O-N 3.12Å; K537-I540 HydrophobicContact CD-CD1 4.47Å; I540-W543 PolarHBondContact O-N 3.46Å; I540-L544 HydrophobicContact CG2-CD1 4.26Å; I540-L544 WeakPolarHBondContact O-CG 3.37Å; I540-L544 PolarHBondContact O-N 3.33Å; I540-L544 VanDerWaalsContact O-N 3.17Å
541	F	91.8	Very high	91.3	Very high	92 Å²	92	39.5 Å²	39.5	40%	0.404	19%	0.189	S	C	.	.	H	α-helix	trans	-63.9	-41.9	177	174.7	-92.6	0	0	0	112.5	L38 F42 K537 I538 Y539 L544 W545	L38-F541 HydrophobicContact CD1-CE1 3.95Å; L38-F541 HydrophobicContact CD1-CZ 4.27Å; L38-F541 HydrophobicContact CD2-CE1 4.31Å; L38-F541 HydrophobicContact CG-CE1 4.33Å; F42-F541 AromaticContact CE2-CD1 3.61Å; F42-F541 HydrophobicContact CE2-CD1 3.61Å; F42-F541 AromaticContact CE2-CE1 3.69Å; F42-F541 HydrophobicContact CE2-CE1 3.69Å; F42-F541 AromaticContact CZ-CD1 3.45Å; F42-F541 HydrophobicContact CZ-CD1 3.45Å; F42-F541 VanDerWaalsContact CZ-CD1 3.45Å; F42-F541 AromaticContact CZ-CE1 3.61Å; F42-F541 HydrophobicContact CZ-CE1 3.61Å; F42-F541 HydrophobicContact CZ-CG 4.42Å; K537-F541 WeakPolarHBondContact O-CB 3.37Å; K537-F541 PolarHBondContact O-N 3.48Å; K537-F541 VanDerWaalsContact O-N 3.16Å; I538-F541 PolarHBondContact O-N 3.36Å; Y539-F541 VanDerWaalsContact C-N 3.34Å; Y539-F541 PolarHBondContact O-N 3.46Å; F541-L544 PolarHBondContact O-N 3.03Å; F541-W545 WeakPolarHBondContact O-CB 3.32Å; F541-W545 PolarHBondContact O-N 3.19Å
542	L	93	Very high	91.6	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-65.3	-38.9	177.3	-77.3	172.3	0	0	0	112.6	L38 L39 F42 L149 I538 Y539 W545 F546	L38-L542 HydrophobicContact CD2-CD2 3.53Å; L39-L542 HydrophobicContact CD2-CD1 4.12Å; L39-L542 HydrophobicContact CD2-CD2 3.7Å; F42-L542 HydrophobicContact CD2-CD1 4.35Å; F42-L542 HydrophobicContact CD2-CD2 4Å; F42-L542 HydrophobicContact CD2-CG 4.24Å; F42-L542 HydrophobicContact CE2-CD2 3.94Å; F42-L542 HydrophobicContact CE2-CG 4.15Å; L149-L542 HydrophobicContact CD2-CD1 3.52Å; I538-L542 HydrophobicContact CG2-CD1 3.78Å; I538-L542 HydrophobicContact CG2-CG 4.32Å; I538-L542 WeakPolarHBondContact O-CB 3.21Å; I538-L542 VanDerWaalsContact O-CG 3.32Å; I538-L542 WeakPolarHBondContact O-CG 3.37Å; I538-L542 PolarHBondContact O-N 2.82Å; Y539-L542 HydrophobicContact CD1-CD1 4.08Å; Y539-L542 HydrophobicContact CE1-CD1 4.38Å; Y539-L542 PolarHBondContact O-N 2.92Å; L542-W545 PolarHBondContact O-N 3.41Å; L542-F546 HydrophobicContact CB-CE2 4.43Å; L542-F546 HydrophobicContact CB-CZ 4.41Å; L542-F546 HydrophobicContact CD2-CE1 4.11Å; L542-F546 HydrophobicContact CD2-CZ 4.1Å; L542-F546 WeakPolarHBondContact O-CB 3.34Å; L542-F546 WeakPolarHBondContact O-CG 3.48Å; L542-F546 PolarHBondContact O-N 3.24Å
543	W	90.9	Very high	91.9	Very high	7 Å²	7	41.8 Å²	41.8	3%	0.027	20%	0.203	C	C	.	.	H	α-helix	trans	-60.7	-49.1	174.7	-171.7	98.2	0	0	0	110.9	L473 E474 I486 Y539 I540 W545 F546 F547	L473-W543 HydrophobicContact CD2-CB 3.83Å; L473-W543 HydrophobicContact CD2-CG 4.44Å; E474-W543 PolarHBondContact OE1-NE1 3.25Å; I486-W543 HydrophobicContact CD1-CH2 3.81Å; I486-W543 HydrophobicContact CG1-CH2 3.59Å; I486-W543 HydrophobicContact CG1-CZ2 4.46Å; I486-W543 HydrophobicContact CG1-CZ3 3.96Å; Y539-W543 WeakPolarHBondContact O-CB 3.38Å; Y539-W543 PolarHBondContact O-N 2.92Å; I540-W543 PolarHBondContact O-N 3.46Å; W543-W545 VanDerWaalsContact C-N 3.34Å; W543-W545 PolarHBondContact O-N 3.36Å; W543-F546 PolarHBondContact O-N 3.17Å; W543-F547 HydrophobicContact CH2-CD2 4.23Å; W543-F547 HydrophobicContact CH2-CG 4.3Å; W543-F547 HydrophobicContact CZ3-CB 4.29Å; W543-F547 HydrophobicContact CZ3-CG 4.37Å; W543-F547 WeakPolarHBondContact O-CB 3.5Å; W543-F547 PolarHBondContact O-N 2.89Å
544	L	91.2	Very high	92.4	Very high	71 Å²	71	42.1 Å²	42.1	37%	0.372	20%	0.202	S	C	.	.	H	α-helix	trans	-61	-41.1	176.6	-70	168.4	0	0	0	112.1	I540 F541 L548	I540-L544 HydrophobicContact CG2-CD1 4.26Å; I540-L544 WeakPolarHBondContact O-CG 3.37Å; I540-L544 PolarHBondContact O-N 3.33Å; I540-L544 VanDerWaalsContact O-N 3.17Å; F541-L544 PolarHBondContact O-N 3.03Å; L544-L548 PolarHBondContact O-N 2.95Å; L544-L548 VanDerWaalsContact O-N 3.09Å
545	W	94.4	Very high	92.8	Very high	57 Å²	57	40.2 Å²	40.2	22%	0.216	20%	0.202	C	C	.	.	H	α-helix	trans	-65.3	-48.7	176.6	-179.7	-94.9	0	0	0	111.8	L30 F34 T35 L38 F541 L542 W543 F547 L548 V549	L30-W545 HydrophobicContact CD1-CH2 4.01Å; L30-W545 HydrophobicContact CD1-CZ2 3.81Å; F34-W545 HydrophobicContact CB-CZ2 4.45Å; T35-W545 PolarHBondContact OG1-NE1 3.42Å; L38-W545 HydrophobicContact CD1-CD2 3.7Å; L38-W545 HydrophobicContact CD1-CE3 4.07Å; L38-W545 HydrophobicContact CD1-CG 4.12Å; L38-W545 HydrophobicContact CD1-CH2 4.34Å; L38-W545 HydrophobicContact CD1-CZ2 3.99Å; L38-W545 HydrophobicContact CD1-CZ3 4.37Å; F541-W545 WeakPolarHBondContact O-CB 3.32Å; F541-W545 PolarHBondContact O-N 3.19Å; L542-W545 PolarHBondContact O-N 3.41Å; W543-W545 VanDerWaalsContact C-N 3.34Å; W543-W545 PolarHBondContact O-N 3.36Å; W545-F547 VanDerWaalsContact C-N 3.32Å; W545-F547 PolarHBondContact O-N 3.43Å; W545-L548 PolarHBondContact O-N 3.46Å; W545-V549 HydrophobicContact CD2-CG2 4.46Å; W545-V549 HydrophobicContact CZ2-CG2 4.33Å; W545-V549 VanDerWaalsContact O-CG2 3.29Å; W545-V549 WeakPolarHBondContact O-CG2 3.26Å; W545-V549 PolarHBondContact O-N 2.95Å
546	F	94.1	Very high	93	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-61.8	-39.5	177.7	-64.9	-16.8	0	0	0	111.9	T35 L39 F156 V466 Q469 I470 L542 W543 V549 G550	T35-F546 HydrophobicContact CG2-CD1 4.15Å; T35-F546 HydrophobicContact CG2-CE1 3.72Å; L39-F546 HydrophobicContact CD2-CZ 4.25Å; F156-F546 HydrophobicContact CE2-CD1 4.02Å; F156-F546 AromaticContact CE2-CE1 3.46Å; F156-F546 HydrophobicContact CE2-CE1 3.46Å; F156-F546 VanDerWaalsContact CE2-CE1 3.46Å; F156-F546 AromaticContact CE2-CZ 3.85Å; F156-F546 HydrophobicContact CE2-CZ 3.85Å; F156-F546 AromaticContact CZ-CD1 3.71Å; F156-F546 HydrophobicContact CZ-CD1 3.71Å; F156-F546 AromaticContact CZ-CE1 3.66Å; F156-F546 HydrophobicContact CZ-CE1 3.66Å; F156-F546 HydrophobicContact CZ-CG 4.46Å; F156-F546 HydrophobicContact CZ-CZ 4.34Å; V466-F546 WeakPolarHBondContact CG1-O 3.5Å; Q469-F546 HydrophobicContact CB-CD2 3.93Å; Q469-F546 HydrophobicContact CB-CE2 3.89Å; Q469-F546 HydrophobicContact CB-CZ 4.47Å; I470-F546 HydrophobicContact CD1-CB 4.39Å; I470-F546 HydrophobicContact CG1-CB 3.94Å; L542-F546 HydrophobicContact CB-CE2 4.43Å; L542-F546 HydrophobicContact CB-CZ 4.41Å; L542-F546 HydrophobicContact CD2-CE1 4.11Å; L542-F546 HydrophobicContact CD2-CZ 4.1Å; L542-F546 WeakPolarHBondContact O-CB 3.34Å; L542-F546 WeakPolarHBondContact O-CG 3.48Å; L542-F546 PolarHBondContact O-N 3.24Å; W543-F546 PolarHBondContact O-N 3.17Å; F546-V549 PolarHBondContact O-N 3.35Å; F546-G550 PolarHBondContact O-N 2.9Å
547	F	92.8	Very high	93.3	Very high	90 Å²	90	41 Å²	41	40%	0.395	21%	0.207	S	C	.	.	H	α-helix	trans	-60.2	-46.2	174.4	-175.6	-105.3	0	0	0	112.1	W543 W545 G550 I551	W543-F547 HydrophobicContact CH2-CD2 4.23Å; W543-F547 HydrophobicContact CH2-CG 4.3Å; W543-F547 HydrophobicContact CZ3-CB 4.29Å; W543-F547 HydrophobicContact CZ3-CG 4.37Å; W543-F547 WeakPolarHBondContact O-CB 3.5Å; W543-F547 PolarHBondContact O-N 2.89Å; W545-F547 VanDerWaalsContact C-N 3.32Å; W545-F547 PolarHBondContact O-N 3.43Å; F547-G550 WeakPolarHBondContact O-CA 3.44Å; F547-G550 PolarHBondContact O-N 3.19Å; F547-G550 VanDerWaalsContact O-N 3.15Å; F547-I551 HydrophobicContact CD1-CD1 4.03Å; F547-I551 HydrophobicContact CE1-CD1 3.62Å; F547-I551 HydrophobicContact CZ-CD1 4.06Å; F547-I551 PolarHBondContact O-N 3.19Å
548	L	94.3	Very high	93.7	Very high	86 Å²	86	39.2 Å²	39.2	45%	0.45	20%	0.201	S	C	.	.	H	α-helix	trans	-60.9	-46	174.7	-174	158.6	0	0	0	111.8	L544 W545 G550 I551 V552	L544-L548 PolarHBondContact O-N 2.95Å; L544-L548 VanDerWaalsContact O-N 3.09Å; W545-L548 PolarHBondContact O-N 3.46Å; L548-G550 PolarHBondContact O-N 2.96Å; L548-I551 PolarHBondContact O-N 2.9Å; L548-V552 HydrophobicContact CD2-CG2 4.11Å; L548-V552 WeakPolarHBondContact O-CG2 3.34Å; L548-V552 PolarHBondContact O-N 3.11Å
549	V	96.1	Very high	93.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62.5	-33.3	175.6	178.5	0	0	0	0	111.3	L30 N31 V466 W545 F546 V552 T553	L30-V549 HydrophobicContact CD2-CB 4.45Å; L30-V549 HydrophobicContact CD2-CG1 4.4Å; L30-V549 HydrophobicContact CD2-CG2 3.94Å; L30-V549 HydrophobicContact CG-CG1 4.45Å; L30-V549 HydrophobicContact CG-CG2 3.94Å; N31-V549 WeakPolarHBondContact ND2-CG1 3.04Å; V466-V549 HydrophobicContact CG2-CG1 3.97Å; W545-V549 HydrophobicContact CD2-CG2 4.46Å; W545-V549 HydrophobicContact CZ2-CG2 4.33Å; W545-V549 VanDerWaalsContact O-CG2 3.29Å; W545-V549 WeakPolarHBondContact O-CG2 3.26Å; W545-V549 PolarHBondContact O-N 2.95Å; F546-V549 PolarHBondContact O-N 3.35Å; V549-V552 PolarHBondContact O-N 3.29Å; V549-T553 HydrophobicContact CG1-CG2 4.26Å; V549-T553 WeakPolarHBondContact O-CB 3.34Å; V549-T553 WeakPolarHBondContact O-CG2 3.45Å; V549-T553 PolarHBondContact O-N 3.48Å; V549-T553 PolarHBondContact O-OG1 2.91Å
550	G	95.5	Very high	93.9	Very high	14 Å²	14	42.7 Å²	42.7	14%	0.144	22%	0.219	C	C	.	.	H	α-helix	trans	-61.5	-48.3	173	0	0	0	0	0	112.4	F546 F547 L548 V552 T553 F554	F546-G550 PolarHBondContact O-N 2.9Å; F547-G550 WeakPolarHBondContact O-CA 3.44Å; F547-G550 PolarHBondContact O-N 3.19Å; F547-G550 VanDerWaalsContact O-N 3.15Å; L548-G550 PolarHBondContact O-N 2.96Å; G550-V552 PolarHBondContact O-N 3.37Å; G550-T553 WeakPolarHBondContact CA-OG1 3.09Å; G550-T553 PolarHBondContact O-N 3.23Å; G550-T553 PolarHBondContact O-OG1 3.38Å; G550-F554 VanDerWaalsContact O-CB 3.25Å; G550-F554 WeakPolarHBondContact O-CB 3.44Å; G550-F554 PolarHBondContact O-N 2.96Å
551	I	96.1	Very high	94.2	Very high	101 Å²	101	46 Å²	46	52%	0.518	24%	0.235	S	C	.	.	H	α-helix	trans	-61	-46.3	175.9	-65.8	168.8	0	0	0	110.8	F547 L548 F554 G555	F547-I551 HydrophobicContact CD1-CD1 4.03Å; F547-I551 HydrophobicContact CE1-CD1 3.62Å; F547-I551 HydrophobicContact CZ-CD1 4.06Å; F547-I551 PolarHBondContact O-N 3.19Å; L548-I551 PolarHBondContact O-N 2.9Å; I551-F554 PolarHBondContact O-N 3.11Å; I551-G555 PolarHBondContact O-N 3.03Å
552	V	96.6	Very high	94.2	Very high	48 Å²	48	49.8 Å²	49.8	29%	0.291	25%	0.247	S	C	.	.	H	α-helix	trans	-66.8	-39.2	-179	174.7	0	0	0	0	112.1	A27 L30 L548 V549 G550 S556	A27-V552 HydrophobicContact CB-CG1 3.9Å; L30-V552 HydrophobicContact CD2-CB 3.95Å; L30-V552 HydrophobicContact CD2-CG1 3.76Å; L30-V552 HydrophobicContact CD2-CG2 4.24Å; L548-V552 HydrophobicContact CD2-CG2 4.11Å; L548-V552 WeakPolarHBondContact O-CG2 3.34Å; L548-V552 PolarHBondContact O-N 3.11Å; V549-V552 PolarHBondContact O-N 3.29Å; G550-V552 PolarHBondContact O-N 3.37Å; V552-S556 WeakPolarHBondContact O-CB 3.38Å; V552-S556 PolarHBondContact O-N 3.25Å
553	T	96.1	Very high	94.1	Very high	6 Å²	6	52.9 Å²	52.9	4%	0.037	26%	0.259	C	S	.	.	H	α-helix	trans	-69	-43.5	175.7	47.2	0	0	0	0	112.5	N31 V549 G550 S556 M557	N31-T553 WeakPolarHBondContact ND2-CG2 3.47Å; V549-T553 HydrophobicContact CG1-CG2 4.26Å; V549-T553 WeakPolarHBondContact O-CB 3.34Å; V549-T553 WeakPolarHBondContact O-CG2 3.45Å; V549-T553 PolarHBondContact O-N 3.48Å; V549-T553 PolarHBondContact O-OG1 2.91Å; G550-T553 WeakPolarHBondContact CA-OG1 3.09Å; G550-T553 PolarHBondContact O-N 3.23Å; G550-T553 PolarHBondContact O-OG1 3.38Å; T553-S556 PolarHBondContact O-N 3.01Å; T553-M557 WeakPolarHBondContact O-CB 3.12Å; T553-M557 PolarHBondContact O-N 3.38Å
554	F	96.7	Very high	93.9	Very high	107 Å²	107	53.8 Å²	53.8	47%	0.469	26%	0.264	S	S	.	.	H	α-helix	trans	-61.2	-45.5	175.9	-175.3	-111.8	0	0	0	111.6	L463 G550 I551 M557 I558	L463-F554 HydrophobicContact CD1-CB 4.18Å; L463-F554 HydrophobicContact CD1-CD2 4.49Å; L463-F554 HydrophobicContact CD2-CD2 3.95Å; G550-F554 VanDerWaalsContact O-CB 3.25Å; G550-F554 WeakPolarHBondContact O-CB 3.44Å; G550-F554 PolarHBondContact O-N 2.96Å; I551-F554 PolarHBondContact O-N 3.11Å; F554-M557 HydrophobicContact CD2-CE 4.01Å; F554-M557 HydrophobicContact CE2-CE 4.21Å; F554-M557 PolarHBondContact O-N 2.84Å; F554-I558 HydrophobicContact CD1-CD1 3.88Å; F554-I558 HydrophobicContact CE1-CD1 3.49Å; F554-I558 VanDerWaalsContact CE1-CD1 3.49Å; F554-I558 HydrophobicContact CE2-CD1 4.3Å; F554-I558 HydrophobicContact CG-CD1 4.44Å; F554-I558 HydrophobicContact CZ-CD1 3.73Å; F554-I558 WeakPolarHBondContact O-CG1 3.44Å; F554-I558 PolarHBondContact O-N 3.35Å
555	G	96.3	Very high	93.1	Very high	28 Å²	28	53.2 Å²	53.2	29%	0.289	28%	0.275	S	S	.	.	H	α-helix	trans	-59.3	-48.1	173.8	0	0	0	0	0	112.8	I551 M557 I558 I559	I551-G555 PolarHBondContact O-N 3.03Å; G555-M557 PolarHBondContact O-N 3.27Å; G555-I558 PolarHBondContact O-N 2.94Å; G555-I559 VanDerWaalsContact O-CG1 3.3Å; G555-I559 WeakPolarHBondContact O-CG1 3.28Å; G555-I559 PolarHBondContact O-N 3.11Å
556	S	94.5	Very high	92.6	Very high	8 Å²	8	53.7 Å²	53.7	6%	0.056	28%	0.284	C	S	.	.	H	α-helix	trans	-58.8	-44	174.3	170.7	0	0	0	0	112.1	D25 A27 K459 V552 T553 I558 I559 W560	D25-S556 PolarHBondContact OD2-OG 3.31Å; A27-S556 VanDerWaalsContact CB-CB 3.44Å; K459-S556 PolarHBondContact NZ-OG 3.4Å; V552-S556 WeakPolarHBondContact O-CB 3.38Å; V552-S556 PolarHBondContact O-N 3.25Å; T553-S556 PolarHBondContact O-N 3.01Å; S556-I558 PolarHBondContact O-N 3.36Å; S556-I559 PolarHBondContact O-N 3.5Å; S556-W560 VanDerWaalsContact O-CD1 3.25Å; S556-W560 PolarHBondContact O-N 2.91Å
557	M	93.9	Very high	92.3	Very high	27 Å²	27	59.3 Å²	59.3	13%	0.133	31%	0.305	C	S	.	.	H	α-helix	trans	-59.7	-45.9	177.2	-173.1	-178.2	69.8	0	0	111.4	M456 K459 L463 T553 F554 G555 I559 W560 I561	M456-M557 HydrophobicContact CE-CG 4.28Å; K459-M557 HydrophobicContact CB-CG 4.35Å; L463-M557 HydrophobicContact CD2-CE 3.52Å; L463-M557 HydrophobicContact CD2-SD 3.91Å; T553-M557 WeakPolarHBondContact O-CB 3.12Å; T553-M557 PolarHBondContact O-N 3.38Å; F554-M557 HydrophobicContact CD2-CE 4.01Å; F554-M557 HydrophobicContact CE2-CE 4.21Å; F554-M557 PolarHBondContact O-N 2.84Å; G555-M557 PolarHBondContact O-N 3.27Å; M557-I559 PolarHBondContact O-N 3.43Å; M557-W560 PolarHBondContact O-N 2.9Å; M557-I561 HydrophobicContact CE-CD1 4.48Å; M557-I561 HydrophobicContact CG-CD1 3.93Å; M557-I561 HydrophobicContact CG-CG1 4.49Å; M557-I561 VanDerWaalsContact O-CG1 3.26Å; M557-I561 WeakPolarHBondContact O-CG1 3.21Å; M557-I561 PolarHBondContact O-N 2.82Å
558	I	94.7	Very high	92.2	Very high	52 Å²	52	59.6 Å²	59.6	27%	0.267	32%	0.315	S	S	.	.	H	α-helix	trans	-62.1	-42.3	176.1	-70.2	170.1	0	0	0	111.4	F554 G555 S556 W560 I561 R562	F554-I558 HydrophobicContact CD1-CD1 3.88Å; F554-I558 HydrophobicContact CE1-CD1 3.49Å; F554-I558 VanDerWaalsContact CE1-CD1 3.49Å; F554-I558 HydrophobicContact CE2-CD1 4.3Å; F554-I558 HydrophobicContact CG-CD1 4.44Å; F554-I558 HydrophobicContact CZ-CD1 3.73Å; F554-I558 WeakPolarHBondContact O-CG1 3.44Å; F554-I558 PolarHBondContact O-N 3.35Å; G555-I558 PolarHBondContact O-N 2.94Å; S556-I558 PolarHBondContact O-N 3.36Å; I558-W560 PolarHBondContact O-N 3.42Å; I558-I561 PolarHBondContact O-N 3.4Å; I558-R562 HydrophobicContact CG2-CG 4.46Å; I558-R562 WeakPolarHBondContact O-CB 3.41Å; I558-R562 WeakPolarHBondContact O-CG 3.47Å; I558-R562 PolarHBondContact O-N 2.86Å
559	I	93.4	Very high	92	Very high	87 Å²	87	58.5 Å²	58.5	45%	0.446	31%	0.311	S	S	.	.	H	α-helix	trans	-60	-46.2	176.1	-70.4	163.5	0	0	0	110.5	G555 S556 M557 R562 R563	G555-I559 VanDerWaalsContact O-CG1 3.3Å; G555-I559 WeakPolarHBondContact O-CG1 3.28Å; G555-I559 PolarHBondContact O-N 3.11Å; S556-I559 PolarHBondContact O-N 3.5Å; M557-I559 PolarHBondContact O-N 3.43Å; I559-R562 PolarHBondContact O-N 2.91Å; I559-R563 WeakPolarHBondContact O-CB 3.37Å; I559-R563 PolarHBondContact O-N 3.08Å
560	W	93.1	Very high	91.8	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-69	-37.9	178.3	-80	103.2	0	0	0	113.3	D25 Y455 M456 S556 M557 I558 R563 I564 F605	D25-W560 PolarHBondContact OD2-NE1 3.09Å; Y455-W560 HydrophobicContact CD1-CD2 4.43Å; Y455-W560 HydrophobicContact CD1-CE3 4.5Å; Y455-W560 AromaticContact CE1-CD2 3.67Å; Y455-W560 HydrophobicContact CE1-CD2 3.67Å; Y455-W560 AromaticContact CE1-CE2 3.67Å; Y455-W560 HydrophobicContact CE1-CE3 4.08Å; Y455-W560 AromaticContact CE1-CG 3.96Å; Y455-W560 HydrophobicContact CE1-CG 3.96Å; Y455-W560 HydrophobicContact CE1-CH2 4.42Å; Y455-W560 HydrophobicContact CE1-CZ2 4.06Å; Y455-W560 HydrophobicContact CE1-CZ3 4.44Å; Y455-W560 AromaticContact CE1-NE1 3.99Å; M456-W560 HydrophobicContact SD-CB 4.17Å; S556-W560 VanDerWaalsContact O-CD1 3.25Å; S556-W560 PolarHBondContact O-N 2.91Å; M557-W560 PolarHBondContact O-N 2.9Å; I558-W560 PolarHBondContact O-N 3.42Å; W560-R563 PolarHBondContact O-N 2.89Å; W560-I564 HydrophobicContact CE3-CD1 3.86Å; W560-I564 HydrophobicContact CE3-CG1 4.19Å; W560-I564 VanDerWaalsContact O-CB 3.29Å; W560-I564 WeakPolarHBondContact O-CB 3.39Å; W560-I564 WeakPolarHBondContact O-CG1 3.35Å; W560-I564 PolarHBondContact O-N 3.03Å; W560-F605 HydrophobicContact CE3-CD2 4.44Å; W560-F605 HydrophobicContact CE3-CE2 4.16Å; W560-F605 HydrophobicContact CH2-CE2 4.06Å; W560-F605 AromaticContact CZ3-CD2 3.83Å; W560-F605 HydrophobicContact CZ3-CD2 3.83Å; W560-F605 AromaticContact CZ3-CE2 3.61Å; W560-F605 HydrophobicContact CZ3-CE2 3.61Å
561	I	92.5	Very high	91.6	Very high	83 Å²	83	60.5 Å²	60.5	43%	0.426	32%	0.316	S	S	.	.	H	α-helix	trans	-58.1	-51.8	171.4	-70.6	165.9	0	0	0	110.1	M456 M557 I558 R563 I564 G565	M456-I561 HydrophobicContact CE-CD1 4.29Å; M456-I561 HydrophobicContact CE-CG1 3.51Å; M557-I561 HydrophobicContact CE-CD1 4.48Å; M557-I561 HydrophobicContact CG-CD1 3.93Å; M557-I561 HydrophobicContact CG-CG1 4.49Å; M557-I561 VanDerWaalsContact O-CG1 3.26Å; M557-I561 WeakPolarHBondContact O-CG1 3.21Å; M557-I561 PolarHBondContact O-N 2.82Å; I558-I561 PolarHBondContact O-N 3.4Å; I561-R563 PolarHBondContact O-N 3.21Å; I561-I564 PolarHBondContact O-N 3.42Å; I561-G565 WeakPolarHBondContact O-CA 3.5Å; I561-G565 PolarHBondContact O-N 3.31Å
562	R	91.8	Very high	91.4	Very high	172 Å²	172	58.4 Å²	58.4	65%	0.649	31%	0.308	S	S	*	.	H	α-helix	trans	-61.9	-42.1	179.1	-73.7	176.7	175.8	169.5	0.3	112	I558 I559	I558-R562 HydrophobicContact CG2-CG 4.46Å; I558-R562 WeakPolarHBondContact O-CB 3.41Å; I558-R562 WeakPolarHBondContact O-CG 3.47Å; I558-R562 PolarHBondContact O-N 2.86Å; I559-R562 PolarHBondContact O-N 2.91Å
563	R	90.9	Very high	91.2	Very high	67 Å²	67	58 Å²	58	25%	0.253	30%	0.301	S	S	.	.	H	α-helix	trans	-63.3	-48.8	178.7	-171.4	-174.8	-75.7	173.2	-8.3	111.1	I559 W560 I561 R608	I559-R563 WeakPolarHBondContact O-CB 3.37Å; I559-R563 PolarHBondContact O-N 3.08Å; W560-R563 PolarHBondContact O-N 2.89Å; I561-R563 PolarHBondContact O-N 3.21Å; R563-R608 PolarHBondContact O-NH1 3.03Å; R563-R608 PolarHBondContact O-NH2 3.29Å
564	I	87.1	Confident	91	Very high	26 Å²	26	57.8 Å²	57.8	13%	0.133	30%	0.3	C	S	.	.	H	α-helix	trans	-81.4	-36.2	-174.2	-69.4	171.8	0	0	0	113.1	V452 M456 W560 I561 T566 F605	V452-I564 HydrophobicContact CG1-CD1 4.45Å; V452-I564 HydrophobicContact CG1-CG2 3.57Å; M456-I564 HydrophobicContact CG-CD1 4.34Å; M456-I564 HydrophobicContact SD-CD1 3.87Å; W560-I564 HydrophobicContact CE3-CD1 3.86Å; W560-I564 HydrophobicContact CE3-CG1 4.19Å; W560-I564 VanDerWaalsContact O-CB 3.29Å; W560-I564 WeakPolarHBondContact O-CB 3.39Å; W560-I564 WeakPolarHBondContact O-CG1 3.35Å; W560-I564 PolarHBondContact O-N 3.03Å; I561-I564 PolarHBondContact O-N 3.42Å; I564-T566 PolarHBondContact O-N 2.77Å; I564-F605 HydrophobicContact CD1-CD2 3.94Å; I564-F605 HydrophobicContact CD1-CE2 4.35Å
565	G	75.3	Confident	90.8	Very high	58 Å²	58	55.7 Å²	55.7	60%	0.598	29%	0.291	S	S	*	.	S	Bend	trans	-66.7	-31.3	-149.9	0	0	0	0	0	117.6	I561	I561-G565 WeakPolarHBondContact O-CA 3.5Å; I561-G565 PolarHBondContact O-N 3.31Å
566	T	82.4	Confident	90.5	Very high	68 Å²	68	59.5 Å²	59.5	42%	0.417	30%	0.302	S	S	.	.			trans	-115.3	145.2	-175.8	71.3	0	0	0	0	113.2	I564 T568 V569 R570	I564-T566 PolarHBondContact O-N 2.77Å; T566-T568 PolarHBondContact O-N 3.24Å; T566-V569 PolarHBondContact O-N 3.27Å; T566-V569 WeakPolarHBondContact OG1-CB 3.43Å; T566-V569 VanDerWaalsContact OG1-CG2 3.29Å; T566-V569 WeakPolarHBondContact OG1-CG2 3.37Å; T566-V569 PolarHBondContact OG1-N 3.12Å; T566-V569 VanDerWaalsContact OG1-N 3.09Å; T566-R570 PolarHBondContact O-N 3.48Å; T566-R570 VanDerWaalsContact O-N 3.09Å
567	R	89.1	Confident	90.3	Very high	117 Å²	117	59.9 Å²	59.9	44%	0.442	30%	0.303	S	S	.	.	H	α-helix	trans	-55.7	-39.6	171.2	-172	-174.5	-175.7	-130.6	0.5	110.9	R570 L571 E592 D596	R567-R570 WeakPolarHBondContact O-CB 3.47Å; R567-R570 PolarHBondContact O-N 2.86Å; R567-L571 HydrophobicContact CG-CD1 3.9Å; R567-L571 HydrophobicContact CG-CG 4.45Å; R567-L571 WeakPolarHBondContact O-CB 3.42Å; R567-L571 WeakPolarHBondContact O-CG 3.42Å; R567-L571 PolarHBondContact O-N 3.32Å; R567-E592 IonicContact CZ-OE2 2.98Å; R567-E592 VanDerWaalsContact CZ-OE2 3.3Å; R567-E592 IonicContact NH1-OE1 3.68Å; R567-E592 IonicContact NH1-OE2 3.58Å; R567-E592 PolarHBondContact NH1-OE2 2.58Å; R567-E592 VanDerWaalsContact NH1-OE2 3.11Å; R567-E592 IonicContact NH2-OE2 3.32Å; R567-E592 PolarHBondContact NH2-OE2 2.76Å; R567-D596 IonicContact CZ-OD2 3.41Å; R567-D596 IonicContact NE-OD1 3.22Å; R567-D596 IonicContact NE-OD2 3.76Å; R567-D596 PolarHBondContact NE-OD2 3.27Å; R567-D596 IonicContact NH2-OD2 3.04Å; R567-D596 PolarHBondContact NH2-OD2 2.91Å
568	T	89.6	Confident	90.2	Very high	97 Å²	97	58.6 Å²	58.6	60%	0.595	30%	0.296	S	S	*	.	H	α-helix	trans	-61.2	-55.3	178.4	-39.7	0	0	0	0	112	T566 R570 L571 T572	T566-T568 PolarHBondContact O-N 3.24Å; T568-R570 PolarHBondContact O-N 3.24Å; T568-L571 PolarHBondContact O-N 2.81Å; T568-L571 VanDerWaalsContact O-N 3.09Å; T568-T572 PolarHBondContact O-N 3.03Å; T568-T572 PolarHBondContact O-OG1 3.14Å; T568-T572 VanDerWaalsContact O-OG1 3.1Å
569	V	91.1	Very high	89.9	Confident	62 Å²	62	60.4 Å²	60.4	38%	0.376	31%	0.306	S	S	.	.	H	α-helix	trans	-64.1	-27.3	179.3	172.7	0	0	0	0	111.9	T566 W573 R608	T566-V569 PolarHBondContact O-N 3.27Å; T566-V569 WeakPolarHBondContact OG1-CB 3.43Å; T566-V569 VanDerWaalsContact OG1-CG2 3.29Å; T566-V569 WeakPolarHBondContact OG1-CG2 3.37Å; T566-V569 PolarHBondContact OG1-N 3.12Å; T566-V569 VanDerWaalsContact OG1-N 3.09Å; V569-W573 WeakPolarHBondContact O-CB 3.49Å; V569-W573 PolarHBondContact O-N 2.82Å; V569-R608 PolarHBondContact O-NH2 2.81Å
570	R	91.3	Very high	89.7	Confident	37 Å²	37	61.3 Å²	61.3	14%	0.14	32%	0.315	C	S	.	.	H	α-helix	trans	-67.7	-50	170.2	-173.9	171	65.3	-125.8	8.1	112.2	T566 R567 T568 I574 V595 D596 V604	T566-R570 PolarHBondContact O-N 3.48Å; T566-R570 VanDerWaalsContact O-N 3.09Å; R567-R570 WeakPolarHBondContact O-CB 3.47Å; R567-R570 PolarHBondContact O-N 2.86Å; T568-R570 PolarHBondContact O-N 3.24Å; R570-I574 WeakPolarHBondContact O-CG1 3.33Å; R570-I574 PolarHBondContact O-N 3.16Å; R570-V595 HydrophobicContact CG-CG1 3.94Å; R570-D596 IonicContact CZ-OD1 3.06Å; R570-D596 IonicContact NE-OD1 2.69Å; R570-D596 IonicContact NH2-OD1 3.7Å; R570-D596 PolarHBondContact NH2-OD1 2.03Å; R570-V604 HydrophobicContact CG-CB 3.91Å; R570-V604 HydrophobicContact CG-CG1 3.79Å; R570-V604 HydrophobicContact CG-CG2 3.74Å
571	L	91.3	Very high	89.3	Confident	20 Å²	20	63.3 Å²	63.3	11%	0.105	33%	0.325	C	S	.	.	H	α-helix	trans	-63.7	-50.6	179.8	-74	166.2	0	0	0	111.7	R567 T568 W573 I574 Q575 F591 E592 V595	R567-L571 HydrophobicContact CG-CD1 3.9Å; R567-L571 HydrophobicContact CG-CG 4.45Å; R567-L571 WeakPolarHBondContact O-CB 3.42Å; R567-L571 WeakPolarHBondContact O-CG 3.42Å; R567-L571 PolarHBondContact O-N 3.32Å; T568-L571 PolarHBondContact O-N 2.81Å; T568-L571 VanDerWaalsContact O-N 3.09Å; L571-W573 PolarHBondContact O-N 3.49Å; L571-I574 PolarHBondContact O-N 3.23Å; L571-Q575 WeakPolarHBondContact O-CB 3.41Å; L571-Q575 PolarHBondContact O-N 3.17Å; L571-F591 HydrophobicContact CB-CE1 4.25Å; L571-F591 HydrophobicContact CD2-CD1 4.01Å; L571-F591 HydrophobicContact CD2-CE1 3.73Å; L571-E592 HydrophobicContact CD1-CG 4.27Å; L571-E592 HydrophobicContact CD2-CG 4.15Å; L571-V595 HydrophobicContact CD2-CB 3.71Å; L571-V595 HydrophobicContact CD2-CG1 3.86Å; L571-V595 HydrophobicContact CD2-CG2 3.96Å; L571-V595 HydrophobicContact CG-CG1 4.49Å
572	T	91.4	Very high	88.8	Confident	57 Å²	57	70.3 Å²	70.3	35%	0.35	35%	0.347	S	S	.	.	H	α-helix	trans	-60.6	-41.8	-178.1	-56.1	0	0	0	0	112.3	T568 Q575 Q576	T568-T572 PolarHBondContact O-N 3.03Å; T568-T572 PolarHBondContact O-OG1 3.14Å; T568-T572 VanDerWaalsContact O-OG1 3.1Å; T572-Q575 PolarHBondContact O-N 3.5Å; T572-Q576 VanDerWaalsContact O-CG 3.28Å; T572-Q576 WeakPolarHBondContact O-CG 3.29Å; T572-Q576 PolarHBondContact O-N 2.98Å
573	W	92.5	Very high	88.1	Confident	40 Å²	40	65.3 Å²	65.3	15%	0.152	33%	0.331	C	S	.	.	H	α-helix	trans	-65.2	-45.1	177.8	-179.7	73.7	0	0	0	112.4	V569 L571 Q575 Q576 Q577 V604 L607 R608 A611 I623	V569-W573 WeakPolarHBondContact O-CB 3.49Å; V569-W573 PolarHBondContact O-N 2.82Å; L571-W573 PolarHBondContact O-N 3.49Å; W573-Q575 VanDerWaalsContact C-N 3.31Å; W573-Q575 PolarHBondContact O-N 3.34Å; W573-Q576 PolarHBondContact O-N 3.41Å; W573-Q577 HydrophobicContact CH2-CG 4.46Å; W573-Q577 HydrophobicContact CZ2-CG 4.17Å; W573-Q577 VanDerWaalsContact CZ2-NE2 3.27Å; W573-Q577 WeakPolarHBondContact O-CG 3.48Å; W573-Q577 PolarHBondContact O-N 3.44Å; W573-V604 HydrophobicContact CE3-CG1 3.93Å; W573-V604 HydrophobicContact CZ3-CG1 3.98Å; W573-L607 HydrophobicContact CH2-CB 4.32Å; W573-L607 HydrophobicContact CZ3-CB 4.31Å; W573-R608 HydrophobicContact CD2-CG 4.06Å; W573-R608 HydrophobicContact CE3-CG 3.73Å; W573-R608 VanDerWaalsContact CE3-NE 3.33Å; W573-R608 HydrophobicContact CH2-CB 4.38Å; W573-R608 HydrophobicContact CH2-CG 3.45Å; W573-R608 VanDerWaalsContact CH2-CG 3.45Å; W573-R608 HydrophobicContact CZ2-CG 3.76Å; W573-R608 HydrophobicContact CZ3-CG 3.43Å; W573-R608 VanDerWaalsContact CZ3-CG 3.43Å; W573-A611 HydrophobicContact CH2-CB 4.36Å; W573-A611 HydrophobicContact CZ2-CB 3.93Å; W573-I623 HydrophobicContact CH2-CD1 4.07Å; W573-I623 HydrophobicContact CZ3-CD1 4.11Å
574	I	92.5	Very high	87.4	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-61.2	-44.7	175	-64.4	-70.4	0	0	0	109.7	R570 L571 Q576 Q577 L578 F591 F594 V595 M599 V604 I623	R570-I574 WeakPolarHBondContact O-CG1 3.33Å; R570-I574 PolarHBondContact O-N 3.16Å; L571-I574 PolarHBondContact O-N 3.23Å; I574-Q576 VanDerWaalsContact C-N 3.31Å; I574-Q576 PolarHBondContact O-N 3.37Å; I574-Q577 WeakPolarHBondContact O-CB 2.79Å; I574-Q577 PolarHBondContact O-N 3.12Å; I574-Q577 VanDerWaalsContact O-N 3.09Å; I574-L578 HydrophobicContact CG2-CD1 3.55Å; I574-L578 WeakPolarHBondContact O-CD1 3.44Å; I574-L578 PolarHBondContact O-N 3.34Å; I574-F591 HydrophobicContact CB-CZ 3.99Å; I574-F591 HydrophobicContact CG2-CE2 3.78Å; I574-F591 HydrophobicContact CG2-CZ 3.73Å; I574-F594 HydrophobicContact CG2-CE1 4.48Å; I574-V595 HydrophobicContact CB-CG2 4.22Å; I574-V595 HydrophobicContact CG1-CG2 4.39Å; I574-V595 HydrophobicContact CG2-CG2 3.93Å; I574-M599 HydrophobicContact CD1-SD 4.11Å; I574-V604 HydrophobicContact CD1-CG1 3.98Å; I574-V604 HydrophobicContact CD1-CG2 4Å; I574-V604 HydrophobicContact CG1-CG1 4.13Å; I574-V604 HydrophobicContact CG1-CG2 4.02Å; I574-I623 HydrophobicContact CD1-CD1 3.93Å; I574-I623 HydrophobicContact CD1-CG1 4.45Å; I574-I623 HydrophobicContact CG2-CG2 4.2Å
575	Q	91.2	Very high	86.6	Confident	63 Å²	63	67.5 Å²	67.5	29%	0.294	34%	0.344	S	S	.	.	H	α-helix	trans	-59	-42	-180	-169.5	-172.8	-2.6	0	0	111.9	L571 T572 W573 Q577 L578 I579 Y584 F591	L571-Q575 WeakPolarHBondContact O-CB 3.41Å; L571-Q575 PolarHBondContact O-N 3.17Å; T572-Q575 PolarHBondContact O-N 3.5Å; W573-Q575 VanDerWaalsContact C-N 3.31Å; W573-Q575 PolarHBondContact O-N 3.34Å; Q575-Q577 PolarHBondContact O-N 3.43Å; Q575-L578 PolarHBondContact O-N 3.01Å; Q575-I579 HydrophobicContact CG-CD1 3.97Å; Q575-I579 VanDerWaalsContact O-CG1 3.26Å; Q575-I579 WeakPolarHBondContact O-CG1 3.43Å; Q575-I579 PolarHBondContact O-N 3.22Å; Q575-Y584 HydrophobicContact CG-CD2 4.3Å; Q575-Y584 HydrophobicContact CG-CE1 4.18Å; Q575-Y584 HydrophobicContact CG-CE2 3.92Å; Q575-F591 HydrophobicContact CB-CE1 4.06Å; Q575-F591 HydrophobicContact CB-CZ 3.75Å; Q575-F591 HydrophobicContact CG-CZ 4.48Å
576	Q	91.3	Very high	86.2	Confident	108 Å²	108	73.1 Å²	73.1	51%	0.505	35%	0.352	S	S	.	.	H	α-helix	trans	-59	-43.7	174.9	-75.3	166.3	-27.9	0	0	111.8	T572 W573 I574 I579 T580	T572-Q576 VanDerWaalsContact O-CG 3.28Å; T572-Q576 WeakPolarHBondContact O-CG 3.29Å; T572-Q576 PolarHBondContact O-N 2.98Å; W573-Q576 PolarHBondContact O-N 3.41Å; I574-Q576 VanDerWaalsContact C-N 3.31Å; I574-Q576 PolarHBondContact O-N 3.37Å; Q576-I579 PolarHBondContact O-N 2.96Å; Q576-T580 PolarHBondContact O-N 2.84Å; Q576-T580 PolarHBondContact O-OG1 3.31Å; Q576-T580 VanDerWaalsContact O-OG1 3.07Å
577	Q	90.8	Very high	85	Confident	16 Å²	16	78.1 Å²	78.1	8%	0.075	37%	0.368	C	S	.	.	H	α-helix	trans	-61.3	-46.9	177.7	-61.4	-66.5	1.6	0	0	112.4	W573 I574 Q575 I579 T580 I581 D616 I623	W573-Q577 HydrophobicContact CH2-CG 4.46Å; W573-Q577 HydrophobicContact CZ2-CG 4.17Å; W573-Q577 VanDerWaalsContact CZ2-NE2 3.27Å; W573-Q577 WeakPolarHBondContact O-CG 3.48Å; W573-Q577 PolarHBondContact O-N 3.44Å; I574-Q577 WeakPolarHBondContact O-CB 2.79Å; I574-Q577 PolarHBondContact O-N 3.12Å; I574-Q577 VanDerWaalsContact O-N 3.09Å; Q575-Q577 PolarHBondContact O-N 3.43Å; Q577-I579 VanDerWaalsContact C-N 3.28Å; Q577-I579 PolarHBondContact O-N 3.4Å; Q577-T580 WeakPolarHBondContact O-CB 3.27Å; Q577-T580 PolarHBondContact O-N 3.43Å; Q577-I581 WeakPolarHBondContact O-CD1 3.44Å; Q577-I581 WeakPolarHBondContact O-CG1 3.43Å; Q577-I581 PolarHBondContact O-N 3.04Å; Q577-D616 PolarHBondContact NE2-OD1 3Å; Q577-I623 HydrophobicContact CB-CD1 3.99Å; Q577-I623 HydrophobicContact CG-CD1 3.91Å
578	L	90	Very high	84	Confident	0 Å²	0	75.2 Å²	75.2	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-65	-32.1	178	-72.8	79.8	0	0	0	112.5	I574 Q575 R582 Q583 Y584 F591 I623 W627	I574-L578 HydrophobicContact CG2-CD1 3.55Å; I574-L578 WeakPolarHBondContact O-CD1 3.44Å; I574-L578 PolarHBondContact O-N 3.34Å; Q575-L578 PolarHBondContact O-N 3.01Å; L578-R582 PolarHBondContact O-N 3.09Å; L578-Q583 PolarHBondContact O-N 2.89Å; L578-Y584 HydrophobicContact CB-CD2 4.22Å; L578-Y584 HydrophobicContact CB-CG 4.45Å; L578-Y584 HydrophobicContact CD2-CD2 4.18Å; L578-Y584 PolarHBondContact O-N 3.45Å; L578-F591 HydrophobicContact CD1-CE2 4.27Å; L578-F591 HydrophobicContact CD2-CE2 4.4Å; L578-I623 HydrophobicContact CD1-CG2 3.31Å; L578-I623 HydrophobicContact CG-CG2 4.11Å; L578-W627 HydrophobicContact CD2-CB 4.02Å; L578-W627 VanDerWaalsContact CD2-CD1 3.45Å; L578-W627 HydrophobicContact CD2-CD2 3.53Å; L578-W627 VanDerWaalsContact CD2-CE2 3.46Å; L578-W627 HydrophobicContact CD2-CE3 4.32Å; L578-W627 HydrophobicContact CD2-CG 3.44Å; L578-W627 VanDerWaalsContact CD2-CG 3.44Å; L578-W627 HydrophobicContact CD2-CZ2 4.1Å
579	I	89.7	Confident	83	Confident	91 Å²	91	79.8 Å²	79.8	47%	0.467	37%	0.371	S	S	.	.	H	α-helix	trans	-66.5	-43.9	175.2	-72.3	167.6	0	0	0	110.7	Q575 Q576 Q577 I581 R582 Y584	Q575-I579 HydrophobicContact CG-CD1 3.97Å; Q575-I579 VanDerWaalsContact O-CG1 3.26Å; Q575-I579 WeakPolarHBondContact O-CG1 3.43Å; Q575-I579 PolarHBondContact O-N 3.22Å; Q576-I579 PolarHBondContact O-N 2.96Å; Q577-I579 VanDerWaalsContact C-N 3.28Å; Q577-I579 PolarHBondContact O-N 3.4Å; I579-I581 VanDerWaalsContact C-N 3.27Å; I579-I581 PolarHBondContact O-N 2.86Å; I579-R582 PolarHBondContact O-N 3.29Å; I579-Y584 HydrophobicContact CD1-CD1 4.26Å; I579-Y584 HydrophobicContact CG1-CD1 3.9Å; I579-Y584 HydrophobicContact CG1-CG 4.01Å
580	T	88.4	Confident	82.5	Confident	106 Å²	106	77.2 Å²	77.2	65%	0.65	36%	0.357	S	S	*	.	H	α-helix	trans	-55.8	-41.5	177.1	-58.8	0	0	0	0	112.1	Q576 Q577 R582	Q576-T580 PolarHBondContact O-N 2.84Å; Q576-T580 PolarHBondContact O-OG1 3.31Å; Q576-T580 VanDerWaalsContact O-OG1 3.07Å; Q577-T580 WeakPolarHBondContact O-CB 3.27Å; Q577-T580 PolarHBondContact O-N 3.43Å; T580-R582 VanDerWaalsContact C-N 3.27Å; T580-R582 PolarHBondContact O-N 3.16Å
581	I	85.1	Confident	82.4	Confident	41 Å²	41	76.2 Å²	76.2	21%	0.21	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-2.6	-178.6	-47.1	148.2	0	0	0	111.7	Q577 I579 Q583 G620	Q577-I581 WeakPolarHBondContact O-CD1 3.44Å; Q577-I581 WeakPolarHBondContact O-CG1 3.43Å; Q577-I581 PolarHBondContact O-N 3.04Å; I579-I581 VanDerWaalsContact C-N 3.27Å; I579-I581 PolarHBondContact O-N 2.86Å; I581-Q583 VanDerWaalsContact C-N 3.27Å; I581-Q583 HydrophobicContact CG2-CG 4.11Å; I581-Q583 PolarHBondContact O-N 3.38Å; I581-G620 WeakPolarHBondContact CD1-O 3.17Å
582	R	82.9	Confident	82.2	Confident	231 Å²	231	80 Å²	80	87%	0.872	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.2	28.1	-177.3	-49	178	-179.7	177.9	0.2	114.3	L578 I579 T580	L578-R582 PolarHBondContact O-N 3.09Å; I579-R582 PolarHBondContact O-N 3.29Å; T580-R582 VanDerWaalsContact C-N 3.27Å; T580-R582 PolarHBondContact O-N 3.16Å
583	Q	77.2	Confident	81.9	Confident	67 Å²	67	81.8 Å²	81.8	31%	0.313	38%	0.375	S	S	.	.			trans	-102.7	9.9	177.6	-67.5	-174.9	6.1	0	0	113.7	L578 I581 G624 W627	L578-Q583 PolarHBondContact O-N 2.89Å; I581-Q583 VanDerWaalsContact C-N 3.27Å; I581-Q583 HydrophobicContact CG2-CG 4.11Å; I581-Q583 PolarHBondContact O-N 3.38Å; Q583-G624 VanDerWaalsContact OE1-C 3.31Å; Q583-G624 PolarHBondContact OE1-O 3.17Å; Q583-W627 PolarHBondContact O-NE1 2.97Å
584	Y	75.4	Confident	81.8	Confident	55 Å²	55	79.9 Å²	79.9	22%	0.216	37%	0.368	C	S	.	.			trans	-103.4	114.7	177.9	-170.3	-98.6	0	0	0	112.1	Q575 L578 I579 F591	Q575-Y584 HydrophobicContact CG-CD2 4.3Å; Q575-Y584 HydrophobicContact CG-CE1 4.18Å; Q575-Y584 HydrophobicContact CG-CE2 3.92Å; L578-Y584 HydrophobicContact CB-CD2 4.22Å; L578-Y584 HydrophobicContact CB-CG 4.45Å; L578-Y584 HydrophobicContact CD2-CD2 4.18Å; L578-Y584 PolarHBondContact O-N 3.45Å; I579-Y584 HydrophobicContact CD1-CD1 4.26Å; I579-Y584 HydrophobicContact CG1-CD1 3.9Å; I579-Y584 HydrophobicContact CG1-CG 4.01Å; Y584-F591 AromaticContact CE2-CD2 3.9Å; Y584-F591 HydrophobicContact CE2-CD2 3.9Å; Y584-F591 HydrophobicContact CE2-CE2 4.26Å; Y584-F591 HydrophobicContact CE2-CG 4.18Å
585	D	71	Confident	81.7	Confident	84 Å²	84	79.9 Å²	79.9	45%	0.449	37%	0.368	S	S	.	.			trans	-92.7	137.6	161	-177.2	14	0	0	0	110.4	F587 E588	D585-F587 VanDerWaalsContact C-N 3.27Å; D585-F587 PolarHBondContact O-N 2.99Å; D585-F587 PolarHBondContact OD1-N 3.47Å; D585-E588 HydrophobicContact CB-CG 4.26Å
586	K	65.7	Low	81.5	Confident	176 Å²	176	78 Å²	78	77%	0.765	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-21.1	-176.8	-164.5	179.5	-177.7	-174.5	0	113.1
587	F	58.1	Low	81.1	Confident	173 Å²	173	77.1 Å²	77.1	76%	0.759	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-3.2	-177.8	-71.2	-82.8	0	0	0	114.6	D585 K589	D585-F587 VanDerWaalsContact C-N 3.27Å; D585-F587 PolarHBondContact O-N 2.99Å; D585-F587 PolarHBondContact OD1-N 3.47Å; F587-K589 PolarHBondContact O-N 2.76Å
588	E	66.6	Low	80.9	Confident	55 Å²	55	76.3 Å²	76.3	26%	0.257	36%	0.355	S	S	.	.			trans	-74.9	91.4	-169.1	-88.8	-163.9	151	0	0	114.7	D585 G590 W627 W631	D585-E588 HydrophobicContact CB-CG 4.26Å; E588-G590 PolarHBondContact O-N 2.79Å; E588-W627 WeakPolarHBondContact OE2-CZ2 3.39Å; E588-W631 HydrophobicContact CB-CH2 4.39Å; E588-W631 HydrophobicContact CB-CZ2 3.76Å; E588-W631 VanDerWaalsContact CD-CE2 3.4Å; E588-W631 HydrophobicContact CG-CH2 4.15Å; E588-W631 HydrophobicContact CG-CZ2 3.68Å; E588-W631 VanDerWaalsContact OE1-CE2 3.27Å; E588-W631 WeakPolarHBondContact OE1-CZ2 3.47Å; E588-W631 PolarHBondContact OE1-NE1 2.71Å; E588-W631 PolarHBondContact OE2-NE1 3.39Å
589	K	70.6	Confident	80.8	Confident	194 Å²	194	76.5 Å²	76.5	84%	0.843	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	70.7	172.5	-66.3	-177.3	-179.5	178	0	112.5	F587 R634	F587-K589 PolarHBondContact O-N 2.76Å; K589-R634 VanDerWaalsContact O-CZ 3.3Å; K589-R634 PolarHBondContact O-NH1 3.3Å; K589-R634 PolarHBondContact O-NH2 3.04Å
590	G	80.1	Confident	80.7	Confident	7 Å²	7	72.2 Å²	72.2	7%	0.072	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-171.1	-18.2	-177.4	0	0	0	0	0	116	E588 E592 Q593 F594	E588-G590 PolarHBondContact O-N 2.79Å; G590-E592 PolarHBondContact O-N 3.47Å; G590-Q593 WeakPolarHBondContact O-CB 3.44Å; G590-Q593 PolarHBondContact O-N 2.91Å; G590-F594 PolarHBondContact O-N 3.23Å
591	F	88.1	Confident	80.7	Confident	17 Å²	17	68 Å²	68	8%	0.075	31%	0.309	C	S	.	.	H	α-helix	trans	-54.3	-48.9	-172.7	-176.5	-105.2	0	0	0	114.9	L571 I574 Q575 L578 Y584 Q593 F594 V595 W627	L571-F591 HydrophobicContact CB-CE1 4.25Å; L571-F591 HydrophobicContact CD2-CD1 4.01Å; L571-F591 HydrophobicContact CD2-CE1 3.73Å; I574-F591 HydrophobicContact CB-CZ 3.99Å; I574-F591 HydrophobicContact CG2-CE2 3.78Å; I574-F591 HydrophobicContact CG2-CZ 3.73Å; Q575-F591 HydrophobicContact CB-CE1 4.06Å; Q575-F591 HydrophobicContact CB-CZ 3.75Å; Q575-F591 HydrophobicContact CG-CZ 4.48Å; L578-F591 HydrophobicContact CD1-CE2 4.27Å; L578-F591 HydrophobicContact CD2-CE2 4.4Å; Y584-F591 AromaticContact CE2-CD2 3.9Å; Y584-F591 HydrophobicContact CE2-CD2 3.9Å; Y584-F591 HydrophobicContact CE2-CE2 4.26Å; Y584-F591 HydrophobicContact CE2-CG 4.18Å; F591-Q593 VanDerWaalsContact C-N 3.26Å; F591-Q593 PolarHBondContact O-N 2.86Å; F591-F594 WeakPolarHBondContact O-CB 3.35Å; F591-F594 PolarHBondContact O-N 3.39Å; F591-F594 VanDerWaalsContact O-N 3.13Å; F591-V595 HydrophobicContact CE1-CG2 4.06Å; F591-V595 HydrophobicContact CE2-CG2 4.07Å; F591-V595 HydrophobicContact CZ-CG2 3.79Å; F591-V595 PolarHBondContact O-N 3Å; F591-V595 VanDerWaalsContact O-N 3.08Å; F591-W627 HydrophobicContact CB-CH2 3.89Å; F591-W627 AromaticContact CD2-CH2 3.72Å; F591-W627 HydrophobicContact CD2-CH2 3.72Å; F591-W627 HydrophobicContact CD2-CZ2 4.23Å; F591-W627 HydrophobicContact CD2-CZ3 4.03Å; F591-W627 HydrophobicContact CG-CH2 4.31Å
592	E	87.4	Confident	81	Confident	98 Å²	98	66.2 Å²	66.2	46%	0.458	30%	0.299	S	S	.	.	H	α-helix	trans	-60.3	-36	177.1	-65.5	-168.2	-176.2	0	0	112.7	R567 L571 G590 F594 V595 D596	R567-E592 IonicContact CZ-OE2 2.98Å; R567-E592 VanDerWaalsContact CZ-OE2 3.3Å; R567-E592 IonicContact NH1-OE1 3.68Å; R567-E592 IonicContact NH1-OE2 3.58Å; R567-E592 PolarHBondContact NH1-OE2 2.58Å; R567-E592 VanDerWaalsContact NH1-OE2 3.11Å; R567-E592 IonicContact NH2-OE2 3.32Å; R567-E592 PolarHBondContact NH2-OE2 2.76Å; L571-E592 HydrophobicContact CD1-CG 4.27Å; L571-E592 HydrophobicContact CD2-CG 4.15Å; G590-E592 PolarHBondContact O-N 3.47Å; E592-F594 VanDerWaalsContact C-N 3.32Å; E592-F594 PolarHBondContact O-N 2.99Å; E592-V595 PolarHBondContact O-N 3Å; E592-D596 WeakPolarHBondContact O-CB 3Å; E592-D596 PolarHBondContact O-N 3.32Å
593	Q	86.2	Confident	81.4	Confident	95 Å²	95	55.2 Å²	55.2	44%	0.444	26%	0.258	S	S	.	.	I	π-helix	trans	-69.8	-30.7	179.4	-61.3	179.9	-8.6	0	0	111.9	G590 F591 N597 H598 Y630 R634	G590-Q593 WeakPolarHBondContact O-CB 3.44Å; G590-Q593 PolarHBondContact O-N 2.91Å; F591-Q593 VanDerWaalsContact C-N 3.26Å; F591-Q593 PolarHBondContact O-N 2.86Å; Q593-N597 VanDerWaalsContact O-CB 3.31Å; Q593-N597 WeakPolarHBondContact O-CB 3.34Å; Q593-N597 PolarHBondContact O-N 2.91Å; Q593-N597 VanDerWaalsContact O-N 3.13Å; Q593-H598 PolarHBondContact O-N 3.08Å; Q593-Y630 WeakPolarHBondContact CB-OH 2.99Å; Q593-R634 VanDerWaalsContact OE1-NH2 3.17Å
594	F	89.8	Confident	82.1	Confident	0 Å²	0	52 Å²	52	0%	0	24%	0.243	C	C	.	.	I	π-helix	trans	-68	-53.5	171.5	170.3	-113.9	0	0	0	111.3	I574 G590 F591 E592 D596 H598 M599 L626 W627 Y630	I574-F594 HydrophobicContact CG2-CE1 4.48Å; G590-F594 PolarHBondContact O-N 3.23Å; F591-F594 WeakPolarHBondContact O-CB 3.35Å; F591-F594 PolarHBondContact O-N 3.39Å; F591-F594 VanDerWaalsContact O-N 3.13Å; E592-F594 VanDerWaalsContact C-N 3.32Å; E592-F594 PolarHBondContact O-N 2.99Å; F594-D596 PolarHBondContact O-N 3.16Å; F594-H598 AromaticContact CD2-CD2 3.52Å; F594-H598 AromaticContact CE2-CD2 3.58Å; F594-H598 WeakPolarHBondContact O-CB 3.24Å; F594-H598 PolarHBondContact O-N 2.84Å; F594-M599 HydrophobicContact CE1-CE 3.69Å; F594-M599 HydrophobicContact CE2-CE 4.11Å; F594-M599 HydrophobicContact CZ-CE 3.45Å; F594-M599 VanDerWaalsContact CZ-CE 3.45Å; F594-M599 WeakPolarHBondContact O-CB 3.4Å; F594-M599 PolarHBondContact O-N 3.36Å; F594-L626 HydrophobicContact CE2-CB 4.34Å; F594-L626 HydrophobicContact CZ-CB 4.07Å; F594-W627 HydrophobicContact CB-CE3 4.05Å; F594-W627 HydrophobicContact CB-CZ3 3.62Å; F594-W627 AromaticContact CD1-CE3 3.47Å; F594-W627 HydrophobicContact CD1-CE3 3.47Å; F594-W627 VanDerWaalsContact CD1-CE3 3.47Å; F594-W627 AromaticContact CD1-CZ3 3.7Å; F594-W627 HydrophobicContact CD1-CZ3 3.7Å; F594-W627 HydrophobicContact CD2-CE3 4.06Å; F594-W627 HydrophobicContact CD2-CZ3 4.5Å; F594-W627 HydrophobicContact CE1-CB 4.46Å; F594-W627 AromaticContact CE1-CE3 3.77Å; F594-W627 HydrophobicContact CE1-CE3 3.77Å; F594-W627 HydrophobicContact CE1-CZ3 4.43Å; F594-W627 HydrophobicContact CE2-CE3 4.32Å; F594-W627 AromaticContact CG-CE3 3.62Å; F594-W627 HydrophobicContact CG-CE3 3.62Å; F594-W627 AromaticContact CG-CZ3 3.73Å; F594-W627 HydrophobicContact CG-CZ3 3.73Å; F594-W627 HydrophobicContact CZ-CB 4.16Å; F594-W627 HydrophobicContact CZ-CE3 4.17Å; F594-Y630 HydrophobicContact CB-CD1 3.93Å; F594-Y630 HydrophobicContact CB-CE1 3.74Å; F594-Y630 HydrophobicContact CB-CE2 4.39Å; F594-Y630 HydrophobicContact CB-CG 4.33Å; F594-Y630 AromaticContact CD2-CD1 3.84Å; F594-Y630 HydrophobicContact CD2-CD1 3.84Å; F594-Y630 AromaticContact CD2-CD2 3.86Å; F594-Y630 HydrophobicContact CD2-CD2 3.86Å; F594-Y630 HydrophobicContact CD2-CE1 4.45Å; F594-Y630 HydrophobicContact CD2-CE2 4.46Å; F594-Y630 AromaticContact CD2-CG 3.51Å; F594-Y630 HydrophobicContact CD2-CG 3.51Å; F594-Y630 HydrophobicContact CE2-CG 4.22Å; F594-Y630 HydrophobicContact CG-CD1 4.22Å; F594-Y630 HydrophobicContact CG-CG 4.32Å
595	V	90.1	Very high	83	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	23%	0.234	C	C	.	.	I	π-helix	trans	-66.4	-40.6	-175.5	178	0	0	0	0	112.3	R570 L571 I574 F591 E592 G600 V604	R570-V595 HydrophobicContact CG-CG1 3.94Å; L571-V595 HydrophobicContact CD2-CB 3.71Å; L571-V595 HydrophobicContact CD2-CG1 3.86Å; L571-V595 HydrophobicContact CD2-CG2 3.96Å; L571-V595 HydrophobicContact CG-CG1 4.49Å; I574-V595 HydrophobicContact CB-CG2 4.22Å; I574-V595 HydrophobicContact CG1-CG2 4.39Å; I574-V595 HydrophobicContact CG2-CG2 3.93Å; F591-V595 HydrophobicContact CE1-CG2 4.06Å; F591-V595 HydrophobicContact CE2-CG2 4.07Å; F591-V595 HydrophobicContact CZ-CG2 3.79Å; F591-V595 PolarHBondContact O-N 3Å; F591-V595 VanDerWaalsContact O-N 3.08Å; E592-V595 PolarHBondContact O-N 3Å; V595-G600 WeakPolarHBondContact O-CA 3.23Å; V595-G600 PolarHBondContact O-N 3.1Å; V595-V604 HydrophobicContact CG1-CG2 4.19Å
596	D	86.6	Confident	84	Confident	25 Å²	25	45.6 Å²	45.6	13%	0.134	21%	0.212	C	C	.	.	I	π-helix	trans	-92.3	-49.2	-174.9	-63.1	-40	0	0	0	113.5	R258 R567 R570 E592 F594 G600	R258-D596 PolarHBondContact NH1-O 3.24Å; R567-D596 IonicContact CZ-OD2 3.41Å; R567-D596 IonicContact NE-OD1 3.22Å; R567-D596 IonicContact NE-OD2 3.76Å; R567-D596 PolarHBondContact NE-OD2 3.27Å; R567-D596 IonicContact NH2-OD2 3.04Å; R567-D596 PolarHBondContact NH2-OD2 2.91Å; R570-D596 IonicContact CZ-OD1 3.06Å; R570-D596 IonicContact NE-OD1 2.69Å; R570-D596 IonicContact NH2-OD1 3.7Å; R570-D596 PolarHBondContact NH2-OD1 2.03Å; E592-D596 WeakPolarHBondContact O-CB 3Å; E592-D596 PolarHBondContact O-N 3.32Å; F594-D596 PolarHBondContact O-N 3.16Å; D596-G600 WeakPolarHBondContact O-CA 3.19Å
597	N	83.8	Confident	85.4	Confident	88 Å²	88	37.2 Å²	37.2	47%	0.471	18%	0.176	S	C	.	.	I	π-helix	trans	-90.4	-30.7	-170.9	-65.7	-52.9	0	0	0	113.9	R255 Q593	R255-N597 WeakPolarHBondContact CD-O 3.38Å; R255-N597 WeakPolarHBondContact CG-O 3.26Å; R255-N597 PolarHBondContact NE-O 3.33Å; Q593-N597 VanDerWaalsContact O-CB 3.31Å; Q593-N597 WeakPolarHBondContact O-CB 3.34Å; Q593-N597 PolarHBondContact O-N 2.91Å; Q593-N597 VanDerWaalsContact O-N 3.13Å
598	H	86.7	Confident	87.1	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.142	C	C	.	.	I	π-helix	trans	-86.3	-69.8	172.8	166.3	73.9	0	0	0	109.6	D248 F251 M252 R258 Q593 F594 Y630	D248-H598 IonicContact OD1-CE1 3.1Å; D248-H598 PolarHBondContact OD1-CE1 3.22Å; F251-H598 AromaticContact CD2-NE2 3.65Å; M252-H598 WeakPolarHBondContact CE-ND1 3.43Å; R258-H598 PolarHBondContact NH2-O 3Å; Q593-H598 PolarHBondContact O-N 3.08Å; F594-H598 AromaticContact CD2-CD2 3.52Å; F594-H598 AromaticContact CE2-CD2 3.58Å; F594-H598 WeakPolarHBondContact O-CB 3.24Å; F594-H598 PolarHBondContact O-N 2.84Å; H598-Y630 HydrophobicContact CB-CD2 4.03Å; H598-Y630 HydrophobicContact CB-CE2 3.92Å; H598-Y630 AromaticContact CG-CD2 4Å
599	M	88.5	Confident	88.3	Confident	3 Å²	3	27 Å²	27	2%	0.015	13%	0.13	C	C	.	.	I	π-helix	trans	-72	-51.8	-171.6	-171.3	179	-70.3	0	0	113.3	F251 I574 F594 V604 L607 L626	F251-M599 HydrophobicContact CD2-CB 4.49Å; F251-M599 HydrophobicContact CD2-CG 4.31Å; F251-M599 HydrophobicContact CE2-CE 4.37Å; F251-M599 HydrophobicContact CE2-CG 3.92Å; F251-M599 HydrophobicContact CZ-CG 4.09Å; I574-M599 HydrophobicContact CD1-SD 4.11Å; F594-M599 HydrophobicContact CE1-CE 3.69Å; F594-M599 HydrophobicContact CE2-CE 4.11Å; F594-M599 HydrophobicContact CZ-CE 3.45Å; F594-M599 VanDerWaalsContact CZ-CE 3.45Å; F594-M599 WeakPolarHBondContact O-CB 3.4Å; F594-M599 PolarHBondContact O-N 3.36Å; M599-V604 HydrophobicContact CG-CG2 4Å; M599-V604 HydrophobicContact SD-CB 4.48Å; M599-V604 HydrophobicContact SD-CG2 3.41Å; M599-V604 WeakPolarHBondContact SD-CG2 3.31Å; M599-L607 HydrophobicContact CE-CD1 3.57Å; M599-L607 HydrophobicContact CG-CD1 4.3Å; M599-L607 HydrophobicContact SD-CD1 3.39Å; M599-L607 WeakPolarHBondContact SD-CD1 3.36Å; M599-L626 HydrophobicContact CE-CD1 4.31Å
600	G	86.9	Confident	89.4	Confident	1 Å²	1	17.7 Å²	17.7	1%	0.01	9%	0.09	C	C	.	.	H	α-helix	trans	72	176.4	-179.1	0	0	0	0	0	114.5	V595 D596 G603 V604	V595-G600 WeakPolarHBondContact O-CA 3.23Å; V595-G600 PolarHBondContact O-N 3.1Å; D596-G600 WeakPolarHBondContact O-CA 3.19Å; G600-G603 PolarHBondContact O-N 2.05Å; G600-V604 PolarHBondContact O-N 2.94Å; G600-V604 VanDerWaalsContact O-N 3.1Å
601	P	89	Confident	90	Very high	19 Å²	19	17.9 Å²	17.9	12%	0.123	9%	0.09	C	C	.	.	H	α-helix	trans	-67.6	-40.5	-175.8	23.9	-29.4	0	0	0	113	G448 N449 V452 G603 V604 F605	G448-P601 WeakPolarHBondContact O-CG 3.45Å; N449-P601 HydrophobicContact CB-CG 4.16Å; N449-P601 VanDerWaalsContact CG-CG 3.47Å; N449-P601 VanDerWaalsContact OD1-CG 3.22Å; N449-P601 WeakPolarHBondContact OD1-CG 3.17Å; V452-P601 HydrophobicContact CG2-CB 4.42Å; P601-G603 PolarHBondContact O-N 2.89Å; P601-V604 PolarHBondContact O-N 2.9Å; P601-F605 WeakPolarHBondContact O-CB 3.25Å; P601-F605 PolarHBondContact O-N 3.29Å
602	D	90.2	Very high	90.1	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.011	10%	0.103	C	C	.	.	H	α-helix	trans	-62	-33	174.5	-74.6	-10.9	0	0	0	111.8	F172 G448 N449 F450 L451 V452 L606	F172-D602 HydrophobicContact CE2-CB 3.98Å; G448-D602 VanDerWaalsContact C-CG 3.49Å; G448-D602 PolarHBondContact O-N 2.96Å; N449-D602 VanDerWaalsContact CA-OD1 3.24Å; N449-D602 WeakPolarHBondContact CA-OD1 3.24Å; N449-D602 PolarHBondContact N-OD2 3.23Å; F450-D602 PolarHBondContact N-OD1 2.74Å; F450-D602 PolarHBondContact N-OD2 2.8Å; L451-D602 HydrophobicContact CB-CB 4.14Å; L451-D602 PolarHBondContact N-OD1 3.45Å; L451-D602 PolarHBondContact N-OD2 3Å; L451-D602 VanDerWaalsContact N-OD2 3.13Å; V452-D602 PolarHBondContact N-OD1 2.88Å; D602-L606 WeakPolarHBondContact O-CG 3.45Å; D602-L606 PolarHBondContact O-N 2.95Å; D602-L606 VanDerWaalsContact O-N 3.08Å
603	G	91.3	Very high	90.1	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-70.6	-45.4	176.3	0	0	0	0	0	113.7	F251 G600 P601 F605 L606 L607	F251-G603 VanDerWaalsContact CE1-CA 3.42Å; G600-G603 PolarHBondContact O-N 2.05Å; P601-G603 PolarHBondContact O-N 2.89Å; G603-F605 VanDerWaalsContact C-N 3.3Å; G603-F605 PolarHBondContact O-N 2.98Å; G603-L606 PolarHBondContact O-N 3.4Å; G603-L607 PolarHBondContact O-N 2.98Å; G603-L607 VanDerWaalsContact O-N 3.1Å
604	V	92.9	Very high	90.3	Very high	1 Å²	1	15 Å²	15	1%	0.006	8%	0.076	C	C	.	.	H	α-helix	trans	-68.9	-30.4	174.8	-178.4	0	0	0	0	111.7	R570 W573 I574 V595 M599 G600 P601 L607 R608	R570-V604 HydrophobicContact CG-CB 3.91Å; R570-V604 HydrophobicContact CG-CG1 3.79Å; R570-V604 HydrophobicContact CG-CG2 3.74Å; W573-V604 HydrophobicContact CE3-CG1 3.93Å; W573-V604 HydrophobicContact CZ3-CG1 3.98Å; I574-V604 HydrophobicContact CD1-CG1 3.98Å; I574-V604 HydrophobicContact CD1-CG2 4Å; I574-V604 HydrophobicContact CG1-CG1 4.13Å; I574-V604 HydrophobicContact CG1-CG2 4.02Å; V595-V604 HydrophobicContact CG1-CG2 4.19Å; M599-V604 HydrophobicContact CG-CG2 4Å; M599-V604 HydrophobicContact SD-CB 4.48Å; M599-V604 HydrophobicContact SD-CG2 3.41Å; M599-V604 WeakPolarHBondContact SD-CG2 3.31Å; G600-V604 PolarHBondContact O-N 2.94Å; G600-V604 VanDerWaalsContact O-N 3.1Å; P601-V604 PolarHBondContact O-N 2.9Å; V604-L607 PolarHBondContact O-N 3.3Å; V604-R608 HydrophobicContact CG1-CG 4.37Å; V604-R608 WeakPolarHBondContact O-CB 3.14Å; V604-R608 WeakPolarHBondContact O-CD 3.39Å; V604-R608 VanDerWaalsContact O-CG 3.3Å; V604-R608 WeakPolarHBondContact O-CG 3.37Å; V604-R608 PolarHBondContact O-N 3.09Å
605	F	93.4	Very high	90.3	Very high	3 Å²	3	16.6 Å²	16.6	1%	0.013	9%	0.093	C	C	.	.	H	α-helix	trans	-60.8	-47.8	170.3	171.4	-93.9	0	0	0	111.7	W163 L451 V452 Y455 W560 I564 P601 G603 L607 R608 L609	W163-F605 AromaticContact CH2-CE1 3.97Å; W163-F605 HydrophobicContact CH2-CE1 3.97Å; W163-F605 HydrophobicContact CH2-CZ 4.08Å; W163-F605 HydrophobicContact CZ2-CE1 4.49Å; L451-F605 HydrophobicContact CD2-CD1 3.72Å; L451-F605 HydrophobicContact CD2-CE1 3.91Å; L451-F605 HydrophobicContact CG-CD1 3.88Å; L451-F605 HydrophobicContact CG-CE1 3.85Å; V452-F605 HydrophobicContact CG2-CB 3.59Å; V452-F605 HydrophobicContact CG2-CD2 4.36Å; V452-F605 HydrophobicContact CG2-CG 4.01Å; Y455-F605 AromaticContact CD1-CE2 3.46Å; Y455-F605 HydrophobicContact CD1-CE2 3.46Å; Y455-F605 VanDerWaalsContact CD1-CE2 3.46Å; Y455-F605 AromaticContact CD1-CZ 3.79Å; Y455-F605 HydrophobicContact CD1-CZ 3.79Å; Y455-F605 HydrophobicContact CD2-CE2 4.37Å; Y455-F605 AromaticContact CD2-CZ 3.83Å; Y455-F605 HydrophobicContact CD2-CZ 3.83Å; Y455-F605 AromaticContact CE1-CE2 4Å; Y455-F605 HydrophobicContact CE1-CE2 4Å; Y455-F605 HydrophobicContact CE1-CZ 4.32Å; Y455-F605 HydrophobicContact CE2-CZ 4.39Å; Y455-F605 AromaticContact CG-CE2 3.67Å; Y455-F605 HydrophobicContact CG-CE2 3.67Å; Y455-F605 AromaticContact CG-CZ 3.5Å; Y455-F605 HydrophobicContact CG-CZ 3.5Å; W560-F605 HydrophobicContact CE3-CD2 4.44Å; W560-F605 HydrophobicContact CE3-CE2 4.16Å; W560-F605 HydrophobicContact CH2-CE2 4.06Å; W560-F605 AromaticContact CZ3-CD2 3.83Å; W560-F605 HydrophobicContact CZ3-CD2 3.83Å; W560-F605 AromaticContact CZ3-CE2 3.61Å; W560-F605 HydrophobicContact CZ3-CE2 3.61Å; I564-F605 HydrophobicContact CD1-CD2 3.94Å; I564-F605 HydrophobicContact CD1-CE2 4.35Å; P601-F605 WeakPolarHBondContact O-CB 3.25Å; P601-F605 PolarHBondContact O-N 3.29Å; G603-F605 VanDerWaalsContact C-N 3.3Å; G603-F605 PolarHBondContact O-N 2.98Å; F605-L607 PolarHBondContact O-N 3.47Å; F605-R608 PolarHBondContact O-N 3.29Å; F605-L609 HydrophobicContact CE1-CD2 4.13Å; F605-L609 HydrophobicContact CZ-CD2 4.32Å; F605-L609 WeakPolarHBondContact O-CB 3.28Å; F605-L609 PolarHBondContact O-N 2.71Å
606	L	93.1	Very high	90.4	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-59	-44.3	176.7	-77	162.5	0	0	0	112.4	F172 V174 I177 M178 L451 D602 G603 R608 L609 I610	F172-L606 HydrophobicContact CB-CD1 4.14Å; F172-L606 HydrophobicContact CD1-CD1 3.44Å; F172-L606 VanDerWaalsContact CD1-CD1 3.44Å; F172-L606 HydrophobicContact CD2-CD1 4.24Å; F172-L606 HydrophobicContact CE1-CD1 3.79Å; F172-L606 HydrophobicContact CG-CD1 3.69Å; F172-L606 HydrophobicContact CZ-CD1 4.32Å; V174-L606 HydrophobicContact CG1-CD2 4.24Å; V174-L606 HydrophobicContact CG2-CD2 4.32Å; I177-L606 HydrophobicContact CD1-CD1 3.91Å; I177-L606 HydrophobicContact CD1-CD2 3.88Å; I177-L606 HydrophobicContact CD1-CG 4.49Å; M178-L606 HydrophobicContact CE-CD2 4.26Å; L451-L606 HydrophobicContact CD2-CD1 4.07Å; L451-L606 HydrophobicContact CD2-CD2 3.69Å; L451-L606 HydrophobicContact CD2-CG 3.69Å; D602-L606 WeakPolarHBondContact O-CG 3.45Å; D602-L606 PolarHBondContact O-N 2.95Å; D602-L606 VanDerWaalsContact O-N 3.08Å; G603-L606 PolarHBondContact O-N 3.4Å; L606-R608 VanDerWaalsContact C-N 3.33Å; L606-R608 PolarHBondContact O-N 2.77Å; L606-L609 PolarHBondContact O-N 2.98Å; L606-I610 WeakPolarHBondContact O-CG1 3.11Å; L606-I610 PolarHBondContact O-N 2.92Å
607	L	93.8	Very high	90.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-66.1	-33.3	178.1	-71	162.4	0	0	0	112.8	L247 W573 M599 G603 V604 F605 I610 A611 I623 L626	L247-L607 HydrophobicContact CD1-CD2 3.95Å; W573-L607 HydrophobicContact CH2-CB 4.32Å; W573-L607 HydrophobicContact CZ3-CB 4.31Å; M599-L607 HydrophobicContact CE-CD1 3.57Å; M599-L607 HydrophobicContact CG-CD1 4.3Å; M599-L607 HydrophobicContact SD-CD1 3.39Å; M599-L607 WeakPolarHBondContact SD-CD1 3.36Å; G603-L607 PolarHBondContact O-N 2.98Å; G603-L607 VanDerWaalsContact O-N 3.1Å; V604-L607 PolarHBondContact O-N 3.3Å; F605-L607 PolarHBondContact O-N 3.47Å; L607-I610 HydrophobicContact CD2-CD1 4.42Å; L607-I610 PolarHBondContact O-N 2.84Å; L607-A611 WeakPolarHBondContact O-CB 3.35Å; L607-A611 PolarHBondContact O-N 2.65Å; L607-I623 HydrophobicContact CD1-CD1 4.45Å; L607-I623 HydrophobicContact CD1-CG1 3.9Å; L607-I623 HydrophobicContact CD2-CG1 3.97Å; L607-I623 HydrophobicContact CG-CG1 4.38Å; L607-L626 HydrophobicContact CD1-CD1 4.31Å; L607-L626 HydrophobicContact CD2-CD1 4.19Å
608	R	93.6	Very high	91	Very high	13 Å²	13	22 Å²	22	5%	0.049	12%	0.122	C	C	.	.	H	α-helix	trans	-72.8	-33.1	172.9	-74.9	168.2	161.4	174.9	-13.1	113	R563 V569 W573 V604 F605 L606 I610 A611 Q612	R563-R608 PolarHBondContact O-NH1 3.03Å; R563-R608 PolarHBondContact O-NH2 3.29Å; V569-R608 PolarHBondContact O-NH2 2.81Å; W573-R608 HydrophobicContact CD2-CG 4.06Å; W573-R608 HydrophobicContact CE3-CG 3.73Å; W573-R608 VanDerWaalsContact CE3-NE 3.33Å; W573-R608 HydrophobicContact CH2-CB 4.38Å; W573-R608 HydrophobicContact CH2-CG 3.45Å; W573-R608 VanDerWaalsContact CH2-CG 3.45Å; W573-R608 HydrophobicContact CZ2-CG 3.76Å; W573-R608 HydrophobicContact CZ3-CG 3.43Å; W573-R608 VanDerWaalsContact CZ3-CG 3.43Å; V604-R608 HydrophobicContact CG1-CG 4.37Å; V604-R608 WeakPolarHBondContact O-CB 3.14Å; V604-R608 WeakPolarHBondContact O-CD 3.39Å; V604-R608 VanDerWaalsContact O-CG 3.3Å; V604-R608 WeakPolarHBondContact O-CG 3.37Å; V604-R608 PolarHBondContact O-N 3.09Å; F605-R608 PolarHBondContact O-N 3.29Å; L606-R608 VanDerWaalsContact C-N 3.33Å; L606-R608 PolarHBondContact O-N 2.77Å; R608-I610 VanDerWaalsContact C-N 3.34Å; R608-A611 PolarHBondContact O-N 3.1Å; R608-Q612 WeakPolarHBondContact O-CB 3.45Å; R608-Q612 PolarHBondContact O-N 3.43Å
609	L	92.1	Very high	91.3	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-68.6	-35.7	172.9	-172.4	61.5	0	0	0	111	D23 V174 M178 F605 L606 N613	D23-L609 HydrophobicContact CB-CD2 4.43Å; V174-L609 HydrophobicContact CG1-CD2 4.21Å; M178-L609 HydrophobicContact CE-CB 3.98Å; M178-L609 HydrophobicContact CE-CD2 3.74Å; M178-L609 HydrophobicContact CE-CG 3.78Å; M178-L609 HydrophobicContact SD-CG 4.28Å; F605-L609 HydrophobicContact CE1-CD2 4.13Å; F605-L609 HydrophobicContact CZ-CD2 4.32Å; F605-L609 WeakPolarHBondContact O-CB 3.28Å; F605-L609 PolarHBondContact O-N 2.71Å; L606-L609 PolarHBondContact O-N 2.98Å; L609-N613 WeakPolarHBondContact O-CB 3.44Å; L609-N613 PolarHBondContact O-N 3.09Å; L609-N613 PolarHBondContact O-ND2 2.78Å
610	I	93.1	Very high	91.5	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-62	-53.3	167.3	-67.2	169.4	0	0	0	110.3	I177 M178 A181 L243 L247 L606 L607 R608 Q612 N613 Y614 V618 A619	I177-I610 HydrophobicContact CG2-CD1 3.89Å; I177-I610 HydrophobicContact CG2-CG1 4.44Å; M178-I610 HydrophobicContact CE-CG1 3.79Å; M178-I610 HydrophobicContact SD-CG1 3.93Å; A181-I610 HydrophobicContact CB-CD1 4.34Å; A181-I610 HydrophobicContact CB-CG1 4.01Å; A181-I610 HydrophobicContact CB-CG2 4.01Å; L243-I610 HydrophobicContact CD1-CD1 4.48Å; L243-I610 HydrophobicContact CD2-CD1 4.42Å; L247-I610 HydrophobicContact CD1-CD1 4.29Å; L606-I610 WeakPolarHBondContact O-CG1 3.11Å; L606-I610 PolarHBondContact O-N 2.92Å; L607-I610 HydrophobicContact CD2-CD1 4.42Å; L607-I610 PolarHBondContact O-N 2.84Å; R608-I610 VanDerWaalsContact C-N 3.34Å; I610-Q612 VanDerWaalsContact C-N 3.31Å; I610-Q612 PolarHBondContact O-N 2.79Å; I610-N613 PolarHBondContact O-N 3.11Å; I610-Y614 HydrophobicContact CG2-CD2 4.44Å; I610-Y614 PolarHBondContact O-N 3.45Å; I610-V618 HydrophobicContact CG2-CG1 4.35Å; I610-A619 HydrophobicContact CG2-CB 4.11Å
611	A	92.9	Very high	91.8	Very high	10 Å²	10	24.7 Å²	24.7	8%	0.083	14%	0.137	C	C	.	.	H	α-helix	trans	-54.8	-44.3	-177.4	0	0	0	0	0	112.8	W573 L607 R608 N613 G615 A619	W573-A611 HydrophobicContact CH2-CB 4.36Å; W573-A611 HydrophobicContact CZ2-CB 3.93Å; L607-A611 WeakPolarHBondContact O-CB 3.35Å; L607-A611 PolarHBondContact O-N 2.65Å; R608-A611 PolarHBondContact O-N 3.1Å; A611-N613 VanDerWaalsContact C-N 3.3Å; A611-N613 PolarHBondContact O-N 2.92Å; A611-G615 CarbonylContact O-C 3.42Å; A611-G615 VanDerWaalsContact O-C 3.26Å; A611-G615 WeakPolarHBondContact O-CA 3.35Å; A611-G615 PolarHBondContact O-N 3.13Å; A611-A619 HydrophobicContact CB-CB 3.53Å
612	Q	89.9	Confident	92	Very high	73 Å²	73	23.8 Å²	23.8	34%	0.341	13%	0.131	S	C	.	.	H	α-helix	trans	-69.7	-24.1	179.4	-180	166.2	-14.4	0	0	113.8	D25 R608 I610	D25-Q612 PolarHBondContact OD1-NE2 2.94Å; R608-Q612 WeakPolarHBondContact O-CB 3.45Å; R608-Q612 PolarHBondContact O-N 3.43Å; I610-Q612 VanDerWaalsContact C-N 3.31Å; I610-Q612 PolarHBondContact O-N 2.79Å
613	N	88.8	Confident	92.1	Very high	35 Å²	35	23.7 Å²	23.7	19%	0.187	13%	0.13	C	C	.	.	H	α-helix	trans	-105.8	-23.6	-173.2	-82.2	-76.9	0	0	0	114.7	S22 R29 L609 I610 A611	S22-N613 WeakPolarHBondContact CA-OD1 3.5Å; S22-N613 WeakPolarHBondContact CB-OD1 3.25Å; S22-N613 PolarHBondContact O-ND2 2.86Å; R29-N613 PolarHBondContact NH2-OD1 3.34Å; L609-N613 WeakPolarHBondContact O-CB 3.44Å; L609-N613 PolarHBondContact O-N 3.09Å; L609-N613 PolarHBondContact O-ND2 2.78Å; I610-N613 PolarHBondContact O-N 3.11Å; A611-N613 VanDerWaalsContact C-N 3.3Å; A611-N613 PolarHBondContact O-N 2.92Å
614	Y	90.2	Very high	92.2	Very high	41 Å²	41	23.7 Å²	23.7	16%	0.161	13%	0.13	C	C	.	.	H	α-helix	trans	-131.5	7.4	-174.6	-61.4	-69.9	0	0	0	112.7	S22 M178 A181 A185 I610 V618	S22-Y614 VanDerWaalsContact CB-OH 3.28Å; S22-Y614 WeakPolarHBondContact CB-OH 3.42Å; S22-Y614 PolarHBondContact OG-OH 2.9Å; S22-Y614 VanDerWaalsContact OG-OH 3.11Å; M178-Y614 HydrophobicContact CB-CE2 4.2Å; M178-Y614 PolarHBondContact O-OH 2.69Å; M178-Y614 VanDerWaalsContact O-OH 3.07Å; M178-Y614 HydrophobicContact SD-CE2 4.1Å; A181-Y614 HydrophobicContact CB-CD2 3.48Å; A181-Y614 VanDerWaalsContact CB-CD2 3.48Å; A181-Y614 HydrophobicContact CB-CE2 3.68Å; A181-Y614 HydrophobicContact CB-CG 4.11Å; A185-Y614 HydrophobicContact CB-CD1 3.84Å; A185-Y614 HydrophobicContact CB-CG 4.37Å; I610-Y614 HydrophobicContact CG2-CD2 4.44Å; I610-Y614 PolarHBondContact O-N 3.45Å; Y614-V618 WeakPolarHBondContact O-CG2 3.44Å
615	G	90.2	Very high	92.1	Very high	34 Å²	34	26.5 Å²	26.5	35%	0.351	14%	0.143	S	C	.	.	H	α-helix	trans	86.7	152.7	179	0	0	0	0	0	113.9	A611 L617 V618 A619	A611-G615 CarbonylContact O-C 3.42Å; A611-G615 VanDerWaalsContact O-C 3.26Å; A611-G615 WeakPolarHBondContact O-CA 3.35Å; A611-G615 PolarHBondContact O-N 3.13Å; G615-L617 PolarHBondContact O-N 2.76Å; G615-V618 PolarHBondContact O-N 3.24Å; G615-A619 PolarHBondContact O-N 3.03Å
616	D	91.5	Very high	92	Very high	88 Å²	88	26.4 Å²	26.4	47%	0.471	14%	0.143	S	C	.	.	H	α-helix	trans	-61.1	-26.2	177.4	-79.5	-70.1	0	0	0	113.1	Q577 G620	Q577-D616 PolarHBondContact NE2-OD1 3Å; D616-G620 WeakPolarHBondContact O-CA 3.38Å; D616-G620 PolarHBondContact O-N 2.92Å
617	L	90.5	Very high	91.9	Very high	126 Å²	126	26.6 Å²	26.6	66%	0.66	14%	0.144	S	C	*	.	H	α-helix	trans	-61	-52	176.9	-178.2	63.3	0	0	0	112	G615 A619 G620 D621	G615-L617 PolarHBondContact O-N 2.76Å; L617-A619 PolarHBondContact O-N 3.42Å; L617-G620 PolarHBondContact O-N 3.47Å; L617-D621 PolarHBondContact O-N 2.83Å
618	V	91.7	Very high	91.7	Very high	14 Å²	14	30.5 Å²	30.5	9%	0.085	16%	0.163	C	C	.	.	H	α-helix	trans	-66.3	-40.6	-179.5	-179.7	0	0	0	0	110.8	A184 A185 I610 Y614 G615 T622	A184-V618 HydrophobicContact CB-CG1 3.83Å; A185-V618 HydrophobicContact CB-CG2 4Å; I610-V618 HydrophobicContact CG2-CG1 4.35Å; Y614-V618 WeakPolarHBondContact O-CG2 3.44Å; G615-V618 PolarHBondContact O-N 3.24Å; V618-T622 VanDerWaalsContact O-CG2 3.27Å; V618-T622 WeakPolarHBondContact O-CG2 3.17Å; V618-T622 PolarHBondContact O-N 3.39Å; V618-T622 PolarHBondContact O-OG1 2.96Å
619	A	93.4	Very high	91.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-62.7	-44.2	174	0	0	0	0	0	111.5	I610 A611 G615 L617 T622 I623	I610-A619 HydrophobicContact CG2-CB 4.11Å; A611-A619 HydrophobicContact CB-CB 3.53Å; G615-A619 PolarHBondContact O-N 3.03Å; L617-A619 PolarHBondContact O-N 3.42Å; A619-T622 PolarHBondContact O-N 3.09Å; A619-T622 PolarHBondContact O-OG1 2.88Å; A619-I623 WeakPolarHBondContact O-CD1 3.46Å; A619-I623 VanDerWaalsContact O-CG1 3.24Å; A619-I623 WeakPolarHBondContact O-CG1 3.43Å; A619-I623 PolarHBondContact O-N 2.86Å
620	G	92.7	Very high	91.3	Very high	2 Å²	2	32 Å²	32	2%	0.021	18%	0.175	C	C	.	.	H	α-helix	trans	-55.2	-60.5	175.1	0	0	0	0	0	112.1	I581 D616 L617 T622 I623 G624	I581-G620 WeakPolarHBondContact CD1-O 3.17Å; D616-G620 WeakPolarHBondContact O-CA 3.38Å; D616-G620 PolarHBondContact O-N 2.92Å; L617-G620 PolarHBondContact O-N 3.47Å; G620-T622 PolarHBondContact O-N 3.26Å; G620-I623 CarbonylContact O-C 3.59Å; G620-I623 WeakPolarHBondContact O-CA 3.5Å; G620-I623 WeakPolarHBondContact O-CB 3.37Å; G620-I623 PolarHBondContact O-N 2.79Å; G620-G624 PolarHBondContact O-N 2.89Å
621	D	92.7	Very high	90.8	Very high	58 Å²	58	33.8 Å²	33.8	31%	0.31	18%	0.182	S	C	.	.	H	α-helix	trans	-59.3	-35	-175.7	-66.9	-23.1	0	0	0	112	V240 L617 G624 E625	V240-D621 HydrophobicContact CG1-CB 3.77Å; V240-D621 HydrophobicContact CG2-CB 4.4Å; L617-D621 PolarHBondContact O-N 2.83Å; D621-G624 PolarHBondContact O-N 2.94Å; D621-E625 PolarHBondContact O-N 2.75Å
622	T	93.5	Very high	90.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-67.4	-36.6	172.7	64.6	0	0	0	0	113.1	V240 L243 V618 A619 G620 L626	V240-T622 HydrophobicContact CG1-CG2 4.01Å; L243-T622 HydrophobicContact CB-CG2 4.33Å; L243-T622 HydrophobicContact CD2-CG2 3.51Å; L243-T622 HydrophobicContact CG-CG2 3.77Å; V618-T622 VanDerWaalsContact O-CG2 3.27Å; V618-T622 WeakPolarHBondContact O-CG2 3.17Å; V618-T622 PolarHBondContact O-N 3.39Å; V618-T622 PolarHBondContact O-OG1 2.96Å; A619-T622 PolarHBondContact O-N 3.09Å; A619-T622 PolarHBondContact O-OG1 2.88Å; G620-T622 PolarHBondContact O-N 3.26Å; T622-L626 VanDerWaalsContact O-CB 3.3Å; T622-L626 WeakPolarHBondContact O-CB 3.34Å; T622-L626 WeakPolarHBondContact O-CD1 3.41Å; T622-L626 WeakPolarHBondContact O-CG 3.28Å; T622-L626 PolarHBondContact O-N 3.49Å
623	I	93.8	Very high	90.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-65.6	-38.9	173.6	-69.4	162.1	0	0	0	110.8	W573 I574 Q577 L578 L607 A619 G620 L626 W627	W573-I623 HydrophobicContact CH2-CD1 4.07Å; W573-I623 HydrophobicContact CZ3-CD1 4.11Å; I574-I623 HydrophobicContact CD1-CD1 3.93Å; I574-I623 HydrophobicContact CD1-CG1 4.45Å; I574-I623 HydrophobicContact CG2-CG2 4.2Å; Q577-I623 HydrophobicContact CB-CD1 3.99Å; Q577-I623 HydrophobicContact CG-CD1 3.91Å; L578-I623 HydrophobicContact CD1-CG2 3.31Å; L578-I623 HydrophobicContact CG-CG2 4.11Å; L607-I623 HydrophobicContact CD1-CD1 4.45Å; L607-I623 HydrophobicContact CD1-CG1 3.9Å; L607-I623 HydrophobicContact CD2-CG1 3.97Å; L607-I623 HydrophobicContact CG-CG1 4.38Å; A619-I623 WeakPolarHBondContact O-CD1 3.46Å; A619-I623 VanDerWaalsContact O-CG1 3.24Å; A619-I623 WeakPolarHBondContact O-CG1 3.43Å; A619-I623 PolarHBondContact O-N 2.86Å; G620-I623 CarbonylContact O-C 3.59Å; G620-I623 WeakPolarHBondContact O-CA 3.5Å; G620-I623 WeakPolarHBondContact O-CB 3.37Å; G620-I623 PolarHBondContact O-N 2.79Å; I623-L626 PolarHBondContact O-N 2.85Å; I623-W627 WeakPolarHBondContact O-CB 3.37Å; I623-W627 PolarHBondContact O-N 3.5Å
624	G	91.7	Very high	90.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-61.5	-52.8	175.3	0	0	0	0	0	112.6	Q583 G620 D621 L626 W627 M628	Q583-G624 VanDerWaalsContact OE1-C 3.31Å; Q583-G624 PolarHBondContact OE1-O 3.17Å; G620-G624 PolarHBondContact O-N 2.89Å; D621-G624 PolarHBondContact O-N 2.94Å; G624-L626 VanDerWaalsContact C-N 3.3Å; G624-L626 PolarHBondContact O-N 2.93Å; G624-W627 WeakPolarHBondContact O-CB 3.25Å; G624-W627 PolarHBondContact O-N 2.99Å; G624-W627 VanDerWaalsContact O-N 3.1Å; G624-M628 WeakPolarHBondContact O-CG 3.41Å; G624-M628 PolarHBondContact O-N 2.83Å
625	E	91.1	Very high	89.8	Confident	60 Å²	60	44.9 Å²	44.9	28%	0.28	23%	0.228	S	C	.	.	H	α-helix	trans	-61.2	-36.8	175.9	-71.3	-69.2	153.7	0	0	112.6	V240 K241 A244 D621 A629	V240-E625 HydrophobicContact CG1-CG 4.23Å; K241-E625 WeakPolarHBondContact CE-OE1 3.27Å; K241-E625 VanDerWaalsContact CE-OE2 3.27Å; K241-E625 WeakPolarHBondContact CE-OE2 3.25Å; K241-E625 HydrophobicContact CG-CG 3.95Å; K241-E625 WeakPolarHBondContact CG-OE2 3.48Å; K241-E625 IonicContact NZ-OE1 2.81Å; A244-E625 HydrophobicContact CB-CB 3.52Å; D621-E625 PolarHBondContact O-N 2.75Å; E625-A629 WeakPolarHBondContact O-CB 3.47Å; E625-A629 PolarHBondContact O-N 2.86Å
626	L	92.5	Very high	89.5	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-63.3	-40.5	172.5	-78.8	165.1	0	0	0	112.7	A244 L247 D248 F251 F594 M599 L607 T622 I623 G624 Y630	A244-L626 HydrophobicContact CB-CG 4.26Å; A244-L626 WeakPolarHBondContact O-CD2 3.33Å; L247-L626 HydrophobicContact CB-CD1 4.33Å; L247-L626 HydrophobicContact CB-CD2 4.11Å; L247-L626 HydrophobicContact CD1-CD1 4.26Å; D248-L626 HydrophobicContact CB-CD2 3.93Å; F251-L626 HydrophobicContact CD2-CD2 4.11Å; F251-L626 HydrophobicContact CE2-CD1 3.88Å; F251-L626 HydrophobicContact CE2-CD2 4.01Å; F594-L626 HydrophobicContact CE2-CB 4.34Å; F594-L626 HydrophobicContact CZ-CB 4.07Å; M599-L626 HydrophobicContact CE-CD1 4.31Å; L607-L626 HydrophobicContact CD1-CD1 4.31Å; L607-L626 HydrophobicContact CD2-CD1 4.19Å; T622-L626 VanDerWaalsContact O-CB 3.3Å; T622-L626 WeakPolarHBondContact O-CB 3.34Å; T622-L626 WeakPolarHBondContact O-CD1 3.41Å; T622-L626 WeakPolarHBondContact O-CG 3.28Å; T622-L626 PolarHBondContact O-N 3.49Å; I623-L626 PolarHBondContact O-N 2.85Å; G624-L626 VanDerWaalsContact C-N 3.3Å; G624-L626 PolarHBondContact O-N 2.93Å; L626-Y630 WeakPolarHBondContact O-CB 3.39Å; L626-Y630 PolarHBondContact O-N 2.79Å
627	W	91.1	Very high	89	Confident	3 Å²	3	45.2 Å²	45.2	1%	0.011	23%	0.226	C	C	.	.	H	α-helix	trans	-66.9	-46.1	177.8	179.9	-121.3	0	0	0	111.6	L578 Q583 E588 F591 F594 I623 G624 A629 Y630 W631	L578-W627 HydrophobicContact CD2-CB 4.02Å; L578-W627 VanDerWaalsContact CD2-CD1 3.45Å; L578-W627 HydrophobicContact CD2-CD2 3.53Å; L578-W627 VanDerWaalsContact CD2-CE2 3.46Å; L578-W627 HydrophobicContact CD2-CE3 4.32Å; L578-W627 HydrophobicContact CD2-CG 3.44Å; L578-W627 VanDerWaalsContact CD2-CG 3.44Å; L578-W627 HydrophobicContact CD2-CZ2 4.1Å; Q583-W627 PolarHBondContact O-NE1 2.97Å; E588-W627 WeakPolarHBondContact OE2-CZ2 3.39Å; F591-W627 HydrophobicContact CB-CH2 3.89Å; F591-W627 AromaticContact CD2-CH2 3.72Å; F591-W627 HydrophobicContact CD2-CH2 3.72Å; F591-W627 HydrophobicContact CD2-CZ2 4.23Å; F591-W627 HydrophobicContact CD2-CZ3 4.03Å; F591-W627 HydrophobicContact CG-CH2 4.31Å; F594-W627 HydrophobicContact CB-CE3 4.05Å; F594-W627 HydrophobicContact CB-CZ3 3.62Å; F594-W627 AromaticContact CD1-CE3 3.47Å; F594-W627 HydrophobicContact CD1-CE3 3.47Å; F594-W627 VanDerWaalsContact CD1-CE3 3.47Å; F594-W627 AromaticContact CD1-CZ3 3.7Å; F594-W627 HydrophobicContact CD1-CZ3 3.7Å; F594-W627 HydrophobicContact CD2-CE3 4.06Å; F594-W627 HydrophobicContact CD2-CZ3 4.5Å; F594-W627 HydrophobicContact CE1-CB 4.46Å; F594-W627 AromaticContact CE1-CE3 3.77Å; F594-W627 HydrophobicContact CE1-CE3 3.77Å; F594-W627 HydrophobicContact CE1-CZ3 4.43Å; F594-W627 HydrophobicContact CE2-CE3 4.32Å; F594-W627 AromaticContact CG-CE3 3.62Å; F594-W627 HydrophobicContact CG-CE3 3.62Å; F594-W627 AromaticContact CG-CZ3 3.73Å; F594-W627 HydrophobicContact CG-CZ3 3.73Å; F594-W627 HydrophobicContact CZ-CB 4.16Å; F594-W627 HydrophobicContact CZ-CE3 4.17Å; I623-W627 WeakPolarHBondContact O-CB 3.37Å; I623-W627 PolarHBondContact O-N 3.5Å; G624-W627 WeakPolarHBondContact O-CB 3.25Å; G624-W627 PolarHBondContact O-N 2.99Å; G624-W627 VanDerWaalsContact O-N 3.1Å; W627-A629 PolarHBondContact O-N 3.28Å; W627-Y630 HydrophobicContact CE3-CD1 4.29Å; W627-Y630 HydrophobicContact CZ3-CD1 4.29Å; W627-Y630 PolarHBondContact O-N 3.17Å; W627-W631 AromaticContact CD2-CD1 3.59Å; W627-W631 AromaticContact CD2-NE1 3.58Å; W627-W631 AromaticContact CE2-CD1 3.52Å; W627-W631 AromaticContact CE2-NE1 3.13Å; W627-W631 AromaticContact CE3-CD1 4Å; W627-W631 AromaticContact CE3-NE1 3.84Å; W627-W631 HydrophobicContact CH2-CZ2 4.26Å; W627-W631 AromaticContact CH2-NE1 3.37Å; W627-W631 AromaticContact CZ2-CD1 3.98Å; W627-W631 HydrophobicContact CZ2-CZ2 4.44Å; W627-W631 AromaticContact CZ2-NE1 3.1Å; W627-W631 AromaticContact CZ3-NE1 3.71Å; W627-W631 AromaticContact NE1-CD1 3.69Å; W627-W631 AromaticContact NE1-NE1 3.61Å; W627-W631 PolarHBondContact O-N 2.96Å
628	M	88.8	Confident	88.4	Confident	83 Å²	83	41.3 Å²	41.3	41%	0.409	21%	0.209	S	C	.	.	H	α-helix	trans	-61.7	-43.5	176.1	-67.2	-58.1	-67.1	0	0	111.8	G624 Y630 W631 Q632	G624-M628 WeakPolarHBondContact O-CG 3.41Å; G624-M628 PolarHBondContact O-N 2.83Å; M628-Y630 PolarHBondContact O-N 3.43Å; M628-W631 PolarHBondContact O-N 3.28Å; M628-Q632 WeakPolarHBondContact O-CB 3.21Å; M628-Q632 VanDerWaalsContact O-CG 3.29Å; M628-Q632 WeakPolarHBondContact O-CG 3.1Å; M628-Q632 PolarHBondContact O-N 3.05Å
629	A	87.7	Confident	87.6	Confident	29 Å²	29	43.6 Å²	43.6	24%	0.24	23%	0.226	C	C	.	.	H	α-helix	trans	-62.7	-40.3	174.9	0	0	0	0	0	112.5	E625 W627 R633	E625-A629 WeakPolarHBondContact O-CB 3.47Å; E625-A629 PolarHBondContact O-N 2.86Å; W627-A629 PolarHBondContact O-N 3.28Å; A629-R633 WeakPolarHBondContact O-CB 3.36Å; A629-R633 PolarHBondContact O-N 3.33Å; A629-R633 VanDerWaalsContact O-N 3.12Å
630	Y	88.7	Confident	86.7	Confident	16 Å²	16	49 Å²	49	6%	0.063	25%	0.252	C	S	.	.	H	α-helix	trans	-63.6	-43.8	175	176.7	-98.5	0	0	0	112.1	Q593 F594 H598 L626 W627 M628 R633 R634	Q593-Y630 WeakPolarHBondContact CB-OH 2.99Å; F594-Y630 HydrophobicContact CB-CD1 3.93Å; F594-Y630 HydrophobicContact CB-CE1 3.74Å; F594-Y630 HydrophobicContact CB-CE2 4.39Å; F594-Y630 HydrophobicContact CB-CG 4.33Å; F594-Y630 AromaticContact CD2-CD1 3.84Å; F594-Y630 HydrophobicContact CD2-CD1 3.84Å; F594-Y630 AromaticContact CD2-CD2 3.86Å; F594-Y630 HydrophobicContact CD2-CD2 3.86Å; F594-Y630 HydrophobicContact CD2-CE1 4.45Å; F594-Y630 HydrophobicContact CD2-CE2 4.46Å; F594-Y630 AromaticContact CD2-CG 3.51Å; F594-Y630 HydrophobicContact CD2-CG 3.51Å; F594-Y630 HydrophobicContact CE2-CG 4.22Å; F594-Y630 HydrophobicContact CG-CD1 4.22Å; F594-Y630 HydrophobicContact CG-CG 4.32Å; H598-Y630 HydrophobicContact CB-CD2 4.03Å; H598-Y630 HydrophobicContact CB-CE2 3.92Å; H598-Y630 AromaticContact CG-CD2 4Å; L626-Y630 WeakPolarHBondContact O-CB 3.39Å; L626-Y630 PolarHBondContact O-N 2.79Å; W627-Y630 HydrophobicContact CE3-CD1 4.29Å; W627-Y630 HydrophobicContact CZ3-CD1 4.29Å; W627-Y630 PolarHBondContact O-N 3.17Å; M628-Y630 PolarHBondContact O-N 3.43Å; Y630-R633 PolarHBondContact O-N 3.13Å; Y630-R634 WeakPolarHBondContact O-CB 3.49Å; Y630-R634 PolarHBondContact O-N 3.37Å
631	W	84.5	Confident	85.6	Confident	37 Å²	37	57 Å²	57	14%	0.14	28%	0.281	C	S	.	.	H	α-helix	trans	-66.1	-44.9	177.7	-88.4	115.9	0	0	0	113.2	E588 W627 M628 R633 R634 L635	E588-W631 HydrophobicContact CB-CH2 4.39Å; E588-W631 HydrophobicContact CB-CZ2 3.76Å; E588-W631 VanDerWaalsContact CD-CE2 3.4Å; E588-W631 HydrophobicContact CG-CH2 4.15Å; E588-W631 HydrophobicContact CG-CZ2 3.68Å; E588-W631 VanDerWaalsContact OE1-CE2 3.27Å; E588-W631 WeakPolarHBondContact OE1-CZ2 3.47Å; E588-W631 PolarHBondContact OE1-NE1 2.71Å; E588-W631 PolarHBondContact OE2-NE1 3.39Å; W627-W631 AromaticContact CD2-CD1 3.59Å; W627-W631 AromaticContact CD2-NE1 3.58Å; W627-W631 AromaticContact CE2-CD1 3.52Å; W627-W631 AromaticContact CE2-NE1 3.13Å; W627-W631 AromaticContact CE3-CD1 4Å; W627-W631 AromaticContact CE3-NE1 3.84Å; W627-W631 HydrophobicContact CH2-CZ2 4.26Å; W627-W631 AromaticContact CH2-NE1 3.37Å; W627-W631 AromaticContact CZ2-CD1 3.98Å; W627-W631 HydrophobicContact CZ2-CZ2 4.44Å; W627-W631 AromaticContact CZ2-NE1 3.1Å; W627-W631 AromaticContact CZ3-NE1 3.71Å; W627-W631 AromaticContact NE1-CD1 3.69Å; W627-W631 AromaticContact NE1-NE1 3.61Å; W627-W631 PolarHBondContact O-N 2.96Å; M628-W631 PolarHBondContact O-N 3.28Å; W631-R633 VanDerWaalsContact C-N 3.29Å; W631-R633 PolarHBondContact O-N 3.26Å; W631-R634 HydrophobicContact CE3-CB 4.4Å; W631-R634 CarbonylContact O-C 3.49Å; W631-R634 WeakPolarHBondContact O-CA 3.43Å; W631-R634 PolarHBondContact O-N 3.17Å; W631-L635 WeakPolarHBondContact O-CB 3.48Å; W631-L635 WeakPolarHBondContact O-CG 3.09Å; W631-L635 PolarHBondContact O-N 3.35Å
632	Q	87	Confident	84.5	Confident	123 Å²	123	62.8 Å²	62.8	58%	0.575	30%	0.299	S	S	*	.	H	α-helix	trans	-56.1	-44.1	174.3	-72.3	171.3	-3	0	0	111.6	M628 R634 L635 T636	M628-Q632 WeakPolarHBondContact O-CB 3.21Å; M628-Q632 VanDerWaalsContact O-CG 3.29Å; M628-Q632 WeakPolarHBondContact O-CG 3.1Å; M628-Q632 PolarHBondContact O-N 3.05Å; Q632-R634 VanDerWaalsContact C-N 3.31Å; Q632-R634 PolarHBondContact O-N 3.47Å; Q632-L635 PolarHBondContact O-N 3.41Å; Q632-T636 WeakPolarHBondContact O-CG2 2.98Å; Q632-T636 PolarHBondContact O-N 3.42Å; Q632-T636 VanDerWaalsContact O-N 3.11Å; Q632-T636 PolarHBondContact O-OG1 2.84Å
633	R	84.8	Confident	83.4	Confident	99 Å²	99	68.2 Å²	68.2	37%	0.374	33%	0.327	S	S	.	.	H	α-helix	trans	-67.6	-26.6	175.4	-168.5	175	-65.2	133.6	3.5	113.5	D248 M252 A629 Y630 W631 T636 V637	D248-R633 IonicContact OD1-CZ 3.41Å; D248-R633 IonicContact OD1-NH1 3.21Å; D248-R633 PolarHBondContact OD1-NH1 2.75Å; D248-R633 IonicContact OD1-NH2 2.7Å; D248-R633 IonicContact OD2-CZ 2.67Å; D248-R633 IonicContact OD2-NH1 3.96Å; D248-R633 PolarHBondContact OD2-NH1 3.35Å; D248-R633 IonicContact OD2-NH2 3.11Å; D248-R633 PolarHBondContact OD2-NH2 2.86Å; M252-R633 PolarHBondContact SD-NH1 3.35Å; A629-R633 WeakPolarHBondContact O-CB 3.36Å; A629-R633 PolarHBondContact O-N 3.33Å; A629-R633 VanDerWaalsContact O-N 3.12Å; Y630-R633 PolarHBondContact O-N 3.13Å; W631-R633 VanDerWaalsContact C-N 3.29Å; W631-R633 PolarHBondContact O-N 3.26Å; R633-T636 WeakPolarHBondContact CA-OG1 3.45Å; R633-T636 PolarHBondContact O-OG1 3.44Å; R633-T636 VanDerWaalsContact O-OG1 3.11Å; R633-V637 WeakPolarHBondContact O-CG2 3.45Å
634	R	83.5	Confident	81.8	Confident	64 Å²	64	72.3 Å²	72.3	24%	0.242	35%	0.352	C	S	.	.	H	α-helix	trans	-81.7	-36.2	177.1	-163.9	175.4	-169.9	-133.7	6.7	112.2	K589 Q593 Y630 W631 Q632 S638	K589-R634 VanDerWaalsContact O-CZ 3.3Å; K589-R634 PolarHBondContact O-NH1 3.3Å; K589-R634 PolarHBondContact O-NH2 3.04Å; Q593-R634 VanDerWaalsContact OE1-NH2 3.17Å; Y630-R634 WeakPolarHBondContact O-CB 3.49Å; Y630-R634 PolarHBondContact O-N 3.37Å; W631-R634 HydrophobicContact CE3-CB 4.4Å; W631-R634 CarbonylContact O-C 3.49Å; W631-R634 WeakPolarHBondContact O-CA 3.43Å; W631-R634 PolarHBondContact O-N 3.17Å; Q632-R634 VanDerWaalsContact C-N 3.31Å; Q632-R634 PolarHBondContact O-N 3.47Å; R634-S638 WeakPolarHBondContact O-CB 3.5Å; R634-S638 PolarHBondContact O-N 2.62Å; R634-S638 PolarHBondContact O-OG 3.47Å
635	L	83.8	Confident	80	Confident	106 Å²	106	74.8 Å²	74.8	56%	0.555	38%	0.378	S	S	*	.	H	α-helix	trans	-69.5	-45.7	177.3	-71.2	168.4	0	0	0	111.6	W631 Q632 S638 S639	W631-L635 WeakPolarHBondContact O-CB 3.48Å; W631-L635 WeakPolarHBondContact O-CG 3.09Å; W631-L635 PolarHBondContact O-N 3.35Å; Q632-L635 PolarHBondContact O-N 3.41Å; L635-S638 CarbonylContact O-C 3.48Å; L635-S638 WeakPolarHBondContact O-CA 3.3Å; L635-S638 PolarHBondContact O-N 2.68Å; L635-S639 PolarHBondContact O-N 3.1Å
636	T	85.6	Confident	78.2	Confident	74 Å²	74	76.4 Å²	76.4	45%	0.454	40%	0.395	S	S	.	.	H	α-helix	trans	-55.4	-54.8	174.8	39.8	0	0	0	0	112.2	Q632 R633 S638 S639 E640	Q632-T636 WeakPolarHBondContact O-CG2 2.98Å; Q632-T636 PolarHBondContact O-N 3.42Å; Q632-T636 VanDerWaalsContact O-N 3.11Å; Q632-T636 PolarHBondContact O-OG1 2.84Å; R633-T636 WeakPolarHBondContact CA-OG1 3.45Å; R633-T636 PolarHBondContact O-OG1 3.44Å; R633-T636 VanDerWaalsContact O-OG1 3.11Å; T636-S638 PolarHBondContact O-N 3.1Å; T636-S638 VanDerWaalsContact O-N 3.09Å; T636-S639 WeakPolarHBondContact O-CA 3.39Å; T636-S639 WeakPolarHBondContact O-CB 3.48Å; T636-S639 PolarHBondContact O-N 3.13Å; T636-E640 WeakPolarHBondContact O-CG 3.48Å; T636-E640 PolarHBondContact O-N 2.86Å
637	V	80.6	Confident	76.4	Confident	54 Å²	54	82.8 Å²	82.8	33%	0.327	43%	0.428	S	S	.	.	H	α-helix	trans	-61.5	-19.6	175.7	172.1	0	0	0	0	113.5	R633 R641	R633-V637 WeakPolarHBondContact O-CG2 3.45Å; V637-R641 PolarHBondContact O-N 3.23Å; V637-R641 PolarHBondContact O-NE 3.12Å
638	S	77.1	Confident	74.1	Confident	44 Å²	44	87.3 Å²	87.3	31%	0.308	46%	0.461	S	S	.	.	H	α-helix	trans	-93.6	-7.8	174.4	-54.2	0	0	0	0	113.3	R634 L635 T636 R642	R634-S638 WeakPolarHBondContact O-CB 3.5Å; R634-S638 PolarHBondContact O-N 2.62Å; R634-S638 PolarHBondContact O-OG 3.47Å; L635-S638 CarbonylContact O-C 3.48Å; L635-S638 WeakPolarHBondContact O-CA 3.3Å; L635-S638 PolarHBondContact O-N 2.68Å; T636-S638 PolarHBondContact O-N 3.1Å; T636-S638 VanDerWaalsContact O-N 3.09Å; S638-R642 PolarHBondContact O-NE 2.74Å; S638-R642 PolarHBondContact O-NH2 3.01Å
639	S	75.8	Confident	71.8	Confident	63 Å²	63	94.4 Å²	94.4	44%	0.441	48%	0.483	S	S	.	.	H	α-helix	trans	-89.3	-50	167.5	-161.8	0	0	0	0	109.7	L635 T636 R641 R642 L643	L635-S639 PolarHBondContact O-N 3.1Å; T636-S639 WeakPolarHBondContact O-CA 3.39Å; T636-S639 WeakPolarHBondContact O-CB 3.48Å; T636-S639 PolarHBondContact O-N 3.13Å; S639-R641 VanDerWaalsContact C-N 3.3Å; S639-R641 PolarHBondContact O-N 3.29Å; S639-R642 WeakPolarHBondContact O-CA 3.34Å; S639-R642 WeakPolarHBondContact O-CB 3.23Å; S639-R642 PolarHBondContact O-N 3.19Å; S639-L643 PolarHBondContact O-N 3.41Å
640	E	73.8	Confident	69.4	Low	114 Å²	114	102.5 Å²	102.5	53%	0.533	51%	0.513	S	S	.	.	H	α-helix	trans	-52.1	-46.5	175.6	-69.1	165.9	176.3	0	0	111.8	T636 R642 L643 T644	T636-E640 WeakPolarHBondContact O-CG 3.48Å; T636-E640 PolarHBondContact O-N 2.86Å; E640-R642 VanDerWaalsContact C-N 3.26Å; E640-R642 PolarHBondContact O-N 3.34Å; E640-L643 PolarHBondContact O-N 3.06Å; E640-T644 PolarHBondContact O-N 3Å; E640-T644 PolarHBondContact O-OG1 3.23Å
641	R	70.1	Confident	67	Low	170 Å²	170	107.3 Å²	107.3	64%	0.642	55%	0.546	S	S	*	.	H	α-helix	trans	-68	-18	177.1	-86.7	-171.2	-78.4	171.1	-9.6	115.3	V637 S639 G645	V637-R641 PolarHBondContact O-N 3.23Å; V637-R641 PolarHBondContact O-NE 3.12Å; S639-R641 VanDerWaalsContact C-N 3.3Å; S639-R641 PolarHBondContact O-N 3.29Å; R641-G645 WeakPolarHBondContact O-CA 3Å; R641-G645 PolarHBondContact O-N 3.36Å; R641-G645 VanDerWaalsContact O-N 3.14Å
642	R	69.6	Low	65.1	Low	178 Å²	178	111.7 Å²	111.7	67%	0.672	58%	0.579	S	S	*	*	H	α-helix	trans	-81.9	-40.5	170.1	-79.6	-179.3	-78.7	172.4	-0.7	110.9	S638 S639 E640 G645 S646	S638-R642 PolarHBondContact O-NE 2.74Å; S638-R642 PolarHBondContact O-NH2 3.01Å; S639-R642 WeakPolarHBondContact O-CA 3.34Å; S639-R642 WeakPolarHBondContact O-CB 3.23Å; S639-R642 PolarHBondContact O-N 3.19Å; E640-R642 VanDerWaalsContact C-N 3.26Å; E640-R642 PolarHBondContact O-N 3.34Å; R642-G645 PolarHBondContact O-N 3.44Å; R642-S646 PolarHBondContact O-N 3.45Å
643	L	69.3	Low	62.8	Low	114 Å²	114	111 Å²	111	60%	0.597	59%	0.587	S	S	*	*	H	α-helix	trans	-62.4	-48.8	172.9	-116	69.8	0	0	0	112.6	S639 E640 G645 S646 I647	S639-L643 PolarHBondContact O-N 3.41Å; E640-L643 PolarHBondContact O-N 3.06Å; L643-G645 VanDerWaalsContact C-N 3.26Å; L643-G645 PolarHBondContact O-N 3.4Å; L643-S646 PolarHBondContact O-N 2.74Å; L643-S646 PolarHBondContact O-OG 3.19Å; L643-S646 VanDerWaalsContact O-OG 3.05Å; L643-I647 WeakPolarHBondContact O-CG1 3.46Å; L643-I647 PolarHBondContact O-N 3.24Å
644	T	60.9	Low	60.3	Low	87 Å²	87	111.7 Å²	111.7	53%	0.534	61%	0.605	S	S	.	*	H	α-helix	trans	-72.1	-23.6	176.3	61.3	0	0	0	0	112.1	E640 S648	E640-T644 PolarHBondContact O-N 3Å; E640-T644 PolarHBondContact O-OG1 3.23Å; T644-S648 VanDerWaalsContact O-CB 3.31Å; T644-S648 WeakPolarHBondContact O-CB 3.47Å; T644-S648 PolarHBondContact O-N 2.85Å; T644-S648 VanDerWaalsContact O-N 3.08Å
645	G	53.3	Low	58.2	Low	52 Å²	52	112.4 Å²	112.4	54%	0.536	63%	0.625	S	S	.	*	H	α-helix	trans	-67.3	-35.4	175.4	0	0	0	0	0	113.6	R641 R642 L643	R641-G645 WeakPolarHBondContact O-CA 3Å; R641-G645 PolarHBondContact O-N 3.36Å; R641-G645 VanDerWaalsContact O-N 3.14Å; R642-G645 PolarHBondContact O-N 3.44Å; L643-G645 VanDerWaalsContact C-N 3.26Å; L643-G645 PolarHBondContact O-N 3.4Å
646	S	52.9	Low	56.3	Low	93 Å²	93	112.5 Å²	112.5	65%	0.65	63%	0.634	S	S	*	*	H	α-helix	trans	-81.3	-28.3	174.1	56	0	0	0	0	113.4	R642 L643	R642-S646 PolarHBondContact O-N 3.45Å; L643-S646 PolarHBondContact O-N 2.74Å; L643-S646 PolarHBondContact O-OG 3.19Å; L643-S646 VanDerWaalsContact O-OG 3.05Å
647	I	55.6	Low	54.1	Low	135 Å²	135	115 Å²	115	69%	0.692	65%	0.649	S	S	*	*	H	α-helix	trans	-85.5	-13.4	-178.6	-66	167.2	0	0	0	112.7	L643 R649	L643-I647 WeakPolarHBondContact O-CG1 3.46Å; L643-I647 PolarHBondContact O-N 3.24Å; I647-R649 VanDerWaalsContact C-N 3.33Å; I647-R649 PolarHBondContact O-N 3.12Å
648	S	43.1	Very low	51.8	Low	99 Å²	99	121.2 Å²	121.2	69%	0.692	67%	0.672	S	S	*	*			trans	-77.5	71.7	179.4	-166	0	0	0	0	113.7	T644	T644-S648 VanDerWaalsContact O-CB 3.31Å; T644-S648 WeakPolarHBondContact O-CB 3.47Å; T644-S648 PolarHBondContact O-N 2.85Å; T644-S648 VanDerWaalsContact O-N 3.08Å
649	R	40.3	Very low	49.8	Very low	232 Å²	232	125.6 Å²	125.6	88%	0.875	69%	0.692	S	S	*	*	S	Bend	trans	-127.2	82.8	164.1	-77.7	-166.3	178	-172.7	2.8	111.7	I647	I647-R649 VanDerWaalsContact C-N 3.33Å; I647-R649 PolarHBondContact O-N 3.12Å
650	K	36.4	Very low	47.8	Very low	199 Å²	199	133.2 Å²	133.2	87%	0.865	71%	0.711	S	S	*	*			trans	63.1	133.6	177.2	-64.6	-177.2	173.9	-177.5	0	115.6
651	P	39.5	Very low	45.8	Very low	116 Å²	116	137 Å²	137	75%	0.753	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-67.8	146.9	160.4	31.6	-33.1	0	0	0	109.6	S653	P651-S653 PolarHBondContact O-N 3.08Å
652	P	44.7	Very low	44.3	Very low	129 Å²	129	135.2 Å²	135.2	84%	0.838	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-68.9	126.6	174.7	29	-33.8	0	0	0	110.5
653	S	37.5	Very low	42.7	Very low	108 Å²	108	135.3 Å²	135.3	76%	0.755	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-74.7	138.1	163.8	51	0	0	0	0	109.5	P651	P651-S653 PolarHBondContact O-N 3.08Å
654	P	34.1	Very low	41.1	Very low	115 Å²	115	135.7 Å²	135.7	75%	0.747	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-71.4	169.9	177.5	32.1	-36.4	0	0	0	112.1
655	A	39.4	Very low	40	Very low	79 Å²	79	139.5 Å²	139.5	65%	0.653	76%	0.763	S	S	*	*			trans	68.3	88.9	172.3	0	0	0	0	0	117.4	P290	P290-A655 HydrophobicContact CB-CB 4.23Å; P290-A655 HydrophobicContact CG-CB 4.2Å
656	S	42.5	Very low	39.3	Very low	107 Å²	107	142.2 Å²	142.2	75%	0.748	77%	0.771	S	S	*	*			trans	-158.1	114.8	133.1	60.1	0	0	0	0	111.6
657	T	39.1	Very low	38.5	Very low	127 Å²	127	142.2 Å²	142.2	78%	0.779	77%	0.772	S	S	*	*			trans	48.4	89.2	141.4	-41.1	0	0	0	0	115.8
658	F	32.1	Very low	37.6	Very low	184 Å²	184	143 Å²	143	81%	0.807	78%	0.777	S	S	*	*				38.7	80.1	68.9	-159.8	-81.3	0	0	0	113.2
659	N	36.5	Very low	37.4	Very low	136 Å²	136	143.8 Å²	143.8	73%	0.727	78%	0.778	S	S	*	*			trans	-172.4	163.4	130.9	-110.1	-59.7	0	0	0	113.4
660	R	33.6	Very low	37	Very low	223 Å²	223	143.1 Å²	143.1	84%	0.842	78%	0.777	S	S	*	*			trans	62.2	78.5	160.1	-158.6	164.5	-70.5	165.7	-0.7	116.8	D662	R660-D662 PolarHBondContact O-N 3.16Å
661	F	32.2	Very low	37	Very low	194 Å²	194	137.6 Å²	137.6	85%	0.851	77%	0.768	S	S	*	*				-47.7	128.3	124.2	-82.4	-112.4	0	0	0	108.1
662	D	37.1	Very low	36.9	Very low	133 Å²	133	141.6 Å²	141.6	71%	0.711	77%	0.774	S	S	*	*				-178.7	137.8	113.2	-99.3	-37.6	0	0	0	114	R660	R660-D662 PolarHBondContact O-N 3.16Å
663	Q	36.2	Very low	36.6	Very low	179 Å²	179	143.2 Å²	143.2	84%	0.836	78%	0.776	S	S	*	*			trans	69	155.3	154.7	-65.5	-174.6	5.7	0	0	120.4
664	P	35.3	Very low	36.8	Very low	123 Å²	123	143.7 Å²	143.7	80%	0.799	78%	0.776	S	S	*	*			trans	-121.6	176.4	-150	30.2	-9.1	0	0	0	116.3
665	L	38.1	Very low	36.9	Very low	166 Å²	166	143.2 Å²	143.2	87%	0.869	78%	0.775	S	S	*	*			trans	-78.4	153.5	-175.1	-152.8	81.5	0	0	0	114.1
666	P	38.9	Very low	36.7	Very low	109 Å²	109	146.8 Å²	146.8	71%	0.708	78%	0.783	S	S	*	*			trans	-128.7	121.3	147.2	34.2	-20.9	0	0	0	114.3
667	S	36.3	Very low	36.3	Very low	94 Å²	94	152.4 Å²	152.4	66%	0.657	79%	0.788	S	S	*	*				47.5	140.9	124.6	-37.9	0	0	0	0	124.8
668	D	37.7	Very low	36	Very low	151 Å²	151	153 Å²	153	81%	0.807	79%	0.786	S	S	*	*				111.4	122.8	126.7	-73.9	-22.8	0	0	0	124.9
669	T	37.4	Very low	36.2	Very low	115 Å²	115	153.2 Å²	153.2	71%	0.706	79%	0.789	S	S	*	*			trans	93.5	90.4	134.8	-59.1	0	0	0	0	123
670	Y	32.9	Very low	36	Very low	218 Å²	218	152.9 Å²	152.9	86%	0.855	79%	0.788	S	S	*	*				48.6	126.7	122.1	-76.7	-79.8	0	0	0	125.8
671	A	35.7	Very low	36	Very low	83 Å²	83	150.1 Å²	150.1	69%	0.686	79%	0.79	S	S	*	*				79.3	126	125.8	0	0	0	0	0	123.5
672	K	37.8	Very low	35.8	Very low	200 Å²	200	149.9 Å²	149.9	87%	0.87	79%	0.791	S	S	*	*				-178.3	117.2	108.1	-98.1	167.2	-175.8	173.6	0	115.4
673	N	38.7	Very low	35.6	Very low	164 Å²	164	153.2 Å²	153.2	88%	0.877	80%	0.8	S	S	*	*			trans	43.4	160.8	139.9	-79.4	2.4	0	0	0	125.3
674	P	40.2	Very low	35.4	Very low	117 Å²	117	155.8 Å²	155.8	76%	0.76	80%	0.803	S	S	*	*			trans	-126.3	176.4	-157.8	44	-30.4	0	0	0	116.3
675	S	36.4	Very low	35.4	Very low	105 Å²	105	155.6 Å²	155.6	73%	0.734	80%	0.802	S	S	*	*			trans	-174.7	168.4	140.6	53	0	0	0	0	112.8
676	L	36.9	Very low	35.2	Very low	155 Å²	155	156.5 Å²	156.5	81%	0.812	80%	0.804	S	S	*	*			trans	70	143.4	171.8	-58.5	163.7	0	0	0	117.1
677	R	33.7	Very low	34.6	Very low	224 Å²	224	160 Å²	160	85%	0.845	81%	0.811	S	S	*	*			cis	-159.3	150.7	-24.1	-169.3	171.7	-177	172.9	0.2	109.2
678	N	33	Very low	34.5	Very low	141 Å²	141	164.8 Å²	164.8	75%	0.754	83%	0.825	S	S	*	*			trans	-43.9	144.8	-176	-54.5	-3.6	0	0	0	117
679	Q	36.1	Very low	34.3	Very low	187 Å²	187	164 Å²	164	87%	0.874	83%	0.826	S	S	*	*				-164.1	121.4	106.7	-104.6	177.2	20.9	0	0	115.3
680	N	32.8	Very low	33.9	Very low	130 Å²	130	166.3 Å²	166.3	70%	0.695	83%	0.833	S	S	*	*			trans	11.9	122.5	152.1	-49.2	-0.4	0	0	0	120.9
681	N	32.3	Very low	34	Very low	165 Å²	165	162.5 Å²	162.5	88%	0.882	83%	0.833	S	S	*	*				-174.1	135.9	95.9	-97.1	-30.8	0	0	0	112.7
682	E	29.3	Very low	33.8	Very low	188 Å²	188	168.1 Å²	168.1	88%	0.879	84%	0.842	S	S	*	*			trans	-102.4	147.2	-179.4	-61.9	175.3	93.3	0	0	113
683	K	31.8	Very low	33.5	Very low	204 Å²	204	162 Å²	162	89%	0.887	84%	0.835	S	S	*	*				-167.8	118.7	128.2	-112.8	167.2	-176.4	170.4	0	113.5
684	Y	32.5	Very low	33.2	Very low	233 Å²	233	162.6 Å²	162.6	91%	0.914	83%	0.832	S	S	*	*			trans	-118.4	160	161.5	-86.4	-79.4	0	0	0	109.9
685	P	35.6	Very low	33	Very low	118 Å²	118	163.2 Å²	163.2	77%	0.766	83%	0.828	S	S	*	*			trans	-95.5	165.8	-168.8	37.9	-35.8	0	0	0	113.7
686	M	32.7	Very low	32.8	Very low	186 Å²	186	166.2 Å²	166.2	92%	0.916	83%	0.831	S	S	*	*			trans	-147.2	149.3	164.5	-156	172.5	-71.7	0	0	112
687	Q	25.9	Very low	32.6	Very low	183 Å²	183	165.8 Å²	165.8	86%	0.855	82%	0.824	S	S	*	*			trans	-79.5	159.6	169.5	-59.6	167.5	-78.2	0	0	110.3
688	M	34.8	Very low	32.6	Very low	193 Å²	193	163.4 Å²	163.4	95%	0.951	82%	0.82	S	S	*	*			trans	-148.1	150.9	154.4	-123.7	177.5	-174.3	0	0	113.1
689	T	33.3	Very low	32.7	Very low	134 Å²	134	162.7 Å²	162.7	82%	0.822	82%	0.821	S	S	*	*			trans	-94.3	154	-168.7	-50.4	0	0	0	0	111.8
690	L	29	Very low	32.5	Very low	164 Å²	164	158.4 Å²	158.4	86%	0.859	81%	0.811	S	S	*	*			trans	-74.5	125.4	-176.5	-163.9	101.8	0	0	0	113
691	T	36	Very low	32.6	Very low	138 Å²	138	161.7 Å²	161.7	85%	0.847	82%	0.82	S	S	*	*			trans	-129	165.4	160.8	53.1	0	0	0	0	110.6
692	K	31.3	Very low	32.8	Very low	202 Å²	202	162.6 Å²	162.6	88%	0.878	82%	0.818	S	S	*	*			trans	-131.6	109.6	-146.8	-178.3	-170.3	177.5	-171.4	0	114
693	G	30.8	Very low	33	Very low	70 Å²	70	157.2 Å²	157.2	72%	0.722	81%	0.813	S	S	*	*			trans	81.9	125.8	146	0	0	0	0	0	118.8
694	Q	33.6	Very low	33	Very low	177 Å²	177	157.4 Å²	157.4	83%	0.827	81%	0.814	S	S	*	*				-174.9	118.2	128.7	-96.5	-170.2	-62	0	0	105.9
695	I	34.5	Very low	33.1	Very low	131 Å²	131	156.5 Å²	156.5	67%	0.672	82%	0.815	S	S	*	*				98	127.3	72.5	-85	-176.5	0	0	0	110.7
696	E	33.6	Very low	32.8	Very low	168 Å²	168	158.6 Å²	158.6	79%	0.785	82%	0.82	S	S	*	*			trans	70	148.6	164.9	-74.6	177.1	-141	0	0	120
697	H	32.7	Very low	32.7	Very low	145 Å²	145	159.8 Å²	159.8	67%	0.671	82%	0.819	S	S	*	*			cis	-156.3	171.2	-13.8	-141.2	-57.2	0	0	0	111.3
698	K	33.2	Very low	33	Very low	174 Å²	174	156.9 Å²	156.9	76%	0.757	82%	0.82	S	S	*	*			trans	81.2	104.9	156.1	-72.5	169.2	-175.8	175.1	0	116.8
699	T	34.5	Very low	32.8	Very low	126 Å²	126	159 Å²	159	77%	0.773	82%	0.817	S	S	*	*				79.7	143.8	73.8	56.6	0	0	0	0	114.9
700	S	32.2	Very low	32.7	Very low	97 Å²	97	164.2 Å²	164.2	68%	0.678	82%	0.822	S	S	*	*			cis	-172	147.5	-14.3	179.4	0	0	0	0	110.2
701	K	35.8	Very low	32.8	Very low	200 Å²	200	164.5 Å²	164.5	87%	0.87	82%	0.821	S	S	*	*			trans	164	95.9	156	-95.8	164.2	-177	-179.7	0	108.2
702	Q	35.5	Very low	32.6	Very low	184 Å²	184	162.6 Å²	162.6	86%	0.86	82%	0.819	S	S	*	*				85.7	104.1	51.2	-167.9	177.4	6.5	0	0	113.1
703	G	32.9	Very low	32.7	Very low	74 Å²	74	160 Å²	160	76%	0.763	82%	0.82	S	S	*	*			trans	170.8	72.7	178	0	0	0	0	0	119.1
704	K	33.4	Very low	32.6	Very low	208 Å²	208	160.3 Å²	160.3	90%	0.904	82%	0.815	S	S	*	*	S	Bend	trans	47.7	95.5	153.5	-61.1	176.4	178	176.2	0	120.1
705	K	33.1	Very low	32.7	Very low	215 Å²	215	157.3 Å²	157.3	94%	0.935	81%	0.814	S	S	*	*				178.2	73.9	124.7	-101.8	178.5	179	178.8	0	112.9
706	D	30	Very low	32.4	Very low	162 Å²	162	154.4 Å²	154.4	87%	0.866	82%	0.816	S	S	*	*			trans	-108.6	101.9	178.9	-118.7	-46.5	0	0	0	112.8
707	K	30.4	Very low	32.4	Very low	210 Å²	210	155.4 Å²	155.4	91%	0.913	82%	0.819	S	S	*	*			trans	-162.9	3.5	158.5	-135.3	175	-178.5	177.9	0	115.7
708	S	31.8	Very low	32.3	Very low	123 Å²	123	154.1 Å²	154.1	86%	0.86	82%	0.823	S	S	*	*			trans	-107.5	41.8	-169.9	-155.9	0	0	0	0	114
709	R	31.7	Very low	32.3	Very low	237 Å²	237	150.6 Å²	150.6	89%	0.894	83%	0.826	S	S	*	*	S	Bend	trans	-142.9	26.8	177	-121.6	177.3	-172.1	-169	2.1	116.1
710	R	30.9	Very low	32.3	Very low	244 Å²	244	148.5 Å²	148.5	92%	0.921	82%	0.821	S	S	*	*	S	Bend	trans	-130.1	27.1	163.7	-69.7	-168	-179.4	-178.2	1.6	113.2
711	M	31.3	Very low	32.2	Very low	170 Å²	170	150.8 Å²	150.8	84%	0.837	83%	0.826	S	S	*	*			trans	-140.6	83.6	171.1	-74.9	-174.8	170.9	0	0	109.9
712	A	31.2	Very low	32.1	Very low	98 Å²	98	149.6 Å²	149.6	81%	0.81	83%	0.828	S	S	*	*			trans	-119.3	-13.3	165.9	0	0	0	0	0	112	A714	A712-A714 PolarHBondContact O-N 3.11Å; A712-A714 VanDerWaalsContact O-N 3.13Å
713	T	33.2	Very low	32	Very low	148 Å²	148	144.7 Å²	144.7	91%	0.908	82%	0.818	S	S	*	*	S	Bend	trans	-82.5	43.5	169.5	49.4	0	0	0	0	111.4
714	A	28.7	Very low	31.8	Very low	75 Å²	75	146.4 Å²	146.4	62%	0.62	81%	0.814	S	S	*	*			trans	-157.2	73.4	-174.5	0	0	0	0	0	112.1	A712	A712-A714 PolarHBondContact O-N 3.11Å; A712-A714 VanDerWaalsContact O-N 3.13Å
715	S	35.7	Very low	31.6	Very low	115 Å²	115	145.1 Å²	145.1	80%	0.804	81%	0.812	S	S	*	*			trans	-150.2	110	165	49.7	0	0	0	0	113.2
716	G	29.1	Very low	31.5	Very low	69 Å²	69	144 Å²	144	71%	0.711	81%	0.812	S	S	*	*	S	Bend	trans	59.2	75.1	150.6	0	0	0	0	0	119.7
717	F	33.9	Very low	31.7	Very low	190 Å²	190	142 Å²	142	83%	0.833	81%	0.805	S	S	*	*				173.6	125.6	109.5	-100.1	-70.9	0	0	0	111.1	A719	F717-A719 PolarHBondContact O-N 3.05Å
718	P	29.9	Very low	31.9	Very low	118 Å²	118	138.4 Å²	138.4	77%	0.766	79%	0.791	S	S	*	*			trans	-79.3	108.6	177.3	30.8	-32.9	0	0	0	111.5
719	A	33.4	Very low	31.8	Very low	100 Å²	100	138.5 Å²	138.5	83%	0.826	79%	0.789	S	S	*	*			trans	-128.9	11.9	166	0	0	0	0	0	112.4	F717	F717-A719 PolarHBondContact O-N 3.05Å
720	A	33.4	Very low	32.2	Very low	81 Å²	81	132.5 Å²	132.5	67%	0.669	78%	0.778	S	S	*	*			trans	-118	11.1	-171.3	0	0	0	0	0	113.9
721	L	31.2	Very low	32.5	Very low	146 Å²	146	126.8 Å²	126.8	76%	0.764	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.3	22.5	-177.4	-126	168.9	0	0	0	113.6
722	L	32.7	Very low	32.6	Very low	175 Å²	175	129.2 Å²	129.2	92%	0.916	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.2	28.2	157	-77.3	174.8	0	0	0	110.3
723	A	33.4	Very low	32.8	Very low	80 Å²	80	134.7 Å²	134.7	66%	0.661	77%	0.772	S	S	*	*			trans	-113.1	31.9	176.5	0	0	0	0	0	111.5
724	T	30.5	Very low	32.9	Very low	110 Å²	110	130.9 Å²	130.9	68%	0.675	76%	0.762	S	S	*	*			trans	-75	118.5	170	45.8	0	0	0	0	109.8
725	E	28.4	Very low	33.3	Very low	182 Å²	182	133.7 Å²	133.7	85%	0.85	77%	0.771	S	S	*	*			trans	37.4	89.4	160.3	-58.9	-159.9	120.2	0	0	118.7
726	M	31.6	Very low	33.1	Very low	191 Å²	191	133.7 Å²	133.7	94%	0.941	77%	0.768	S	S	*	*			trans	-136.9	96.4	141.4	-73.6	-161.6	-174.4	0	0	110.6
727	V	33	Very low	33.5	Very low	119 Å²	119	138.3 Å²	138.3	72%	0.721	78%	0.776	S	S	*	*			trans	-64.1	136.9	168.4	174.2	0	0	0	0	109.3	P729	V727-P729 WeakPolarHBondContact O-CD 3.35Å; V727-P729 VanDerWaalsContact O-N 3.13Å
728	H	34.6	Very low	33.6	Very low	136 Å²	136	137.4 Å²	137.4	63%	0.63	78%	0.778	S	S	*	*			trans	-59.5	108.8	-176.2	-156.8	-111.6	0	0	0	111.7	V730 D731	H728-V730 VanDerWaalsContact C-N 3.29Å; H728-V730 PolarHBondContact O-N 3.37Å; H728-D731 IonicContact CE1-OD2 2.71Å; H728-D731 IonicContact ND1-OD2 3.1Å; H728-D731 PolarHBondContact ND1-OD2 3.34Å
729	P	30.4	Very low	34	Very low	124 Å²	124	136.5 Å²	136.5	81%	0.805	78%	0.781	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	55.5	-165.5	36.7	-35.8	0	0	0	112.3	V727	V727-P729 WeakPolarHBondContact O-CD 3.35Å; V727-P729 VanDerWaalsContact O-N 3.13Å
730	V	40.1	Very low	34.1	Very low	111 Å²	111	136 Å²	136	67%	0.673	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.6	-43.6	178.2	-171.9	0	0	0	0	112.9	H728 R732	H728-V730 VanDerWaalsContact C-N 3.29Å; H728-V730 PolarHBondContact O-N 3.37Å; V730-R732 PolarHBondContact O-N 2.91Å
731	D	36.5	Very low	34.3	Very low	124 Å²	124	139 Å²	139	66%	0.663	79%	0.787	S	S	*	*	S	Bend	trans	-95.5	17.7	-161.1	-54.8	-68.7	0	0	0	115.4	H728	H728-D731 IonicContact CE1-OD2 2.71Å; H728-D731 IonicContact ND1-OD2 3.1Å; H728-D731 PolarHBondContact ND1-OD2 3.34Å
732	R	34.8	Very low	34.6	Very low	221 Å²	221	143.1 Å²	143.1	83%	0.834	79%	0.792	S	S	*	*	S	Bend	trans	-96.5	10.5	-173.9	-143.4	177	-174.4	173.6	2.3	116	V730	V730-R732 PolarHBondContact O-N 2.91Å
733	F	34	Very low	34.9	Very low	213 Å²	213	144.1 Å²	144.1	93%	0.934	79%	0.789	S	S	*	*			trans	-129.7	68.2	173.2	-72.5	-74.2	0	0	0	111.7
734	G	35.4	Very low	35.2	Very low	68 Å²	68	145.9 Å²	145.9	70%	0.701	79%	0.794	S	S	*	*			trans	-129.1	94.6	172.7	0	0	0	0	0	110.9
735	V	37.6	Very low	35.6	Very low	134 Å²	134	146.4 Å²	146.4	81%	0.812	80%	0.799	S	S	*	*			trans	-68.5	131	178	177.8	0	0	0	0	109.7	L737	V735-L737 PolarHBondContact O-N 3.37Å
736	P	31.6	Very low	36.1	Very low	115 Å²	115	142.5 Å²	142.5	75%	0.747	79%	0.792	S	S	*	*			trans	-78.1	118	-179.6	30.7	-33.5	0	0	0	111
737	L	37	Very low	36.6	Very low	166 Å²	166	141 Å²	141	87%	0.869	79%	0.787	S	S	*	*			trans	-127.7	115.7	164.1	-87.3	175	0	0	0	111.5	V735	V735-L737 PolarHBondContact O-N 3.37Å
738	I	37	Very low	36.9	Very low	171 Å²	171	140.5 Å²	140.5	88%	0.877	79%	0.786	S	S	*	*			trans	-84.7	123.3	175.2	-61.7	159.8	0	0	0	108.2
739	A	37.8	Very low	37.1	Very low	100 Å²	100	139.6 Å²	139.6	83%	0.826	80%	0.795	S	S	*	*			trans	-167.1	132.9	148.6	0	0	0	0	0	110.5
740	A	35.3	Very low	37.4	Very low	89 Å²	89	145.6 Å²	145.6	74%	0.736	80%	0.801	S	S	*	*			trans	-109	137.3	159	0	0	0	0	0	108.1
741	T	37.2	Very low	37.2	Very low	144 Å²	144	145.4 Å²	145.4	88%	0.883	81%	0.805	S	S	*	*				-176.8	159.6	128.4	24.1	0	0	0	0	114.8
742	R	38.7	Very low	37.3	Very low	233 Å²	233	144.6 Å²	144.6	88%	0.879	81%	0.809	S	S	*	*			trans	-36.6	146.2	176.9	-59.9	166.4	176.7	174	-2.4	118.7
743	K	38.2	Very low	37.5	Very low	195 Å²	195	137.8 Å²	137.8	85%	0.848	80%	0.796	S	S	*	*			trans	-42.7	157.8	146.4	-96.6	-176.7	178.5	-175.6	0	112.6
744	P	39.2	Very low	37.6	Very low	118 Å²	118	138.3 Å²	138.3	77%	0.766	79%	0.791	S	S	*	*				-137.4	-127.5	55.5	30.4	-3.6	0	0	0	116.7
745	P	39.9	Very low	37.7	Very low	121 Å²	121	145.3 Å²	145.3	79%	0.786	80%	0.798	S	S	*	*				-122.4	-162.6	-108.5	41.7	-24.4	0	0	0	116.4
746	S	37.3	Very low	37.8	Very low	100 Å²	100	142.9 Å²	142.9	70%	0.699	79%	0.787	S	S	*	*			trans	-94	175.7	-159.7	52.1	0	0	0	0	118.1
747	L	43.4	Very low	38	Very low	158 Å²	158	145.4 Å²	145.4	83%	0.827	79%	0.789	S	S	*	*			trans	110.3	160.8	163	-58	170.4	0	0	0	114.8
748	P	39.9	Very low	38	Very low	110 Å²	110	148.2 Å²	148.2	71%	0.714	79%	0.788	S	S	*	*				-136.7	174.5	-77.2	38.2	-19	0	0	0	116.7
749	S	37.8	Very low	38.1	Very low	116 Å²	116	144.9 Å²	144.9	81%	0.811	78%	0.78	S	S	*	*			trans	-14.2	141	166.3	58.4	0	0	0	0	122
750	R	36.2	Very low	38.1	Very low	250 Å²	250	151.3 Å²	151.3	94%	0.943	78%	0.783	S	S	*	*			trans	-149.1	163	138.4	-157.1	165	-178.3	177.8	0.3	112.3
751	S	36	Very low	38.1	Very low	108 Å²	108	152.1 Å²	152.1	76%	0.755	78%	0.783	S	S	*	*			trans	-127.6	147.7	-160.7	56.9	0	0	0	0	115.7
752	S	39.8	Very low	38.2	Very low	107 Å²	107	155.8 Å²	155.8	75%	0.748	78%	0.781	S	S	*	*			trans	-161.2	134.4	146.8	-172.5	0	0	0	0	107.6
753	S	37.4	Very low	38.2	Very low	78 Å²	78	151.8 Å²	151.8	55%	0.545	77%	0.772	S	S	.	*			cis	105.6	132.4	20.1	92.6	0	0	0	0	114.2
754	R	37.3	Very low	38.3	Very low	224 Å²	224	153.3 Å²	153.3	85%	0.845	77%	0.772	S	S	*	*			trans	73.1	150.7	174.8	-64.9	175.8	-108.1	-150.7	-4.4	115.2
755	Y	37.3	Very low	38.2	Very low	214 Å²	214	153.2 Å²	153.2	84%	0.839	78%	0.775	S	S	*	*			cis	-147.7	163.6	11.7	-154.4	-126.3	0	0	0	115.2
756	S	39.1	Very low	38.4	Very low	84 Å²	84	156.7 Å²	156.7	59%	0.587	78%	0.78	S	S	*	*			trans	-7.4	148.2	169.7	-170	0	0	0	0	124.4
757	Q	35.8	Very low	39	Very low	167 Å²	167	157 Å²	157	78%	0.78	78%	0.782	S	S	*	*			trans	-21	152.8	145.8	-51	173.7	-1.1	0	0	115.8
758	R	36.9	Very low	39.6	Very low	226 Å²	226	155.5 Å²	155.5	85%	0.853	78%	0.782	S	S	*	*				-173.4	171.9	57.8	-160	174.7	-174.1	-179.1	2.8	113.2
759	S	38.7	Very low	40.1	Very low	101 Å²	101	155.8 Å²	155.8	71%	0.706	79%	0.785	S	S	*	*			trans	74.2	108.1	153.7	43.4	0	0	0	0	124.1
760	R	38	Very low	40.2	Very low	234 Å²	234	156.1 Å²	156.1	88%	0.883	78%	0.784	S	S	*	*				71.5	117.5	125.4	-73.3	-176	169.2	168.5	-3.8	123.7
761	S	35.5	Very low	40.6	Very low	107 Å²	107	152 Å²	152	75%	0.748	78%	0.779	S	S	*	*				87.4	142.8	125.7	69	0	0	0	0	121.9
762	R	38.9	Very low	40.9	Very low	220 Å²	220	152.6 Å²	152.6	83%	0.83	78%	0.78	S	S	*	*			trans	63.5	145.7	-175	-69.3	-177.2	136.4	108.2	-1.8	113.8
763	E	40.6	Very low	40.6	Very low	149 Å²	149	156.8 Å²	156.8	70%	0.696	79%	0.788	S	S	*	*			cis	-159.6	169.2	-5.1	-104.5	155.3	177.9	0	0	105.6
764	R	38.5	Very low	40.7	Very low	227 Å²	227	165.1 Å²	165.1	86%	0.857	81%	0.807	S	S	*	*			cis	-160	136.2	-24.3	179.2	177.3	-172.1	161.8	0.9	105
765	S	38.5	Very low	40.7	Very low	117 Å²	117	159.9 Å²	159.9	82%	0.818	81%	0.805	S	S	*	*			trans	-99.2	139.4	-176.9	-53.3	0	0	0	0	111.9
766	E	43	Very low	40.8	Very low	193 Å²	193	156.1 Å²	156.1	90%	0.902	81%	0.807	S	S	*	*			trans	-103	141.2	166.2	-69.6	-170.8	122.7	0	0	110.7
767	S	49.5	Very low	40.6	Very low	106 Å²	106	155.6 Å²	155.6	74%	0.741	82%	0.815	S	S	*	*			trans	-159.9	136.4	173.9	-67.7	0	0	0	0	108
768	P	57.8	Low	40.5	Very low	127 Å²	127	153.2 Å²	153.2	83%	0.825	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-70.7	148.5	-177.7	28.7	-34.3	0	0	0	111.9
769	P	50.5	Low	40.5	Very low	117 Å²	117	150 Å²	150	76%	0.76	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-82.7	156.5	-170.5	33.2	-36.7	0	0	0	114.1
770	P	39.4	Very low	40.2	Very low	123 Å²	123	151 Å²	151	80%	0.799	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-80.8	151.8	171	34.4	-34.7	0	0	0	112.3
771	I	45	Very low	39.9	Very low	164 Å²	164	150.7 Å²	150.7	84%	0.841	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-92	133.7	175.1	-60.8	175.9	0	0	0	109.5
772	P	40.4	Very low	39.8	Very low	120 Å²	120	150.5 Å²	150.5	78%	0.779	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-81.6	153.2	-174.4	-11.5	28.9	0	0	0	114.5
773	Q	34	Very low	39.4	Very low	195 Å²	195	149.2 Å²	149.2	91%	0.911	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-79.3	155.4	163	-65.2	176.1	-43.7	0	0	111.1
774	R	38.9	Very low	39.1	Very low	252 Å²	252	147.3 Å²	147.3	95%	0.951	81%	0.811	S	S	*	*			trans	-144.6	146.6	160.9	-123.9	-179.3	-175.3	-168.6	0	111.7
775	S	37.9	Very low	38.9	Very low	114 Å²	114	144.8 Å²	144.8	80%	0.797	81%	0.814	S	S	*	*			trans	-93.8	168.7	-175.4	-54.6	0	0	0	0	111.6
776	P	38.8	Very low	38.7	Very low	136 Å²	136	146.3 Å²	146.3	88%	0.883	80%	0.802	S	S	*	*			trans	-88.4	161.8	-159.9	35.6	-36.5	0	0	0	114.9
777	G	36.5	Very low	38.3	Very low	73 Å²	73	145.9 Å²	145.9	75%	0.753	80%	0.8	S	S	*	*			trans	178.5	115.8	170	0	0	0	0	0	114.1
778	C	34	Very low	37.5	Very low	116 Å²	116	145.7 Å²	145.7	78%	0.784	80%	0.799	S	S	*	*			trans	35.1	119.4	155.8	-58.3	0	0	0	0	123.1
779	E	35.2	Very low	36.3	Very low	160 Å²	160	146.1 Å²	146.1	75%	0.748	79%	0.793	S	S	*	*				77	114.6	118.3	-68.6	-179.5	-174.2	0	0	123.9
780	N	34	Very low	35.4	Very low	121 Å²	121	146.8 Å²	146.8	65%	0.647	78%	0.783	S	S	*	*				84.7	140.2	129.1	-60.6	-22.9	0	0	0	122
781	Y	31.3	Very low	35.1	Very low	227 Å²	227	148 Å²	148	89%	0.89	78%	0.783	S	S	*	*			trans	67.6	143.3	175.2	-59.2	-79	0	0	0	117
782	S	33.4	Very low	34.5	Very low	104 Å²	104	149 Å²	149	73%	0.727	78%	0.782	S	S	*	*			cis	-142.9	158.2	0.1	-173.7	0	0	0	0	112.2
783	F	30.9	Very low	34	Very low	192 Å²	192	148.5 Å²	148.5	84%	0.842	77%	0.769	S	S	*	*			trans	-55.5	136.2	159.5	-104.3	-125	0	0	0	111.4
784	S	32.9	Very low	33.7	Very low	110 Å²	110	147.9 Å²	147.9	77%	0.769	77%	0.766	S	S	*	*				171.3	90.7	129.7	-75.6	0	0	0	0	111.8
785	D	36	Very low	33.2	Very low	173 Å²	173	145 Å²	145	93%	0.925	76%	0.763	S	S	*	*			trans	179.8	95.5	150.1	-100.8	-24.2	0	0	0	110
786	R	32.4	Very low	32.9	Very low	149 Å²	149	143.9 Å²	143.9	56%	0.562	76%	0.755	S	S	*	*			trans	-151.5	61.3	177.6	-160.4	179	-178.7	-175.5	2.3	112.8	E793	R786-E793 IonicContact CZ-OE1 3.83Å; R786-E793 IonicContact CZ-OE2 3.85Å; R786-E793 IonicContact NH2-OE1 2.68Å; R786-E793 PolarHBondContact NH2-OE1 2.68Å; R786-E793 IonicContact NH2-OE2 2.69Å; R786-E793 PolarHBondContact NH2-OE2 2.69Å
787	Q	34.9	Very low	32.4	Very low	184 Å²	184	145.4 Å²	145.4	86%	0.86	75%	0.75	S	S	*	*			trans	-127.6	31.7	-173.1	-144.8	75.7	20.3	0	0	115
788	S	33.8	Very low	32.1	Very low	103 Å²	103	150.8 Å²	150.8	72%	0.72	76%	0.756	S	S	*	*	S	Bend	trans	-153.3	155.6	159.6	-165.9	0	0	0	0	109.3
789	I	32.3	Very low	31.9	Very low	136 Å²	136	151 Å²	151	70%	0.697	76%	0.758	S	S	*	*			trans	60.3	83.2	-171.9	-45.6	173.3	0	0	0	111.8
790	K	31.5	Very low	31.4	Very low	130 Å²	130	147.9 Å²	147.9	57%	0.565	76%	0.755	S	S	*	*			trans	-119.7	-4.2	166	-89.9	-173.7	171.7	178.4	0	113.9	F792	K790-F792 PolarHBondContact O-N 3.48Å
791	D	33	Very low	31.2	Very low	149 Å²	149	147 Å²	147	80%	0.797	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.3	19.1	-164.2	-44	-72.3	0	0	0	113.7
792	F	31.8	Very low	31.3	Very low	184 Å²	184	140.1 Å²	140.1	81%	0.807	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.7	3.1	178.8	-104.8	-88.2	0	0	0	114.1	K790 H794	K790-F792 PolarHBondContact O-N 3.48Å; F792-H794 VanDerWaalsContact C-N 3.32Å; F792-H794 PolarHBondContact O-N 3Å
793	E	29.8	Very low	31.3	Very low	111 Å²	111	143.7 Å²	143.7	52%	0.519	73%	0.73	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90	13.6	-170.9	-141.7	168.3	144.7	0	0	113.6	R786	R786-E793 IonicContact CZ-OE1 3.83Å; R786-E793 IonicContact CZ-OE2 3.85Å; R786-E793 IonicContact NH2-OE1 2.68Å; R786-E793 PolarHBondContact NH2-OE1 2.68Å; R786-E793 IonicContact NH2-OE2 2.69Å; R786-E793 PolarHBondContact NH2-OE2 2.69Å
794	H	29.5	Very low	31.4	Very low	182 Å²	182	138.7 Å²	138.7	84%	0.843	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.4	14.9	-169.5	-103.9	-49.7	0	0	0	116.1	F792	F792-H794 VanDerWaalsContact C-N 3.32Å; F792-H794 PolarHBondContact O-N 3Å
795	Q	28.4	Very low	31.4	Very low	192 Å²	192	137.7 Å²	137.7	90%	0.897	70%	0.702	S	S	*	*	S	Bend	trans	-130.6	10	-178.8	-99.1	-177.3	-4.8	0	0	116
796	S	29.7	Very low	31.3	Very low	89 Å²	89	132.7 Å²	132.7	62%	0.622	68%	0.68	S	S	*	*	S	Bend	trans	-111.5	-10.2	-173.6	49.6	0	0	0	0	116.3	H798	S796-H798 VanDerWaalsContact C-N 3.31Å; S796-H798 PolarHBondContact O-N 3.05Å
797	E	29.5	Very low	31.4	Very low	168 Å²	168	129.4 Å²	129.4	79%	0.785	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	-2.1	-173.4	-62.7	-165.3	124.2	0	0	115
798	H	29.9	Very low	31.4	Very low	187 Å²	187	127.1 Å²	127.1	87%	0.866	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.2	38.4	-177.7	-90.5	-76.1	0	0	0	114.5	S796	S796-H798 VanDerWaalsContact C-N 3.31Å; S796-H798 PolarHBondContact O-N 3.05Å
799	S	28.9	Very low	31.3	Very low	120 Å²	120	125 Å²	125	84%	0.839	67%	0.672	S	S	*	*	S	Bend	trans	-156.2	55.6	169.4	-79.9	0	0	0	0	114.1
800	S	26.5	Very low	31.5	Very low	95 Å²	95	124.6 Å²	124.6	66%	0.664	68%	0.678	S	S	*	*			trans	-149.6	21.5	179.8	55.7	0	0	0	0	115.7	I802	S800-I802 PolarHBondContact O-N 2.89Å
801	V	29.5	Very low	31.8	Very low	101 Å²	101	126.3 Å²	126.3	61%	0.612	69%	0.693	S	S	*	*			trans	-94.1	93.6	178.9	-165.6	0	0	0	0	111.5	Y803	V801-Y803 HydrophobicContact CB-CD2 4.4Å; V801-Y803 HydrophobicContact CB-CE2 3.87Å; V801-Y803 HydrophobicContact CG1-CD1 4.24Å; V801-Y803 HydrophobicContact CG1-CD2 3.89Å; V801-Y803 HydrophobicContact CG1-CE1 3.83Å; V801-Y803 HydrophobicContact CG1-CE2 3.44Å; V801-Y803 VanDerWaalsContact CG1-CE2 3.44Å; V801-Y803 HydrophobicContact CG1-CG 4.27Å; V801-Y803 VanDerWaalsContact CG1-CZ 3.41Å; V801-Y803 WeakPolarHBondContact O-CD2 3.27Å; V801-Y803 PolarHBondContact O-N 2.94Å
802	I	33	Very low	31.8	Very low	84 Å²	84	128.7 Å²	128.7	43%	0.431	70%	0.699	S	S	.	*			trans	-78.6	104.5	169.6	-59.1	173.9	0	0	0	108.2	P61 S800	P61-I802 HydrophobicContact CG-CD1 4.44Å; S800-I802 PolarHBondContact O-N 2.89Å
803	Y	33.7	Very low	31.9	Very low	178 Å²	178	129.7 Å²	129.7	70%	0.698	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-84.1	124.4	175.9	-69.8	-83.2	0	0	0	111.1	V801 I805	V801-Y803 HydrophobicContact CB-CD2 4.4Å; V801-Y803 HydrophobicContact CB-CE2 3.87Å; V801-Y803 HydrophobicContact CG1-CD1 4.24Å; V801-Y803 HydrophobicContact CG1-CD2 3.89Å; V801-Y803 HydrophobicContact CG1-CE1 3.83Å; V801-Y803 HydrophobicContact CG1-CE2 3.44Å; V801-Y803 VanDerWaalsContact CG1-CE2 3.44Å; V801-Y803 HydrophobicContact CG1-CG 4.27Å; V801-Y803 VanDerWaalsContact CG1-CZ 3.41Å; V801-Y803 WeakPolarHBondContact O-CD2 3.27Å; V801-Y803 PolarHBondContact O-N 2.94Å; Y803-I805 PolarHBondContact O-N 3.02Å
804	P	31.5	Very low	32	Very low	88 Å²	88	132.3 Å²	132.3	57%	0.571	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-72.1	118.8	171.7	29.1	-32.7	0	0	0	110.2	S806	P804-S806 PolarHBondContact O-N 2.87Å
805	I	34.4	Very low	32	Very low	89 Å²	89	130.2 Å²	130.2	46%	0.456	71%	0.712	S	S	.	*	B	Isolated β-bridge	trans	-79.3	116.9	174.5	-58.1	176.6	0	0	0	108.8	Y803	Y803-I805 PolarHBondContact O-N 3.02Å
806	S	32.8	Very low	32.2	Very low	68 Å²	68	127.5 Å²	127.5	48%	0.476	71%	0.709	S	S	.	*	P	Polyproline II helix	trans	-97.7	129.2	167.3	-70.4	0	0	0	0	110	Q519 P804 T808	Q519-S806 VanDerWaalsContact NE2-CB 3.34Å; Q519-S806 PolarHBondContact NE2-OG 3.31Å; P804-S806 PolarHBondContact O-N 2.87Å; S806-T808 PolarHBondContact O-N 2.86Å
807	P	35.1	Very low	32.1	Very low	79 Å²	79	129.5 Å²	129.5	51%	0.513	71%	0.712	S	S	.	*			trans	-82.1	106.2	171.2	31	-30.9	0	0	0	110.4
808	T	35.6	Very low	32.3	Very low	137 Å²	137	130 Å²	130	84%	0.84	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-77	118.7	163.9	50	0	0	0	0	109.3	S806	S806-T808 PolarHBondContact O-N 2.86Å
809	G	31.9	Very low	32.3	Very low	59 Å²	59	130.1 Å²	130.1	61%	0.608	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-70.4	168.9	166.9	0	0	0	0	0	111.6
810	P	36.3	Very low	32.5	Very low	127 Å²	127	129.3 Å²	129.3	83%	0.825	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-80.2	129.9	175.7	32.5	-31.5	0	0	0	110.7
811	D	36.2	Very low	32.8	Very low	166 Å²	166	134.2 Å²	134.2	89%	0.888	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-82.5	145.2	160.1	-67.1	-53.6	0	0	0	109.3
812	E	33.3	Very low	32.6	Very low	198 Å²	198	133.8 Å²	133.8	93%	0.925	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-86.4	133.9	-176	-60.1	171	120.5	0	0	110.8
813	E	34.5	Very low	32.5	Very low	205 Å²	205	137.1 Å²	137.1	96%	0.958	75%	0.753	S	S	*	*			trans	-143.9	151.3	160.7	-146.3	168.2	-142.5	0	0	110.9
814	E	31.4	Very low	32.2	Very low	166 Å²	166	135 Å²	135	78%	0.776	76%	0.758	S	S	*	*			trans	-114.9	131.4	-142.6	-168.4	178.5	177.2	0	0	114.4
815	I	28.9	Very low	32.3	Very low	138 Å²	138	139.2 Å²	139.2	71%	0.708	77%	0.77	S	S	*	*			trans	30.6	107.6	153	-49.8	168.4	0	0	0	118
816	V	33.1	Very low	31.9	Very low	136 Å²	136	141.9 Å²	141.9	82%	0.824	79%	0.785	S	S	*	*			trans	-135.5	126.5	131.8	-177	0	0	0	0	108.7
817	D	28.5	Very low	31.8	Very low	130 Å²	130	145 Å²	145	70%	0.695	80%	0.796	S	S	*	*			trans	-106.7	120.5	-176	-170.1	4.8	0	0	0	110.8
818	H	33.6	Very low	31.5	Very low	179 Å²	179	148.3 Å²	148.3	83%	0.829	81%	0.805	S	S	*	*			trans	-142.3	108.7	173.9	-92.9	2.9	0	0	0	111.4
819	Q	28.7	Very low	31.1	Very low	189 Å²	189	148.7 Å²	148.7	88%	0.883	81%	0.807	S	S	*	*			trans	-75.5	138.5	171.6	-57.1	174.9	-64.1	0	0	110.9
820	A	34.1	Very low	31	Very low	103 Å²	103	151.6 Å²	151.6	85%	0.851	81%	0.813	S	S	*	*			trans	-146.5	147.5	158.5	0	0	0	0	0	108.8
821	E	32	Very low	30.5	Very low	198 Å²	198	152 Å²	152	93%	0.925	81%	0.808	S	S	*	*			trans	-88.8	166.8	-162.8	-69.8	174.3	105.7	0	0	114.9
822	A	26.8	Very low	30.4	Very low	92 Å²	92	151 Å²	151	76%	0.76	80%	0.801	S	S	*	*			trans	-65.9	144.1	-174.5	0	0	0	0	0	114.1
823	I	30.2	Very low	30.2	Very low	155 Å²	155	149.7 Å²	149.7	80%	0.795	80%	0.795	S	S	*	*			trans	-121	129.4	149.1	-63.1	-179.3	0	0	0	107.1
824	V	28	Very low	30.1	Very low	133 Å²	133	143.2 Å²	143.2	81%	0.806	78%	0.784	S	S	*	*			trans	-99.2	121.9	170.3	173.7	0	0	0	0	107.3
825	E	32.3	Very low	30.2	Very low	177 Å²	177	139.7 Å²	139.7	83%	0.827	78%	0.777	S	S	*	*			trans	-138.5	135.5	170.6	-163.6	154.5	-138.4	0	0	109.3
826	N	26.9	Very low	30.8	Very low	144 Å²	144	141.6 Å²	141.6	77%	0.77	78%	0.78	S	S	*	*			trans	-83.7	151.1	177.1	-53.9	-61.8	0	0	0	109
827	D	29.7	Very low	31.6	Very low	134 Å²	134	141.1 Å²	141.1	72%	0.717	77%	0.769	S	S	*	*				-160.4	157	115.5	-129.4	-29.5	0	0	0	116.6
828	Q	30	Very low	32.9	Very low	149 Å²	149	142.7 Å²	142.7	70%	0.696	77%	0.767	S	S	*	*			trans	35.2	104.1	152.6	-80.1	152.5	66.5	0	0	120.6	V830	Q828-V830 PolarHBondContact O-N 3.02Å
829	T	26	Very low	34.1	Very low	144 Å²	144	139.9 Å²	139.9	88%	0.883	75%	0.754	S	S	*	*			trans	-63.2	107.8	151.2	49.1	0	0	0	0	111.2	N831	T829-N831 PolarHBondContact O-N 2.83Å
830	V	31.2	Very low	36.1	Very low	121 Å²	121	132.6 Å²	132.6	73%	0.733	72%	0.721	S	S	*	*			trans	-78.6	111.4	171.2	-179.8	0	0	0	0	109.8	Q828 I832	Q828-V830 PolarHBondContact O-N 3.02Å; V830-I832 HydrophobicContact CG1-CG1 4.19Å; V830-I832 PolarHBondContact O-N 3.21Å
831	N	26.2	Very low	37.5	Very low	134 Å²	134	134 Å²	134	72%	0.717	72%	0.721	S	S	*	*			trans	-86.7	104.6	-177.6	-164.8	22.6	0	0	0	110.8	T829 Q833	T829-N831 PolarHBondContact O-N 2.83Å; N831-Q833 PolarHBondContact O-N 3.27Å
832	I	32.9	Very low	39	Very low	146 Å²	146	132.5 Å²	132.5	75%	0.749	71%	0.714	S	S	*	*			trans	-94.4	94.7	-179.3	-56.1	-179.4	0	0	0	109.8	V830 G834	V830-I832 HydrophobicContact CG1-CG1 4.19Å; V830-I832 PolarHBondContact O-N 3.21Å; I832-G834 PolarHBondContact O-N 3.09Å
833	Q	28.5	Very low	40.6	Very low	171 Å²	171	130.2 Å²	130.2	80%	0.799	70%	0.699	S	S	*	*			trans	-76.3	100.9	168.3	-73.7	173.5	-98	0	0	109.8	N831	N831-Q833 PolarHBondContact O-N 3.27Å
834	G	32.4	Very low	42.3	Very low	69 Å²	69	126 Å²	126	71%	0.711	68%	0.679	S	S	*	*			trans	-91.7	106	171.9	0	0	0	0	0	111.5	I832	I832-G834 PolarHBondContact O-N 3.09Å
835	S	35.2	Very low	44.1	Very low	91 Å²	91	124.5 Å²	124.5	64%	0.636	67%	0.665	S	S	*	*			trans	-70.9	135.1	165	53	0	0	0	0	110
836	F	39.6	Very low	45.3	Very low	178 Å²	178	122.9 Å²	122.9	78%	0.781	65%	0.652	S	S	*	*			trans	-104.8	122.5	175.4	-133.6	-87.2	0	0	0	109.9
837	E	51.3	Low	46.5	Very low	126 Å²	126	120.3 Å²	120.3	59%	0.589	64%	0.642	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-87.9	141.4	167.9	-74.6	-179.5	128.7	0	0	109.5	I845 T847	E837-I845 HydrophobicContact CB-CG2 4Å; E837-I845 HydrophobicContact CG-CG2 4.02Å; E837-T847 HydrophobicContact CG-CG2 3.61Å
838	Y	54.8	Low	47.2	Very low	163 Å²	163	121.9 Å²	121.9	64%	0.639	65%	0.645	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-130.7	133.3	168.4	-175.2	-93.7	0	0	0	110.5	Y846	Y838-Y846 PolarHBondContact N-O 3.22Å; Y838-Y846 VanDerWaalsContact N-O 3.12Å; Y838-Y846 PolarHBondContact O-N 3.25Å
839	E	58.7	Low	47.6	Very low	120 Å²	120	120.6 Å²	120.6	56%	0.561	64%	0.643	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-102.7	126.6	-178.5	-168.6	176.8	-161.8	0	0	109.8	N844 I845	E839-N844 WeakPolarHBondContact CA-O 3.19Å; E839-I845 HydrophobicContact CB-CG1 4.42Å; E839-I845 HydrophobicContact CG-CG1 4.17Å
840	D	72.4	Confident	48.3	Very low	36 Å²	36	122 Å²	122	19%	0.193	64%	0.639	C	S	.	*			trans	-79.6	168.3	-179.2	86.8	-8.1	0	0	0	112.8	Q842 G843 N844 Y846	D840-Q842 PolarHBondContact O-N 2.93Å; D840-Q842 VanDerWaalsContact OD1-C 3.31Å; D840-Q842 VanDerWaalsContact OD1-CA 3.27Å; D840-Q842 WeakPolarHBondContact OD1-CA 3.31Å; D840-Q842 WeakPolarHBondContact OD1-CB 3.38Å; D840-Q842 PolarHBondContact OD1-N 3.49Å; D840-G843 PolarHBondContact O-N 2.93Å; D840-G843 PolarHBondContact OD1-N 3.01Å; D840-N844 PolarHBondContact N-O 3.09Å; D840-N844 WeakPolarHBondContact OD1-CB 3.3Å; D840-N844 PolarHBondContact OD1-N 2.9Å; D840-N844 PolarHBondContact OD1-ND2 2.76Å; D840-N844 PolarHBondContact OD2-ND2 2.79Å; D840-Y846 HydrophobicContact CB-CE2 4.16Å
841	P	62.1	Low	48.6	Very low	132 Å²	132	123 Å²	123	86%	0.857	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.2	9.2	176.7	-22.8	35.3	0	0	0	115.9
842	Q	64.6	Low	48.9	Very low	168 Å²	168	124.5 Å²	124.5	79%	0.785	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.3	0.4	175.2	-55.8	-175.8	0.9	0	0	112.3	D840	D840-Q842 PolarHBondContact O-N 2.93Å; D840-Q842 VanDerWaalsContact OD1-C 3.31Å; D840-Q842 VanDerWaalsContact OD1-CA 3.27Å; D840-Q842 WeakPolarHBondContact OD1-CA 3.31Å; D840-Q842 WeakPolarHBondContact OD1-CB 3.38Å; D840-Q842 PolarHBondContact OD1-N 3.49Å
843	G	59.3	Low	49	Very low	43 Å²	43	125.3 Å²	125.3	44%	0.443	65%	0.649	S	S	.	*	S	Bend	trans	84.3	17.5	-178.8	0	0	0	0	0	114.3	D840	D840-G843 PolarHBondContact O-N 2.93Å; D840-G843 PolarHBondContact OD1-N 3.01Å
844	N	65.4	Low	49.3	Very low	68 Å²	68	127.9 Å²	127.9	36%	0.364	65%	0.653	S	S	.	*			trans	-87.1	118.5	173.7	-53.9	-65.7	0	0	0	109.6	E839 D840 Y846	E839-N844 WeakPolarHBondContact CA-O 3.19Å; D840-N844 PolarHBondContact N-O 3.09Å; D840-N844 WeakPolarHBondContact OD1-CB 3.3Å; D840-N844 PolarHBondContact OD1-N 2.9Å; D840-N844 PolarHBondContact OD1-ND2 2.76Å; D840-N844 PolarHBondContact OD2-ND2 2.79Å; N844-Y846 HydrophobicContact CB-CD2 4.41Å; N844-Y846 HydrophobicContact CB-CE2 3.63Å; N844-Y846 WeakPolarHBondContact O-CD2 3.39Å
845	I	67	Low	49.5	Very low	100 Å²	100	129 Å²	129	51%	0.513	66%	0.656	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.1	128.4	173	-57	174	0	0	0	109.2	E837 E839	E837-I845 HydrophobicContact CB-CG2 4Å; E837-I845 HydrophobicContact CG-CG2 4.02Å; E839-I845 HydrophobicContact CB-CG1 4.42Å; E839-I845 HydrophobicContact CG-CG1 4.17Å
846	Y	57.2	Low	49.7	Very low	143 Å²	143	133.6 Å²	133.6	56%	0.561	67%	0.667	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-114.8	132.5	173.2	-64.4	-82.5	0	0	0	110.6	Y838 D840 N844	Y838-Y846 PolarHBondContact N-O 3.22Å; Y838-Y846 VanDerWaalsContact N-O 3.12Å; Y838-Y846 PolarHBondContact O-N 3.25Å; D840-Y846 HydrophobicContact CB-CE2 4.16Å; N844-Y846 HydrophobicContact CB-CD2 4.41Å; N844-Y846 HydrophobicContact CB-CE2 3.63Å; N844-Y846 WeakPolarHBondContact O-CD2 3.39Å
847	T	52.1	Low	49.6	Very low	90 Å²	90	132.3 Å²	132.3	55%	0.552	67%	0.668	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-107.8	122.4	170.2	33.7	0	0	0	0	109.1	E837	E837-T847 HydrophobicContact CG-CG2 3.61Å
848	E	43.2	Very low	49	Very low	168 Å²	168	131.8 Å²	131.8	79%	0.785	67%	0.674	S	S	*	*			trans	-109.9	100.4	176.3	-168.6	163.5	-138.8	0	0	109.7	H850	E848-H850 PolarHBondContact O-N 3.08Å
849	N	39.1	Very low	48.2	Very low	121 Å²	121	131.6 Å²	131.6	65%	0.647	68%	0.678	S	S	*	*			trans	-76.8	115.2	174.5	-75.5	-14.2	0	0	0	109.6	D851	N849-D851 VanDerWaalsContact C-N 3.33Å; N849-D851 PolarHBondContact O-N 2.97Å
850	H	40.4	Very low	47.3	Very low	174 Å²	174	132.3 Å²	132.3	81%	0.806	69%	0.686	S	S	*	*			trans	-83.6	78.4	175.7	-132.5	-52.5	0	0	0	110.3	E848	E848-H850 PolarHBondContact O-N 3.08Å
851	D	37.5	Very low	45.7	Very low	141 Å²	141	137.4 Å²	137.4	75%	0.754	71%	0.714	S	S	*	*			trans	-65.1	140.8	173.2	-77	-44.9	0	0	0	111.1	N849 E853	N849-D851 VanDerWaalsContact C-N 3.33Å; N849-D851 PolarHBondContact O-N 2.97Å; D851-E853 PolarHBondContact O-N 3.34Å
852	N	33.2	Very low	44.7	Very low	166 Å²	166	138 Å²	138	89%	0.888	71%	0.709	S	S	*	*			trans	-88.3	106.1	-177.1	-73.6	-70.8	0	0	0	111.1
853	E	34.6	Very low	43.7	Very low	164 Å²	164	136.5 Å²	136.5	77%	0.766	71%	0.707	S	S	*	*			trans	-133.9	98.5	167.2	-167.3	177.6	172.8	0	0	110.4	D851	D851-E853 PolarHBondContact O-N 3.34Å
854	Y	35	Very low	42.7	Very low	224 Å²	224	141.6 Å²	141.6	88%	0.878	72%	0.722	S	S	*	*			trans	173	87.7	136.6	-102.7	-71.5	0	0	0	109.4
855	A	37.6	Very low	41.5	Very low	94 Å²	94	148.5 Å²	148.5	78%	0.777	77%	0.766	S	S	*	*			trans	-122.9	126.8	163.3	0	0	0	0	0	108.1
856	E	38.5	Very low	40.2	Very low	187 Å²	187	150.9 Å²	150.9	87%	0.874	78%	0.779	S	S	*	*			trans	-172.2	162.1	141.5	-109	172.6	-175.6	0	0	110.6
857	D	37.8	Very low	39.3	Very low	151 Å²	151	151.3 Å²	151.3	81%	0.807	79%	0.79	S	S	*	*			trans	59.8	127.2	176.4	-69.3	-14.5	0	0	0	120.2
858	V	39.1	Very low	38.6	Very low	115 Å²	115	154.7 Å²	154.7	70%	0.697	80%	0.804	S	S	*	*			cis	179.1	141.6	-39.5	137.6	0	0	0	0	107
859	Q	38.3	Very low	38.3	Very low	158 Å²	158	153.9 Å²	153.9	74%	0.738	81%	0.805	S	S	*	*			trans	42.1	126.1	167.7	-92.7	71.6	-36.6	0	0	121.3
860	N	38.3	Very low	38.2	Very low	135 Å²	135	156 Å²	156	72%	0.722	82%	0.815	S	S	*	*				27.6	134.5	111.2	-83.5	61.5	0	0	0	118.9
861	D	39.9	Very low	38.1	Very low	144 Å²	144	154.8 Å²	154.8	77%	0.77	82%	0.815	S	S	*	*				-160.5	171.8	51.4	-99.8	-35.5	0	0	0	113.4
862	D	40.1	Very low	38.2	Very low	143 Å²	143	155.8 Å²	155.8	77%	0.765	82%	0.82	S	S	*	*			trans	-74.7	162.8	174.8	-78.2	-59.3	0	0	0	115.1
863	N	45.3	Very low	38.5	Very low	137 Å²	137	155 Å²	155	73%	0.733	81%	0.814	S	S	*	*			trans	93.8	109.5	159	-57.3	-75.2	0	0	0	120.8
864	I	37.3	Very low	38.9	Very low	151 Å²	151	154.3 Å²	154.3	77%	0.774	82%	0.818	S	S	*	*				81.8	132.2	127.3	-66.9	170.9	0	0	0	119.6
865	V	39.4	Very low	39.2	Very low	212 Å²	212	147.9 Å²	147.9	100%	1.285	81%	0.813	S	S	*	*			trans	89.4	0	-178.7	-173.1	0	0	0	0	116.7

Retrieved 865 of 865 residues in 1325.9 ms (Link to these results)

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